A0A077YZR6_TRITR Loading...

DUF1768 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZR6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,283 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
1M31.7Very low45.2Very low245 Ų245136.5 Ų136.5100%1.20773%0.728SS**  0123.80-69.3-148.4-88.800106.3D3M1-D3 PolarHBondContact O-N 2.68Å
2A30.7Very low48.6Very low102 Ų102128.2 Ų128.284%0.84369%0.686SS**  trans-68.2123.1-17600000109.3
3D29.7Very low51.9Low108 Ų108120.1 Ų120.158%0.57864%0.644SS**  trans-101.3109.8171.6-162.7-1000107.2M1 R5M1-D3 PolarHBondContact O-N 2.68Å; D3-R5 PolarHBondContact O-N 2.71Å; D3-R5 WeakPolarHBondContact OD1-CD 3.37Å; D3-R5 WeakPolarHBondContact OD1-CG 3.4Å; D3-R5 IonicContact OD1-NE 2.72Å
4D39Very low54.7Low167 Ų167113.2 Ų113.289%0.89361%0.609SS**SBendtrans-67.129.3179-83.1-31.9000113
5R35.7Very low57.2Low212 Ų212105.7 Ų105.780%0.857%0.569SS**  trans-102.613.4-178.6-68.8179.9176.6-166.7-1.5113.5D3 S7D3-R5 PolarHBondContact O-N 2.71Å; D3-R5 WeakPolarHBondContact OD1-CD 3.37Å; D3-R5 WeakPolarHBondContact OD1-CG 3.4Å; D3-R5 IonicContact OD1-NE 2.72Å; R5-S7 PolarHBondContact O-N 3.38Å
6L32.3Very low59.3Low158 Ų158102 Ų10283%0.82755%0.552SS**  trans-71.292.1173.7-81.6159.3000111.3
7S36.9Very low60.9Low86 Ų8697.4 Ų97.460%0.60153%0.529SS*.  trans47.296.4149.767.30000118.5R5 T9R5-S7 PolarHBondContact O-N 3.38Å; S7-T9 PolarHBondContact O-N 2.95Å; S7-T9 VanDerWaalsContact O-N 3.1Å
8E53Low62.3Low161 Ų16194.4 Ų94.475%0.75252%0.52SS*.  trans-64104.3144.9-83.4-170.9156.700107.5V10E8-V10 PolarHBondContact O-N 3.34Å; E8-V10 VanDerWaalsContact O-N 3.08Å
9T59.3Low63.5Low118 Ų11893.6 Ų93.672%0.72453%0.527SS*.  trans-63.2109.817316.80000109.1S7 I11S7-T9 PolarHBondContact O-N 2.95Å; S7-T9 VanDerWaalsContact O-N 3.1Å; T9-I11 PolarHBondContact O-N 3.22Å; T9-I11 VanDerWaalsContact O-N 3.16Å
10V68.7Low64.8Low49 Ų4991.2 Ų91.230%0.29751%0.511SS..  trans-71.2106.9174.8-178.40000108.4E8 V12 I132 K165 L168E8-V10 PolarHBondContact O-N 3.34Å; E8-V10 VanDerWaalsContact O-N 3.08Å; V10-V12 HydrophobicContact CG1-CG2 4.15Å; V10-I132 HydrophobicContact CG1-CD1 3.52Å; V10-I132 HydrophobicContact CG1-CG1 4.42Å; V10-K165 HydrophobicContact CG2-CB 4.16Å; V10-L168 HydrophobicContact CG1-CD2 4.24Å
11I80.5Confident66.1Low95 Ų9588.9 Ų88.949%0.48750%0.5SS..  trans-92.3120174-56.4175.9000108.1T9 N131 I132T9-I11 PolarHBondContact O-N 3.22Å; T9-I11 VanDerWaalsContact O-N 3.16Å; I11-N131 HydrophobicContact CG2-CB 4.37Å; I11-N131 WeakPolarHBondContact CG2-OD1 3.15Å; I11-N131 CarbonylContact O-C 3.02Å; I11-N131 VanDerWaalsContact O-CA 3.27Å; I11-N131 WeakPolarHBondContact O-CA 3.29Å; I11-I132 PolarHBondContact O-N 3.21Å
12V85.7Confident69.1Low37 Ų3777.3 Ų77.322%0.22444%0.443CS..EExtended strand (participates in β ladder)trans-104.3136.3175.9175.90000109.1V10 I132 I134 L151 F155 L168V10-V12 HydrophobicContact CG1-CG2 4.15Å; V12-I132 CarbonylContact C-O 3.49Å; V12-I132 WeakPolarHBondContact CA-O 3.43Å; V12-I132 HydrophobicContact CG2-CB 4.44Å; V12-I134 HydrophobicContact CG1-CB 4.45Å; V12-I134 HydrophobicContact CG1-CD1 3.58Å; V12-I134 HydrophobicContact CG1-CG1 4.02Å; V12-I134 HydrophobicContact CG2-CD1 4.42Å; V12-L151 HydrophobicContact CG1-CD2 4.06Å; V12-F155 HydrophobicContact CG2-CE2 4.01Å; V12-F155 HydrophobicContact CG2-CZ 4.25Å; V12-L168 HydrophobicContact CG2-CD2 4.17Å
13T90.9Very high72.1Confident23 Ų2372.7 Ų72.714%0.14140%0.404CS..EExtended strand (participates in β ladder)trans-112.7106169.1-56.90000108.4L128 N131 I132 L133 I134T13-L128 HydrophobicContact CG2-CD1 4.25Å; T13-L128 HydrophobicContact CG2-CD2 4.07Å; T13-N131 WeakPolarHBondContact OG1-CB 3.09Å; T13-N131 PolarHBondContact OG1-ND2 3.39Å; T13-I132 PolarHBondContact N-O 3Å; T13-L133 HydrophobicContact CG2-CD2 4.37Å; T13-I134 PolarHBondContact O-N 3.04Å; T13-I134 VanDerWaalsContact O-N 3.08Å
14P91Very high75Confident24 Ų2467.8 Ų67.816%0.15638%0.379CS..EExtended strand (participates in β ladder)trans-68.6135.9172.528.9-31.5000109.4P16 I134 V136 E148P14-P16 WeakPolarHBondContact O-CD 3.17Å; P14-I134 CarbonylContact C-O 3.38Å; P14-I134 WeakPolarHBondContact CA-O 3.28Å; P14-V136 HydrophobicContact CB-CG1 3.69Å; P14-V136 HydrophobicContact CB-CG2 4.02Å; P14-E148 HydrophobicContact CB-CB 4.21Å; P14-E148 HydrophobicContact CB-CG 4.15Å; P14-E148 HydrophobicContact CG-CB 4.23Å; P14-E148 HydrophobicContact CG-CG 3.67Å
15I93.4Very high77.6Confident0 Ų060.2 Ų60.20%034%0.337CS..EExtended strand (participates in β ladder)trans-108.4102.2175.6-63.3169.7000106.3C17 H20 L22 L133 I134 E135 V136 L195I15-C17 PolarHBondContact O-N 3.34Å; I15-H20 HydrophobicContact CG2-CB 3.81Å; I15-L22 HydrophobicContact CD1-CB 3.82Å; I15-L22 HydrophobicContact CD1-CD1 4.16Å; I15-L22 HydrophobicContact CG1-CB 4.28Å; I15-L22 HydrophobicContact CG1-CD1 4.49Å; I15-L22 HydrophobicContact CG2-CB 4.05Å; I15-L133 HydrophobicContact CD1-CB 3.96Å; I15-I134 PolarHBondContact N-O 3Å; I15-E135 HydrophobicContact CB-CB 4.41Å; I15-E135 HydrophobicContact CB-CG 4.37Å; I15-E135 HydrophobicContact CG2-CG 4.21Å; I15-E135 WeakPolarHBondContact O-CA 3.29Å; I15-E135 WeakPolarHBondContact O-CG 3.01Å; I15-V136 PolarHBondContact O-N 3.34Å; I15-L195 HydrophobicContact CD1-CD1 3.8Å
16P90.6Very high80.2Confident47 Ų4753.9 Ų53.931%0.30531%0.314SS..EExtended strand (participates in β ladder)trans-59.2126.3175.9-26.633.9000112.2P14 A18 A19 H20P14-P16 WeakPolarHBondContact O-CD 3.17Å; P16-A18 PolarHBondContact O-N 2.89Å; P16-A19 HydrophobicContact CB-CB 4.36Å; P16-A19 PolarHBondContact O-N 2.92Å; P16-H20 WeakPolarHBondContact O-CB 3.38Å; P16-H20 PolarHBondContact O-N 3.01Å
17C86.9Confident83Confident24 Ų2450.3 Ų50.316%0.16229%0.293CS..THydrogen-bonded Turntrans-52132.8176.2-178.60000112.1I15 A19 F25 V136 N137I15-C17 PolarHBondContact O-N 3.34Å; C17-A19 PolarHBondContact O-N 3.43Å; C17-F25 WeakPolarHBondContact SG-CD2 3.46Å; C17-V136 VanDerWaalsContact CB-O 3.31Å; C17-V136 WeakPolarHBondContact CB-O 3.2Å; C17-V136 PolarHBondContact N-O 2.94Å; C17-N137 HydrophobicContact CB-CB 4.15Å; C17-N137 WeakPolarHBondContact CB-O 3.32Å; C17-N137 PolarHBondContact SG-O 3.42Å; C17-N137 VanDerWaalsContact SG-O 3.34Å
18A85.9Confident85.4Confident44 Ų4449.2 Ų49.236%0.36428%0.276SS..THydrogen-bonded Turntrans62.5-27.8-179.300000117.1P16 S23 F25 L69P16-A18 PolarHBondContact O-N 2.89Å; A18-S23 PolarHBondContact N-OG 3.49Å; A18-F25 HydrophobicContact CB-CB 3.96Å; A18-L69 HydrophobicContact CB-CD1 4.47Å
19A84.5Confident87Confident79 Ų7946.3 Ų46.365%0.65327%0.266SS*.THydrogen-bonded Turntrans-86-26.1-175.500000113.6P16 C17P16-A19 HydrophobicContact CB-CB 4.36Å; P16-A19 PolarHBondContact O-N 2.92Å; C17-A19 PolarHBondContact O-N 3.43Å
20H90.2Very high88.1Confident45 Ų4540.7 Ų40.721%0.20823%0.232CC..SBendtrans-97.5137.8-174.1-164.2-88.7000111.7I15 P16 L22 S23 Y26I15-H20 HydrophobicContact CG2-CB 3.81Å; P16-H20 WeakPolarHBondContact O-CB 3.38Å; P16-H20 PolarHBondContact O-N 3.01Å; H20-L22 WeakPolarHBondContact ND1-CB 3.49Å; H20-L22 PolarHBondContact ND1-N 3.32Å; H20-L22 PolarHBondContact O-N 2.88Å; H20-S23 VanDerWaalsContact O-CB 3.24Å; H20-S23 WeakPolarHBondContact O-CB 3.25Å; H20-S23 PolarHBondContact O-N 3.08Å; H20-Y26 WeakPolarHBondContact O-CB 3.37Å
21P92.1Very high88.9Confident43 Ų4342 Ų4228%0.27924%0.237SC..THydrogen-bonded Turntrans-58.3-18.4179.8-26.934.9000115.7Y26 R114 L124P21-Y26 HydrophobicContact CB-CE1 4.32Å; P21-Y26 HydrophobicContact CG-CE2 4.39Å; P21-R114 PolarHBondContact O-NH1 3.28Å; P21-R114 PolarHBondContact O-NH2 3.4Å; P21-L124 HydrophobicContact CB-CD2 4.08Å; P21-L124 HydrophobicContact CG-CD2 4.32Å
22L93.5Very high88.9Confident2 Ų238.5 Ų38.51%0.0122%0.22CC..THydrogen-bonded Turntrans-89.8-6.3175-56.5-179.3000113.9I15 H20 F121 L124 L128 N191 L195I15-L22 HydrophobicContact CD1-CB 3.82Å; I15-L22 HydrophobicContact CD1-CD1 4.16Å; I15-L22 HydrophobicContact CG1-CB 4.28Å; I15-L22 HydrophobicContact CG1-CD1 4.49Å; I15-L22 HydrophobicContact CG2-CB 4.05Å; H20-L22 WeakPolarHBondContact ND1-CB 3.49Å; H20-L22 PolarHBondContact ND1-N 3.32Å; H20-L22 PolarHBondContact O-N 2.88Å; L22-F121 HydrophobicContact CD2-CD2 3.65Å; L22-F121 HydrophobicContact CD2-CE2 3.41Å; L22-F121 VanDerWaalsContact CD2-CE2 3.41Å; L22-F121 HydrophobicContact CD2-CZ 4.23Å; L22-L124 HydrophobicContact CD1-CD2 4.36Å; L22-L124 HydrophobicContact CD1-CG 4.41Å; L22-L124 HydrophobicContact CD2-CD2 4.05Å; L22-L124 HydrophobicContact CD2-CG 4.37Å; L22-L124 HydrophobicContact CG-CD2 3.88Å; L22-L124 HydrophobicContact CG-CG 4.38Å; L22-L128 HydrophobicContact CD1-CD1 3.6Å; L22-N191 PolarHBondContact O-ND2 2.86Å; L22-L195 HydrophobicContact CB-CD1 3.91Å
23S93.5Very high88.5Confident4 Ų444.3 Ų44.33%0.02825%0.245CC..SBendtrans-71.4143.8176.4172.10000110.4A18 H20 F25 Y26 E135A18-S23 PolarHBondContact N-OG 3.49Å; H20-S23 VanDerWaalsContact O-CB 3.24Å; H20-S23 WeakPolarHBondContact O-CB 3.25Å; H20-S23 PolarHBondContact O-N 3.08Å; S23-F25 PolarHBondContact O-N 2.88Å; S23-F25 PolarHBondContact OG-N 3.44Å; S23-F25 VanDerWaalsContact OG-N 3.13Å; S23-Y26 WeakPolarHBondContact O-CB 3.11Å; S23-Y26 PolarHBondContact O-N 3.47Å; S23-E135 WeakPolarHBondContact CA-OE1 3.36Å; S23-E135 VanDerWaalsContact CB-OE1 3.23Å; S23-E135 WeakPolarHBondContact CB-OE1 3.44Å; S23-E135 PolarHBondContact OG-OE1 3.23Å
24V92Very high88.1Confident6 Ų651.2 Ų51.24%0.03628%0.281CS..THydrogen-bonded Turntrans-66.4-21.3173-61.30000112.7F40 L107 E135 F142 N191V24-F40 HydrophobicContact CB-CD1 3.88Å; V24-F40 HydrophobicContact CB-CE1 4.48Å; V24-F40 HydrophobicContact CG1-CD1 4.28Å; V24-L107 HydrophobicContact CG1-CD1 3.86Å; V24-L107 HydrophobicContact CG1-CD2 4.01Å; V24-E135 PolarHBondContact N-OE1 3.47Å; V24-F142 HydrophobicContact CB-CD1 4.39Å; V24-F142 HydrophobicContact CG1-CD1 3.85Å; V24-F142 HydrophobicContact CG1-CE1 4.32Å; V24-F142 HydrophobicContact CG1-CG 4.3Å; V24-F142 HydrophobicContact CG2-CB 3.91Å; V24-F142 HydrophobicContact CG2-CD1 4.04Å; V24-F142 HydrophobicContact CG2-CD2 3.88Å; V24-F142 HydrophobicContact CG2-CE2 4.43Å; V24-F142 HydrophobicContact CG2-CG 3.68Å; V24-N191 HydrophobicContact CG1-CB 3.65Å; V24-N191 VanDerWaalsContact CG1-CG 3.44Å
25F92.3Very high87.8Confident7 Ų753.4 Ų53.43%0.03129%0.293CS..THydrogen-bonded Turntrans-91.8-0.1179.1-55.5-75.3000113.2C17 A18 S23 E27 I41 P68 L69 Y72 A138 F142C17-F25 WeakPolarHBondContact SG-CD2 3.46Å; A18-F25 HydrophobicContact CB-CB 3.96Å; S23-F25 PolarHBondContact O-N 2.88Å; S23-F25 PolarHBondContact OG-N 3.44Å; S23-F25 VanDerWaalsContact OG-N 3.13Å; F25-E27 PolarHBondContact O-N 3.08Å; F25-I41 HydrophobicContact CD1-CD1 4.1Å; F25-I41 HydrophobicContact CD1-CG1 3.91Å; F25-I41 HydrophobicContact CE1-CD1 3.86Å; F25-I41 HydrophobicContact CE1-CG1 4.14Å; F25-P68 HydrophobicContact CB-CB 4.45Å; F25-P68 WeakPolarHBondContact O-CB 3.22Å; F25-L69 HydrophobicContact CB-CD1 4.32Å; F25-L69 HydrophobicContact CD1-CD1 4.17Å; F25-L69 HydrophobicContact CD2-CD1 4.5Å; F25-L69 HydrophobicContact CG-CD1 4.07Å; F25-Y72 HydrophobicContact CE1-CD1 4.21Å; F25-Y72 HydrophobicContact CE1-CD2 4.08Å; F25-Y72 AromaticContact CE1-CG 3.73Å; F25-Y72 HydrophobicContact CE1-CG 3.73Å; F25-Y72 HydrophobicContact CZ-CD1 4.43Å; F25-Y72 HydrophobicContact CZ-CD2 4.37Å; F25-Y72 HydrophobicContact CZ-CG 4.23Å; F25-A138 HydrophobicContact CE2-CB 4.17Å; F25-F142 HydrophobicContact CE2-CD2 4.5Å; F25-F142 HydrophobicContact CZ-CD2 4.02Å
26Y91.9Very high87.6Confident79 Ų7958.3 Ų58.331%0.3132%0.319SS..  trans-67.8129.2176.9-173.4-104.3000110.8H20 P21 S23 Y28H20-Y26 WeakPolarHBondContact O-CB 3.37Å; P21-Y26 HydrophobicContact CB-CE1 4.32Å; P21-Y26 HydrophobicContact CG-CE2 4.39Å; S23-Y26 WeakPolarHBondContact O-CB 3.11Å; S23-Y26 PolarHBondContact O-N 3.47Å; Y26-Y28 PolarHBondContact O-N 3.45Å
27E90.8Very high87.6Confident83 Ų8356.8 Ų56.839%0.38831%0.308SS..  trans-74.5112.1174.9-72.3-169-172.100110.2F25 R38 P68F25-E27 PolarHBondContact O-N 3.08Å; E27-R38 VanDerWaalsContact CD-NE 3.28Å; E27-R38 IonicContact OE1-CZ 2.83Å; E27-R38 VanDerWaalsContact OE1-CZ 3.31Å; E27-R38 IonicContact OE1-NE 3.37Å; E27-R38 PolarHBondContact OE1-NE 3.48Å; E27-R38 IonicContact OE1-NH2 3.83Å; E27-R38 PolarHBondContact OE1-NH2 3.26Å; E27-R38 IonicContact OE2-CZ 3.31Å; E27-R38 VanDerWaalsContact OE2-CZ 3.25Å; E27-R38 IonicContact OE2-NE 3.41Å; E27-R38 PolarHBondContact OE2-NE 3.24Å; E27-R38 IonicContact OE2-NH2 2.93Å; E27-R38 PolarHBondContact OE2-NH2 3.41Å; E27-P68 HydrophobicContact CG-CG 3.41Å; E27-P68 VanDerWaalsContact CG-CG 3.41Å; E27-P68 WeakPolarHBondContact OE1-CD 3.27Å
28Y86Confident87.8Confident63 Ų6360.6 Ų60.625%0.24732%0.318CS..  trans-144.3121.4173.8180-96.9000108.9Y26 F30 R38 R114 D118Y26-Y28 PolarHBondContact O-N 3.45Å; Y28-F30 HydrophobicContact CD1-CB 4.21Å; Y28-F30 HydrophobicContact CE1-CB 4.49Å; Y28-F30 PolarHBondContact O-N 3.33Å; Y28-R38 CarbonylContact C-O 3.16Å; Y28-R38 VanDerWaalsContact C-O 3.32Å; Y28-R38 PolarHBondContact N-O 3.01Å; Y28-R38 CarbonylContact O-C 3.52Å; Y28-R38 VanDerWaalsContact O-O 3.05Å; Y28-R114 HydrophobicContact CD1-CG 4.48Å; Y28-R114 HydrophobicContact CE1-CG 4.29Å; Y28-D118 HydrophobicContact CE1-CB 4.2Å; Y28-D118 HydrophobicContact CE2-CB 4.47Å; Y28-D118 WeakPolarHBondContact CE2-OD2 3.29Å; Y28-D118 WeakPolarHBondContact OH-CB 3.05Å
29N87Confident88.1Confident100 Ų10058.5 Ų58.554%0.53530%0.301SS..  trans-69118.5178.4-72.8-31.1000109.9L36 Y37N29-L36 HydrophobicContact CB-CD1 3.98Å; N29-L36 HydrophobicContact CB-CG 4.36Å; N29-Y37 CarbonylContact C-O 3.51Å; N29-Y37 WeakPolarHBondContact CA-O 3.49Å
30F83.5Confident88.5Confident1 Ų154.9 Ų54.90%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-128.6129.1-171.4168.7-111.9000110.2Y28 V32 Y37 F110 S113 R114Y28-F30 HydrophobicContact CD1-CB 4.21Å; Y28-F30 HydrophobicContact CE1-CB 4.49Å; Y28-F30 PolarHBondContact O-N 3.33Å; F30-V32 HydrophobicContact CD1-CG2 3.59Å; F30-V32 HydrophobicContact CE1-CB 4.39Å; F30-V32 HydrophobicContact CE1-CG2 2.9Å; F30-V32 HydrophobicContact CE2-CG2 4.38Å; F30-V32 HydrophobicContact CZ-CG2 3.35Å; F30-Y37 PolarHBondContact N-O 2.91Å; F30-Y37 PolarHBondContact O-N 3.24Å; F30-F110 HydrophobicContact CB-CE2 3.88Å; F30-F110 HydrophobicContact CB-CZ 4.29Å; F30-F110 AromaticContact CD1-CD2 3.39Å; F30-F110 HydrophobicContact CD1-CD2 3.39Å; F30-F110 AromaticContact CD1-CE2 3.19Å; F30-F110 HydrophobicContact CD1-CE2 3.19Å; F30-F110 HydrophobicContact CD1-CZ 4.23Å; F30-F110 HydrophobicContact CD2-CE2 4.45Å; F30-F110 AromaticContact CE1-CD2 3.32Å; F30-F110 HydrophobicContact CE1-CD2 3.32Å; F30-F110 AromaticContact CE1-CE2 3.66Å; F30-F110 HydrophobicContact CE1-CE2 3.66Å; F30-F110 HydrophobicContact CE1-CG 4.22Å; F30-F110 HydrophobicContact CG-CD2 4.16Å; F30-F110 AromaticContact CG-CE2 3.61Å; F30-F110 HydrophobicContact CG-CE2 3.61Å; F30-F110 HydrophobicContact CG-CZ 4.24Å; F30-F110 HydrophobicContact CZ-CD2 4.15Å; F30-S113 WeakPolarHBondContact CE2-OG 3.36Å; F30-S113 VanDerWaalsContact CZ-CB 3.42Å; F30-S113 VanDerWaalsContact CZ-OG 3.23Å; F30-S113 WeakPolarHBondContact CZ-OG 3.3Å; F30-R114 HydrophobicContact CD2-CB 4.42Å; F30-R114 HydrophobicContact CE2-CB 4.36Å
31N85.8Confident88.7Confident75 Ų7552.8 Ų52.840%0.40126%0.261SS..EExtended strand (participates in β ladder)trans-96.4125.6-179.5-82.9-37.3000110.9V35 L36 Q117N31-V35 WeakPolarHBondContact CA-O 3.42Å; N31-L36 WeakPolarHBondContact OD1-CA 3.09Å; N31-L36 WeakPolarHBondContact OD1-CB 3.02Å; N31-L36 WeakPolarHBondContact OD1-CD1 3.49Å; N31-Q117 PolarHBondContact O-NE2 3.14Å
32V80Confident88.8Confident23 Ų2350.9 Ų50.914%0.13925%0.248CC..EExtended strand (participates in β ladder)trans-126.6124167.1-174.60000107.9F30 D34 V35 Y37 F43F30-V32 HydrophobicContact CD1-CG2 3.59Å; F30-V32 HydrophobicContact CE1-CB 4.39Å; F30-V32 HydrophobicContact CE1-CG2 2.9Å; F30-V32 HydrophobicContact CE2-CG2 4.38Å; F30-V32 HydrophobicContact CZ-CG2 3.35Å; V32-D34 PolarHBondContact O-N 2.89Å; V32-V35 PolarHBondContact N-O 3.23Å; V32-V35 PolarHBondContact O-N 2.84Å; V32-Y37 HydrophobicContact CB-CE2 4.17Å; V32-Y37 HydrophobicContact CG2-CD2 4.43Å; V32-Y37 HydrophobicContact CG2-CE2 4.48Å; V32-F43 HydrophobicContact CB-CE2 4.25Å; V32-F43 HydrophobicContact CG1-CE2 4.17Å; V32-F43 HydrophobicContact CG2-CD2 4.1Å; V32-F43 HydrophobicContact CG2-CE2 3.84Å
33E77.4Confident88.8Confident159 Ų15951 Ų5174%0.74325%0.249SC*.THydrogen-bonded Turntrans50.544.8175.5-63174.1172.500112.4V35 R47E33-V35 PolarHBondContact O-N 3.29Å; E33-V35 VanDerWaalsContact O-N 3.17Å; E33-R47 IonicContact OE2-NH2 3.22Å
34D81.4Confident88.8Confident168 Ų16850.9 Ų50.990%0.89825%0.248SC*.THydrogen-bonded Turntrans63.410.8-177.3-57.7-41.4000116V32V32-D34 PolarHBondContact O-N 2.89Å
35V85.2Confident88.9Confident69 Ų6950.6 Ų50.642%0.41825%0.246SC..EExtended strand (participates in β ladder)trans-101.8124.4170.8-1740000110.1N31 V32 E33 Y37N31-V35 WeakPolarHBondContact CA-O 3.42Å; V32-V35 PolarHBondContact N-O 3.23Å; V32-V35 PolarHBondContact O-N 2.84Å; E33-V35 PolarHBondContact O-N 3.29Å; E33-V35 VanDerWaalsContact O-N 3.17Å; V35-Y37 HydrophobicContact CB-CE2 3.81Å; V35-Y37 HydrophobicContact CG1-CD2 4.33Å; V35-Y37 HydrophobicContact CG1-CE1 4.06Å; V35-Y37 HydrophobicContact CG1-CE2 3.69Å; V35-Y37 WeakPolarHBondContact O-CD2 3.48Å
36L89.4Confident88.9Confident103 Ų10353.7 Ų53.754%0.53926%0.26SS..EExtended strand (participates in β ladder)trans-88.1118.2178.4-16975.9000110.4N29 N31N29-L36 HydrophobicContact CB-CD1 3.98Å; N29-L36 HydrophobicContact CB-CG 4.36Å; N31-L36 WeakPolarHBondContact OD1-CA 3.09Å; N31-L36 WeakPolarHBondContact OD1-CB 3.02Å; N31-L36 WeakPolarHBondContact OD1-CD1 3.49Å
37Y91Very high88.9Confident16 Ų1653.4 Ų53.46%0.06326%0.259CS..EExtended strand (participates in β ladder)trans-106.7140.5173.6-61.5-83000110.7N29 F30 V32 V35 F43 H46N29-Y37 CarbonylContact C-O 3.51Å; N29-Y37 WeakPolarHBondContact CA-O 3.49Å; F30-Y37 PolarHBondContact N-O 2.91Å; F30-Y37 PolarHBondContact O-N 3.24Å; V32-Y37 HydrophobicContact CB-CE2 4.17Å; V32-Y37 HydrophobicContact CG2-CD2 4.43Å; V32-Y37 HydrophobicContact CG2-CE2 4.48Å; V35-Y37 HydrophobicContact CB-CE2 3.81Å; V35-Y37 HydrophobicContact CG1-CD2 4.33Å; V35-Y37 HydrophobicContact CG1-CE1 4.06Å; V35-Y37 HydrophobicContact CG1-CE2 3.69Å; V35-Y37 WeakPolarHBondContact O-CD2 3.48Å; Y37-F43 HydrophobicContact CD1-CB 4.25Å; Y37-F43 HydrophobicContact CD2-CB 4.33Å; Y37-F43 AromaticContact CD2-CD2 3.89Å; Y37-F43 HydrophobicContact CD2-CD2 3.89Å; Y37-F43 AromaticContact CE2-CD2 3.77Å; Y37-F43 HydrophobicContact CE2-CD2 3.77Å; Y37-F43 HydrophobicContact CE2-CE2 4.45Å; Y37-F43 HydrophobicContact CG-CB 3.99Å; Y37-F43 HydrophobicContact CG-CD2 4.35Å; Y37-H46 HydrophobicContact CE1-CB 3.72Å; Y37-H46 AromaticContact CE1-CG 3.84Å; Y37-H46 PolarHBondContact OH-CE1 3.37Å; Y37-H46 PolarHBondContact OH-ND1 3.21Å; Y37-H46 VanDerWaalsContact OH-ND1 3.09Å
38R90.2Very high89Confident104 Ų10449.5 Ų49.539%0.39224%0.24SC..SBendtrans-75.8-24.9-176.4-173.5176.9177.7-172-0.8114.3E27 Y28E27-R38 VanDerWaalsContact CD-NE 3.28Å; E27-R38 IonicContact OE1-CZ 2.83Å; E27-R38 VanDerWaalsContact OE1-CZ 3.31Å; E27-R38 IonicContact OE1-NE 3.37Å; E27-R38 PolarHBondContact OE1-NE 3.48Å; E27-R38 IonicContact OE1-NH2 3.83Å; E27-R38 PolarHBondContact OE1-NH2 3.26Å; E27-R38 IonicContact OE2-CZ 3.31Å; E27-R38 VanDerWaalsContact OE2-CZ 3.25Å; E27-R38 IonicContact OE2-NE 3.41Å; E27-R38 PolarHBondContact OE2-NE 3.24Å; E27-R38 IonicContact OE2-NH2 2.93Å; E27-R38 PolarHBondContact OE2-NH2 3.41Å; Y28-R38 CarbonylContact C-O 3.16Å; Y28-R38 VanDerWaalsContact C-O 3.32Å; Y28-R38 PolarHBondContact N-O 3.01Å; Y28-R38 CarbonylContact O-C 3.52Å; Y28-R38 VanDerWaalsContact O-O 3.05Å
39S91.9Very high89.3Confident0 Ų046.8 Ų46.80%023%0.23CC..SBendtrans-162.9174175.772.10000110.8I41 H42 F43 P68S39-I41 VanDerWaalsContact C-N 3.29Å; S39-I41 PolarHBondContact O-N 3Å; S39-I41 PolarHBondContact OG-N 3.29Å; S39-H42 PolarHBondContact O-N 3.06Å; S39-H42 PolarHBondContact OG-ND1 2.72Å; S39-F43 PolarHBondContact O-N 2.75Å; S39-P68 WeakPolarHBondContact OG-CG 3.24Å
40F93.3Very high89.5Confident3 Ų346.4 Ų46.41%0.01323%0.232CC..Hα-helixtrans-54.5-43.6172.1168.3-107.4000112.3V24 H42 F43 Y44 I106 L107 F110 F142V24-F40 HydrophobicContact CB-CD1 3.88Å; V24-F40 HydrophobicContact CB-CE1 4.48Å; V24-F40 HydrophobicContact CG1-CD1 4.28Å; F40-H42 VanDerWaalsContact C-N 3.27Å; F40-H42 PolarHBondContact O-N 3.06Å; F40-F43 HydrophobicContact CD2-CD1 4.49Å; F40-F43 WeakPolarHBondContact O-CB 3.45Å; F40-F43 PolarHBondContact O-N 3.15Å; F40-F43 VanDerWaalsContact O-N 3.12Å; F40-Y44 HydrophobicContact CZ-CD2 4.08Å; F40-Y44 HydrophobicContact CZ-CG 4.23Å; F40-Y44 WeakPolarHBondContact O-CB 3.44Å; F40-Y44 PolarHBondContact O-N 3.13Å; F40-I106 HydrophobicContact CE2-CG2 4.1Å; F40-L107 HydrophobicContact CD1-CD1 3.95Å; F40-L107 HydrophobicContact CD2-CD1 3.74Å; F40-L107 HydrophobicContact CE1-CB 4.45Å; F40-L107 HydrophobicContact CE1-CD1 3.87Å; F40-L107 HydrophobicContact CE2-CB 3.8Å; F40-L107 HydrophobicContact CE2-CD1 3.67Å; F40-L107 HydrophobicContact CE2-CG 4.35Å; F40-L107 HydrophobicContact CG-CD1 3.87Å; F40-L107 HydrophobicContact CZ-CB 3.65Å; F40-L107 HydrophobicContact CZ-CD1 3.73Å; F40-L107 HydrophobicContact CZ-CG 4.21Å; F40-F110 HydrophobicContact CB-CD1 3.88Å; F40-F110 HydrophobicContact CB-CD2 4.24Å; F40-F110 HydrophobicContact CB-CE1 3.73Å; F40-F110 HydrophobicContact CB-CE2 4.08Å; F40-F110 HydrophobicContact CB-CG 4.16Å; F40-F110 HydrophobicContact CB-CZ 3.84Å; F40-F110 HydrophobicContact CD2-CB 3.67Å; F40-F110 AromaticContact CD2-CD1 3.85Å; F40-F110 HydrophobicContact CD2-CD1 3.85Å; F40-F110 HydrophobicContact CD2-CD2 4.07Å; F40-F110 AromaticContact CD2-CG 3.59Å; F40-F110 HydrophobicContact CD2-CG 3.59Å; F40-F110 HydrophobicContact CE2-CB 4.15Å; F40-F110 HydrophobicContact CG-CD1 4.23Å; F40-F110 HydrophobicContact CG-CG 4.33Å; F40-F142 AromaticContact CE1-CE1 3.67Å; F40-F142 HydrophobicContact CE1-CE1 3.67Å; F40-F142 AromaticContact CE1-CZ 3.66Å; F40-F142 HydrophobicContact CE1-CZ 3.66Å; F40-F142 HydrophobicContact CZ-CE1 4.31Å; F40-F142 HydrophobicContact CZ-CZ 4.44Å
41I94Very high89.8Confident0 Ų047.2 Ų47.20%024%0.236CC..Hα-helixtrans-59.4-37.9-178.1-57.5-60.1000111.9F25 S39 Y44 A45 P68 A71 Y72 I75 F142F25-I41 HydrophobicContact CD1-CD1 4.1Å; F25-I41 HydrophobicContact CD1-CG1 3.91Å; F25-I41 HydrophobicContact CE1-CD1 3.86Å; F25-I41 HydrophobicContact CE1-CG1 4.14Å; S39-I41 VanDerWaalsContact C-N 3.29Å; S39-I41 PolarHBondContact O-N 3Å; S39-I41 PolarHBondContact OG-N 3.29Å; I41-Y44 PolarHBondContact O-N 3.5Å; I41-A45 WeakPolarHBondContact O-CB 3.35Å; I41-A45 PolarHBondContact O-N 2.8Å; I41-P68 HydrophobicContact CB-CB 4.46Å; I41-P68 HydrophobicContact CG1-CB 4.27Å; I41-A71 HydrophobicContact CG2-CB 3.8Å; I41-Y72 HydrophobicContact CD1-CD2 4.19Å; I41-I75 HydrophobicContact CG2-CD1 3.77Å; I41-F142 HydrophobicContact CD1-CE2 4.26Å
42H94.2Very high89.9Confident4 Ų443.7 Ų43.72%0.01922%0.217CC..Hα-helixtrans-70.8-39.2177.3-60.794.4000112.2S39 F40 H46 F64 A66S39-H42 PolarHBondContact O-N 3.06Å; S39-H42 PolarHBondContact OG-ND1 2.72Å; F40-H42 VanDerWaalsContact C-N 3.27Å; F40-H42 PolarHBondContact O-N 3.06Å; H42-H46 PolarHBondContact O-N 2.61Å; H42-H46 VanDerWaalsContact O-N 3.12Å; H42-F64 HydrophobicContact CB-CD1 4.47Å; H42-F64 WeakPolarHBondContact O-CE1 3.23Å; H42-A66 PolarHBondContact NE2-O 2.95Å
43F93.9Very high90.3Very high5 Ų545 Ų452%0.02224%0.235CC..Hα-helixtrans-63.8-44.8173.1172.6-106.7000111.5V32 Y37 S39 F40 H46 R47 I106 F110V32-F43 HydrophobicContact CB-CE2 4.25Å; V32-F43 HydrophobicContact CG1-CE2 4.17Å; V32-F43 HydrophobicContact CG2-CD2 4.1Å; V32-F43 HydrophobicContact CG2-CE2 3.84Å; Y37-F43 HydrophobicContact CD1-CB 4.25Å; Y37-F43 HydrophobicContact CD2-CB 4.33Å; Y37-F43 AromaticContact CD2-CD2 3.89Å; Y37-F43 HydrophobicContact CD2-CD2 3.89Å; Y37-F43 AromaticContact CE2-CD2 3.77Å; Y37-F43 HydrophobicContact CE2-CD2 3.77Å; Y37-F43 HydrophobicContact CE2-CE2 4.45Å; Y37-F43 HydrophobicContact CG-CB 3.99Å; Y37-F43 HydrophobicContact CG-CD2 4.35Å; S39-F43 PolarHBondContact O-N 2.75Å; F40-F43 HydrophobicContact CD2-CD1 4.49Å; F40-F43 WeakPolarHBondContact O-CB 3.45Å; F40-F43 PolarHBondContact O-N 3.15Å; F40-F43 VanDerWaalsContact O-N 3.12Å; F43-H46 PolarHBondContact O-N 3.03Å; F43-R47 HydrophobicContact CD2-CG 4.43Å; F43-R47 HydrophobicContact CE1-CG 4.26Å; F43-R47 HydrophobicContact CE2-CG 3.95Å; F43-R47 HydrophobicContact CZ-CG 3.85Å; F43-R47 PolarHBondContact O-N 2.98Å; F43-I106 HydrophobicContact CD1-CG2 3.97Å; F43-I106 HydrophobicContact CE1-CG2 3.66Å; F43-F110 HydrophobicContact CB-CD2 4.25Å; F43-F110 HydrophobicContact CD1-CB 4.02Å; F43-F110 AromaticContact CD1-CD2 3.92Å; F43-F110 HydrophobicContact CD1-CD2 3.92Å; F43-F110 HydrophobicContact CD1-CG 4.41Å; F43-F110 HydrophobicContact CE1-CB 4.09Å; F43-F110 HydrophobicContact CG-CD2 4.21Å
44Y93.7Very high91Very high0 Ų038.2 Ų38.20%020%0.203CC..Hα-helixtrans-59.3-47.1176177.4-102.5000111.6F40 I41 H46 R47 L48 I75 F76 L99 Y102 T103 I106F40-Y44 HydrophobicContact CZ-CD2 4.08Å; F40-Y44 HydrophobicContact CZ-CG 4.23Å; F40-Y44 WeakPolarHBondContact O-CB 3.44Å; F40-Y44 PolarHBondContact O-N 3.13Å; I41-Y44 PolarHBondContact O-N 3.5Å; Y44-H46 PolarHBondContact O-N 2.99Å; Y44-R47 PolarHBondContact O-N 3.39Å; Y44-L48 HydrophobicContact CE1-CD2 3.81Å; Y44-L48 VanDerWaalsContact O-CB 3.25Å; Y44-L48 WeakPolarHBondContact O-CB 3.4Å; Y44-L48 PolarHBondContact O-N 3.45Å; Y44-I75 HydrophobicContact CE1-CG2 4.38Å; Y44-F76 HydrophobicContact CE1-CE2 4.01Å; Y44-F76 HydrophobicContact CE1-CZ 4.04Å; Y44-L99 WeakPolarHBondContact OH-CD1 3.45Å; Y44-Y102 AromaticContact CE2-CD1 3.96Å; Y44-Y102 HydrophobicContact CE2-CD1 3.96Å; Y44-Y102 AromaticContact CE2-CE1 3.84Å; Y44-Y102 HydrophobicContact CE2-CE1 3.84Å; Y44-T103 HydrophobicContact CE2-CG2 4.01Å; Y44-T103 PolarHBondContact OH-OG1 2.71Å; Y44-T103 VanDerWaalsContact OH-OG1 3.05Å; Y44-I106 HydrophobicContact CD2-CB 4.13Å; Y44-I106 HydrophobicContact CD2-CG2 3.91Å
45A93.3Very high91.2Very high0 Ų034.2 Ų34.20%019%0.193CC..Hα-helixtrans-58.2-47176.800000112I41 R47 F49 I63 I75I41-A45 WeakPolarHBondContact O-CB 3.35Å; I41-A45 PolarHBondContact O-N 2.8Å; A45-R47 PolarHBondContact O-N 3.09Å; A45-F49 HydrophobicContact CB-CD2 4.42Å; A45-F49 HydrophobicContact CB-CE2 4.14Å; A45-F49 VanDerWaalsContact O-CB 3.3Å; A45-F49 WeakPolarHBondContact O-CB 3.45Å; A45-F49 VanDerWaalsContact O-CD2 3.23Å; A45-F49 WeakPolarHBondContact O-CD2 3.45Å; A45-F49 WeakPolarHBondContact O-CG 3.21Å; A45-F49 PolarHBondContact O-N 3.44Å; A45-I63 HydrophobicContact CB-CG2 3.92Å; A45-I75 HydrophobicContact CB-CD1 3.6Å; A45-I75 HydrophobicContact CB-CG1 4.16Å
46H92.6Very high91.4Very high73 Ų7333.2 Ų33.234%0.33819%0.185SC..Hα-helixtrans-59.8-47.4178.7-178.4-90.9000112Y37 H42 F43 Y44 T50 F64Y37-H46 HydrophobicContact CE1-CB 3.72Å; Y37-H46 AromaticContact CE1-CG 3.84Å; Y37-H46 PolarHBondContact OH-CE1 3.37Å; Y37-H46 PolarHBondContact OH-ND1 3.21Å; Y37-H46 VanDerWaalsContact OH-ND1 3.09Å; H42-H46 PolarHBondContact O-N 2.61Å; H42-H46 VanDerWaalsContact O-N 3.12Å; F43-H46 PolarHBondContact O-N 3.03Å; Y44-H46 PolarHBondContact O-N 2.99Å; H46-T50 WeakPolarHBondContact O-CB 3.48Å; H46-T50 PolarHBondContact O-N 3.43Å; H46-T50 VanDerWaalsContact O-N 3.11Å; H46-T50 PolarHBondContact O-OG1 2.79Å; H46-F64 HydrophobicContact CB-CE1 4.13Å; H46-F64 HydrophobicContact CB-CZ 3.8Å
47R92.2Very high91.6Very high73 Ų7334.2 Ų34.228%0.27519%0.187SC..Hα-helixtrans-63.8-51.7178.3-75.8-72.8178.8-178.1-3.6111.5E33 F43 Y44 A45 F49 T50 D51 Y102 I106E33-R47 IonicContact OE2-NH2 3.22Å; F43-R47 HydrophobicContact CD2-CG 4.43Å; F43-R47 HydrophobicContact CE1-CG 4.26Å; F43-R47 HydrophobicContact CE2-CG 3.95Å; F43-R47 HydrophobicContact CZ-CG 3.85Å; F43-R47 PolarHBondContact O-N 2.98Å; Y44-R47 PolarHBondContact O-N 3.39Å; A45-R47 PolarHBondContact O-N 3.09Å; R47-F49 PolarHBondContact O-N 3.33Å; R47-T50 WeakPolarHBondContact O-CB 3.32Å; R47-T50 PolarHBondContact O-N 2.91Å; R47-D51 PolarHBondContact O-N 2.79Å; R47-Y102 VanDerWaalsContact C-OH 3.3Å; R47-I106 HydrophobicContact CB-CD1 4.33Å; R47-I106 HydrophobicContact CB-CG2 4.5Å
48L92.3Very high91.6Very high0 Ų043.8 Ų43.80%022%0.223CC..Hα-helixtrans-57.8-48.6-179.2-179.964.2000111.8Y44 T50 D51 I52 I75 L80 L99 Y102 F220Y44-L48 HydrophobicContact CE1-CD2 3.81Å; Y44-L48 VanDerWaalsContact O-CB 3.25Å; Y44-L48 WeakPolarHBondContact O-CB 3.4Å; Y44-L48 PolarHBondContact O-N 3.45Å; L48-T50 VanDerWaalsContact C-N 3.31Å; L48-T50 PolarHBondContact O-N 2.98Å; L48-D51 PolarHBondContact O-N 3.04Å; L48-I52 HydrophobicContact CD1-CG2 4.15Å; L48-I52 HydrophobicContact CG-CD1 4.43Å; L48-I52 WeakPolarHBondContact O-CG1 3.35Å; L48-I52 PolarHBondContact O-N 3.44Å; L48-I75 HydrophobicContact CD2-CG2 4.06Å; L48-L80 HydrophobicContact CD2-CD1 4.11Å; L48-L80 HydrophobicContact CD2-CD2 4.07Å; L48-L80 HydrophobicContact CD2-CG 4.19Å; L48-L99 HydrophobicContact CD1-CD1 3.84Å; L48-Y102 WeakPolarHBondContact CA-OH 3.4Å; L48-Y102 HydrophobicContact CB-CE1 4.23Å; L48-Y102 HydrophobicContact CD1-CD1 4.32Å; L48-Y102 HydrophobicContact CD1-CE1 3.82Å; L48-Y102 PolarHBondContact N-OH 3.32Å; L48-F220 HydrophobicContact CD1-CE1 4.05Å; L48-F220 HydrophobicContact CD1-CZ 4.21Å
49F93.3Very high91.6Very high6 Ų641.1 Ų41.13%0.02622%0.215CC..Hα-helixtrans-67.3-31.8-179.5-65.9-23.1000113.5A45 R47 I52 G53 Y54 K60 I63 I75 A79A45-F49 HydrophobicContact CB-CD2 4.42Å; A45-F49 HydrophobicContact CB-CE2 4.14Å; A45-F49 VanDerWaalsContact O-CB 3.3Å; A45-F49 WeakPolarHBondContact O-CB 3.45Å; A45-F49 VanDerWaalsContact O-CD2 3.23Å; A45-F49 WeakPolarHBondContact O-CD2 3.45Å; A45-F49 WeakPolarHBondContact O-CG 3.21Å; A45-F49 PolarHBondContact O-N 3.44Å; R47-F49 PolarHBondContact O-N 3.33Å; F49-I52 HydrophobicContact CD1-CD1 4.28Å; F49-G53 WeakPolarHBondContact O-CA 3.44Å; F49-G53 PolarHBondContact O-N 2.95Å; F49-G53 VanDerWaalsContact O-N 3.12Å; F49-Y54 AromaticContact CD1-CD1 3.94Å; F49-Y54 HydrophobicContact CD1-CD1 3.94Å; F49-Y54 AromaticContact CD1-CG 3.96Å; F49-Y54 HydrophobicContact CD1-CG 3.96Å; F49-Y54 HydrophobicContact CD2-CD1 4.45Å; F49-Y54 HydrophobicContact CE1-CD1 4.05Å; F49-Y54 HydrophobicContact CE1-CE1 4.49Å; F49-Y54 HydrophobicContact CE1-CG 4.28Å; F49-Y54 HydrophobicContact CG-CD1 4.15Å; F49-Y54 HydrophobicContact CG-CG 4.42Å; F49-Y54 HydrophobicContact CZ-CD1 4.34Å; F49-Y54 PolarHBondContact O-N 3.43Å; F49-K60 HydrophobicContact CD2-CG 3.82Å; F49-K60 HydrophobicContact CE2-CG 4.17Å; F49-I63 HydrophobicContact CE2-CD1 3.63Å; F49-I63 HydrophobicContact CZ-CD1 3.48Å; F49-I63 VanDerWaalsContact CZ-CD1 3.48Å; F49-I75 HydrophobicContact CZ-CG1 4.24Å; F49-A79 HydrophobicContact CE1-CB 3.83Å; F49-A79 HydrophobicContact CZ-CB 3.73Å
50T90.9Very high91.7Very high93 Ų9342.9 Ų42.957%0.57122%0.222SC*.Hα-helixtrans-67.4-44.3172.4-57.80000110.4H46 R47 L48 G53H46-T50 WeakPolarHBondContact O-CB 3.48Å; H46-T50 PolarHBondContact O-N 3.43Å; H46-T50 VanDerWaalsContact O-N 3.11Å; H46-T50 PolarHBondContact O-OG1 2.79Å; R47-T50 WeakPolarHBondContact O-CB 3.32Å; R47-T50 PolarHBondContact O-N 2.91Å; L48-T50 VanDerWaalsContact C-N 3.31Å; L48-T50 PolarHBondContact O-N 2.98Å; T50-G53 PolarHBondContact O-N 3.03Å
51D89.7Confident91.7Very high18 Ų1847.7 Ų47.710%0.09625%0.245CC..Hα-helixtrans-71.1-34-175.9-73.3-30.6000113.6R47 L48 Y102 R221R47-D51 PolarHBondContact O-N 2.79Å; L48-D51 PolarHBondContact O-N 3.04Å; D51-Y102 WeakPolarHBondContact OD2-CE2 3.23Å; D51-Y102 PolarHBondContact OD2-OH 3.42Å; D51-R221 IonicContact OD1-CZ 3.75Å; D51-R221 IonicContact OD1-NE 3.44Å; D51-R221 IonicContact OD1-NH2 3.68Å; D51-R221 PolarHBondContact OD1-NH2 2.89Å
52I89.2Confident91.6Very high1 Ų150 Ų501%0.00526%0.264CS..Hα-helixtrans-92.3-7.1177.173.9-174.8000113.6L48 F49 A83 F220 Y224L48-I52 HydrophobicContact CD1-CG2 4.15Å; L48-I52 HydrophobicContact CG-CD1 4.43Å; L48-I52 WeakPolarHBondContact O-CG1 3.35Å; L48-I52 PolarHBondContact O-N 3.44Å; F49-I52 HydrophobicContact CD1-CD1 4.28Å; I52-A83 HydrophobicContact CD1-CB 4.17Å; I52-F220 HydrophobicContact CG2-CE1 3.69Å; I52-F220 HydrophobicContact CG2-CZ 4.02Å; I52-Y224 HydrophobicContact CB-CD1 4.13Å; I52-Y224 HydrophobicContact CB-CE1 3.71Å; I52-Y224 HydrophobicContact CB-CE2 4.37Å; I52-Y224 HydrophobicContact CG2-CD1 4.28Å; I52-Y224 HydrophobicContact CG2-CD2 4.41Å; I52-Y224 HydrophobicContact CG2-CE1 4.28Å; I52-Y224 HydrophobicContact CG2-CE2 4.39Å; I52-Y224 HydrophobicContact CG2-CG 4.36Å; I52-Y224 WeakPolarHBondContact O-CE1 3.38Å
53G88.5Confident91.6Very high50 Ų5050 Ų5052%0.51526%0.264SS..THydrogen-bonded Turntrans63.841.1-175.600000113.5F49 T50 A55F49-G53 WeakPolarHBondContact O-CA 3.44Å; F49-G53 PolarHBondContact O-N 2.95Å; F49-G53 VanDerWaalsContact O-N 3.12Å; T50-G53 PolarHBondContact O-N 3.03Å; G53-A55 PolarHBondContact O-N 3.11Å
54Y90.1Very high91.5Very high16 Ų1652.9 Ų52.96%0.06328%0.276CS..  trans-63.7131-179.8-170.8-112.2000110.5F49 D56 K59 K60 A79 E82 A83F49-Y54 AromaticContact CD1-CD1 3.94Å; F49-Y54 HydrophobicContact CD1-CD1 3.94Å; F49-Y54 AromaticContact CD1-CG 3.96Å; F49-Y54 HydrophobicContact CD1-CG 3.96Å; F49-Y54 HydrophobicContact CD2-CD1 4.45Å; F49-Y54 HydrophobicContact CE1-CD1 4.05Å; F49-Y54 HydrophobicContact CE1-CE1 4.49Å; F49-Y54 HydrophobicContact CE1-CG 4.28Å; F49-Y54 HydrophobicContact CG-CD1 4.15Å; F49-Y54 HydrophobicContact CG-CG 4.42Å; F49-Y54 HydrophobicContact CZ-CD1 4.34Å; F49-Y54 PolarHBondContact O-N 3.43Å; Y54-D56 HydrophobicContact CE1-CB 3.89Å; Y54-K59 HydrophobicContact CE1-CB 4.21Å; Y54-K59 WeakPolarHBondContact OH-CD 3.39Å; Y54-K60 HydrophobicContact CD1-CG 4.16Å; Y54-K60 WeakPolarHBondContact O-CE 3.26Å; Y54-K60 PolarHBondContact O-NZ 2.88Å; Y54-A79 HydrophobicContact CE1-CB 4.06Å; Y54-A79 HydrophobicContact CE2-CB 4.33Å; Y54-A79 WeakPolarHBondContact CE2-O 3.28Å; Y54-E82 PolarHBondContact OH-OE2 2.84Å; Y54-A83 HydrophobicContact CD2-CB 4.15Å; Y54-A83 HydrophobicContact CE2-CB 4.35Å
55A87Confident91.5Very high84 Ų8458.1 Ų58.169%0.69430%0.304SS*.  trans-102-18.7-16600000115.3G53 E57G53-A55 PolarHBondContact O-N 3.11Å; A55-E57 PolarHBondContact O-N 3.32Å
56D89.9Confident91.5Very high48 Ų4858.8 Ų58.826%0.25731%0.31SS..  trans-77.394.1-174.7-169.8-21.8000111.9Y54 R58 K59 K60Y54-D56 HydrophobicContact CE1-CB 3.89Å; D56-R58 PolarHBondContact O-N 3.22Å; D56-R58 WeakPolarHBondContact OD1-CA 3.44Å; D56-R58 WeakPolarHBondContact OD1-CB 3.44Å; D56-R58 PolarHBondContact OD1-N 2.75Å; D56-K59 HydrophobicContact CB-CB 4.16Å; D56-K59 HydrophobicContact CB-CD 4.34Å; D56-K59 HydrophobicContact CB-CG 4.43Å; D56-K59 PolarHBondContact O-N 3.1Å; D56-K59 PolarHBondContact OD1-N 3.44Å; D56-K59 VanDerWaalsContact OD1-N 3.11Å; D56-K59 WeakPolarHBondContact OD2-CD 3.34Å; D56-K59 WeakPolarHBondContact OD2-CG 3.43Å; D56-K60 WeakPolarHBondContact O-CG 3.48Å; D56-K60 PolarHBondContact O-N 2.82Å
57E91.8Very high91.5Very high125 Ų12558 Ų5858%0.58431%0.313SS*.Hα-helixtrans-62.3-26.5177.9-65.3-55.6133.800113.7A55 K60 Q61A55-E57 PolarHBondContact O-N 3.32Å; E57-K60 IonicContact OE1-NZ 2.72Å; E57-K60 PolarHBondContact OE1-NZ 3.02Å; E57-Q61 WeakPolarHBondContact O-CB 3.38Å; E57-Q61 PolarHBondContact O-N 3.36Å
58R91.3Very high91.5Very high216 Ų21654.7 Ų54.782%0.81530%0.301SS*.Hα-helixtrans-72.7-44.3177.8-66.4-178.3178.3173.71.1110.7D56 Q61 A62D56-R58 PolarHBondContact O-N 3.22Å; D56-R58 WeakPolarHBondContact OD1-CA 3.44Å; D56-R58 WeakPolarHBondContact OD1-CB 3.44Å; D56-R58 PolarHBondContact OD1-N 2.75Å; R58-Q61 PolarHBondContact O-N 3.21Å; R58-A62 PolarHBondContact O-N 2.87Å
59K90.6Very high91.4Very high49 Ų4958.1 Ų58.121%0.21332%0.319CS..Hα-helixtrans-66.9-39.7176.5-75.4-178.6177.7-171.70111.6Y54 D56 Q61 A62 I63 D78 E82Y54-K59 HydrophobicContact CE1-CB 4.21Å; Y54-K59 WeakPolarHBondContact OH-CD 3.39Å; D56-K59 HydrophobicContact CB-CB 4.16Å; D56-K59 HydrophobicContact CB-CD 4.34Å; D56-K59 HydrophobicContact CB-CG 4.43Å; D56-K59 PolarHBondContact O-N 3.1Å; D56-K59 PolarHBondContact OD1-N 3.44Å; D56-K59 VanDerWaalsContact OD1-N 3.11Å; D56-K59 WeakPolarHBondContact OD2-CD 3.34Å; D56-K59 WeakPolarHBondContact OD2-CG 3.43Å; K59-Q61 PolarHBondContact O-N 2.99Å; K59-A62 PolarHBondContact O-N 3.16Å; K59-I63 VanDerWaalsContact O-CG1 3.3Å; K59-I63 WeakPolarHBondContact O-CG1 3.37Å; K59-I63 PolarHBondContact O-N 2.82Å; K59-D78 WeakPolarHBondContact CE-OD1 3.5Å; K59-D78 IonicContact NZ-OD1 2.92Å; K59-D78 PolarHBondContact NZ-OD1 2.59Å; K59-D78 IonicContact NZ-OD2 2.77Å; K59-E82 WeakPolarHBondContact CD-OE2 3.12Å; K59-E82 IonicContact NZ-OE2 2.74Å; K59-E82 PolarHBondContact NZ-OE2 3.04Å
60K93.4Very high91.2Very high37 Ų3762.6 Ų62.616%0.16134%0.338CS..Hα-helixtrans-54.4-53.1170.7-72.3180-171.5171.10111.1F49 Y54 D56 E57 A62 I63 F64F49-K60 HydrophobicContact CD2-CG 3.82Å; F49-K60 HydrophobicContact CE2-CG 4.17Å; Y54-K60 HydrophobicContact CD1-CG 4.16Å; Y54-K60 WeakPolarHBondContact O-CE 3.26Å; Y54-K60 PolarHBondContact O-NZ 2.88Å; D56-K60 WeakPolarHBondContact O-CG 3.48Å; D56-K60 PolarHBondContact O-N 2.82Å; E57-K60 IonicContact OE1-NZ 2.72Å; E57-K60 PolarHBondContact OE1-NZ 3.02Å; K60-A62 VanDerWaalsContact C-N 3.33Å; K60-A62 PolarHBondContact O-N 2.62Å; K60-I63 WeakPolarHBondContact O-CB 3.12Å; K60-I63 PolarHBondContact O-N 2.97Å; K60-I63 VanDerWaalsContact O-N 3.13Å; K60-F64 HydrophobicContact CB-CD2 4.44Å; K60-F64 HydrophobicContact CB-CE2 4.37Å; K60-F64 WeakPolarHBondContact O-CD2 3.37Å; K60-F64 PolarHBondContact O-N 3.49Å
61Q93.1Very high91.3Very high104 Ų10458.1 Ų58.149%0.48631%0.311SS..Hα-helixtrans-59.2-43.7-180-172.160.843.800111.9E57 R58 K59 I63 F64 D65E57-Q61 WeakPolarHBondContact O-CB 3.38Å; E57-Q61 PolarHBondContact O-N 3.36Å; R58-Q61 PolarHBondContact O-N 3.21Å; K59-Q61 PolarHBondContact O-N 2.99Å; Q61-I63 VanDerWaalsContact C-N 3.28Å; Q61-I63 PolarHBondContact O-N 3.47Å; Q61-F64 PolarHBondContact O-N 3.09Å; Q61-F64 VanDerWaalsContact O-N 3.16Å; Q61-D65 VanDerWaalsContact NE2-CG 3.27Å; Q61-D65 PolarHBondContact NE2-OD1 3.33Å; Q61-D65 PolarHBondContact NE2-OD2 3.07Å; Q61-D65 WeakPolarHBondContact O-CB 3.49Å; Q61-D65 VanDerWaalsContact O-CG 3.29Å; Q61-D65 PolarHBondContact O-N 2.71Å
62A93.1Very high91.4Very high49 Ų4958.9 Ų58.941%0.40531%0.313SS..Hα-helixtrans-60.3-35.9176.900000113.1R58 K59 K60 A66R58-A62 PolarHBondContact O-N 2.87Å; K59-A62 PolarHBondContact O-N 3.16Å; K60-A62 VanDerWaalsContact C-N 3.33Å; K60-A62 PolarHBondContact O-N 2.62Å; A62-A66 WeakPolarHBondContact O-CB 3.39Å; A62-A66 PolarHBondContact O-N 3.44Å
63I93Very high91.3Very high3 Ų362.3 Ų62.32%0.01533%0.328CS..Hα-helixtrans-70.2-42.4175.2-69.7165.8000111A45 F49 K59 K60 Q61 D65 A66 A71 L74 I75 A79A45-I63 HydrophobicContact CB-CG2 3.92Å; F49-I63 HydrophobicContact CE2-CD1 3.63Å; F49-I63 HydrophobicContact CZ-CD1 3.48Å; F49-I63 VanDerWaalsContact CZ-CD1 3.48Å; K59-I63 VanDerWaalsContact O-CG1 3.3Å; K59-I63 WeakPolarHBondContact O-CG1 3.37Å; K59-I63 PolarHBondContact O-N 2.82Å; K60-I63 WeakPolarHBondContact O-CB 3.12Å; K60-I63 PolarHBondContact O-N 2.97Å; K60-I63 VanDerWaalsContact O-N 3.13Å; Q61-I63 VanDerWaalsContact C-N 3.28Å; Q61-I63 PolarHBondContact O-N 3.47Å; I63-D65 VanDerWaalsContact C-N 3.3Å; I63-D65 PolarHBondContact O-N 3.43Å; I63-A66 PolarHBondContact O-N 3.02Å; I63-A71 HydrophobicContact CG2-CB 4.03Å; I63-L74 HydrophobicContact CD1-CB 4.2Å; I63-L74 HydrophobicContact CG1-CB 3.59Å; I63-L74 HydrophobicContact CG1-CD1 4.13Å; I63-I75 HydrophobicContact CD1-CG1 3.92Å; I63-I75 HydrophobicContact CG1-CG1 4.43Å; I63-I75 HydrophobicContact CG2-CD1 4.03Å; I63-I75 HydrophobicContact CG2-CG1 3.88Å; I63-A79 HydrophobicContact CD1-CB 4.18Å
64F93.5Very high91.4Very high65 Ų6562 Ų6229%0.28532%0.315SS..Hα-helixtrans-70.5-23.8179-74.2-67.7000114.1H42 H46 K60 Q61H42-F64 HydrophobicContact CB-CD1 4.47Å; H42-F64 WeakPolarHBondContact O-CE1 3.23Å; H46-F64 HydrophobicContact CB-CE1 4.13Å; H46-F64 HydrophobicContact CB-CZ 3.8Å; K60-F64 HydrophobicContact CB-CD2 4.44Å; K60-F64 HydrophobicContact CB-CE2 4.37Å; K60-F64 WeakPolarHBondContact O-CD2 3.37Å; K60-F64 PolarHBondContact O-N 3.49Å; Q61-F64 PolarHBondContact O-N 3.09Å; Q61-F64 VanDerWaalsContact O-N 3.16Å
65D93.2Very high91.3Very high110 Ų11061.2 Ų61.259%0.58831%0.312SS*.Hα-helixtrans-87.4-13.6176.2-67.7-26.3000113.3Q61 I63Q61-D65 VanDerWaalsContact NE2-CG 3.27Å; Q61-D65 PolarHBondContact NE2-OD1 3.33Å; Q61-D65 PolarHBondContact NE2-OD2 3.07Å; Q61-D65 WeakPolarHBondContact O-CB 3.49Å; Q61-D65 VanDerWaalsContact O-CG 3.29Å; Q61-D65 PolarHBondContact O-N 2.71Å; I63-D65 VanDerWaalsContact C-N 3.3Å; I63-D65 PolarHBondContact O-N 3.43Å
66A93Very high91.2Very high14 Ų1458.7 Ų58.712%0.11629%0.285CS..SBendtrans-78.7165.6-176.100000113.3H42 A62 I63 K70 A71 L74H42-A66 PolarHBondContact NE2-O 2.95Å; A62-A66 WeakPolarHBondContact O-CB 3.39Å; A62-A66 PolarHBondContact O-N 3.44Å; I63-A66 PolarHBondContact O-N 3.02Å; A66-K70 HydrophobicContact CB-CB 4.04Å; A66-K70 HydrophobicContact CB-CG 4.1Å; A66-A71 HydrophobicContact CB-CB 4.13Å; A66-L74 HydrophobicContact CB-CD1 4.28Å
67S92.9Very high90.9Very high56 Ų5662.2 Ų62.239%0.39230%0.304SS..  trans-70.8158.5165.166.10000110.1L69 K70 A71S67-L69 VanDerWaalsContact C-N 3.27Å; S67-L69 PolarHBondContact O-N 3.4Å; S67-L69 VanDerWaalsContact O-N 3.16Å; S67-K70 CarbonylContact O-C 3.56Å; S67-K70 PolarHBondContact O-N 3.18Å; S67-K70 WeakPolarHBondContact OG-CB 3.3Å; S67-A71 WeakPolarHBondContact O-CB 3.49Å; S67-A71 PolarHBondContact O-N 2.9Å
68P91.8Very high90.6Very high4 Ų459.2 Ų59.23%0.02629%0.292CS..Hα-helixtrans-52.5-41.6-178.3-2833.7000114.3F25 E27 S39 I41 Y72F25-P68 HydrophobicContact CB-CB 4.45Å; F25-P68 WeakPolarHBondContact O-CB 3.22Å; E27-P68 HydrophobicContact CG-CG 3.41Å; E27-P68 VanDerWaalsContact CG-CG 3.41Å; E27-P68 WeakPolarHBondContact OE1-CD 3.27Å; S39-P68 WeakPolarHBondContact OG-CG 3.24Å; I41-P68 HydrophobicContact CB-CB 4.46Å; I41-P68 HydrophobicContact CG1-CB 4.27Å; P68-Y72 WeakPolarHBondContact O-CB 3.24Å; P68-Y72 PolarHBondContact O-N 3.28Å
69L89.5Confident90.4Very high73 Ų7349 Ų4938%0.38225%0.254SS..Hα-helixtrans-66.8-41.7178.9-145.5107.3000111.3A18 F25 S67 Y72 E73A18-L69 HydrophobicContact CB-CD1 4.47Å; F25-L69 HydrophobicContact CB-CD1 4.32Å; F25-L69 HydrophobicContact CD1-CD1 4.17Å; F25-L69 HydrophobicContact CD2-CD1 4.5Å; F25-L69 HydrophobicContact CG-CD1 4.07Å; S67-L69 VanDerWaalsContact C-N 3.27Å; S67-L69 PolarHBondContact O-N 3.4Å; S67-L69 VanDerWaalsContact O-N 3.16Å; L69-Y72 PolarHBondContact O-N 2.96Å; L69-E73 PolarHBondContact O-N 3.45Å; L69-E73 VanDerWaalsContact O-N 3.12Å
70K90.4Very high90.1Very high99 Ų9947 Ų4743%0.4325%0.245SC..Hα-helixtrans-73.8-35.8179.5-173.167.8-166.1167.60112.3A66 S67 Y72 E73 L74A66-K70 HydrophobicContact CB-CB 4.04Å; A66-K70 HydrophobicContact CB-CG 4.1Å; S67-K70 CarbonylContact O-C 3.56Å; S67-K70 PolarHBondContact O-N 3.18Å; S67-K70 WeakPolarHBondContact OG-CB 3.3Å; K70-Y72 VanDerWaalsContact C-N 3.32Å; K70-E73 WeakPolarHBondContact CD-OE2 3.33Å; K70-E73 IonicContact NZ-OE2 3.25Å; K70-E73 PolarHBondContact NZ-OE2 3.01Å; K70-E73 PolarHBondContact O-N 3.34Å; K70-L74 HydrophobicContact CG-CD1 4.42Å; K70-L74 WeakPolarHBondContact O-CG 3.37Å; K70-L74 PolarHBondContact O-N 2.73Å
71A92.9Very high89.6Confident0 Ų051.1 Ų51.10%027%0.266CS..Hα-helixtrans-59.3-44.8171.400000110.4I41 I63 A66 S67 L74 I75I41-A71 HydrophobicContact CG2-CB 3.8Å; I63-A71 HydrophobicContact CG2-CB 4.03Å; A66-A71 HydrophobicContact CB-CB 4.13Å; S67-A71 WeakPolarHBondContact O-CB 3.49Å; S67-A71 PolarHBondContact O-N 2.9Å; A71-L74 PolarHBondContact O-N 3.45Å; A71-I75 VanDerWaalsContact O-CD1 3.3Å; A71-I75 WeakPolarHBondContact O-CD1 3.31Å; A71-I75 WeakPolarHBondContact O-CG1 2.84Å; A71-I75 PolarHBondContact O-N 2.75Å
72Y90.9Very high89.2Confident34 Ų3450.1 Ų50.113%0.13326%0.262CS..Hα-helixtrans-59.6-48.6175.3173-93.3000112.2F25 I41 P68 L69 K70 L74 I75 F76 D139 F142F25-Y72 HydrophobicContact CE1-CD1 4.21Å; F25-Y72 HydrophobicContact CE1-CD2 4.08Å; F25-Y72 AromaticContact CE1-CG 3.73Å; F25-Y72 HydrophobicContact CE1-CG 3.73Å; F25-Y72 HydrophobicContact CZ-CD1 4.43Å; F25-Y72 HydrophobicContact CZ-CD2 4.37Å; F25-Y72 HydrophobicContact CZ-CG 4.23Å; I41-Y72 HydrophobicContact CD1-CD2 4.19Å; P68-Y72 WeakPolarHBondContact O-CB 3.24Å; P68-Y72 PolarHBondContact O-N 3.28Å; L69-Y72 PolarHBondContact O-N 2.96Å; K70-Y72 VanDerWaalsContact C-N 3.32Å; Y72-L74 VanDerWaalsContact C-N 3.31Å; Y72-L74 PolarHBondContact O-N 3.45Å; Y72-I75 PolarHBondContact O-N 3.45Å; Y72-F76 AromaticContact CD2-CD2 3.47Å; Y72-F76 HydrophobicContact CD2-CD2 3.47Å; Y72-F76 VanDerWaalsContact CD2-CD2 3.47Å; Y72-F76 AromaticContact CD2-CE2 3.48Å; Y72-F76 HydrophobicContact CD2-CE2 3.48Å; Y72-F76 VanDerWaalsContact CD2-CE2 3.48Å; Y72-F76 HydrophobicContact CE1-CD2 4.36Å; Y72-F76 AromaticContact CE2-CD2 3.17Å; Y72-F76 HydrophobicContact CE2-CD2 3.17Å; Y72-F76 AromaticContact CE2-CE2 3.12Å; Y72-F76 HydrophobicContact CE2-CE2 3.12Å; Y72-F76 HydrophobicContact CE2-CG 4.04Å; Y72-F76 AromaticContact CE2-CZ 3.94Å; Y72-F76 HydrophobicContact CE2-CZ 3.94Å; Y72-F76 HydrophobicContact CG-CD2 4.17Å; Y72-F76 AromaticContact CZ-CD2 3.66Å; Y72-F76 AromaticContact CZ-CE2 3.98Å; Y72-F76 PolarHBondContact O-N 2.91Å; Y72-D139 HydrophobicContact CE1-CB 4.17Å; Y72-D139 WeakPolarHBondContact CE1-OD2 3.43Å; Y72-D139 WeakPolarHBondContact CE2-OD2 3.14Å; Y72-D139 VanDerWaalsContact CZ-CG 3.48Å; Y72-D139 WeakPolarHBondContact OH-CB 3.29Å; Y72-D139 PolarHBondContact OH-OD1 3.09Å; Y72-D139 PolarHBondContact OH-OD2 3.49Å; Y72-D139 VanDerWaalsContact OH-OD2 3.1Å; Y72-F142 AromaticContact CD2-CE2 3.93Å; Y72-F142 HydrophobicContact CD2-CE2 3.93Å; Y72-F142 HydrophobicContact CE2-CD2 4.07Å; Y72-F142 AromaticContact CE2-CE2 3.61Å; Y72-F142 HydrophobicContact CE2-CE2 3.61Å
73E87.1Confident88.8Confident72 Ų7248.4 Ų48.434%0.33625%0.248SC..Hα-helixtrans-56.6-44.3175.8-72.9177.6-177.600112.2L69 K70 N77L69-E73 PolarHBondContact O-N 3.45Å; L69-E73 VanDerWaalsContact O-N 3.12Å; K70-E73 WeakPolarHBondContact CD-OE2 3.33Å; K70-E73 IonicContact NZ-OE2 3.25Å; K70-E73 PolarHBondContact NZ-OE2 3.01Å; K70-E73 PolarHBondContact O-N 3.34Å; E73-N77 WeakPolarHBondContact O-CB 3.16Å; E73-N77 PolarHBondContact O-N 3.41Å
74L90Very high88.4Confident43 Ų4348.8 Ų48.823%0.22525%0.249CC..Hα-helixtrans-67.8-34.7179.3-71.5172.1000112.5I63 A66 K70 A71 Y72 D78 A79I63-L74 HydrophobicContact CD1-CB 4.2Å; I63-L74 HydrophobicContact CG1-CB 3.59Å; I63-L74 HydrophobicContact CG1-CD1 4.13Å; A66-L74 HydrophobicContact CB-CD1 4.28Å; K70-L74 HydrophobicContact CG-CD1 4.42Å; K70-L74 WeakPolarHBondContact O-CG 3.37Å; K70-L74 PolarHBondContact O-N 2.73Å; A71-L74 PolarHBondContact O-N 3.45Å; Y72-L74 VanDerWaalsContact C-N 3.31Å; Y72-L74 PolarHBondContact O-N 3.45Å; L74-D78 WeakPolarHBondContact O-CB 3.31Å; L74-D78 PolarHBondContact O-N 3.09Å; L74-A79 PolarHBondContact O-N 3.36Å
75I88.7Confident87.9Confident0 Ų049.9 Ų49.90%027%0.265CS..Iπ-helixtrans-66.2-53.4176.3-66.4156.4000110.3I41 Y44 A45 L48 F49 I63 A71 Y72 A79 L80I41-I75 HydrophobicContact CG2-CD1 3.77Å; Y44-I75 HydrophobicContact CE1-CG2 4.38Å; A45-I75 HydrophobicContact CB-CD1 3.6Å; A45-I75 HydrophobicContact CB-CG1 4.16Å; L48-I75 HydrophobicContact CD2-CG2 4.06Å; F49-I75 HydrophobicContact CZ-CG1 4.24Å; I63-I75 HydrophobicContact CD1-CG1 3.92Å; I63-I75 HydrophobicContact CG1-CG1 4.43Å; I63-I75 HydrophobicContact CG2-CD1 4.03Å; I63-I75 HydrophobicContact CG2-CG1 3.88Å; A71-I75 VanDerWaalsContact O-CD1 3.3Å; A71-I75 WeakPolarHBondContact O-CD1 3.31Å; A71-I75 WeakPolarHBondContact O-CG1 2.84Å; A71-I75 PolarHBondContact O-N 2.75Å; Y72-I75 PolarHBondContact O-N 3.45Å; I75-A79 PolarHBondContact O-N 3.01Å; I75-L80 HydrophobicContact CG2-CD1 4.08Å; I75-L80 HydrophobicContact CG2-CG 4.39Å; I75-L80 WeakPolarHBondContact O-CB 3.46Å; I75-L80 PolarHBondContact O-N 3.34Å
76F85.8Confident87.4Confident31 Ų3148.6 Ų48.614%0.13626%0.261CS..Iπ-helixtrans-83.4-34.1-170.4-78-89.2000114Y44 Y72 L80 L99 I141Y44-F76 HydrophobicContact CE1-CE2 4.01Å; Y44-F76 HydrophobicContact CE1-CZ 4.04Å; Y72-F76 AromaticContact CD2-CD2 3.47Å; Y72-F76 HydrophobicContact CD2-CD2 3.47Å; Y72-F76 VanDerWaalsContact CD2-CD2 3.47Å; Y72-F76 AromaticContact CD2-CE2 3.48Å; Y72-F76 HydrophobicContact CD2-CE2 3.48Å; Y72-F76 VanDerWaalsContact CD2-CE2 3.48Å; Y72-F76 HydrophobicContact CE1-CD2 4.36Å; Y72-F76 AromaticContact CE2-CD2 3.17Å; Y72-F76 HydrophobicContact CE2-CD2 3.17Å; Y72-F76 AromaticContact CE2-CE2 3.12Å; Y72-F76 HydrophobicContact CE2-CE2 3.12Å; Y72-F76 HydrophobicContact CE2-CG 4.04Å; Y72-F76 AromaticContact CE2-CZ 3.94Å; Y72-F76 HydrophobicContact CE2-CZ 3.94Å; Y72-F76 HydrophobicContact CG-CD2 4.17Å; Y72-F76 AromaticContact CZ-CD2 3.66Å; Y72-F76 AromaticContact CZ-CE2 3.98Å; Y72-F76 PolarHBondContact O-N 2.91Å; F76-L80 HydrophobicContact CD1-CD1 3.78Å; F76-L80 HydrophobicContact CE1-CD1 3.89Å; F76-L80 HydrophobicContact CG-CD1 4.25Å; F76-L80 HydrophobicContact CZ-CD1 4.44Å; F76-L99 HydrophobicContact CE1-CD2 4.05Å; F76-I141 HydrophobicContact CD1-CD1 4.45Å; F76-I141 HydrophobicContact CE1-CD1 3.78Å; F76-I141 HydrophobicContact CZ-CD1 4.17Å
77N83.6Confident86.8Confident123 Ų12348.6 Ų48.666%0.65826%0.259SS*.Iπ-helixtrans-93.6-12-177-59.6-33000113.8E73E73-N77 WeakPolarHBondContact O-CB 3.16Å; E73-N77 PolarHBondContact O-N 3.41Å
78D85.1Confident86Confident62 Ų6248.6 Ų48.633%0.33226%0.259SS..Iπ-helixtrans-129.5-67.2-176.5-168.65.7000111.7K59 L74 L80 M81 E82K59-D78 WeakPolarHBondContact CE-OD1 3.5Å; K59-D78 IonicContact NZ-OD1 2.92Å; K59-D78 PolarHBondContact NZ-OD1 2.59Å; K59-D78 IonicContact NZ-OD2 2.77Å; L74-D78 WeakPolarHBondContact O-CB 3.31Å; L74-D78 PolarHBondContact O-N 3.09Å; D78-L80 PolarHBondContact O-N 3.02Å; D78-M81 PolarHBondContact O-N 3.4Å; D78-E82 WeakPolarHBondContact O-CB 3.07Å; D78-E82 PolarHBondContact O-N 3.43Å
79A86.4Confident84.8Confident1 Ų151.2 Ų51.21%0.00827%0.27CS..Iπ-helixtrans-63.7-45.1-17200000113.9F49 Y54 I63 L74 I75 A83F49-A79 HydrophobicContact CE1-CB 3.83Å; F49-A79 HydrophobicContact CZ-CB 3.73Å; Y54-A79 HydrophobicContact CE1-CB 4.06Å; Y54-A79 HydrophobicContact CE2-CB 4.33Å; Y54-A79 WeakPolarHBondContact CE2-O 3.28Å; I63-A79 HydrophobicContact CD1-CB 4.18Å; L74-A79 PolarHBondContact O-N 3.36Å; I75-A79 PolarHBondContact O-N 3.01Å; A79-A83 WeakPolarHBondContact O-CB 3.43Å; A79-A83 PolarHBondContact O-N 2.83Å
80L84.9Confident83.9Confident6 Ų654.7 Ų54.73%0.03129%0.285CS..Hα-helixtrans-70.2-39.3177.5-84.6171.9000112.5L48 I75 F76 D78 E82 A83 F84 L99L48-L80 HydrophobicContact CD2-CD1 4.11Å; L48-L80 HydrophobicContact CD2-CD2 4.07Å; L48-L80 HydrophobicContact CD2-CG 4.19Å; I75-L80 HydrophobicContact CG2-CD1 4.08Å; I75-L80 HydrophobicContact CG2-CG 4.39Å; I75-L80 WeakPolarHBondContact O-CB 3.46Å; I75-L80 PolarHBondContact O-N 3.34Å; F76-L80 HydrophobicContact CD1-CD1 3.78Å; F76-L80 HydrophobicContact CE1-CD1 3.89Å; F76-L80 HydrophobicContact CG-CD1 4.25Å; F76-L80 HydrophobicContact CZ-CD1 4.44Å; D78-L80 PolarHBondContact O-N 3.02Å; L80-E82 VanDerWaalsContact C-N 3.3Å; L80-E82 PolarHBondContact O-N 3.35Å; L80-A83 PolarHBondContact O-N 3.12Å; L80-F84 HydrophobicContact CD2-CE1 3.92Å; L80-F84 HydrophobicContact CD2-CE2 4.39Å; L80-F84 HydrophobicContact CD2-CZ 3.84Å; L80-F84 VanDerWaalsContact O-CB 3.32Å; L80-F84 WeakPolarHBondContact O-CB 3.34Å; L80-F84 WeakPolarHBondContact O-CG 3.29Å; L80-F84 PolarHBondContact O-N 3.24Å; L80-L99 HydrophobicContact CD1-CD2 3.78Å
81M82.9Confident83.2Confident124 Ų12452 Ų5261%0.61127%0.274SS*.Hα-helixtrans-62.2-40.1176.6-68.5-57.6-64.500111.3D78 S85D78-M81 PolarHBondContact O-N 3.4Å; M81-S85 WeakPolarHBondContact O-CB 3.33Å; M81-S85 PolarHBondContact O-N 3.04Å
82E85.1Confident82.4Confident83 Ų8353.9 Ų53.939%0.38828%0.283SS..Hα-helixtrans-63.7-49.9171.8-177.3-174.7178.200111.5Y54 K59 D78 L80 F84 S85Y54-E82 PolarHBondContact OH-OE2 2.84Å; K59-E82 WeakPolarHBondContact CD-OE2 3.12Å; K59-E82 IonicContact NZ-OE2 2.74Å; K59-E82 PolarHBondContact NZ-OE2 3.04Å; D78-E82 WeakPolarHBondContact O-CB 3.07Å; D78-E82 PolarHBondContact O-N 3.43Å; L80-E82 VanDerWaalsContact C-N 3.3Å; L80-E82 PolarHBondContact O-N 3.35Å; E82-F84 PolarHBondContact O-N 3.11Å; E82-S85 WeakPolarHBondContact O-CB 3.34Å; E82-S85 PolarHBondContact O-N 3.5Å; E82-S85 PolarHBondContact O-OG 3.45Å
83A84Confident81.4Confident13 Ų1354.6 Ų54.611%0.10729%0.291CS..Hα-helixtrans-61.6-28.8-17900000113.1I52 Y54 A79 L80I52-A83 HydrophobicContact CD1-CB 4.17Å; Y54-A83 HydrophobicContact CD2-CB 4.15Å; Y54-A83 HydrophobicContact CE2-CB 4.35Å; A79-A83 WeakPolarHBondContact O-CB 3.43Å; A79-A83 PolarHBondContact O-N 2.83Å; L80-A83 PolarHBondContact O-N 3.12Å
84F85.7Confident80.8Confident11 Ų1155.1 Ų55.15%0.04830%0.296CS..Hα-helixtrans-96.9-6.9-178.2-70.66.6000113.6L80 E82 V86 F87 I92 L95 Y224L80-F84 HydrophobicContact CD2-CE1 3.92Å; L80-F84 HydrophobicContact CD2-CE2 4.39Å; L80-F84 HydrophobicContact CD2-CZ 3.84Å; L80-F84 VanDerWaalsContact O-CB 3.32Å; L80-F84 WeakPolarHBondContact O-CB 3.34Å; L80-F84 WeakPolarHBondContact O-CG 3.29Å; L80-F84 PolarHBondContact O-N 3.24Å; E82-F84 PolarHBondContact O-N 3.11Å; F84-V86 PolarHBondContact O-N 3.31Å; F84-F87 HydrophobicContact CB-CD2 4.16Å; F84-F87 HydrophobicContact CD1-CD2 4.23Å; F84-F87 HydrophobicContact CD1-CE2 4.03Å; F84-F87 HydrophobicContact CG-CD2 4.34Å; F84-F87 PolarHBondContact O-N 3.15Å; F84-I92 HydrophobicContact CB-CG1 4.35Å; F84-I92 HydrophobicContact CD2-CG2 4.45Å; F84-L95 HydrophobicContact CD1-CD1 4.31Å; F84-L95 HydrophobicContact CE1-CD1 4.24Å; F84-L95 HydrophobicContact CE2-CB 3.93Å; F84-L95 HydrophobicContact CE2-CD1 4.48Å; F84-L95 HydrophobicContact CG-CD1 4.49Å; F84-L95 HydrophobicContact CZ-CB 4.05Å; F84-L95 HydrophobicContact CZ-CD1 4.32Å; F84-Y224 AromaticContact CD1-CE2 3.94Å; F84-Y224 HydrophobicContact CD1-CE2 3.94Å; F84-Y224 AromaticContact CE1-CD2 3.99Å; F84-Y224 HydrophobicContact CE1-CD2 3.99Å; F84-Y224 AromaticContact CE1-CE2 3.67Å; F84-Y224 HydrophobicContact CE1-CE2 3.67Å
85S82.6Confident80.3Confident88 Ų8853 Ų5362%0.61529%0.285SS*.THydrogen-bonded Turntrans-59-19.5-176.964.50000115M81 E82M81-S85 WeakPolarHBondContact O-CB 3.33Å; M81-S85 PolarHBondContact O-N 3.04Å; E82-S85 WeakPolarHBondContact O-CB 3.34Å; E82-S85 PolarHBondContact O-N 3.5Å; E82-S85 PolarHBondContact O-OG 3.45Å
86V81.3Confident79.7Confident83 Ų8355.4 Ų55.450%0.50330%0.301SS..THydrogen-bonded Turntrans-86.3-11.4179.5-63.90000114.1F84F84-V86 PolarHBondContact O-N 3.31Å
87F81.7Confident79.1Confident15 Ų1557.3 Ų57.37%0.06631%0.313CS..SBendtrans-93.8153.1-176.1-58.5-53000112F84 Q91 I92 L95 Y224 L227 K228F84-F87 HydrophobicContact CB-CD2 4.16Å; F84-F87 HydrophobicContact CD1-CD2 4.23Å; F84-F87 HydrophobicContact CD1-CE2 4.03Å; F84-F87 HydrophobicContact CG-CD2 4.34Å; F84-F87 PolarHBondContact O-N 3.15Å; F87-Q91 HydrophobicContact CB-CB 3.89Å; F87-I92 HydrophobicContact CB-CG1 3.99Å; F87-L95 HydrophobicContact CD2-CD1 3.36Å; F87-L95 HydrophobicContact CE2-CD1 3.54Å; F87-L95 HydrophobicContact CG-CD1 4.03Å; F87-L95 HydrophobicContact CZ-CD1 4.31Å; F87-Y224 AromaticContact CE2-CD2 3.98Å; F87-Y224 HydrophobicContact CE2-CD2 3.98Å; F87-Y224 AromaticContact CE2-CE2 3.54Å; F87-Y224 HydrophobicContact CE2-CE2 3.54Å; F87-Y224 HydrophobicContact CZ-CD2 4.09Å; F87-Y224 AromaticContact CZ-CE2 3.78Å; F87-Y224 HydrophobicContact CZ-CE2 3.78Å; F87-L227 HydrophobicContact CD1-CB 3.89Å; F87-L227 HydrophobicContact CE1-CB 3.62Å; F87-L227 HydrophobicContact CZ-CB 4.33Å; F87-K228 HydrophobicContact CE1-CB 4.24Å; F87-K228 HydrophobicContact CZ-CB 4.24Å
88S75.2Confident79Confident56 Ų5652.2 Ų52.239%0.39229%0.287SS..  trans-68162.616982.10000110.5E90 Q91 I92S88-E90 VanDerWaalsContact C-N 3.33Å; S88-E90 PolarHBondContact O-N 3.45Å; S88-Q91 WeakPolarHBondContact O-CB 3.41Å; S88-Q91 PolarHBondContact O-N 2.96Å; S88-Q91 VanDerWaalsContact O-N 3.11Å; S88-Q91 VanDerWaalsContact OG-CG 3.31Å; S88-Q91 WeakPolarHBondContact OG-CG 3.32Å; S88-Q91 PolarHBondContact OG-N 3.43Å; S88-I92 WeakPolarHBondContact O-CG1 3.49Å; S88-I92 PolarHBondContact O-N 2.85Å
89Q67.9Low79Confident58 Ų5849.8 Ų49.827%0.27127%0.274SS..Hα-helixtrans-65.3-34.7-177-171.46626.100114.2Q91 I92 V93 L276Q89-Q91 VanDerWaalsContact C-N 3.31Å; Q89-I92 PolarHBondContact O-N 3.4Å; Q89-V93 WeakPolarHBondContact O-CG2 3.36Å; Q89-V93 PolarHBondContact O-N 3.43Å; Q89-V93 VanDerWaalsContact O-N 3.1Å; Q89-L276 HydrophobicContact CB-CB 4.33Å; Q89-L276 HydrophobicContact CB-CD2 4.04Å; Q89-L276 VanDerWaalsContact CG-C 3.49Å; Q89-L276 HydrophobicContact CG-CB 3.54Å; Q89-L276 HydrophobicContact CG-CD2 3.45Å; Q89-L276 VanDerWaalsContact CG-CD2 3.45Å; Q89-L276 HydrophobicContact CG-CG 4.09Å
90E69.5Low78.8Confident147 Ų14751.2 Ų51.269%0.68728%0.281SS*.Hα-helixtrans-63.5-39.8173.3-68.3173.4176.400111.1S88 V93 L94 L276S88-E90 VanDerWaalsContact C-N 3.33Å; S88-E90 PolarHBondContact O-N 3.45Å; E90-V93 PolarHBondContact O-N 3.5Å; E90-L94 PolarHBondContact O-N 2.88Å; E90-L94 VanDerWaalsContact O-N 3.12Å; E90-L276 HydrophobicContact CG-CD2 4.3Å
91Q76.2Confident78.7Confident43 Ų4355.5 Ų55.520%0.20130%0.304CS..Hα-helixtrans-65.8-37.8175.8-67.7174.2-22.500111.6F87 S88 Q89 L94 L95 L227F87-Q91 HydrophobicContact CB-CB 3.89Å; S88-Q91 WeakPolarHBondContact O-CB 3.41Å; S88-Q91 PolarHBondContact O-N 2.96Å; S88-Q91 VanDerWaalsContact O-N 3.11Å; S88-Q91 VanDerWaalsContact OG-CG 3.31Å; S88-Q91 WeakPolarHBondContact OG-CG 3.32Å; S88-Q91 PolarHBondContact OG-N 3.43Å; Q89-Q91 VanDerWaalsContact C-N 3.31Å; Q91-L94 PolarHBondContact O-N 2.91Å; Q91-L95 WeakPolarHBondContact O-CB 3.44Å; Q91-L95 VanDerWaalsContact O-CG 3.3Å; Q91-L95 WeakPolarHBondContact O-CG 3.49Å; Q91-L95 PolarHBondContact O-N 2.97Å; Q91-L227 HydrophobicContact CB-CD1 4.02Å; Q91-L227 HydrophobicContact CB-CD2 4.26Å; Q91-L227 HydrophobicContact CG-CD1 4.32Å; Q91-L227 HydrophobicContact CG-CD2 3.63Å
92I75.5Confident79Confident38 Ų3849.6 Ų49.620%0.19528%0.275CS..Hα-helixtrans-65.1-39.5175.5-66.8171.9000111.6F84 F87 S88 Q89 L95 S96F84-I92 HydrophobicContact CB-CG1 4.35Å; F84-I92 HydrophobicContact CD2-CG2 4.45Å; F87-I92 HydrophobicContact CB-CG1 3.99Å; S88-I92 WeakPolarHBondContact O-CG1 3.49Å; S88-I92 PolarHBondContact O-N 2.85Å; Q89-I92 PolarHBondContact O-N 3.4Å; I92-L95 PolarHBondContact O-N 3.44Å; I92-S96 WeakPolarHBondContact O-CB 3.31Å; I92-S96 PolarHBondContact O-N 2.86Å; I92-S96 PolarHBondContact O-OG 2.69Å
93V71.1Confident79.2Confident49 Ų4945.7 Ų45.730%0.29726%0.256SS..Hα-helixtrans-62.9-48.6175.8172.90000110.4Q89 E90 L95 S96 D97 L276Q89-V93 WeakPolarHBondContact O-CG2 3.36Å; Q89-V93 PolarHBondContact O-N 3.43Å; Q89-V93 VanDerWaalsContact O-N 3.1Å; E90-V93 PolarHBondContact O-N 3.5Å; V93-L95 VanDerWaalsContact C-N 3.33Å; V93-L95 PolarHBondContact O-N 3.45Å; V93-S96 PolarHBondContact O-N 3.47Å; V93-S96 VanDerWaalsContact O-N 3.12Å; V93-D97 PolarHBondContact O-N 2.98Å; V93-L276 HydrophobicContact CG2-CD2 4.45Å
94L74.6Confident79.5Confident83 Ų8346.8 Ų46.844%0.43526%0.258SS..Hα-helixtrans-57.6-45.3176.1-179.366.6000111.9E90 Q91 S96 D97 C98 I223E90-L94 PolarHBondContact O-N 2.88Å; E90-L94 VanDerWaalsContact O-N 3.12Å; Q91-L94 PolarHBondContact O-N 2.91Å; L94-S96 VanDerWaalsContact C-N 3.33Å; L94-S96 PolarHBondContact O-N 2.78Å; L94-D97 PolarHBondContact O-N 3.2Å; L94-C98 PolarHBondContact O-N 3.4Å; L94-C98 VanDerWaalsContact O-N 3.13Å; L94-C98 PolarHBondContact O-SG 3.13Å; L94-I223 HydrophobicContact CD2-CG2 3.92Å; L94-I223 HydrophobicContact CG-CG2 4.28Å
95L79Confident79.7Confident0 Ų046.6 Ų46.60%026%0.258CS..Hα-helixtrans-63.5-37.3176.9-76.8171.6000112.3F84 F87 Q91 I92 V93 C98 L99 F220 I223 Y224 L227F84-L95 HydrophobicContact CD1-CD1 4.31Å; F84-L95 HydrophobicContact CE1-CD1 4.24Å; F84-L95 HydrophobicContact CE2-CB 3.93Å; F84-L95 HydrophobicContact CE2-CD1 4.48Å; F84-L95 HydrophobicContact CG-CD1 4.49Å; F84-L95 HydrophobicContact CZ-CB 4.05Å; F84-L95 HydrophobicContact CZ-CD1 4.32Å; F87-L95 HydrophobicContact CD2-CD1 3.36Å; F87-L95 HydrophobicContact CE2-CD1 3.54Å; F87-L95 HydrophobicContact CG-CD1 4.03Å; F87-L95 HydrophobicContact CZ-CD1 4.31Å; Q91-L95 WeakPolarHBondContact O-CB 3.44Å; Q91-L95 VanDerWaalsContact O-CG 3.3Å; Q91-L95 WeakPolarHBondContact O-CG 3.49Å; Q91-L95 PolarHBondContact O-N 2.97Å; I92-L95 PolarHBondContact O-N 3.44Å; V93-L95 VanDerWaalsContact C-N 3.33Å; V93-L95 PolarHBondContact O-N 3.45Å; L95-C98 PolarHBondContact O-N 3.46Å; L95-L99 VanDerWaalsContact O-CB 3.25Å; L95-L99 WeakPolarHBondContact O-CB 3.2Å; L95-L99 PolarHBondContact O-N 2.96Å; L95-F220 HydrophobicContact CD2-CE2 4.29Å; L95-I223 HydrophobicContact CD2-CG2 4.1Å; L95-Y224 HydrophobicContact CD1-CD2 4.31Å; L95-Y224 HydrophobicContact CD2-CD2 4.02Å; L95-L227 HydrophobicContact CD1-CD1 3.93Å; L95-L227 HydrophobicContact CD2-CD1 4.03Å; L95-L227 HydrophobicContact CG-CD1 3.77Å
96S76Confident80Confident50 Ų5042.5 Ų42.535%0.3523%0.229SC..Hα-helixtrans-67.6-40.8179.7-60.30000112.2I92 V93 L94 L99 I100I92-S96 WeakPolarHBondContact O-CB 3.31Å; I92-S96 PolarHBondContact O-N 2.86Å; I92-S96 PolarHBondContact O-OG 2.69Å; V93-S96 PolarHBondContact O-N 3.47Å; V93-S96 VanDerWaalsContact O-N 3.12Å; L94-S96 VanDerWaalsContact C-N 3.33Å; L94-S96 PolarHBondContact O-N 2.78Å; S96-L99 WeakPolarHBondContact O-CB 3.27Å; S96-L99 PolarHBondContact O-N 3.18Å; S96-I100 PolarHBondContact O-N 2.97Å
97D73.6Confident80.5Confident71 Ų7138.6 Ų38.638%0.3821%0.205SC..Hα-helixtrans-65.5-42175.1-76.3-21.2000111.4V93 L94 L99 I100V93-D97 PolarHBondContact O-N 2.98Å; L94-D97 PolarHBondContact O-N 3.2Å; D97-L99 VanDerWaalsContact C-N 3.31Å; D97-L99 PolarHBondContact O-N 3.03Å; D97-I100 PolarHBondContact O-N 3.09Å
98C80.2Confident80.9Confident16 Ų1638 Ų3811%0.10820%0.203CC..Hα-helixtrans-64.6-36.5173.9-62.80000111.9L94 L95 I100 N101 Y102 F220 I223L94-C98 PolarHBondContact O-N 3.4Å; L94-C98 VanDerWaalsContact O-N 3.13Å; L94-C98 PolarHBondContact O-SG 3.13Å; L95-C98 PolarHBondContact O-N 3.46Å; C98-I100 VanDerWaalsContact C-N 3.31Å; C98-I100 PolarHBondContact O-N 3.49Å; C98-N101 PolarHBondContact O-N 3.15Å; C98-Y102 WeakPolarHBondContact O-CB 3.45Å; C98-Y102 PolarHBondContact O-N 2.96Å; C98-F220 HydrophobicContact CB-CB 4.45Å; C98-F220 HydrophobicContact CB-CD2 3.79Å; C98-I223 VanDerWaalsContact SG-CD1 3.59Å
99L85Confident81.5Confident11 Ų1138.6 Ų38.66%0.05820%0.199CC..Hα-helixtrans-64.3-33.2178.6-170.669.3000112.1Y44 L48 F76 L80 L95 S96 D97 Y102 T103 F220Y44-L99 WeakPolarHBondContact OH-CD1 3.45Å; L48-L99 HydrophobicContact CD1-CD1 3.84Å; F76-L99 HydrophobicContact CE1-CD2 4.05Å; L80-L99 HydrophobicContact CD1-CD2 3.78Å; L95-L99 VanDerWaalsContact O-CB 3.25Å; L95-L99 WeakPolarHBondContact O-CB 3.2Å; L95-L99 PolarHBondContact O-N 2.96Å; S96-L99 WeakPolarHBondContact O-CB 3.27Å; S96-L99 PolarHBondContact O-N 3.18Å; D97-L99 VanDerWaalsContact C-N 3.31Å; D97-L99 PolarHBondContact O-N 3.03Å; L99-Y102 HydrophobicContact CD1-CD1 4.24Å; L99-Y102 PolarHBondContact O-N 3.44Å; L99-T103 VanDerWaalsContact O-CB 3.29Å; L99-T103 WeakPolarHBondContact O-CB 3.33Å; L99-T103 PolarHBondContact O-N 3.27Å; L99-T103 PolarHBondContact O-OG1 2.93Å; L99-F220 HydrophobicContact CB-CE2 4.19Å; L99-F220 HydrophobicContact CD1-CE2 3.92Å; L99-F220 HydrophobicContact CD1-CZ 3.82Å
100I83.8Confident82.6Confident31 Ų3136.2 Ų36.216%0.15919%0.188CC..Hα-helixtrans-63-48174.4-69.7172.8000110.6S96 D97 C98 T103 W104 L190S96-I100 PolarHBondContact O-N 2.97Å; D97-I100 PolarHBondContact O-N 3.09Å; C98-I100 VanDerWaalsContact C-N 3.31Å; C98-I100 PolarHBondContact O-N 3.49Å; I100-T103 PolarHBondContact O-N 2.89Å; I100-W104 PolarHBondContact O-N 3.45Å; I100-L190 HydrophobicContact CG2-CD1 4.09Å; I100-L190 HydrophobicContact CG2-CD2 4.07Å
101N82.5Confident83.6Confident96 Ų9629.5 Ų29.551%0.51316%0.157SC..Hα-helixtrans-65.7-41.1177.9-72.5-25.4000111.8C98 W104 C105C98-N101 PolarHBondContact O-N 3.15Å; N101-W104 PolarHBondContact O-N 3.44Å; N101-C105 PolarHBondContact O-N 3.29Å; N101-C105 PolarHBondContact O-SG 3Å
102Y88.7Confident84.1Confident0 Ų029.9 Ų29.90%016%0.16CC..Hα-helixtrans-57.3-49.5171.8177.5-91.4000111.1Y44 R47 L48 D51 C98 L99 W104 C105 I106 I217 F220Y44-Y102 AromaticContact CE2-CD1 3.96Å; Y44-Y102 HydrophobicContact CE2-CD1 3.96Å; Y44-Y102 AromaticContact CE2-CE1 3.84Å; Y44-Y102 HydrophobicContact CE2-CE1 3.84Å; R47-Y102 VanDerWaalsContact C-OH 3.3Å; L48-Y102 WeakPolarHBondContact CA-OH 3.4Å; L48-Y102 HydrophobicContact CB-CE1 4.23Å; L48-Y102 HydrophobicContact CD1-CD1 4.32Å; L48-Y102 HydrophobicContact CD1-CE1 3.82Å; L48-Y102 PolarHBondContact N-OH 3.32Å; D51-Y102 WeakPolarHBondContact OD2-CE2 3.23Å; D51-Y102 PolarHBondContact OD2-OH 3.42Å; C98-Y102 WeakPolarHBondContact O-CB 3.45Å; C98-Y102 PolarHBondContact O-N 2.96Å; L99-Y102 HydrophobicContact CD1-CD1 4.24Å; L99-Y102 PolarHBondContact O-N 3.44Å; Y102-W104 VanDerWaalsContact C-N 3.34Å; Y102-W104 PolarHBondContact O-N 3.34Å; Y102-C105 WeakPolarHBondContact O-CB 3.34Å; Y102-C105 PolarHBondContact O-N 3.34Å; Y102-C105 VanDerWaalsContact O-N 3.12Å; Y102-I106 HydrophobicContact CD1-CG1 4.06Å; Y102-I106 HydrophobicContact CE1-CD1 4.4Å; Y102-I106 HydrophobicContact CE1-CG1 3.62Å; Y102-I106 HydrophobicContact CE2-CD1 4.2Å; Y102-I106 HydrophobicContact CE2-CG1 4.15Å; Y102-I106 HydrophobicContact CG-CG1 4.48Å; Y102-I106 WeakPolarHBondContact O-CG1 3.49Å; Y102-I106 PolarHBondContact O-N 2.91Å; Y102-I217 HydrophobicContact CD2-CG1 4.1Å; Y102-I217 HydrophobicContact CE2-CG1 4.18Å; Y102-I217 HydrophobicContact CE2-CG2 4.16Å; Y102-F220 HydrophobicContact CD2-CB 4.19Å; Y102-F220 AromaticContact CD2-CD1 3.76Å; Y102-F220 HydrophobicContact CD2-CD1 3.76Å; Y102-F220 HydrophobicContact CD2-CE1 4.5Å; Y102-F220 HydrophobicContact CD2-CG 4.14Å; Y102-F220 HydrophobicContact CE2-CD1 4.15Å; Y102-F220 HydrophobicContact CG-CD1 4.11Å; Y102-F220 HydrophobicContact CG-CG 4.3Å
103T89.9Confident84.6Confident0 Ų029.7 Ų29.70%016%0.162CC..Hα-helixtrans-60.2-43179.6-57.50000111.8Y44 L99 I100 C105 I106 L107 I141 F142 L190Y44-T103 HydrophobicContact CE2-CG2 4.01Å; Y44-T103 PolarHBondContact OH-OG1 2.71Å; Y44-T103 VanDerWaalsContact OH-OG1 3.05Å; L99-T103 VanDerWaalsContact O-CB 3.29Å; L99-T103 WeakPolarHBondContact O-CB 3.33Å; L99-T103 PolarHBondContact O-N 3.27Å; L99-T103 PolarHBondContact O-OG1 2.93Å; I100-T103 PolarHBondContact O-N 2.89Å; T103-C105 VanDerWaalsContact C-N 3.32Å; T103-C105 PolarHBondContact O-N 2.85Å; T103-I106 PolarHBondContact O-N 3.38Å; T103-L107 VanDerWaalsContact O-CB 3.28Å; T103-L107 WeakPolarHBondContact O-CB 3.27Å; T103-L107 PolarHBondContact O-N 3.45Å; T103-I141 HydrophobicContact CG2-CG2 4.44Å; T103-F142 HydrophobicContact CG2-CE1 3.55Å; T103-F142 HydrophobicContact CG2-CZ 3.58Å; T103-L190 HydrophobicContact CG2-CD1 4.21Å
104W89.7Confident85.5Confident37 Ų3727.8 Ų27.814%0.1415%0.15CC..Hα-helixtrans-60-43.3175.9-170.997.3000111.4I100 N101 Y102 L107 Y108 L190 S193 V194 V211I100-W104 PolarHBondContact O-N 3.45Å; N101-W104 PolarHBondContact O-N 3.44Å; Y102-W104 VanDerWaalsContact C-N 3.34Å; Y102-W104 PolarHBondContact O-N 3.34Å; W104-L107 PolarHBondContact O-N 2.89Å; W104-Y108 AromaticContact CH2-CD2 3.46Å; W104-Y108 HydrophobicContact CH2-CD2 3.46Å; W104-Y108 VanDerWaalsContact CH2-CD2 3.46Å; W104-Y108 HydrophobicContact CH2-CE2 4.08Å; W104-Y108 AromaticContact CH2-CG 3.95Å; W104-Y108 HydrophobicContact CH2-CG 3.95Å; W104-Y108 HydrophobicContact CZ2-CD2 4.05Å; W104-Y108 HydrophobicContact CZ3-CD2 4Å; W104-Y108 HydrophobicContact CZ3-CG 4Å; W104-Y108 WeakPolarHBondContact O-CB 3.3Å; W104-Y108 PolarHBondContact O-N 2.82Å; W104-L190 HydrophobicContact CB-CD1 4.44Å; W104-L190 HydrophobicContact CB-CD2 4.45Å; W104-S193 PolarHBondContact NE1-OG 3.24Å; W104-V194 HydrophobicContact CD2-CG2 3.96Å; W104-V194 HydrophobicContact CG-CG2 4Å; W104-V194 HydrophobicContact CZ2-CG2 4Å; W104-V211 HydrophobicContact CH2-CG1 4.26Å; W104-V211 HydrophobicContact CZ3-CG1 3.73Å
105C88.7Confident86.1Confident7 Ų724.7 Ų24.75%0.04713%0.134CC..Hα-helixtrans-63.8-48.7178.6-70.60000112.4N101 Y102 T103 L107 Y108 E109 I213 I217N101-C105 PolarHBondContact O-N 3.29Å; N101-C105 PolarHBondContact O-SG 3Å; Y102-C105 WeakPolarHBondContact O-CB 3.34Å; Y102-C105 PolarHBondContact O-N 3.34Å; Y102-C105 VanDerWaalsContact O-N 3.12Å; T103-C105 VanDerWaalsContact C-N 3.32Å; T103-C105 PolarHBondContact O-N 2.85Å; C105-L107 VanDerWaalsContact C-N 3.31Å; C105-L107 PolarHBondContact O-N 3.48Å; C105-Y108 PolarHBondContact O-N 3.48Å; C105-E109 PolarHBondContact O-N 3.18Å; C105-I213 HydrophobicContact CB-CG2 4.12Å; C105-I217 HydrophobicContact CB-CG1 4.38Å
106I90.8Very high86.4Confident1 Ų130 Ų301%0.00517%0.166CC..Hα-helixtrans-64.6-37.1178.4-59-59.1000111.2F40 F43 Y44 R47 Y102 T103 F110 I217F40-I106 HydrophobicContact CE2-CG2 4.1Å; F43-I106 HydrophobicContact CD1-CG2 3.97Å; F43-I106 HydrophobicContact CE1-CG2 3.66Å; Y44-I106 HydrophobicContact CD2-CB 4.13Å; Y44-I106 HydrophobicContact CD2-CG2 3.91Å; R47-I106 HydrophobicContact CB-CD1 4.33Å; R47-I106 HydrophobicContact CB-CG2 4.5Å; Y102-I106 HydrophobicContact CD1-CG1 4.06Å; Y102-I106 HydrophobicContact CE1-CD1 4.4Å; Y102-I106 HydrophobicContact CE1-CG1 3.62Å; Y102-I106 HydrophobicContact CE2-CD1 4.2Å; Y102-I106 HydrophobicContact CE2-CG1 4.15Å; Y102-I106 HydrophobicContact CG-CG1 4.48Å; Y102-I106 WeakPolarHBondContact O-CG1 3.49Å; Y102-I106 PolarHBondContact O-N 2.91Å; T103-I106 PolarHBondContact O-N 3.38Å; I106-F110 WeakPolarHBondContact O-CB 3.2Å; I106-F110 PolarHBondContact O-N 2.97Å; I106-I217 HydrophobicContact CD1-CD1 3.89Å; I106-I217 HydrophobicContact CD1-CG1 4.43Å
107L91.6Very high86.9Confident1 Ų131.3 Ų31.31%0.00517%0.167CC..Hα-helixtrans-66-41.7174.4-176.758000112V24 F40 T103 W104 C105 F110 C111 F142 N191 V194V24-L107 HydrophobicContact CG1-CD1 3.86Å; V24-L107 HydrophobicContact CG1-CD2 4.01Å; F40-L107 HydrophobicContact CD1-CD1 3.95Å; F40-L107 HydrophobicContact CD2-CD1 3.74Å; F40-L107 HydrophobicContact CE1-CB 4.45Å; F40-L107 HydrophobicContact CE1-CD1 3.87Å; F40-L107 HydrophobicContact CE2-CB 3.8Å; F40-L107 HydrophobicContact CE2-CD1 3.67Å; F40-L107 HydrophobicContact CE2-CG 4.35Å; F40-L107 HydrophobicContact CG-CD1 3.87Å; F40-L107 HydrophobicContact CZ-CB 3.65Å; F40-L107 HydrophobicContact CZ-CD1 3.73Å; F40-L107 HydrophobicContact CZ-CG 4.21Å; T103-L107 VanDerWaalsContact O-CB 3.28Å; T103-L107 WeakPolarHBondContact O-CB 3.27Å; T103-L107 PolarHBondContact O-N 3.45Å; W104-L107 PolarHBondContact O-N 2.89Å; C105-L107 VanDerWaalsContact C-N 3.31Å; C105-L107 PolarHBondContact O-N 3.48Å; L107-F110 PolarHBondContact O-N 3.35Å; L107-C111 WeakPolarHBondContact O-CB 3.47Å; L107-C111 PolarHBondContact O-N 3.15Å; L107-C111 PolarHBondContact O-SG 2.95Å; L107-F142 HydrophobicContact CD2-CD1 4.19Å; L107-F142 HydrophobicContact CD2-CE1 4.19Å; L107-N191 HydrophobicContact CD2-CB 4.25Å; L107-V194 HydrophobicContact CB-CG2 4.33Å; L107-V194 HydrophobicContact CD2-CB 4.3Å; L107-V194 HydrophobicContact CD2-CG2 4.04Å; L107-V194 HydrophobicContact CG-CB 4.31Å; L107-V194 HydrophobicContact CG-CG1 4.24Å; L107-V194 HydrophobicContact CG-CG2 4.11Å
108Y90.1Very high87.7Confident4 Ų428.6 Ų28.62%0.01615%0.152CC..Hα-helixtrans-61-46.5175.4-173.5-86.2000111.8W104 C105 F110 C111 L112 V194 Q197 L198 F201 V211 I213W104-Y108 AromaticContact CH2-CD2 3.46Å; W104-Y108 HydrophobicContact CH2-CD2 3.46Å; W104-Y108 VanDerWaalsContact CH2-CD2 3.46Å; W104-Y108 HydrophobicContact CH2-CE2 4.08Å; W104-Y108 AromaticContact CH2-CG 3.95Å; W104-Y108 HydrophobicContact CH2-CG 3.95Å; W104-Y108 HydrophobicContact CZ2-CD2 4.05Å; W104-Y108 HydrophobicContact CZ3-CD2 4Å; W104-Y108 HydrophobicContact CZ3-CG 4Å; W104-Y108 WeakPolarHBondContact O-CB 3.3Å; W104-Y108 PolarHBondContact O-N 2.82Å; C105-Y108 PolarHBondContact O-N 3.48Å; Y108-F110 PolarHBondContact O-N 2.75Å; Y108-C111 PolarHBondContact O-N 3.14Å; Y108-L112 HydrophobicContact CE1-CD2 4.19Å; Y108-L112 WeakPolarHBondContact O-CB 3.42Å; Y108-L112 PolarHBondContact O-N 3.34Å; Y108-V194 HydrophobicContact CD2-CG1 4.13Å; Y108-Q197 HydrophobicContact CE2-CG 4.26Å; Y108-L198 HydrophobicContact CD2-CD2 4.13Å; Y108-L198 HydrophobicContact CD2-CG 4.14Å; Y108-L198 HydrophobicContact CE1-CD2 4.33Å; Y108-L198 HydrophobicContact CE2-CD2 3.49Å; Y108-L198 VanDerWaalsContact CE2-CD2 3.49Å; Y108-L198 HydrophobicContact CE2-CG 3.82Å; Y108-F201 HydrophobicContact CE2-CE2 4.35Å; Y108-F201 VanDerWaalsContact OH-CE2 3.26Å; Y108-F201 WeakPolarHBondContact OH-CE2 3.45Å; Y108-V211 HydrophobicContact CE1-CG2 4.45Å; Y108-I213 HydrophobicContact CD1-CD1 3.68Å; Y108-I213 HydrophobicContact CE1-CD1 4.07Å
109E87.7Confident88.1Confident67 Ų6733.5 Ų33.531%0.31318%0.181SC..Hα-helixtrans-58.5-47.6175.7-73.6-171164.900112.1C105 L112 S113 I213C105-E109 PolarHBondContact O-N 3.18Å; E109-L112 PolarHBondContact O-N 2.86Å; E109-S113 PolarHBondContact O-N 3.49Å; E109-S113 VanDerWaalsContact O-N 3.08Å; E109-I213 HydrophobicContact CG-CD1 4.22Å; E109-I213 HydrophobicContact CG-CG2 3.99Å; E109-I213 WeakPolarHBondContact OE1-CG2 3.31Å
110F90.5Very high88.3Confident9 Ų940.9 Ų40.94%0.03922%0.215CC..Hα-helixtrans-59.8-52.4177.9175.1-90.5000111.6F30 F40 F43 I106 L107 Y108 L112 S113 R114F30-F110 HydrophobicContact CB-CE2 3.88Å; F30-F110 HydrophobicContact CB-CZ 4.29Å; F30-F110 AromaticContact CD1-CD2 3.39Å; F30-F110 HydrophobicContact CD1-CD2 3.39Å; F30-F110 AromaticContact CD1-CE2 3.19Å; F30-F110 HydrophobicContact CD1-CE2 3.19Å; F30-F110 HydrophobicContact CD1-CZ 4.23Å; F30-F110 HydrophobicContact CD2-CE2 4.45Å; F30-F110 AromaticContact CE1-CD2 3.32Å; F30-F110 HydrophobicContact CE1-CD2 3.32Å; F30-F110 AromaticContact CE1-CE2 3.66Å; F30-F110 HydrophobicContact CE1-CE2 3.66Å; F30-F110 HydrophobicContact CE1-CG 4.22Å; F30-F110 HydrophobicContact CG-CD2 4.16Å; F30-F110 AromaticContact CG-CE2 3.61Å; F30-F110 HydrophobicContact CG-CE2 3.61Å; F30-F110 HydrophobicContact CG-CZ 4.24Å; F30-F110 HydrophobicContact CZ-CD2 4.15Å; F40-F110 HydrophobicContact CB-CD1 3.88Å; F40-F110 HydrophobicContact CB-CD2 4.24Å; F40-F110 HydrophobicContact CB-CE1 3.73Å; F40-F110 HydrophobicContact CB-CE2 4.08Å; F40-F110 HydrophobicContact CB-CG 4.16Å; F40-F110 HydrophobicContact CB-CZ 3.84Å; F40-F110 HydrophobicContact CD2-CB 3.67Å; F40-F110 AromaticContact CD2-CD1 3.85Å; F40-F110 HydrophobicContact CD2-CD1 3.85Å; F40-F110 HydrophobicContact CD2-CD2 4.07Å; F40-F110 AromaticContact CD2-CG 3.59Å; F40-F110 HydrophobicContact CD2-CG 3.59Å; F40-F110 HydrophobicContact CE2-CB 4.15Å; F40-F110 HydrophobicContact CG-CD1 4.23Å; F40-F110 HydrophobicContact CG-CG 4.33Å; F43-F110 HydrophobicContact CB-CD2 4.25Å; F43-F110 HydrophobicContact CD1-CB 4.02Å; F43-F110 AromaticContact CD1-CD2 3.92Å; F43-F110 HydrophobicContact CD1-CD2 3.92Å; F43-F110 HydrophobicContact CD1-CG 4.41Å; F43-F110 HydrophobicContact CE1-CB 4.09Å; F43-F110 HydrophobicContact CG-CD2 4.21Å; I106-F110 WeakPolarHBondContact O-CB 3.2Å; I106-F110 PolarHBondContact O-N 2.97Å; L107-F110 PolarHBondContact O-N 3.35Å; Y108-F110 PolarHBondContact O-N 2.75Å; F110-L112 VanDerWaalsContact C-N 3.33Å; F110-L112 PolarHBondContact O-N 2.84Å; F110-S113 PolarHBondContact O-N 3.37Å; F110-R114 WeakPolarHBondContact O-CB 3.45Å; F110-R114 PolarHBondContact O-N 3.34Å
111C89.8Confident88.7Confident5 Ų539.5 Ų39.53%0.03421%0.209CC..Hα-helixtrans-65.7-35.9-177.8-72.80000112.3L107 Y108 R114 L115 V194 L198L107-C111 WeakPolarHBondContact O-CB 3.47Å; L107-C111 PolarHBondContact O-N 3.15Å; L107-C111 PolarHBondContact O-SG 2.95Å; Y108-C111 PolarHBondContact O-N 3.14Å; C111-R114 PolarHBondContact O-N 3.18Å; C111-L115 WeakPolarHBondContact O-CG 3.32Å; C111-L115 PolarHBondContact O-N 3.08Å; C111-V194 HydrophobicContact CB-CG1 4.17Å; C111-L198 HydrophobicContact CB-CD1 3.27Å
112L87.5Confident89.1Confident52 Ų5239.8 Ų39.827%0.27221%0.205SC..Hα-helixtrans-63.6-45.6176.2179.864.7000111.7Y108 E109 F110 L115 L198 F208Y108-L112 HydrophobicContact CE1-CD2 4.19Å; Y108-L112 WeakPolarHBondContact O-CB 3.42Å; Y108-L112 PolarHBondContact O-N 3.34Å; E109-L112 PolarHBondContact O-N 2.86Å; F110-L112 VanDerWaalsContact C-N 3.33Å; F110-L112 PolarHBondContact O-N 2.84Å; L112-L115 WeakPolarHBondContact O-CB 3.28Å; L112-L115 PolarHBondContact O-N 3.31Å; L112-L198 HydrophobicContact CB-CD2 4.24Å; L112-L198 HydrophobicContact CD1-CD2 3.94Å; L112-F208 HydrophobicContact CD1-CE1 3.71Å; L112-F208 HydrophobicContact CD1-CZ 3.82Å; L112-F208 HydrophobicContact CD2-CE1 3.8Å; L112-F208 HydrophobicContact CD2-CZ 4.47Å; L112-F208 HydrophobicContact CG-CE1 4.4Å
113S86.5Confident89.2Confident34 Ų3443.5 Ų43.524%0.23823%0.231CC..Hα-helixtrans-69.5-38.1177.1177.30000111.1F30 E109 F110 L115 T116 Q117F30-S113 WeakPolarHBondContact CE2-OG 3.36Å; F30-S113 VanDerWaalsContact CZ-CB 3.42Å; F30-S113 VanDerWaalsContact CZ-OG 3.23Å; F30-S113 WeakPolarHBondContact CZ-OG 3.3Å; E109-S113 PolarHBondContact O-N 3.49Å; E109-S113 VanDerWaalsContact O-N 3.08Å; F110-S113 PolarHBondContact O-N 3.37Å; S113-L115 VanDerWaalsContact C-N 3.3Å; S113-L115 PolarHBondContact O-N 3.45Å; S113-T116 PolarHBondContact O-N 3.42Å; S113-T116 PolarHBondContact O-OG1 2.94Å; S113-Q117 PolarHBondContact O-N 3.4Å; S113-Q117 PolarHBondContact OG-NE2 3.45Å; S113-Q117 VanDerWaalsContact OG-NE2 3.15Å
114R89.3Confident89.4Confident9 Ų945.9 Ų45.93%0.03424%0.244CC..Hα-helixtrans-59.2-37.4172.4-172.4174.7177-162.6-4.8112.3P21 Y28 F30 F110 C111 T116 Q117 D118 F121P21-R114 PolarHBondContact O-NH1 3.28Å; P21-R114 PolarHBondContact O-NH2 3.4Å; Y28-R114 HydrophobicContact CD1-CG 4.48Å; Y28-R114 HydrophobicContact CE1-CG 4.29Å; F30-R114 HydrophobicContact CD2-CB 4.42Å; F30-R114 HydrophobicContact CE2-CB 4.36Å; F110-R114 WeakPolarHBondContact O-CB 3.45Å; F110-R114 PolarHBondContact O-N 3.34Å; C111-R114 PolarHBondContact O-N 3.18Å; R114-T116 PolarHBondContact O-N 3.21Å; R114-T116 VanDerWaalsContact O-N 3.13Å; R114-Q117 PolarHBondContact O-N 2.99Å; R114-Q117 VanDerWaalsContact O-N 3.09Å; R114-D118 HydrophobicContact CG-CB 3.79Å; R114-D118 IonicContact CZ-OD2 3.65Å; R114-D118 IonicContact NE-OD2 2.69Å; R114-D118 PolarHBondContact NE-OD2 2.94Å; R114-D118 IonicContact NH2-OD2 2.75Å; R114-D118 PolarHBondContact NH2-OD2 3.01Å; R114-D118 WeakPolarHBondContact O-CB 3.22Å; R114-D118 PolarHBondContact O-N 3.1Å; R114-F121 HydrophobicContact CG-CD1 4.11Å; R114-F121 HydrophobicContact CG-CG 4.25Å; R114-F121 VanDerWaalsContact CZ-CD2 3.47Å
115L87Confident89.5Confident18 Ų1844.1 Ų44.19%0.09424%0.237CC..Hα-helixtrans-58.7-23.9173.8-79.2169.4000114C111 L112 S113 F121 K122 L125 L198 I202C111-L115 WeakPolarHBondContact O-CG 3.32Å; C111-L115 PolarHBondContact O-N 3.08Å; L112-L115 WeakPolarHBondContact O-CB 3.28Å; L112-L115 PolarHBondContact O-N 3.31Å; S113-L115 VanDerWaalsContact C-N 3.3Å; S113-L115 PolarHBondContact O-N 3.45Å; L115-F121 HydrophobicContact CD2-CD1 3.8Å; L115-F121 HydrophobicContact CD2-CE1 3.85Å; L115-F121 HydrophobicContact CG-CD1 4.16Å; L115-F121 HydrophobicContact CG-CE1 3.92Å; L115-K122 HydrophobicContact CD2-CB 3.83Å; L115-K122 HydrophobicContact CD2-CG 3.97Å; L115-L125 HydrophobicContact CD2-CD2 4.37Å; L115-L198 HydrophobicContact CD1-CB 3.96Å; L115-L198 HydrophobicContact CD1-CD1 4.09Å; L115-L198 HydrophobicContact CD1-CD2 4.11Å; L115-L198 HydrophobicContact CD1-CG 4.29Å; L115-I202 HydrophobicContact CD1-CD1 4.36Å; L115-I202 HydrophobicContact CD1-CG1 4.43Å; L115-I202 HydrophobicContact CD2-CD1 3.65Å; L115-I202 HydrophobicContact CD2-CG1 4.31Å
116T85Confident89.5Confident112 Ų11245.4 Ų45.469%0.68725%0.248SC*.Hα-helixtrans-88.3-25177.569.40000113.1S113 R114S113-T116 PolarHBondContact O-N 3.42Å; S113-T116 PolarHBondContact O-OG1 2.94Å; R114-T116 PolarHBondContact O-N 3.21Å; R114-T116 VanDerWaalsContact O-N 3.13Å
117Q87.6Confident89.5Confident77 Ų7749.3 Ų49.336%0.3628%0.275SS..Hα-helixtrans-101.9-29.5-174.9-60.5-178.240.800113.4N31 S113 R114N31-Q117 PolarHBondContact O-NE2 3.14Å; S113-Q117 PolarHBondContact O-N 3.4Å; S113-Q117 PolarHBondContact OG-NE2 3.45Å; S113-Q117 VanDerWaalsContact OG-NE2 3.15Å; R114-Q117 PolarHBondContact O-N 2.99Å; R114-Q117 VanDerWaalsContact O-N 3.09Å
118D88.9Confident89.4Confident14 Ų1450.4 Ų50.48%0.07528%0.281CS..  trans-113.992.8-172.9-172.1-14000110.4Y28 R114 E120 F121 K122Y28-D118 HydrophobicContact CE1-CB 4.2Å; Y28-D118 HydrophobicContact CE2-CB 4.47Å; Y28-D118 WeakPolarHBondContact CE2-OD2 3.29Å; Y28-D118 WeakPolarHBondContact OH-CB 3.05Å; R114-D118 HydrophobicContact CG-CB 3.79Å; R114-D118 IonicContact CZ-OD2 3.65Å; R114-D118 IonicContact NE-OD2 2.69Å; R114-D118 PolarHBondContact NE-OD2 2.94Å; R114-D118 IonicContact NH2-OD2 2.75Å; R114-D118 PolarHBondContact NH2-OD2 3.01Å; R114-D118 WeakPolarHBondContact O-CB 3.22Å; R114-D118 PolarHBondContact O-N 3.1Å; D118-E120 PolarHBondContact O-N 2.93Å; D118-E120 PolarHBondContact OD1-N 3.22Å; D118-F121 HydrophobicContact CB-CB 3.78Å; D118-F121 PolarHBondContact O-N 3.35Å; D118-F121 PolarHBondContact OD1-N 3.26Å; D118-F121 VanDerWaalsContact OD2-CB 3.28Å; D118-F121 WeakPolarHBondContact OD2-CB 3.36Å; D118-K122 PolarHBondContact O-N 2.73Å
119V88.9Confident89Confident119 Ų11959.3 Ų59.372%0.72132%0.315SS*.Hα-helixtrans-62-33-180179.50000111.4S123V119-S123 WeakPolarHBondContact O-CB 3.39Å; V119-S123 PolarHBondContact O-N 3.42Å
120E90.8Very high88.7Confident165 Ų16558 Ų5877%0.77132%0.319SS*.Hα-helixtrans-70.7-44.4179.3-65.7-173.7176.100110.9D118 K122 S123 L124D118-E120 PolarHBondContact O-N 2.93Å; D118-E120 PolarHBondContact OD1-N 3.22Å; E120-K122 VanDerWaalsContact C-N 3.34Å; E120-K122 PolarHBondContact O-N 3.35Å; E120-S123 PolarHBondContact O-N 3.09Å; E120-L124 VanDerWaalsContact O-CB 3.32Å; E120-L124 WeakPolarHBondContact O-CB 3.36Å; E120-L124 PolarHBondContact O-N 3.48Å
121F91.9Very high88.6Confident3 Ų358.9 Ų58.91%0.01332%0.324CS..Hα-helixtrans-58.9-44.7173.1177.6-96.5000111.9L22 R114 L115 D118 S123 L124 L125 L195L22-F121 HydrophobicContact CD2-CD2 3.65Å; L22-F121 HydrophobicContact CD2-CE2 3.41Å; L22-F121 VanDerWaalsContact CD2-CE2 3.41Å; L22-F121 HydrophobicContact CD2-CZ 4.23Å; R114-F121 HydrophobicContact CG-CD1 4.11Å; R114-F121 HydrophobicContact CG-CG 4.25Å; R114-F121 VanDerWaalsContact CZ-CD2 3.47Å; L115-F121 HydrophobicContact CD2-CD1 3.8Å; L115-F121 HydrophobicContact CD2-CE1 3.85Å; L115-F121 HydrophobicContact CG-CD1 4.16Å; L115-F121 HydrophobicContact CG-CE1 3.92Å; D118-F121 HydrophobicContact CB-CB 3.78Å; D118-F121 PolarHBondContact O-N 3.35Å; D118-F121 PolarHBondContact OD1-N 3.26Å; D118-F121 VanDerWaalsContact OD2-CB 3.28Å; D118-F121 WeakPolarHBondContact OD2-CB 3.36Å; F121-S123 PolarHBondContact O-N 3.21Å; F121-L124 PolarHBondContact O-N 3.04Å; F121-L125 HydrophobicContact CE1-CD2 4.47Å; F121-L125 WeakPolarHBondContact O-CB 3.38Å; F121-L125 PolarHBondContact O-N 2.78Å; F121-L195 HydrophobicContact CE2-CD2 4.11Å; F121-L195 HydrophobicContact CZ-CD2 3.56Å
122K91Very high88.6Confident101 Ų10158.7 Ų58.744%0.43932%0.323SS..Hα-helixtrans-60.7-45.2176-176.7173.4-179.1174.90111.9L115 D118 E120 A126 I202L115-K122 HydrophobicContact CD2-CB 3.83Å; L115-K122 HydrophobicContact CD2-CG 3.97Å; D118-K122 PolarHBondContact O-N 2.73Å; E120-K122 VanDerWaalsContact C-N 3.34Å; E120-K122 PolarHBondContact O-N 3.35Å; K122-A126 WeakPolarHBondContact O-CB 3.22Å; K122-A126 PolarHBondContact O-N 3.05Å; K122-A126 VanDerWaalsContact O-N 3.09Å; K122-I202 HydrophobicContact CG-CD1 4.42Å
123S90.8Very high88.8Confident79 Ų7956.2 Ų56.255%0.55231%0.31SS*.Hα-helixtrans-65.8-42.2178.4-172.80000112.1V119 E120 F121 A126 S127V119-S123 WeakPolarHBondContact O-CB 3.39Å; V119-S123 PolarHBondContact O-N 3.42Å; E120-S123 PolarHBondContact O-N 3.09Å; F121-S123 PolarHBondContact O-N 3.21Å; S123-A126 PolarHBondContact O-N 2.84Å; S123-S127 PolarHBondContact O-N 3.41Å; S123-S127 VanDerWaalsContact O-N 3.09Å
124L92.8Very high89.1Confident50 Ų5054.6 Ų54.626%0.26230%0.298SS..Hα-helixtrans-63.2-48.7178.8-179.961.1000111P21 L22 E120 F121 A126 S127P21-L124 HydrophobicContact CB-CD2 4.08Å; P21-L124 HydrophobicContact CG-CD2 4.32Å; L22-L124 HydrophobicContact CD1-CD2 4.36Å; L22-L124 HydrophobicContact CD1-CG 4.41Å; L22-L124 HydrophobicContact CD2-CD2 4.05Å; L22-L124 HydrophobicContact CD2-CG 4.37Å; L22-L124 HydrophobicContact CG-CD2 3.88Å; L22-L124 HydrophobicContact CG-CG 4.38Å; E120-L124 VanDerWaalsContact O-CB 3.32Å; E120-L124 WeakPolarHBondContact O-CB 3.36Å; E120-L124 PolarHBondContact O-N 3.48Å; F121-L124 PolarHBondContact O-N 3.04Å; L124-A126 VanDerWaalsContact C-N 3.33Å; L124-A126 PolarHBondContact O-N 3.23Å; L124-S127 PolarHBondContact O-N 3.37Å; L124-S127 VanDerWaalsContact O-N 3.15Å; L124-S127 PolarHBondContact O-OG 2.73Å
125L92.2Very high89.3Confident0 Ų054.1 Ų54.10%030%0.297CS..Hα-helixtrans-63.8-38.5179.6-173.957.9000112.1L115 F121 S127 L128 L133 L195 L198 R199 I202L115-L125 HydrophobicContact CD2-CD2 4.37Å; F121-L125 HydrophobicContact CE1-CD2 4.47Å; F121-L125 WeakPolarHBondContact O-CB 3.38Å; F121-L125 PolarHBondContact O-N 2.78Å; L125-S127 VanDerWaalsContact C-N 3.3Å; L125-S127 PolarHBondContact O-N 2.93Å; L125-L128 PolarHBondContact O-N 3.3Å; L125-L133 HydrophobicContact CD1-CD1 3.69Å; L125-L195 HydrophobicContact CD1-CB 4.03Å; L125-L195 HydrophobicContact CD1-CD2 4.45Å; L125-L195 HydrophobicContact CD2-CD2 4.24Å; L125-L198 HydrophobicContact CD2-CB 4.35Å; L125-R199 HydrophobicContact CD1-CB 4.04Å; L125-R199 HydrophobicContact CD1-CG 4.43Å; L125-R199 HydrophobicContact CD2-CB 4.31Å; L125-R199 HydrophobicContact CG-CB 3.91Å; L125-R199 HydrophobicContact CG-CG 4.27Å; L125-R199 VanDerWaalsContact O-CD 3.24Å; L125-R199 WeakPolarHBondContact O-CD 3.46Å; L125-R199 WeakPolarHBondContact O-CG 3.3Å; L125-I202 HydrophobicContact CB-CD1 4.26Å; L125-I202 HydrophobicContact CD2-CD1 3.94Å; L125-I202 HydrophobicContact CG-CD1 4.11Å
126A89.6Confident89.5Confident34 Ų3453.4 Ų53.428%0.28129%0.293SS..Hα-helixtrans-64-33.4175.400000112.8K122 S123 L124 L128 I202K122-A126 WeakPolarHBondContact O-CB 3.22Å; K122-A126 PolarHBondContact O-N 3.05Å; K122-A126 VanDerWaalsContact O-N 3.09Å; S123-A126 PolarHBondContact O-N 2.84Å; L124-A126 VanDerWaalsContact C-N 3.33Å; L124-A126 PolarHBondContact O-N 3.23Å; A126-L128 VanDerWaalsContact C-N 3.31Å; A126-L128 PolarHBondContact O-N 2.82Å; A126-I202 HydrophobicContact CB-CG2 4.08Å
127S90.7Very high89.6Confident82 Ų8252.4 Ų52.457%0.57328%0.283SS*.Hα-helixtrans-69.2-25.9-178.577.40000113.9S123 L124 L125 R129S123-S127 PolarHBondContact O-N 3.41Å; S123-S127 VanDerWaalsContact O-N 3.09Å; L124-S127 PolarHBondContact O-N 3.37Å; L124-S127 VanDerWaalsContact O-N 3.15Å; L124-S127 PolarHBondContact O-OG 2.73Å; L125-S127 VanDerWaalsContact C-N 3.3Å; L125-S127 PolarHBondContact O-N 2.93Å; S127-R129 PolarHBondContact O-N 3.21Å; S127-R129 VanDerWaalsContact O-N 3.08Å
128L89.3Confident89.4Confident25 Ų2548.9 Ų48.913%0.13127%0.268CS..SBendtrans-86.441.8-176.4-61.7172.6000112.3T13 L22 L125 A126 G130 N131 L133 R199T13-L128 HydrophobicContact CG2-CD1 4.25Å; T13-L128 HydrophobicContact CG2-CD2 4.07Å; L22-L128 HydrophobicContact CD1-CD1 3.6Å; L125-L128 PolarHBondContact O-N 3.3Å; A126-L128 VanDerWaalsContact C-N 3.31Å; A126-L128 PolarHBondContact O-N 2.82Å; L128-G130 PolarHBondContact O-N 3.12Å; L128-N131 PolarHBondContact O-N 3.22Å; L128-L133 HydrophobicContact CB-CD2 4.17Å; L128-L133 HydrophobicContact CD1-CD2 3.75Å; L128-R199 PolarHBondContact O-NH1 2.93Å
129R81.5Confident89.1Confident190 Ų19049.2 Ų49.272%0.71727%0.27SS*.THydrogen-bonded Turntrans-65.1124.3-171.6-165.1176.9-175.7174.23.3111.7S127 N131S127-R129 PolarHBondContact O-N 3.21Å; S127-R129 VanDerWaalsContact O-N 3.08Å; R129-N131 VanDerWaalsContact C-N 3.32Å; R129-N131 PolarHBondContact O-N 2.83Å
130G81.8Confident88.7Confident39 Ų3945.9 Ų45.940%0.40225%0.245SC..THydrogen-bonded Turntrans90.7-22.9176.200000115.2L128 K165L128-G130 PolarHBondContact O-N 3.12Å; G130-K165 PolarHBondContact O-NZ 2.98Å
131N88.7Confident88.4Confident28 Ų2839.7 Ų39.715%0.1522%0.217CC..PPolyproline II helixtrans-67.2143.7-177.8-61.57.7000111.8I11 T13 L128 R129 L133 R199I11-N131 HydrophobicContact CG2-CB 4.37Å; I11-N131 WeakPolarHBondContact CG2-OD1 3.15Å; I11-N131 CarbonylContact O-C 3.02Å; I11-N131 VanDerWaalsContact O-CA 3.27Å; I11-N131 WeakPolarHBondContact O-CA 3.29Å; T13-N131 WeakPolarHBondContact OG1-CB 3.09Å; T13-N131 PolarHBondContact OG1-ND2 3.39Å; L128-N131 PolarHBondContact O-N 3.22Å; R129-N131 VanDerWaalsContact C-N 3.32Å; R129-N131 PolarHBondContact O-N 2.83Å; N131-L133 HydrophobicContact CB-CD2 4.46Å; N131-R199 VanDerWaalsContact O-CZ 3.22Å; N131-R199 PolarHBondContact O-NH1 3.27Å; N131-R199 PolarHBondContact O-NH2 3.2Å
132I88.5Confident88.3Confident1 Ų139.5 Ų39.51%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-83.5120168.5-56.7177.1000107.8V10 I11 V12 T13 I134 K165 L168 F172 M196V10-I132 HydrophobicContact CG1-CD1 3.52Å; V10-I132 HydrophobicContact CG1-CG1 4.42Å; I11-I132 PolarHBondContact O-N 3.21Å; V12-I132 CarbonylContact C-O 3.49Å; V12-I132 WeakPolarHBondContact CA-O 3.43Å; V12-I132 HydrophobicContact CG2-CB 4.44Å; T13-I132 PolarHBondContact N-O 3Å; I132-I134 HydrophobicContact CG2-CD1 4.39Å; I132-I134 HydrophobicContact CG2-CG1 4.09Å; I132-K165 HydrophobicContact CD1-CB 4.48Å; I132-K165 HydrophobicContact CD1-CG 3.99Å; I132-L168 HydrophobicContact CB-CD2 4.42Å; I132-L168 HydrophobicContact CD1-CB 4.18Å; I132-L168 HydrophobicContact CD1-CD2 3.47Å; I132-L168 VanDerWaalsContact CD1-CD2 3.47Å; I132-L168 HydrophobicContact CD1-CG 4.37Å; I132-L168 HydrophobicContact CG2-CD2 4.08Å; I132-F172 HydrophobicContact CG2-CE2 4.05Å; I132-M196 HydrophobicContact CB-SD 4.33Å; I132-M196 HydrophobicContact CG2-CE 4.14Å; I132-M196 HydrophobicContact CG2-SD 3.98Å
133L92.9Very high88.1Confident0 Ų034.7 Ų34.70%020%0.195CC..EExtended strand (participates in β ladder)trans-88.9126-178.6-55.7-177.9000108.2T13 I15 L125 L128 N131 N189 G192 L195 M196T13-L133 HydrophobicContact CG2-CD2 4.37Å; I15-L133 HydrophobicContact CD1-CB 3.96Å; L125-L133 HydrophobicContact CD1-CD1 3.69Å; L128-L133 HydrophobicContact CB-CD2 4.17Å; L128-L133 HydrophobicContact CD1-CD2 3.75Å; N131-L133 HydrophobicContact CB-CD2 4.46Å; L133-N189 PolarHBondContact O-ND2 3.47Å; L133-G192 VanDerWaalsContact O-CA 3.26Å; L133-G192 WeakPolarHBondContact O-CA 3.31Å; L133-L195 HydrophobicContact CD1-CB 3.66Å; L133-L195 HydrophobicContact CD1-CD1 4.29Å; L133-M196 HydrophobicContact CB-CG 4.16Å; L133-M196 HydrophobicContact CD1-CG 4.17Å; L133-M196 HydrophobicContact CG-CG 3.96Å
134I91.7Very high87.9Confident0 Ų031 Ų310%017%0.169CC..EExtended strand (participates in β ladder)trans-132120.4179.7-56.9177.7000109V12 T13 P14 I15 I132 V136 I144 L151 L168 F172 N189V12-I134 HydrophobicContact CG1-CB 4.45Å; V12-I134 HydrophobicContact CG1-CD1 3.58Å; V12-I134 HydrophobicContact CG1-CG1 4.02Å; V12-I134 HydrophobicContact CG2-CD1 4.42Å; T13-I134 PolarHBondContact O-N 3.04Å; T13-I134 VanDerWaalsContact O-N 3.08Å; P14-I134 CarbonylContact C-O 3.38Å; P14-I134 WeakPolarHBondContact CA-O 3.28Å; I15-I134 PolarHBondContact N-O 3Å; I132-I134 HydrophobicContact CG2-CD1 4.39Å; I132-I134 HydrophobicContact CG2-CG1 4.09Å; I134-V136 HydrophobicContact CG2-CG1 4.48Å; I134-V136 PolarHBondContact O-N 2.82Å; I134-I144 HydrophobicContact CG2-CD1 3.97Å; I134-I144 HydrophobicContact CG2-CG1 4.02Å; I134-I144 HydrophobicContact CG2-CG2 4.01Å; I134-L151 HydrophobicContact CB-CD2 4.42Å; I134-L151 HydrophobicContact CD1-CD2 4.1Å; I134-L151 HydrophobicContact CG2-CD2 4.31Å; I134-L168 HydrophobicContact CD1-CD2 4.34Å; I134-F172 HydrophobicContact CD1-CE2 4.07Å; I134-F172 HydrophobicContact CD1-CZ 3.53Å; I134-F172 HydrophobicContact CG1-CE2 4.14Å; I134-F172 HydrophobicContact CG1-CZ 3.78Å; I134-N189 WeakPolarHBondContact CA-OD1 3.21Å
135E93.1Very high87.5Confident0 Ų033.1 Ų33.10%018%0.181CC..EExtended strand (participates in β ladder)trans-75.2121.3172.3-161.1168.6-176.700110.5I15 S23 V24 A138 G143 I144 N189 N191I15-E135 HydrophobicContact CB-CB 4.41Å; I15-E135 HydrophobicContact CB-CG 4.37Å; I15-E135 HydrophobicContact CG2-CG 4.21Å; I15-E135 WeakPolarHBondContact O-CA 3.29Å; I15-E135 WeakPolarHBondContact O-CG 3.01Å; S23-E135 WeakPolarHBondContact CA-OE1 3.36Å; S23-E135 VanDerWaalsContact CB-OE1 3.23Å; S23-E135 WeakPolarHBondContact CB-OE1 3.44Å; S23-E135 PolarHBondContact OG-OE1 3.23Å; V24-E135 PolarHBondContact N-OE1 3.47Å; E135-A138 HydrophobicContact CB-CB 4.21Å; E135-A138 HydrophobicContact CG-CB 3.76Å; E135-G143 CarbonylContact O-C 3.58Å; E135-G143 WeakPolarHBondContact O-CA 3.44Å; E135-I144 PolarHBondContact O-N 2.84Å; E135-N189 PolarHBondContact N-OD1 3Å; E135-N191 VanDerWaalsContact OE2-CB 3.27Å; E135-N191 WeakPolarHBondContact OE2-CB 3.46Å; E135-N191 PolarHBondContact OE2-ND2 3.37Å
136V91Very high87.1Confident2 Ų233.4 Ų33.41%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-105.8150.4-176.9-62.10000109.9P14 I15 C17 I134 A138 I144 A146 L151P14-V136 HydrophobicContact CB-CG1 3.69Å; P14-V136 HydrophobicContact CB-CG2 4.02Å; I15-V136 PolarHBondContact O-N 3.34Å; C17-V136 VanDerWaalsContact CB-O 3.31Å; C17-V136 WeakPolarHBondContact CB-O 3.2Å; C17-V136 PolarHBondContact N-O 2.94Å; I134-V136 HydrophobicContact CG2-CG1 4.48Å; I134-V136 PolarHBondContact O-N 2.82Å; V136-A138 PolarHBondContact O-N 3.41Å; V136-I144 HydrophobicContact CG1-CD1 4.06Å; V136-I144 HydrophobicContact CG1-CG1 4.15Å; V136-A146 WeakPolarHBondContact CA-O 3.24Å; V136-A146 VanDerWaalsContact CB-O 3.3Å; V136-A146 WeakPolarHBondContact CB-O 3.25Å; V136-L151 HydrophobicContact CG1-CD2 3.98Å
137N87.3Confident87Confident91 Ų9134.6 Ų34.649%0.48718%0.184SC..SBendtrans55.231.5-170-59.9-42.4000113.4C17 I144 A146 D147C17-N137 HydrophobicContact CB-CB 4.15Å; C17-N137 WeakPolarHBondContact CB-O 3.32Å; C17-N137 PolarHBondContact SG-O 3.42Å; C17-N137 VanDerWaalsContact SG-O 3.34Å; N137-I144 PolarHBondContact N-O 3.25Å; N137-A146 PolarHBondContact N-O 2.91Å; N137-D147 WeakPolarHBondContact OD1-CA 3.38Å; N137-D147 WeakPolarHBondContact OD1-CB 3.22Å; N137-D147 PolarHBondContact OD1-N 3.5Å
138A83.9Confident86.7Confident4 Ų434.5 Ų34.53%0.03318%0.175CC..SBendtrans-108.1174.3173.300000109.9F25 E135 V136 I144 L145F25-A138 HydrophobicContact CE2-CB 4.17Å; E135-A138 HydrophobicContact CB-CB 4.21Å; E135-A138 HydrophobicContact CG-CB 3.76Å; V136-A138 PolarHBondContact O-N 3.41Å; A138-I144 PolarHBondContact N-O 3.48Å; A138-I144 VanDerWaalsContact N-O 3.07Å; A138-I144 CarbonylContact O-C 3.37Å; A138-I144 VanDerWaalsContact O-C 3.23Å; A138-L145 WeakPolarHBondContact O-CA 3.41Å; A138-L145 VanDerWaalsContact O-CD2 3.26Å; A138-L145 WeakPolarHBondContact O-CD2 3.22Å; A138-L145 PolarHBondContact O-N 3.47Å
139D83.5Confident86.4Confident21 Ų2139.5 Ų39.511%0.11220%0.198CC..  trans-71.7174.1172.864.170.2000112.6Y72 I141 F142 G143Y72-D139 HydrophobicContact CE1-CB 4.17Å; Y72-D139 WeakPolarHBondContact CE1-OD2 3.43Å; Y72-D139 WeakPolarHBondContact CE2-OD2 3.14Å; Y72-D139 VanDerWaalsContact CZ-CG 3.48Å; Y72-D139 WeakPolarHBondContact OH-CB 3.29Å; Y72-D139 PolarHBondContact OH-OD1 3.09Å; Y72-D139 PolarHBondContact OH-OD2 3.49Å; Y72-D139 VanDerWaalsContact OH-OD2 3.1Å; D139-I141 PolarHBondContact O-N 2.8Å; D139-I141 VanDerWaalsContact OD1-CA 3.22Å; D139-I141 WeakPolarHBondContact OD1-CA 3.22Å; D139-I141 WeakPolarHBondContact OD1-CB 3.21Å; D139-I141 PolarHBondContact OD1-N 2.76Å; D139-F142 PolarHBondContact OD1-N 2.89Å; D139-F142 VanDerWaalsContact OD2-CD2 3.32Å; D139-F142 WeakPolarHBondContact OD2-CD2 3.27Å; D139-G143 CarbonylContact O-C 3.54Å; D139-G143 VanDerWaalsContact O-C 3.31Å; D139-G143 PolarHBondContact O-N 2.71Å
140K79.5Confident86.5Confident49 Ų4933.1 Ų33.121%0.21318%0.18CC..THydrogen-bonded Turntrans-69-12.3-179.1-65.4-171.2175.3-168.60114.7L145 I184 G187 R188K140-L145 HydrophobicContact CD-CD1 4.14Å; K140-L145 VanDerWaalsContact CE-CD1 3.5Å; K140-L145 HydrophobicContact CG-CD1 3.59Å; K140-L145 HydrophobicContact CG-CG 4.08Å; K140-I184 WeakPolarHBondContact CE-O 3.49Å; K140-I184 PolarHBondContact NZ-O 2.89Å; K140-G187 CarbonylContact O-C 3.44Å; K140-G187 WeakPolarHBondContact O-CA 3.44Å; K140-R188 PolarHBondContact O-N 3.26Å
141I85.5Confident86.5Confident34 Ų3431.5 Ų31.517%0.17416%0.162CC..THydrogen-bonded Turntrans-85.2-59.7175.4-58.3175.3000108.5F76 T103 D139 N189 L190F76-I141 HydrophobicContact CD1-CD1 4.45Å; F76-I141 HydrophobicContact CE1-CD1 3.78Å; F76-I141 HydrophobicContact CZ-CD1 4.17Å; T103-I141 HydrophobicContact CG2-CG2 4.44Å; D139-I141 PolarHBondContact O-N 2.8Å; D139-I141 VanDerWaalsContact OD1-CA 3.22Å; D139-I141 WeakPolarHBondContact OD1-CA 3.22Å; D139-I141 WeakPolarHBondContact OD1-CB 3.21Å; D139-I141 PolarHBondContact OD1-N 2.76Å; I141-N189 PolarHBondContact O-N 2.72Å; I141-L190 HydrophobicContact CG2-CD1 3.4Å; I141-L190 VanDerWaalsContact CG2-CD1 3.4Å; I141-L190 HydrophobicContact CG2-CG 4.1Å; I141-L190 WeakPolarHBondContact O-CB 3.21Å; I141-L190 WeakPolarHBondContact O-CG 3.47Å; I141-L190 PolarHBondContact O-N 2.94Å
142F88.6Confident86Confident0 Ų036.2 Ų36.20%018%0.178CC..THydrogen-bonded Turntrans-79.6-26.6-171.9-67.1-63.7000114.5V24 F25 F40 I41 Y72 T103 L107 D139 N189 L190 N191V24-F142 HydrophobicContact CB-CD1 4.39Å; V24-F142 HydrophobicContact CG1-CD1 3.85Å; V24-F142 HydrophobicContact CG1-CE1 4.32Å; V24-F142 HydrophobicContact CG1-CG 4.3Å; V24-F142 HydrophobicContact CG2-CB 3.91Å; V24-F142 HydrophobicContact CG2-CD1 4.04Å; V24-F142 HydrophobicContact CG2-CD2 3.88Å; V24-F142 HydrophobicContact CG2-CE2 4.43Å; V24-F142 HydrophobicContact CG2-CG 3.68Å; F25-F142 HydrophobicContact CE2-CD2 4.5Å; F25-F142 HydrophobicContact CZ-CD2 4.02Å; F40-F142 AromaticContact CE1-CE1 3.67Å; F40-F142 HydrophobicContact CE1-CE1 3.67Å; F40-F142 AromaticContact CE1-CZ 3.66Å; F40-F142 HydrophobicContact CE1-CZ 3.66Å; F40-F142 HydrophobicContact CZ-CE1 4.31Å; F40-F142 HydrophobicContact CZ-CZ 4.44Å; I41-F142 HydrophobicContact CD1-CE2 4.26Å; Y72-F142 AromaticContact CD2-CE2 3.93Å; Y72-F142 HydrophobicContact CD2-CE2 3.93Å; Y72-F142 HydrophobicContact CE2-CD2 4.07Å; Y72-F142 AromaticContact CE2-CE2 3.61Å; Y72-F142 HydrophobicContact CE2-CE2 3.61Å; T103-F142 HydrophobicContact CG2-CE1 3.55Å; T103-F142 HydrophobicContact CG2-CZ 3.58Å; L107-F142 HydrophobicContact CD2-CD1 4.19Å; L107-F142 HydrophobicContact CD2-CE1 4.19Å; D139-F142 PolarHBondContact OD1-N 2.89Å; D139-F142 VanDerWaalsContact OD2-CD2 3.32Å; D139-F142 WeakPolarHBondContact OD2-CD2 3.27Å; F142-N189 CarbonylContact O-C 3.57Å; F142-N189 WeakPolarHBondContact O-CA 3.42Å; F142-L190 PolarHBondContact O-N 2.9Å; F142-N191 WeakPolarHBondContact O-CB 3.46Å; F142-N191 PolarHBondContact O-N 2.93Å
143G87.7Confident85.3Confident0 Ų039.2 Ų39.20%019%0.194CC..SBendtrans-156.2-132.6-17300000113.7E135 D139 G187E135-G143 CarbonylContact O-C 3.58Å; E135-G143 WeakPolarHBondContact O-CA 3.44Å; D139-G143 CarbonylContact O-C 3.54Å; D139-G143 VanDerWaalsContact O-C 3.31Å; D139-G143 PolarHBondContact O-N 2.71Å; G143-G187 CarbonylContact O-C 3.23Å; G143-G187 WeakPolarHBondContact O-CA 3.41Å
144I87Confident84.4Confident0 Ų040.6 Ų40.60%020%0.199CC..BIsolated β-bridgetrans-130.2148172.866.5173.3000110.2I134 E135 V136 N137 A138 A146 L151 W185I134-I144 HydrophobicContact CG2-CD1 3.97Å; I134-I144 HydrophobicContact CG2-CG1 4.02Å; I134-I144 HydrophobicContact CG2-CG2 4.01Å; E135-I144 PolarHBondContact O-N 2.84Å; V136-I144 HydrophobicContact CG1-CD1 4.06Å; V136-I144 HydrophobicContact CG1-CG1 4.15Å; N137-I144 PolarHBondContact N-O 3.25Å; A138-I144 PolarHBondContact N-O 3.48Å; A138-I144 VanDerWaalsContact N-O 3.07Å; A138-I144 CarbonylContact O-C 3.37Å; A138-I144 VanDerWaalsContact O-C 3.23Å; I144-A146 HydrophobicContact CD1-CB 4.05Å; I144-A146 HydrophobicContact CG1-CB 4.35Å; I144-A146 PolarHBondContact O-N 2.92Å; I144-A146 VanDerWaalsContact O-N 3.12Å; I144-L151 HydrophobicContact CD1-CB 4.14Å; I144-L151 HydrophobicContact CD1-CD1 3.75Å; I144-L151 HydrophobicContact CD1-CD2 3.97Å; I144-L151 HydrophobicContact CD1-CG 4.16Å; I144-W185 CarbonylContact C-O 3.29Å; I144-W185 WeakPolarHBondContact CA-O 3.45Å; I144-W185 HydrophobicContact CB-CE3 4.42Å; I144-W185 WeakPolarHBondContact CB-O 3.47Å; I144-W185 HydrophobicContact CD1-CE3 4.12Å; I144-W185 HydrophobicContact CD1-CZ3 3.91Å
145L83Confident83.5Confident96 Ų9643.7 Ų43.750%0.50321%0.212SC..SBendtrans-8335.4175.2-68.8166.9000112.2A138 K140 W185A138-L145 WeakPolarHBondContact O-CA 3.41Å; A138-L145 VanDerWaalsContact O-CD2 3.26Å; A138-L145 WeakPolarHBondContact O-CD2 3.22Å; A138-L145 PolarHBondContact O-N 3.47Å; K140-L145 HydrophobicContact CD-CD1 4.14Å; K140-L145 VanDerWaalsContact CE-CD1 3.5Å; K140-L145 HydrophobicContact CG-CD1 3.59Å; K140-L145 HydrophobicContact CG-CG 4.08Å; L145-W185 HydrophobicContact CB-CB 4.09Å; L145-W185 PolarHBondContact N-O 2.95Å; L145-W185 WeakPolarHBondContact O-CB 3.46Å
146A84.2Confident82.2Confident6 Ų648.9 Ų48.95%0.0524%0.24CC..SBendtrans-132.8149.9177.900000109.1V136 N137 I144 V150 W185V136-A146 WeakPolarHBondContact CA-O 3.24Å; V136-A146 VanDerWaalsContact CB-O 3.3Å; V136-A146 WeakPolarHBondContact CB-O 3.25Å; N137-A146 PolarHBondContact N-O 2.91Å; I144-A146 HydrophobicContact CD1-CB 4.05Å; I144-A146 HydrophobicContact CG1-CB 4.35Å; I144-A146 PolarHBondContact O-N 2.92Å; I144-A146 VanDerWaalsContact O-N 3.12Å; A146-V150 HydrophobicContact CB-CB 3.96Å; A146-V150 HydrophobicContact CB-CG1 3.7Å; A146-W185 HydrophobicContact CB-CB 3.9Å; A146-W185 HydrophobicContact CB-CD2 3.54Å; A146-W185 HydrophobicContact CB-CE3 3.41Å; A146-W185 VanDerWaalsContact CB-CE3 3.41Å; A146-W185 HydrophobicContact CB-CG 3.78Å; A146-W185 HydrophobicContact CB-CZ3 4.04Å
147D87.3Confident80.6Confident58 Ų5857.6 Ų57.631%0.3127%0.274SS..  trans-77.9177.5173.264.132.8000111.3N137 E149 V150 L151N137-D147 WeakPolarHBondContact OD1-CA 3.38Å; N137-D147 WeakPolarHBondContact OD1-CB 3.22Å; N137-D147 PolarHBondContact OD1-N 3.5Å; D147-E149 VanDerWaalsContact C-N 3.26Å; D147-E149 PolarHBondContact O-N 3.01Å; D147-E149 WeakPolarHBondContact OD1-CA 3.08Å; D147-E149 WeakPolarHBondContact OD1-CB 3.11Å; D147-E149 PolarHBondContact OD1-N 3.27Å; D147-V150 WeakPolarHBondContact OD1-CG2 3.12Å; D147-V150 PolarHBondContact OD1-N 2.94Å; D147-L151 WeakPolarHBondContact O-CB 3.05Å; D147-L151 PolarHBondContact O-N 3.39Å; D147-L151 VanDerWaalsContact O-N 3.12Å
148E85.1Confident78.9Confident80 Ų8056.6 Ų56.637%0.37429%0.285SS..Hα-helixtrans-62.9-32.5177.7174.4174.4172.700112.8P14 R152P14-E148 HydrophobicContact CB-CB 4.21Å; P14-E148 HydrophobicContact CB-CG 4.15Å; P14-E148 HydrophobicContact CG-CB 4.23Å; P14-E148 HydrophobicContact CG-CG 3.67Å; E148-R152 WeakPolarHBondContact O-CB 3.47Å; E148-R152 PolarHBondContact O-N 3.49Å; E148-R152 IonicContact OE1-CZ 2.95Å; E148-R152 IonicContact OE1-NH2 2.93Å; E148-R152 PolarHBondContact OE1-NH2 3.12Å
149E82.6Confident77.2Confident131 Ų13158.1 Ų58.161%0.61230%0.301SS*.Hα-helixtrans-71.2-47.1-177.4-170.7168.8-166.400110.4D147 L151 R152 D153D147-E149 VanDerWaalsContact C-N 3.26Å; D147-E149 PolarHBondContact O-N 3.01Å; D147-E149 WeakPolarHBondContact OD1-CA 3.08Å; D147-E149 WeakPolarHBondContact OD1-CB 3.11Å; D147-E149 PolarHBondContact OD1-N 3.27Å; E149-L151 VanDerWaalsContact C-N 3.34Å; E149-L151 PolarHBondContact O-N 2.79Å; E149-R152 CarbonylContact O-C 3.59Å; E149-R152 WeakPolarHBondContact O-CB 3.44Å; E149-R152 PolarHBondContact O-N 3.49Å; E149-R152 VanDerWaalsContact O-N 3.15Å; E149-D153 WeakPolarHBondContact O-CB 3.36Å; E149-D153 PolarHBondContact O-N 3.48Å
150V83.4Confident75.5Confident56 Ų5657.8 Ų57.834%0.33930%0.302SS..Hα-helixtrans-61.2-42.5174.9173.50000111.4A146 D147 R152 D153 Y154 W185A146-V150 HydrophobicContact CB-CB 3.96Å; A146-V150 HydrophobicContact CB-CG1 3.7Å; D147-V150 WeakPolarHBondContact OD1-CG2 3.12Å; D147-V150 PolarHBondContact OD1-N 2.94Å; V150-R152 VanDerWaalsContact C-N 3.34Å; V150-D153 PolarHBondContact O-N 3.48Å; V150-Y154 WeakPolarHBondContact O-CB 3.19Å; V150-Y154 PolarHBondContact O-N 2.87Å; V150-W185 HydrophobicContact CG1-CD2 4.26Å; V150-W185 HydrophobicContact CG1-CH2 4.46Å; V150-W185 HydrophobicContact CG1-CZ2 3.85Å
151L82Confident74.1Confident5 Ų566.5 Ų66.53%0.02633%0.334CS..Hα-helixtrans-63-42.7176-176.962.7000111.2V12 I134 V136 I144 D147 E149 Y154 F155 W185 W186V12-L151 HydrophobicContact CG1-CD2 4.06Å; I134-L151 HydrophobicContact CB-CD2 4.42Å; I134-L151 HydrophobicContact CD1-CD2 4.1Å; I134-L151 HydrophobicContact CG2-CD2 4.31Å; V136-L151 HydrophobicContact CG1-CD2 3.98Å; I144-L151 HydrophobicContact CD1-CB 4.14Å; I144-L151 HydrophobicContact CD1-CD1 3.75Å; I144-L151 HydrophobicContact CD1-CD2 3.97Å; I144-L151 HydrophobicContact CD1-CG 4.16Å; D147-L151 WeakPolarHBondContact O-CB 3.05Å; D147-L151 PolarHBondContact O-N 3.39Å; D147-L151 VanDerWaalsContact O-N 3.12Å; E149-L151 VanDerWaalsContact C-N 3.34Å; E149-L151 PolarHBondContact O-N 2.79Å; L151-Y154 PolarHBondContact O-N 2.64Å; L151-F155 HydrophobicContact CD1-CD2 4.18Å; L151-F155 HydrophobicContact CD1-CE2 3.49Å; L151-F155 VanDerWaalsContact CD1-CE2 3.49Å; L151-F155 HydrophobicContact CD1-CZ 4.18Å; L151-F155 HydrophobicContact CD2-CE2 4.5Å; L151-F155 HydrophobicContact CG-CD2 4.17Å; L151-F155 HydrophobicContact CG-CE2 3.77Å; L151-F155 WeakPolarHBondContact O-CD2 3.48Å; L151-F155 PolarHBondContact O-N 2.83Å; L151-W185 HydrophobicContact CD1-CH2 4.32Å; L151-W185 HydrophobicContact CD1-CZ3 4.1Å; L151-W186 HydrophobicContact CD1-CH2 4.18Å; L151-W186 HydrophobicContact CD1-CZ3 3.98Å
152R78.5Confident72.6Confident127 Ų12770.2 Ų70.248%0.47936%0.363SS..Hα-helixtrans-64.7-43.7177.5-169.8-171.3-55.8-179.21.7111.2E148 E149 V150 Y154 F155 L156E148-R152 WeakPolarHBondContact O-CB 3.47Å; E148-R152 PolarHBondContact O-N 3.49Å; E148-R152 IonicContact OE1-CZ 2.95Å; E148-R152 IonicContact OE1-NH2 2.93Å; E148-R152 PolarHBondContact OE1-NH2 3.12Å; E149-R152 CarbonylContact O-C 3.59Å; E149-R152 WeakPolarHBondContact O-CB 3.44Å; E149-R152 PolarHBondContact O-N 3.49Å; E149-R152 VanDerWaalsContact O-N 3.15Å; V150-R152 VanDerWaalsContact C-N 3.34Å; R152-Y154 VanDerWaalsContact C-N 3.34Å; R152-Y154 PolarHBondContact O-N 2.78Å; R152-F155 PolarHBondContact O-N 3.16Å; R152-L156 HydrophobicContact CG-CD1 3.78Å; R152-L156 HydrophobicContact CG-CG 4.4Å; R152-L156 WeakPolarHBondContact O-CB 3.38Å; R152-L156 VanDerWaalsContact O-CG 3.3Å; R152-L156 WeakPolarHBondContact O-CG 3.4Å; R152-L156 PolarHBondContact O-N 3.28Å
153D73.1Confident71.4Confident64 Ų6472.2 Ų72.234%0.34237%0.373SS..Hα-helixtrans-66.4-36.5178-75.8-7.8000112.1E149 V150 F155 L156 Y157E149-D153 WeakPolarHBondContact O-CB 3.36Å; E149-D153 PolarHBondContact O-N 3.48Å; V150-D153 PolarHBondContact O-N 3.48Å; D153-F155 VanDerWaalsContact C-N 3.29Å; D153-F155 PolarHBondContact O-N 3.19Å; D153-L156 PolarHBondContact O-N 3.43Å; D153-Y157 HydrophobicContact CB-CD2 4.06Å; D153-Y157 PolarHBondContact O-N 3.29Å; D153-Y157 WeakPolarHBondContact OD1-CE2 3.5Å
154Y74.9Confident70.5Confident29 Ų2975.6 Ų75.611%0.11439%0.394CS..Iπ-helixtrans-60-41.3173.9-179.7-108.4000112V150 L151 R152 G159 G160 P183 W185 W186V150-Y154 WeakPolarHBondContact O-CB 3.19Å; V150-Y154 PolarHBondContact O-N 2.87Å; L151-Y154 PolarHBondContact O-N 2.64Å; R152-Y154 VanDerWaalsContact C-N 3.34Å; R152-Y154 PolarHBondContact O-N 2.78Å; Y154-G159 PolarHBondContact O-N 3.09Å; Y154-G160 PolarHBondContact O-N 3.25Å; Y154-P183 HydrophobicContact CD2-CG 4.04Å; Y154-P183 HydrophobicContact CE1-CG 4.43Å; Y154-P183 HydrophobicContact CE2-CG 3.65Å; Y154-W185 AromaticContact CD1-CH2 3.92Å; Y154-W185 HydrophobicContact CD1-CH2 3.92Å; Y154-W185 HydrophobicContact CD1-CZ2 4.5Å; Y154-W185 HydrophobicContact CD2-CH2 4.16Å; Y154-W185 AromaticContact CD2-CZ2 3.92Å; Y154-W185 HydrophobicContact CD2-CZ2 3.92Å; Y154-W185 AromaticContact CG-CH2 3.64Å; Y154-W185 HydrophobicContact CG-CH2 3.64Å; Y154-W185 AromaticContact CG-CZ2 3.8Å; Y154-W185 HydrophobicContact CG-CZ2 3.8Å; Y154-W186 HydrophobicContact CD1-CH2 4.22Å; Y154-W186 AromaticContact CD1-CZ3 3.68Å; Y154-W186 HydrophobicContact CD1-CZ3 3.68Å; Y154-W186 HydrophobicContact CE1-CE3 4.42Å; Y154-W186 AromaticContact CE1-CH2 3.99Å; Y154-W186 HydrophobicContact CE1-CH2 3.99Å; Y154-W186 AromaticContact CE1-CZ3 3.6Å; Y154-W186 HydrophobicContact CE1-CZ3 3.6Å
155F72.1Confident69.9Low64 Ų6479 Ų7928%0.28141%0.409SS..Iπ-helixtrans-75.3-31174.7-69.5-57.8000113.6V12 L151 R152 D153 L168 W186V12-F155 HydrophobicContact CG2-CE2 4.01Å; V12-F155 HydrophobicContact CG2-CZ 4.25Å; L151-F155 HydrophobicContact CD1-CD2 4.18Å; L151-F155 HydrophobicContact CD1-CE2 3.49Å; L151-F155 VanDerWaalsContact CD1-CE2 3.49Å; L151-F155 HydrophobicContact CD1-CZ 4.18Å; L151-F155 HydrophobicContact CD2-CE2 4.5Å; L151-F155 HydrophobicContact CG-CD2 4.17Å; L151-F155 HydrophobicContact CG-CE2 3.77Å; L151-F155 WeakPolarHBondContact O-CD2 3.48Å; L151-F155 PolarHBondContact O-N 2.83Å; R152-F155 PolarHBondContact O-N 3.16Å; D153-F155 VanDerWaalsContact C-N 3.29Å; D153-F155 PolarHBondContact O-N 3.19Å; F155-L168 HydrophobicContact CE1-CD1 3.7Å; F155-L168 HydrophobicContact CZ-CD1 3.6Å; F155-L168 HydrophobicContact CZ-CD2 4Å; F155-W186 HydrophobicContact CZ-CH2 4.16Å
156L65.9Low69.4Low109 Ų10977.6 Ų77.657%0.57141%0.411SS*.Iπ-helixtrans-83.5-43.8-177.8-74.9173.4000114.1R152 D153R152-L156 HydrophobicContact CG-CD1 3.78Å; R152-L156 HydrophobicContact CG-CG 4.4Å; R152-L156 WeakPolarHBondContact O-CB 3.38Å; R152-L156 VanDerWaalsContact O-CG 3.3Å; R152-L156 WeakPolarHBondContact O-CG 3.4Å; R152-L156 PolarHBondContact O-N 3.28Å; D153-L156 PolarHBondContact O-N 3.43Å
157Y57.8Low68.8Low185 Ų18581.4 Ų81.473%0.72543%0.428SS*.Iπ-helixtrans-117.9-20.6-157.1-64.1-64.9000117.5D153D153-Y157 HydrophobicContact CB-CD2 4.06Å; D153-Y157 PolarHBondContact O-N 3.29Å; D153-Y157 WeakPolarHBondContact OD1-CE2 3.5Å
158G50.5Low68.3Low71 Ų7178.7 Ų78.773%0.73241%0.413SS*.Iπ-helixtrans-1749.5-168.600000121.7
159G49.1Very low67.9Low36 Ų3677.7 Ų77.737%0.37141%0.41SS..SBendtrans-146.2-22.3171.200000115Y154 R161Y154-G159 PolarHBondContact O-N 3.09Å; G159-R161 PolarHBondContact O-N 3.29Å
160G48.6Very low67.5Low13 Ų1376.8 Ų76.813%0.13441%0.406CS..  trans-88.425.7179.800000116.1Y154 S162Y154-G160 PolarHBondContact O-N 3.25Å; G160-S162 PolarHBondContact O-N 2.75Å
161R49.2Very low66.9Low232 Ų23274.5 Ų74.588%0.87539%0.392SS*.THydrogen-bonded Turntrans-58.3106.4177.4-76.6-172.1-179.1-175.72.7109.8G159G159-R161 PolarHBondContact O-N 3.29Å
162S54.7Low66.6Low112 Ų11274.9 Ų74.978%0.78339%0.393SS*.THydrogen-bonded Turntrans6036.8173.766.60000117.5G160 T164 Q167G160-S162 PolarHBondContact O-N 2.75Å; S162-T164 PolarHBondContact O-N 3.39Å; S162-Q167 PolarHBondContact O-OE1 2.91Å
163M62.6Low66Low42 Ų4273.3 Ų73.321%0.20740%0.402CS..  trans-69.6120.2168.6-83.7-175.371.700111.5Q167 L168 C171M163-Q167 HydrophobicContact CE-CB 4.02Å; M163-Q167 HydrophobicContact CG-CB 4.41Å; M163-L168 HydrophobicContact CE-CB 3.89Å; M163-L168 HydrophobicContact CE-CD1 3.46Å; M163-L168 VanDerWaalsContact CE-CD1 3.46Å; M163-L168 HydrophobicContact CE-CG 4.25Å; M163-L168 HydrophobicContact SD-CD1 4.18Å; M163-C171 WeakPolarHBondContact CE-SG 3.28Å
164T69.1Low64.9Low72 Ų7271.7 Ų71.744%0.44239%0.393SS..  trans-70158.7169.160.80000110.9S162 A166 Q167 L168S162-T164 PolarHBondContact O-N 3.39Å; T164-A166 PolarHBondContact O-N 2.82Å; T164-Q167 PolarHBondContact O-N 3.28Å; T164-Q167 WeakPolarHBondContact OG1-CB 3.18Å; T164-Q167 VanDerWaalsContact OG1-CG 3.28Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.24Å; T164-Q167 PolarHBondContact OG1-N 3.39Å; T164-Q167 VanDerWaalsContact OG1-N 3.16Å; T164-Q167 PolarHBondContact OG1-OE1 3.27Å; T164-L168 PolarHBondContact O-N 3.11Å
165K74.6Confident63.9Low71 Ų7173.3 Ų73.331%0.30940%0.404SS..Hα-helixtrans-52.8-39.3172.1173.1164-178.5174.10112V10 G130 I132 L168 L169V10-K165 HydrophobicContact CG2-CB 4.16Å; G130-K165 PolarHBondContact O-NZ 2.98Å; I132-K165 HydrophobicContact CD1-CB 4.48Å; I132-K165 HydrophobicContact CD1-CG 3.99Å; K165-L168 PolarHBondContact O-N 3.42Å; K165-L169 HydrophobicContact CG-CD1 3.99Å; K165-L169 WeakPolarHBondContact O-CB 3.23Å; K165-L169 VanDerWaalsContact O-CG 3.28Å; K165-L169 WeakPolarHBondContact O-CG 3.36Å; K165-L169 PolarHBondContact O-N 2.69Å
166A73.2Confident62.7Low67 Ų6772.4 Ų72.455%0.55440%0.402SS*.Hα-helixtrans-63.5-45.8176.600000111.9T164 L168 L169 Q170T164-A166 PolarHBondContact O-N 2.82Å; A166-L168 PolarHBondContact O-N 3.1Å; A166-L169 PolarHBondContact O-N 3.11Å; A166-Q170 VanDerWaalsContact O-CB 3.31Å; A166-Q170 WeakPolarHBondContact O-CB 3.35Å; A166-Q170 PolarHBondContact O-N 3.18Å
167Q71.3Confident61.6Low86 Ų8669.2 Ų69.240%0.40239%0.387SS..Hα-helixtrans-61.1-45.3175.9-75.4164.7-41.800111.1S162 M163 T164 L169 Q170 C171S162-Q167 PolarHBondContact O-OE1 2.91Å; M163-Q167 HydrophobicContact CE-CB 4.02Å; M163-Q167 HydrophobicContact CG-CB 4.41Å; T164-Q167 PolarHBondContact O-N 3.28Å; T164-Q167 WeakPolarHBondContact OG1-CB 3.18Å; T164-Q167 VanDerWaalsContact OG1-CG 3.28Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.24Å; T164-Q167 PolarHBondContact OG1-N 3.39Å; T164-Q167 VanDerWaalsContact OG1-N 3.16Å; T164-Q167 PolarHBondContact OG1-OE1 3.27Å; Q167-L169 PolarHBondContact O-N 3.41Å; Q167-Q170 WeakPolarHBondContact O-CB 3.44Å; Q167-Q170 PolarHBondContact O-N 3.42Å; Q167-Q170 VanDerWaalsContact O-N 3.13Å; Q167-C171 PolarHBondContact O-N 3.36Å; Q167-C171 PolarHBondContact O-SG 2.84Å
168L76.1Confident60.9Low1 Ų164.8 Ų64.81%0.00537%0.373CS..Hα-helixtrans-62.7-41.9179-159.978.4000112.8V10 V12 I132 I134 F155 M163 T164 K165 A166 Q170 C171 F172 W186V10-L168 HydrophobicContact CG1-CD2 4.24Å; V12-L168 HydrophobicContact CG2-CD2 4.17Å; I132-L168 HydrophobicContact CB-CD2 4.42Å; I132-L168 HydrophobicContact CD1-CB 4.18Å; I132-L168 HydrophobicContact CD1-CD2 3.47Å; I132-L168 VanDerWaalsContact CD1-CD2 3.47Å; I132-L168 HydrophobicContact CD1-CG 4.37Å; I132-L168 HydrophobicContact CG2-CD2 4.08Å; I134-L168 HydrophobicContact CD1-CD2 4.34Å; F155-L168 HydrophobicContact CE1-CD1 3.7Å; F155-L168 HydrophobicContact CZ-CD1 3.6Å; F155-L168 HydrophobicContact CZ-CD2 4Å; M163-L168 HydrophobicContact CE-CB 3.89Å; M163-L168 HydrophobicContact CE-CD1 3.46Å; M163-L168 VanDerWaalsContact CE-CD1 3.46Å; M163-L168 HydrophobicContact CE-CG 4.25Å; M163-L168 HydrophobicContact SD-CD1 4.18Å; T164-L168 PolarHBondContact O-N 3.11Å; K165-L168 PolarHBondContact O-N 3.42Å; A166-L168 PolarHBondContact O-N 3.1Å; L168-Q170 VanDerWaalsContact C-N 3.3Å; L168-C171 WeakPolarHBondContact O-CB 3.02Å; L168-C171 PolarHBondContact O-N 3.43Å; L168-F172 HydrophobicContact CD2-CE2 4.23Å; L168-F172 HydrophobicContact CG-CE2 4Å; L168-F172 HydrophobicContact CG-CZ 4.38Å; L168-F172 VanDerWaalsContact O-CD2 3.24Å; L168-F172 WeakPolarHBondContact O-CD2 3.2Å; L168-F172 PolarHBondContact O-N 3.31Å; L168-W186 HydrophobicContact CD1-CH2 3.82Å; L168-W186 HydrophobicContact CD1-CZ2 3.7Å
169L77.6Confident60.8Low58 Ų5863.9 Ų63.930%0.30435%0.349SS..Hα-helixtrans-66.4-34.5175.4-70171.9000111.9K165 A166 Q167 F172 S173 M196K165-L169 HydrophobicContact CG-CD1 3.99Å; K165-L169 WeakPolarHBondContact O-CB 3.23Å; K165-L169 VanDerWaalsContact O-CG 3.28Å; K165-L169 WeakPolarHBondContact O-CG 3.36Å; K165-L169 PolarHBondContact O-N 2.69Å; A166-L169 PolarHBondContact O-N 3.11Å; Q167-L169 PolarHBondContact O-N 3.41Å; L169-F172 PolarHBondContact O-N 3.45Å; L169-S173 PolarHBondContact O-N 3.37Å; L169-S173 PolarHBondContact O-OG 2.96Å; L169-M196 HydrophobicContact CD2-CE 3.7Å; L169-M196 HydrophobicContact CD2-SD 4.18Å
170Q73.3Confident60.5Low113 Ų11363.8 Ų63.853%0.52834%0.342SS..Hα-helixtrans-64.9-41.6174.9-159.7169.88.600110.6A166 Q167 L168 F172 S173 L174A166-Q170 VanDerWaalsContact O-CB 3.31Å; A166-Q170 WeakPolarHBondContact O-CB 3.35Å; A166-Q170 PolarHBondContact O-N 3.18Å; Q167-Q170 WeakPolarHBondContact O-CB 3.44Å; Q167-Q170 PolarHBondContact O-N 3.42Å; Q167-Q170 VanDerWaalsContact O-N 3.13Å; L168-Q170 VanDerWaalsContact C-N 3.3Å; Q170-F172 PolarHBondContact O-N 3.41Å; Q170-F172 VanDerWaalsContact O-N 3.16Å; Q170-S173 WeakPolarHBondContact O-CA 3.36Å; Q170-S173 PolarHBondContact O-N 2.81Å; Q170-L174 HydrophobicContact CG-CD1 4.45Å; Q170-L174 HydrophobicContact CG-CG 4.37Å; Q170-L174 VanDerWaalsContact O-CG 3.26Å; Q170-L174 WeakPolarHBondContact O-CG 3.32Å; Q170-L174 PolarHBondContact O-N 3.03Å
171C70.7Confident60.5Low7 Ų767.9 Ų67.95%0.04736%0.361CS..Hα-helixtrans-57-30.9175.2-57.30000113.7M163 Q167 L168 E179M163-C171 WeakPolarHBondContact CE-SG 3.28Å; Q167-C171 PolarHBondContact O-N 3.36Å; Q167-C171 PolarHBondContact O-SG 2.84Å; L168-C171 WeakPolarHBondContact O-CB 3.02Å; L168-C171 PolarHBondContact O-N 3.43Å; C171-E179 PolarHBondContact SG-OE1 3.16Å; C171-E179 PolarHBondContact SG-OE2 3.34Å
172F76Confident60.9Low13 Ų1357.5 Ų57.56%0.05733%0.325CS..Hα-helixtrans-80.9-25.2174.8-62.7-48.1000113.4I132 I134 L168 L169 Q170 W186 G187 R188 N189I132-F172 HydrophobicContact CG2-CE2 4.05Å; I134-F172 HydrophobicContact CD1-CE2 4.07Å; I134-F172 HydrophobicContact CD1-CZ 3.53Å; I134-F172 HydrophobicContact CG1-CE2 4.14Å; I134-F172 HydrophobicContact CG1-CZ 3.78Å; L168-F172 HydrophobicContact CD2-CE2 4.23Å; L168-F172 HydrophobicContact CG-CE2 4Å; L168-F172 HydrophobicContact CG-CZ 4.38Å; L168-F172 VanDerWaalsContact O-CD2 3.24Å; L168-F172 WeakPolarHBondContact O-CD2 3.2Å; L168-F172 PolarHBondContact O-N 3.31Å; L169-F172 PolarHBondContact O-N 3.45Å; Q170-F172 PolarHBondContact O-N 3.41Å; Q170-F172 VanDerWaalsContact O-N 3.16Å; F172-W186 AromaticContact CD1-NE1 3.74Å; F172-W186 AromaticContact CE1-CE2 3.75Å; F172-W186 AromaticContact CE1-CZ2 3.85Å; F172-W186 HydrophobicContact CE1-CZ2 3.85Å; F172-W186 AromaticContact CE1-NE1 3.45Å; F172-W186 AromaticContact CZ-CZ2 3.83Å; F172-W186 HydrophobicContact CZ-CZ2 3.83Å; F172-G187 WeakPolarHBondContact CD1-O 3.38Å; F172-R188 WeakPolarHBondContact CB-O 3.31Å; F172-N189 HydrophobicContact CB-CB 4.46Å; F172-N189 HydrophobicContact CD1-CB 3.36Å; F172-N189 HydrophobicContact CD2-CB 4.43Å; F172-N189 HydrophobicContact CE1-CB 3.61Å; F172-N189 HydrophobicContact CG-CB 3.84Å; F172-N189 HydrophobicContact CZ-CB 4.27Å
173S65.5Low61.5Low94 Ų9452.4 Ų52.466%0.65729%0.289SS*.Hα-helixtrans-85.7-26.7-177.9-50.90000112.6L169 Q170L169-S173 PolarHBondContact O-N 3.37Å; L169-S173 PolarHBondContact O-OG 2.96Å; Q170-S173 WeakPolarHBondContact O-CA 3.36Å; Q170-S173 PolarHBondContact O-N 2.81Å
174L50.8Low61.5Low31 Ų3154 Ų5416%0.16230%0.298CS..SBendtrans-63.6140.5-177.7-72.5165.8000110.4Q170 L176 E178 E179 R188Q170-L174 HydrophobicContact CG-CD1 4.45Å; Q170-L174 HydrophobicContact CG-CG 4.37Å; Q170-L174 VanDerWaalsContact O-CG 3.26Å; Q170-L174 WeakPolarHBondContact O-CG 3.32Å; Q170-L174 PolarHBondContact O-N 3.03Å; L174-L176 PolarHBondContact O-N 3.4Å; L174-E178 HydrophobicContact CD2-CB 4.07Å; L174-E178 WeakPolarHBondContact CD2-OE2 3.28Å; L174-E179 HydrophobicContact CD1-CB 3.79Å; L174-E179 HydrophobicContact CD1-CG 3.79Å; L174-R188 VanDerWaalsContact C-NH1 3.34Å; L174-R188 PolarHBondContact O-NH1 2.94Å
175N52.9Low61.8Low62 Ų6253.2 Ų53.233%0.33229%0.287SS..  trans-51.6126.1156.3-90.2-16.2000106.5T177 E178 R188N175-T177 WeakPolarHBondContact CB-OG1 3.36Å; N175-T177 PolarHBondContact O-N 3.42Å; N175-E178 HydrophobicContact CB-CG 4.24Å; N175-E178 WeakPolarHBondContact O-CB 3.34Å; N175-E178 PolarHBondContact O-N 3.29Å; N175-R188 VanDerWaalsContact CA-NH1 3.32Å; N175-R188 PolarHBondContact OD1-NH1 3.25Å; N175-R188 PolarHBondContact OD1-NH2 3.25Å
176L47.4Very low62Low45 Ų4550 Ų5024%0.23627%0.273CS..THydrogen-bonded Turntrans-55.7-11.6-178-83159.3000112.4L174 R188 L270L174-L176 PolarHBondContact O-N 3.4Å; L176-R188 HydrophobicContact CD1-CG 4.16Å; L176-L270 HydrophobicContact CB-CD2 3.76Å
177T42.4Very low62.2Low43 Ų4346.9 Ų46.926%0.26425%0.247SC..THydrogen-bonded Turntrans-71-25.1169.954.90000114.4N175 M263 L274N175-T177 WeakPolarHBondContact CB-OG1 3.36Å; N175-T177 PolarHBondContact O-N 3.42Å; T177-M263 VanDerWaalsContact C-CE 3.44Å; T177-M263 WeakPolarHBondContact O-CE 3.3Å; T177-M263 WeakPolarHBondContact O-CG 3.16Å; T177-L274 HydrophobicContact CG2-CD1 3.51Å; T177-L274 HydrophobicContact CG2-CD2 4.42Å
178E43.8Very low62.8Low92 Ų9244.2 Ų44.243%0.4323%0.233SC..SBendtrans-96.6-10.8-165.1-68.6-177.7176.700116.2L174 N175 P180 M263L174-E178 HydrophobicContact CD2-CB 4.07Å; L174-E178 WeakPolarHBondContact CD2-OE2 3.28Å; N175-E178 HydrophobicContact CB-CG 4.24Å; N175-E178 WeakPolarHBondContact O-CB 3.34Å; N175-E178 PolarHBondContact O-N 3.29Å; E178-P180 VanDerWaalsContact O-CD 3.25Å; E178-P180 WeakPolarHBondContact O-CD 3.4Å; E178-M263 HydrophobicContact CB-CE 4.47Å; E178-M263 HydrophobicContact CG-CE 3.74Å
179E48.5Very low63.4Low51 Ų5144.2 Ų44.224%0.23823%0.233CC..  trans-107.7105.1-178.2-142.7-172.3-141.400114.3C171 L174 N181 A182C171-E179 PolarHBondContact SG-OE1 3.16Å; C171-E179 PolarHBondContact SG-OE2 3.34Å; L174-E179 HydrophobicContact CD1-CB 3.79Å; L174-E179 HydrophobicContact CD1-CG 3.79Å; E179-N181 PolarHBondContact O-N 2.94Å; E179-A182 HydrophobicContact CB-CB 4.18Å; E179-A182 PolarHBondContact O-N 3.28Å
180P41.8Very low64Low34 Ų3442.1 Ų42.122%0.22122%0.222CC..THydrogen-bonded Turntrans-46.3-32.9176.1-23.621.3000115.1E178 N264 I265 R266E178-P180 VanDerWaalsContact O-CD 3.25Å; E178-P180 WeakPolarHBondContact O-CD 3.4Å; P180-N264 WeakPolarHBondContact CA-O 3.43Å; P180-N264 HydrophobicContact CB-CB 4.36Å; P180-N264 WeakPolarHBondContact CB-O 3.4Å; P180-N264 HydrophobicContact CG-CB 4.29Å; P180-N264 WeakPolarHBondContact CG-O 3.44Å; P180-I265 CarbonylContact C-O 3.46Å; P180-I265 WeakPolarHBondContact CA-O 3.49Å; P180-I265 HydrophobicContact CB-CB 3.7Å; P180-I265 HydrophobicContact CB-CG1 4.27Å; P180-I265 CarbonylContact O-C 3.49Å; P180-I265 WeakPolarHBondContact O-CA 3.35Å; P180-I265 WeakPolarHBondContact O-CB 3.32Å; P180-I265 WeakPolarHBondContact O-CG2 3.27Å; P180-R266 VanDerWaalsContact O-CB 3.24Å; P180-R266 WeakPolarHBondContact O-CB 3.25Å; P180-R266 WeakPolarHBondContact O-CD 3.38Å; P180-R266 WeakPolarHBondContact O-CG 3.19Å; P180-R266 PolarHBondContact O-N 3.43Å
181N49.6Very low65Low99 Ų9936.8 Ų36.853%0.52920%0.198SC..THydrogen-bonded Turntrans-124.735.3-163.4-61.6-35.3000111.3E179 R266E179-N181 PolarHBondContact O-N 2.94Å; N181-R266 VanDerWaalsContact C-CD 3.43Å; N181-R266 VanDerWaalsContact CA-CD 3.43Å; N181-R266 PolarHBondContact O-NH1 3.18Å
182A57.8Low66Low14 Ų1436.5 Ų36.512%0.11620%0.195CC..  trans-97.5126.7160.700000116.3E179 W186 R266E179-A182 HydrophobicContact CB-CB 4.18Å; E179-A182 PolarHBondContact O-N 3.28Å; A182-W186 HydrophobicContact CB-CB 4.16Å; A182-W186 HydrophobicContact CB-CG 4.22Å; A182-R266 VanDerWaalsContact C-NE 3.3Å; A182-R266 VanDerWaalsContact N-CD 3.26Å; A182-R266 WeakPolarHBondContact O-CB 3.47Å; A182-R266 WeakPolarHBondContact O-CD 3.5Å; A182-R266 WeakPolarHBondContact O-CG 3.44Å; A182-R266 PolarHBondContact O-NE 2.64Å; A182-R266 VanDerWaalsContact O-NE 3.11Å
183P65.7Low66.6Low6 Ų638 Ų384%0.03921%0.207CC..  trans-59.6158.2-171.5-22.430.2000113.7Y154 W185 W186Y154-P183 HydrophobicContact CD2-CG 4.04Å; Y154-P183 HydrophobicContact CE1-CG 4.43Å; Y154-P183 HydrophobicContact CE2-CG 3.65Å; P183-W185 HydrophobicContact CB-CD2 3.54Å; P183-W185 HydrophobicContact CB-CE3 4.12Å; P183-W185 HydrophobicContact CB-CG 3.97Å; P183-W185 HydrophobicContact CB-CH2 4.2Å; P183-W185 HydrophobicContact CB-CZ2 3.61Å; P183-W185 HydrophobicContact CB-CZ3 4.43Å; P183-W185 HydrophobicContact CG-CD2 4.17Å; P183-W185 HydrophobicContact CG-CE3 4.37Å; P183-W185 HydrophobicContact CG-CH2 3.74Å; P183-W185 HydrophobicContact CG-CZ2 3.45Å; P183-W185 VanDerWaalsContact CG-CZ2 3.45Å; P183-W185 HydrophobicContact CG-CZ3 4.2Å; P183-W185 PolarHBondContact O-N 2.93Å; P183-W185 VanDerWaalsContact O-N 3.08Å; P183-W186 HydrophobicContact CB-CB 4.49Å; P183-W186 VanDerWaalsContact CD-CE3 3.47Å; P183-W186 HydrophobicContact CG-CE3 3.76Å; P183-W186 HydrophobicContact CG-CZ3 4.4Å; P183-W186 WeakPolarHBondContact O-CB 3.39Å; P183-W186 PolarHBondContact O-N 2.83Å
184I63.3Low67.8Low76 Ų7633.5 Ų33.539%0.3918%0.176SC..THydrogen-bonded Turntrans-56.4-31.7178.2-65.8160.1000111.5K140 Y269K140-I184 WeakPolarHBondContact CE-O 3.49Å; K140-I184 PolarHBondContact NZ-O 2.89Å; I184-Y269 HydrophobicContact CD1-CD2 3.83Å; I184-Y269 HydrophobicContact CD1-CE2 4.18Å; I184-Y269 HydrophobicContact CG1-CD2 4.22Å; I184-Y269 HydrophobicContact CG2-CD2 3.58Å; I184-Y269 HydrophobicContact CG2-CE2 4.34Å; I184-Y269 HydrophobicContact CG2-CG 3.91Å
185W75.7Confident69.8Low54 Ų5432 Ų3221%0.20517%0.168CC..THydrogen-bonded Turntrans-82.9-4.1176.749.2-105.9000114.3I144 L145 A146 V150 L151 Y154 P183I144-W185 CarbonylContact C-O 3.29Å; I144-W185 WeakPolarHBondContact CA-O 3.45Å; I144-W185 HydrophobicContact CB-CE3 4.42Å; I144-W185 WeakPolarHBondContact CB-O 3.47Å; I144-W185 HydrophobicContact CD1-CE3 4.12Å; I144-W185 HydrophobicContact CD1-CZ3 3.91Å; L145-W185 HydrophobicContact CB-CB 4.09Å; L145-W185 PolarHBondContact N-O 2.95Å; L145-W185 WeakPolarHBondContact O-CB 3.46Å; A146-W185 HydrophobicContact CB-CB 3.9Å; A146-W185 HydrophobicContact CB-CD2 3.54Å; A146-W185 HydrophobicContact CB-CE3 3.41Å; A146-W185 VanDerWaalsContact CB-CE3 3.41Å; A146-W185 HydrophobicContact CB-CG 3.78Å; A146-W185 HydrophobicContact CB-CZ3 4.04Å; V150-W185 HydrophobicContact CG1-CD2 4.26Å; V150-W185 HydrophobicContact CG1-CH2 4.46Å; V150-W185 HydrophobicContact CG1-CZ2 3.85Å; L151-W185 HydrophobicContact CD1-CH2 4.32Å; L151-W185 HydrophobicContact CD1-CZ3 4.1Å; Y154-W185 AromaticContact CD1-CH2 3.92Å; Y154-W185 HydrophobicContact CD1-CH2 3.92Å; Y154-W185 HydrophobicContact CD1-CZ2 4.5Å; Y154-W185 HydrophobicContact CD2-CH2 4.16Å; Y154-W185 AromaticContact CD2-CZ2 3.92Å; Y154-W185 HydrophobicContact CD2-CZ2 3.92Å; Y154-W185 AromaticContact CG-CH2 3.64Å; Y154-W185 HydrophobicContact CG-CH2 3.64Å; Y154-W185 AromaticContact CG-CZ2 3.8Å; Y154-W185 HydrophobicContact CG-CZ2 3.8Å; P183-W185 HydrophobicContact CB-CD2 3.54Å; P183-W185 HydrophobicContact CB-CE3 4.12Å; P183-W185 HydrophobicContact CB-CG 3.97Å; P183-W185 HydrophobicContact CB-CH2 4.2Å; P183-W185 HydrophobicContact CB-CZ2 3.61Å; P183-W185 HydrophobicContact CB-CZ3 4.43Å; P183-W185 HydrophobicContact CG-CD2 4.17Å; P183-W185 HydrophobicContact CG-CE3 4.37Å; P183-W185 HydrophobicContact CG-CH2 3.74Å; P183-W185 HydrophobicContact CG-CZ2 3.45Å; P183-W185 VanDerWaalsContact CG-CZ2 3.45Å; P183-W185 HydrophobicContact CG-CZ3 4.2Å; P183-W185 PolarHBondContact O-N 2.93Å; P183-W185 VanDerWaalsContact O-N 3.08Å
186W78.9Confident71.5Confident4 Ų430.4 Ų30.42%0.01516%0.159CC..  trans-73.7147.4177.1-146.6-94.6000111.3L151 Y154 F155 L168 F172 A182 P183L151-W186 HydrophobicContact CD1-CH2 4.18Å; L151-W186 HydrophobicContact CD1-CZ3 3.98Å; Y154-W186 HydrophobicContact CD1-CH2 4.22Å; Y154-W186 AromaticContact CD1-CZ3 3.68Å; Y154-W186 HydrophobicContact CD1-CZ3 3.68Å; Y154-W186 HydrophobicContact CE1-CE3 4.42Å; Y154-W186 AromaticContact CE1-CH2 3.99Å; Y154-W186 HydrophobicContact CE1-CH2 3.99Å; Y154-W186 AromaticContact CE1-CZ3 3.6Å; Y154-W186 HydrophobicContact CE1-CZ3 3.6Å; F155-W186 HydrophobicContact CZ-CH2 4.16Å; L168-W186 HydrophobicContact CD1-CH2 3.82Å; L168-W186 HydrophobicContact CD1-CZ2 3.7Å; F172-W186 AromaticContact CD1-NE1 3.74Å; F172-W186 AromaticContact CE1-CE2 3.75Å; F172-W186 AromaticContact CE1-CZ2 3.85Å; F172-W186 HydrophobicContact CE1-CZ2 3.85Å; F172-W186 AromaticContact CE1-NE1 3.45Å; F172-W186 AromaticContact CZ-CZ2 3.83Å; F172-W186 HydrophobicContact CZ-CZ2 3.83Å; A182-W186 HydrophobicContact CB-CB 4.16Å; A182-W186 HydrophobicContact CB-CG 4.22Å; P183-W186 HydrophobicContact CB-CB 4.49Å; P183-W186 VanDerWaalsContact CD-CE3 3.47Å; P183-W186 HydrophobicContact CG-CE3 3.76Å; P183-W186 HydrophobicContact CG-CZ3 4.4Å; P183-W186 WeakPolarHBondContact O-CB 3.39Å; P183-W186 PolarHBondContact O-N 2.83Å
187G77.8Confident73.4Confident1 Ų131.2 Ų31.21%0.0116%0.162CC..  trans-141.5-179.6179.900000112.1K140 G143 F172 N189K140-G187 CarbonylContact O-C 3.44Å; K140-G187 WeakPolarHBondContact O-CA 3.44Å; G143-G187 CarbonylContact O-C 3.23Å; G143-G187 WeakPolarHBondContact O-CA 3.41Å; F172-G187 WeakPolarHBondContact CD1-O 3.38Å; G187-N189 VanDerWaalsContact C-N 3.27Å; G187-N189 PolarHBondContact O-N 3.13Å
188R82.9Confident75.6Confident30 Ų3029.2 Ų29.211%0.11315%0.149CC..  trans-70.3-20.6-177.8-65.6-76-167.9153.910.8113.3K140 F172 L174 N175 L176 L190K140-R188 PolarHBondContact O-N 3.26Å; F172-R188 WeakPolarHBondContact CB-O 3.31Å; L174-R188 VanDerWaalsContact C-NH1 3.34Å; L174-R188 PolarHBondContact O-NH1 2.94Å; N175-R188 VanDerWaalsContact CA-NH1 3.32Å; N175-R188 PolarHBondContact OD1-NH1 3.25Å; N175-R188 PolarHBondContact OD1-NH2 3.25Å; L176-R188 HydrophobicContact CD1-CG 4.16Å; R188-L190 VanDerWaalsContact C-N 3.27Å; R188-L190 HydrophobicContact CB-CD2 4.13Å; R188-L190 HydrophobicContact CB-CG 4.17Å; R188-L190 PolarHBondContact O-N 3.45Å
189N89.9Confident77.8Confident1 Ų125.8 Ų25.81%0.00513%0.133CC..  trans50.744.7-178.1-171.934.1000112.8L133 I134 E135 I141 F142 F172 G187 N191 G192 S193L133-N189 PolarHBondContact O-ND2 3.47Å; I134-N189 WeakPolarHBondContact CA-OD1 3.21Å; E135-N189 PolarHBondContact N-OD1 3Å; I141-N189 PolarHBondContact O-N 2.72Å; F142-N189 CarbonylContact O-C 3.57Å; F142-N189 WeakPolarHBondContact O-CA 3.42Å; F172-N189 HydrophobicContact CB-CB 4.46Å; F172-N189 HydrophobicContact CD1-CB 3.36Å; F172-N189 HydrophobicContact CD2-CB 4.43Å; F172-N189 HydrophobicContact CE1-CB 3.61Å; F172-N189 HydrophobicContact CG-CB 3.84Å; F172-N189 HydrophobicContact CZ-CB 4.27Å; G187-N189 VanDerWaalsContact C-N 3.27Å; G187-N189 PolarHBondContact O-N 3.13Å; N189-N191 PolarHBondContact O-N 2.8Å; N189-G192 PolarHBondContact O-N 2.61Å; N189-G192 VanDerWaalsContact O-N 3.15Å; N189-G192 PolarHBondContact OD1-N 3.14Å; N189-S193 PolarHBondContact O-N 3.03Å
190L90Very high79.3Confident14 Ų1426.2 Ų26.27%0.07314%0.141CC..Hα-helixtrans-56.7-37.2-177.8-67-173.7000111.7I100 T103 W104 I141 F142 R188 S193 V194I100-L190 HydrophobicContact CG2-CD1 4.09Å; I100-L190 HydrophobicContact CG2-CD2 4.07Å; T103-L190 HydrophobicContact CG2-CD1 4.21Å; W104-L190 HydrophobicContact CB-CD1 4.44Å; W104-L190 HydrophobicContact CB-CD2 4.45Å; I141-L190 HydrophobicContact CG2-CD1 3.4Å; I141-L190 VanDerWaalsContact CG2-CD1 3.4Å; I141-L190 HydrophobicContact CG2-CG 4.1Å; I141-L190 WeakPolarHBondContact O-CB 3.21Å; I141-L190 WeakPolarHBondContact O-CG 3.47Å; I141-L190 PolarHBondContact O-N 2.94Å; F142-L190 PolarHBondContact O-N 2.9Å; R188-L190 VanDerWaalsContact C-N 3.27Å; R188-L190 HydrophobicContact CB-CD2 4.13Å; R188-L190 HydrophobicContact CB-CG 4.17Å; R188-L190 PolarHBondContact O-N 3.45Å; L190-S193 WeakPolarHBondContact O-CB 3.21Å; L190-S193 PolarHBondContact O-N 3.15Å; L190-V194 WeakPolarHBondContact O-CG2 3.46Å; L190-V194 PolarHBondContact O-N 3.28Å
191N93.5Very high81Confident2 Ų226.5 Ų26.51%0.01114%0.139CC..Hα-helixtrans-63-50.6177.2-175.831.7000111.4L22 V24 L107 E135 F142 N189 S193 V194 L195L22-N191 PolarHBondContact O-ND2 2.86Å; V24-N191 HydrophobicContact CG1-CB 3.65Å; V24-N191 VanDerWaalsContact CG1-CG 3.44Å; L107-N191 HydrophobicContact CD2-CB 4.25Å; E135-N191 VanDerWaalsContact OE2-CB 3.27Å; E135-N191 WeakPolarHBondContact OE2-CB 3.46Å; E135-N191 PolarHBondContact OE2-ND2 3.37Å; F142-N191 WeakPolarHBondContact O-CB 3.46Å; F142-N191 PolarHBondContact O-N 2.93Å; N189-N191 PolarHBondContact O-N 2.8Å; N191-S193 VanDerWaalsContact C-N 3.27Å; N191-S193 PolarHBondContact O-N 3.26Å; N191-V194 PolarHBondContact O-N 3.17Å; N191-L195 WeakPolarHBondContact O-CB 3.27Å; N191-L195 WeakPolarHBondContact O-CG 3.41Å; N191-L195 PolarHBondContact O-N 3.42Å; N191-L195 WeakPolarHBondContact OD1-CD1 3.37Å
192G91.6Very high82.5Confident0 Ų023.5 Ų23.50%012%0.122CC..Hα-helixtrans-54.6-44.5174.100000112.2L133 N189 M196L133-G192 VanDerWaalsContact O-CA 3.26Å; L133-G192 WeakPolarHBondContact O-CA 3.31Å; N189-G192 PolarHBondContact O-N 2.61Å; N189-G192 VanDerWaalsContact O-N 3.15Å; N189-G192 PolarHBondContact OD1-N 3.14Å; G192-M196 VanDerWaalsContact O-CB 3.29Å; G192-M196 WeakPolarHBondContact O-CB 3.39Å; G192-M196 WeakPolarHBondContact O-CE 3.27Å; G192-M196 WeakPolarHBondContact O-CG 3.39Å; G192-M196 PolarHBondContact O-N 3.36Å
193S88.9Confident82.9Confident44 Ų4426.5 Ų26.531%0.30814%0.137SC..Hα-helixtrans-58.9-54.5177.7-179.50000112.7W104 N189 L190 N191 L195 M196 Q197W104-S193 PolarHBondContact NE1-OG 3.24Å; N189-S193 PolarHBondContact O-N 3.03Å; L190-S193 WeakPolarHBondContact O-CB 3.21Å; L190-S193 PolarHBondContact O-N 3.15Å; N191-S193 VanDerWaalsContact C-N 3.27Å; N191-S193 PolarHBondContact O-N 3.26Å; S193-L195 PolarHBondContact O-N 3.16Å; S193-M196 PolarHBondContact O-N 3.14Å; S193-Q197 PolarHBondContact O-N 2.86Å
194V90.3Very high82.7Confident0 Ų031.6 Ų31.60%016%0.164CC..Hα-helixtrans-59.4-47.3178.9169.90000111.3W104 L107 Y108 C111 L190 N191 M196 Q197 L198W104-V194 HydrophobicContact CD2-CG2 3.96Å; W104-V194 HydrophobicContact CG-CG2 4Å; W104-V194 HydrophobicContact CZ2-CG2 4Å; L107-V194 HydrophobicContact CB-CG2 4.33Å; L107-V194 HydrophobicContact CD2-CB 4.3Å; L107-V194 HydrophobicContact CD2-CG2 4.04Å; L107-V194 HydrophobicContact CG-CB 4.31Å; L107-V194 HydrophobicContact CG-CG1 4.24Å; L107-V194 HydrophobicContact CG-CG2 4.11Å; Y108-V194 HydrophobicContact CD2-CG1 4.13Å; C111-V194 HydrophobicContact CB-CG1 4.17Å; L190-V194 WeakPolarHBondContact O-CG2 3.46Å; L190-V194 PolarHBondContact O-N 3.28Å; N191-V194 PolarHBondContact O-N 3.17Å; V194-M196 VanDerWaalsContact C-N 3.35Å; V194-M196 PolarHBondContact O-N 3.31Å; V194-Q197 PolarHBondContact O-N 3.34Å; V194-L198 HydrophobicContact CG1-CD1 3.88Å; V194-L198 HydrophobicContact CG1-CG 4.43Å; V194-L198 PolarHBondContact O-N 2.95Å
195L92.7Very high82.4Confident0 Ų035.3 Ų35.30%018%0.184CC..Hα-helixtrans-62.5-41.8180-68.5175.4000111.7I15 L22 F121 L125 L133 N191 S193 Q197 R199I15-L195 HydrophobicContact CD1-CD1 3.8Å; L22-L195 HydrophobicContact CB-CD1 3.91Å; F121-L195 HydrophobicContact CE2-CD2 4.11Å; F121-L195 HydrophobicContact CZ-CD2 3.56Å; L125-L195 HydrophobicContact CD1-CB 4.03Å; L125-L195 HydrophobicContact CD1-CD2 4.45Å; L125-L195 HydrophobicContact CD2-CD2 4.24Å; L133-L195 HydrophobicContact CD1-CB 3.66Å; L133-L195 HydrophobicContact CD1-CD1 4.29Å; N191-L195 WeakPolarHBondContact O-CB 3.27Å; N191-L195 WeakPolarHBondContact O-CG 3.41Å; N191-L195 PolarHBondContact O-N 3.42Å; N191-L195 WeakPolarHBondContact OD1-CD1 3.37Å; S193-L195 PolarHBondContact O-N 3.16Å; L195-Q197 VanDerWaalsContact C-N 3.34Å; L195-R199 VanDerWaalsContact O-CB 3.23Å; L195-R199 WeakPolarHBondContact O-CB 3.07Å; L195-R199 PolarHBondContact O-N 2.85Å
196M90.1Very high81.1Confident29 Ų2940.5 Ų40.514%0.14322%0.216CC..Hα-helixtrans-65.6-37.9177-73.9-170.5-70.800112.2I132 L133 L169 G192 S193 V194 S200I132-M196 HydrophobicContact CB-SD 4.33Å; I132-M196 HydrophobicContact CG2-CE 4.14Å; I132-M196 HydrophobicContact CG2-SD 3.98Å; L133-M196 HydrophobicContact CB-CG 4.16Å; L133-M196 HydrophobicContact CD1-CG 4.17Å; L133-M196 HydrophobicContact CG-CG 3.96Å; L169-M196 HydrophobicContact CD2-CE 3.7Å; L169-M196 HydrophobicContact CD2-SD 4.18Å; G192-M196 VanDerWaalsContact O-CB 3.29Å; G192-M196 WeakPolarHBondContact O-CB 3.39Å; G192-M196 WeakPolarHBondContact O-CE 3.27Å; G192-M196 WeakPolarHBondContact O-CG 3.39Å; G192-M196 PolarHBondContact O-N 3.36Å; S193-M196 PolarHBondContact O-N 3.14Å; V194-M196 VanDerWaalsContact C-N 3.35Å; V194-M196 PolarHBondContact O-N 3.31Å; M196-S200 PolarHBondContact O-N 3.46Å
197Q87.1Confident79.6Confident61 Ų6142.8 Ų42.829%0.28524%0.235SC..Hα-helixtrans-66.8-49.1175.6-177.1164.7-16.800111.2Y108 S193 V194 L195 R199 S200 F201Y108-Q197 HydrophobicContact CE2-CG 4.26Å; S193-Q197 PolarHBondContact O-N 2.86Å; V194-Q197 PolarHBondContact O-N 3.34Å; L195-Q197 VanDerWaalsContact C-N 3.34Å; Q197-R199 VanDerWaalsContact C-N 3.3Å; Q197-R199 PolarHBondContact O-N 3Å; Q197-S200 WeakPolarHBondContact O-CB 3.41Å; Q197-S200 PolarHBondContact O-N 2.94Å; Q197-S200 PolarHBondContact O-OG 3.45Å; Q197-F201 HydrophobicContact CG-CE2 3.74Å; Q197-F201 HydrophobicContact CG-CZ 4.2Å; Q197-F201 WeakPolarHBondContact O-CD2 3.42Å
198L87.7Confident78.4Confident1 Ų149.8 Ų49.81%0.00527%0.266CS..Hα-helixtrans-61.7-36.9176.4-73.9173.7000112.9Y108 C111 L112 L115 L125 V194 S200 F201 I202Y108-L198 HydrophobicContact CD2-CD2 4.13Å; Y108-L198 HydrophobicContact CD2-CG 4.14Å; Y108-L198 HydrophobicContact CE1-CD2 4.33Å; Y108-L198 HydrophobicContact CE2-CD2 3.49Å; Y108-L198 VanDerWaalsContact CE2-CD2 3.49Å; Y108-L198 HydrophobicContact CE2-CG 3.82Å; C111-L198 HydrophobicContact CB-CD1 3.27Å; L112-L198 HydrophobicContact CB-CD2 4.24Å; L112-L198 HydrophobicContact CD1-CD2 3.94Å; L115-L198 HydrophobicContact CD1-CB 3.96Å; L115-L198 HydrophobicContact CD1-CD1 4.09Å; L115-L198 HydrophobicContact CD1-CD2 4.11Å; L115-L198 HydrophobicContact CD1-CG 4.29Å; L125-L198 HydrophobicContact CD2-CB 4.35Å; V194-L198 HydrophobicContact CG1-CD1 3.88Å; V194-L198 HydrophobicContact CG1-CG 4.43Å; V194-L198 PolarHBondContact O-N 2.95Å; L198-S200 PolarHBondContact O-N 3.38Å; L198-F201 HydrophobicContact CD2-CD2 4.37Å; L198-F201 PolarHBondContact O-N 3.04Å; L198-I202 PolarHBondContact O-N 3.3Å
199R89.1Confident76.8Confident21 Ų2150.8 Ų50.88%0.07928%0.281CS..Hα-helixtrans-59.4-30.5174.8-174179.862.8-160.8-6.5112.6L125 L128 N131 L195 Q197 F201 N203L125-R199 HydrophobicContact CD1-CB 4.04Å; L125-R199 HydrophobicContact CD1-CG 4.43Å; L125-R199 HydrophobicContact CD2-CB 4.31Å; L125-R199 HydrophobicContact CG-CB 3.91Å; L125-R199 HydrophobicContact CG-CG 4.27Å; L125-R199 VanDerWaalsContact O-CD 3.24Å; L125-R199 WeakPolarHBondContact O-CD 3.46Å; L125-R199 WeakPolarHBondContact O-CG 3.3Å; L128-R199 PolarHBondContact O-NH1 2.93Å; N131-R199 VanDerWaalsContact O-CZ 3.22Å; N131-R199 PolarHBondContact O-NH1 3.27Å; N131-R199 PolarHBondContact O-NH2 3.2Å; L195-R199 VanDerWaalsContact O-CB 3.23Å; L195-R199 WeakPolarHBondContact O-CB 3.07Å; L195-R199 PolarHBondContact O-N 2.85Å; Q197-R199 VanDerWaalsContact C-N 3.3Å; Q197-R199 PolarHBondContact O-N 3Å; R199-F201 VanDerWaalsContact C-N 3.34Å; R199-N203 PolarHBondContact O-ND2 3.19Å
200S80.8Confident75Confident59 Ų5958.4 Ų58.441%0.41332%0.321SS..Hα-helixtrans-65.9-37.9175.476.40000111.7M196 Q197 L198 D204M196-S200 PolarHBondContact O-N 3.46Å; Q197-S200 WeakPolarHBondContact O-CB 3.41Å; Q197-S200 PolarHBondContact O-N 2.94Å; Q197-S200 PolarHBondContact O-OG 3.45Å; L198-S200 PolarHBondContact O-N 3.38Å; S200-D204 PolarHBondContact O-N 3.12Å
201F78.2Confident73.5Confident40 Ų4059.5 Ų59.518%0.17533%0.328CS..Hα-helixtrans-77.2-23.3-179.8-56-51.7000114.4Y108 Q197 L198 R199 N203 D204 A207 A209Y108-F201 HydrophobicContact CE2-CE2 4.35Å; Y108-F201 VanDerWaalsContact OH-CE2 3.26Å; Y108-F201 WeakPolarHBondContact OH-CE2 3.45Å; Q197-F201 HydrophobicContact CG-CE2 3.74Å; Q197-F201 HydrophobicContact CG-CZ 4.2Å; Q197-F201 WeakPolarHBondContact O-CD2 3.42Å; L198-F201 HydrophobicContact CD2-CD2 4.37Å; L198-F201 PolarHBondContact O-N 3.04Å; R199-F201 VanDerWaalsContact C-N 3.34Å; F201-N203 PolarHBondContact O-N 3.12Å; F201-D204 PolarHBondContact O-N 2.88Å; F201-A207 WeakPolarHBondContact CD1-O 3.38Å; F201-A207 WeakPolarHBondContact CE1-O 3.48Å; F201-A209 HydrophobicContact CE1-CB 4.48Å; F201-A209 HydrophobicContact CZ-CB 4.03Å
202I80.3Confident72.1Confident36 Ų3664.7 Ų64.719%0.18535%0.353CS..THydrogen-bonded Turntrans-62.4-25176.5-64.3170.6000111.6L115 K122 L125 A126 L198L115-I202 HydrophobicContact CD1-CD1 4.36Å; L115-I202 HydrophobicContact CD1-CG1 4.43Å; L115-I202 HydrophobicContact CD2-CD1 3.65Å; L115-I202 HydrophobicContact CD2-CG1 4.31Å; K122-I202 HydrophobicContact CG-CD1 4.42Å; L125-I202 HydrophobicContact CB-CD1 4.26Å; L125-I202 HydrophobicContact CD2-CD1 3.94Å; L125-I202 HydrophobicContact CG-CD1 4.11Å; A126-I202 HydrophobicContact CB-CG2 4.08Å; L198-I202 PolarHBondContact O-N 3.3Å
203N66Low71.1Confident78 Ų7866 Ų6642%0.41736%0.359SS..THydrogen-bonded Turntrans-102.5-21.2-179.2-64.1-60.8000114R199 F201R199-N203 PolarHBondContact O-ND2 3.19Å; F201-N203 PolarHBondContact O-N 3.12Å
204D62.4Low70.4Confident113 Ų11366 Ų6660%0.60437%0.366SS*.  trans-108.293.7177-87.7-35.1000109.6S200 F201 N206S200-D204 PolarHBondContact O-N 3.12Å; F201-D204 PolarHBondContact O-N 2.88Å; D204-N206 PolarHBondContact O-N 3.48Å
205D55.7Low69.8Low153 Ų15373.7 Ų73.782%0.81840%0.395SS*.THydrogen-bonded Turntrans-57.61.1-179.5-78.3-35.7000115.1
206N48.5Very low68.9Low164 Ų16474.6 Ų74.688%0.87740%0.402SS*.THydrogen-bonded Turntrans-137.216.3-164.7-81.3-41.8000117D204D204-N206 PolarHBondContact O-N 3.48Å
207A47.4Very low68.5Low51 Ų5174.1 Ų74.142%0.42140%0.4SS..  trans-137.976.3179.400000112.4F201 A209F201-A207 WeakPolarHBondContact CD1-O 3.38Å; F201-A207 WeakPolarHBondContact CE1-O 3.48Å; A207-A209 PolarHBondContact O-N 2.88Å; A207-A209 VanDerWaalsContact O-N 3.07Å
208F52.4Low68.3Low148 Ų14875.5 Ų75.565%0.64941%0.41SS*.  trans-71.3101.6156.8-91.9-88.4000107.2L112 D210L112-F208 HydrophobicContact CD1-CE1 3.71Å; L112-F208 HydrophobicContact CD1-CZ 3.82Å; L112-F208 HydrophobicContact CD2-CE1 3.8Å; L112-F208 HydrophobicContact CD2-CZ 4.47Å; L112-F208 HydrophobicContact CG-CE1 4.4Å; F208-D210 PolarHBondContact O-N 3.4Å
209A51Low68Low51 Ų5180.7 Ų80.742%0.42143%0.434SS..  trans-55.8134.6167.400000107.7F201 A207 V211F201-A209 HydrophobicContact CE1-CB 4.48Å; F201-A209 HydrophobicContact CZ-CB 4.03Å; A207-A209 PolarHBondContact O-N 2.88Å; A207-A209 VanDerWaalsContact O-N 3.07Å; A209-V211 HydrophobicContact CB-CG2 4.32Å; A209-V211 WeakPolarHBondContact O-CG2 3.48Å; A209-V211 PolarHBondContact O-N 3.39Å
210D52.2Low67.9Low161 Ų16179.7 Ų79.786%0.86143%0.43SS*.  trans-69.169.3176.3-147.58.5000107.7F208 Q212F208-D210 PolarHBondContact O-N 3.4Å; D210-Q212 PolarHBondContact O-N 2.96Å; D210-Q212 VanDerWaalsContact O-N 3.16Å
211V58.4Low68.1Low37 Ų3781.5 Ų81.522%0.22443%0.428CS..  trans-65118.5177.6-177.40000104.4W104 Y108 A209 I213W104-V211 HydrophobicContact CH2-CG1 4.26Å; W104-V211 HydrophobicContact CZ3-CG1 3.73Å; Y108-V211 HydrophobicContact CE1-CG2 4.45Å; A209-V211 HydrophobicContact CB-CG2 4.32Å; A209-V211 WeakPolarHBondContact O-CG2 3.48Å; A209-V211 PolarHBondContact O-N 3.39Å; V211-I213 HydrophobicContact CB-CD1 4.19Å; V211-I213 HydrophobicContact CB-CG1 3.78Å; V211-I213 HydrophobicContact CG1-CD1 4.11Å; V211-I213 HydrophobicContact CG1-CG1 3.38Å; V211-I213 PolarHBondContact O-N 3.39Å
212Q62.2Low68.4Low112 Ų11282.2 Ų82.252%0.52344%0.438SS..  trans-73.847.9-178.7-63-174.2-1.500111.2D210 G214 R215 A216D210-Q212 PolarHBondContact O-N 2.96Å; D210-Q212 VanDerWaalsContact O-N 3.16Å; Q212-G214 VanDerWaalsContact C-N 3.26Å; Q212-G214 PolarHBondContact O-N 2.88Å; Q212-R215 HydrophobicContact CB-CB 4.08Å; Q212-R215 HydrophobicContact CB-CG 4.22Å; Q212-R215 PolarHBondContact O-N 3.11Å; Q212-R215 VanDerWaalsContact OE1-CD 3.28Å; Q212-A216 PolarHBondContact O-N 3.34Å; Q212-A216 VanDerWaalsContact O-N 3.08Å
213I71.3Confident68.5Low27 Ų2781.8 Ų81.814%0.13844%0.436CS..Hα-helixtrans-51.2-49.6-179.8-61.8179.1000109.3C105 Y108 E109 V211 R215 A216 I217C105-I213 HydrophobicContact CB-CG2 4.12Å; Y108-I213 HydrophobicContact CD1-CD1 3.68Å; Y108-I213 HydrophobicContact CE1-CD1 4.07Å; E109-I213 HydrophobicContact CG-CD1 4.22Å; E109-I213 HydrophobicContact CG-CG2 3.99Å; E109-I213 WeakPolarHBondContact OE1-CG2 3.31Å; V211-I213 HydrophobicContact CB-CD1 4.19Å; V211-I213 HydrophobicContact CB-CG1 3.78Å; V211-I213 HydrophobicContact CG1-CD1 4.11Å; V211-I213 HydrophobicContact CG1-CG1 3.38Å; V211-I213 PolarHBondContact O-N 3.39Å; I213-R215 VanDerWaalsContact C-N 3.33Å; I213-R215 PolarHBondContact O-N 3.26Å; I213-A216 PolarHBondContact O-N 3.42Å; I213-I217 HydrophobicContact CG2-CD1 3.8Å; I213-I217 WeakPolarHBondContact O-CG1 3.45Å; I213-I217 PolarHBondContact O-N 3.07Å; I213-I217 VanDerWaalsContact O-N 3.1Å
214G74.9Confident69.4Low43 Ų4378.7 Ų78.744%0.44342%0.418SS..Hα-helixtrans-58.4-41.4177.600000113.1Q212 D218Q212-G214 VanDerWaalsContact C-N 3.26Å; Q212-G214 PolarHBondContact O-N 2.88Å; G214-D218 VanDerWaalsContact O-CB 3.27Å; G214-D218 WeakPolarHBondContact O-CB 3.38Å; G214-D218 PolarHBondContact O-N 2.9Å
215R77.3Confident70.5Confident162 Ų16276.9 Ų76.961%0.61141%0.407SS*.Hα-helixtrans-68.9-42-179.3-65.8-167.9-171.4173.2-7.9112.6Q212 I213 I217 D218 E219Q212-R215 HydrophobicContact CB-CB 4.08Å; Q212-R215 HydrophobicContact CB-CG 4.22Å; Q212-R215 PolarHBondContact O-N 3.11Å; Q212-R215 VanDerWaalsContact OE1-CD 3.28Å; I213-R215 VanDerWaalsContact C-N 3.33Å; I213-R215 PolarHBondContact O-N 3.26Å; R215-I217 VanDerWaalsContact C-N 3.34Å; R215-D218 PolarHBondContact O-N 2.93Å; R215-E219 WeakPolarHBondContact O-CB 3.36Å; R215-E219 PolarHBondContact O-N 3.3Å
216A73.2Confident71.8Confident19 Ų1975.6 Ų75.616%0.15740%0.395CS..Hα-helixtrans-66.3-38.4179.400000111.8Q212 I213 F220Q212-A216 PolarHBondContact O-N 3.34Å; Q212-A216 VanDerWaalsContact O-N 3.08Å; I213-A216 PolarHBondContact O-N 3.42Å; A216-F220 PolarHBondContact O-N 3.36Å
217I81.2Confident73.5Confident19 Ų1968.8 Ų68.810%0.09736%0.359CS..Hα-helixtrans-65.9-46.8174.4-67.2171.9000110.7Y102 C105 I106 I213 R215 E219 F220 R221Y102-I217 HydrophobicContact CD2-CG1 4.1Å; Y102-I217 HydrophobicContact CE2-CG1 4.18Å; Y102-I217 HydrophobicContact CE2-CG2 4.16Å; C105-I217 HydrophobicContact CB-CG1 4.38Å; I106-I217 HydrophobicContact CD1-CD1 3.89Å; I106-I217 HydrophobicContact CD1-CG1 4.43Å; I213-I217 HydrophobicContact CG2-CD1 3.8Å; I213-I217 WeakPolarHBondContact O-CG1 3.45Å; I213-I217 PolarHBondContact O-N 3.07Å; I213-I217 VanDerWaalsContact O-N 3.1Å; R215-I217 VanDerWaalsContact C-N 3.34Å; I217-E219 VanDerWaalsContact C-N 3.33Å; I217-E219 PolarHBondContact O-N 3.32Å; I217-F220 PolarHBondContact O-N 3.33Å; I217-R221 WeakPolarHBondContact O-CB 3.41Å; I217-R221 PolarHBondContact O-N 3.49Å
218D83.9Confident75.2Confident91 Ų9168.9 Ų68.949%0.48735%0.35SS..Hα-helixtrans-66.1-35178.7-71.8-26.8000112.1G214 R215 R221 S222G214-D218 VanDerWaalsContact O-CB 3.27Å; G214-D218 WeakPolarHBondContact O-CB 3.38Å; G214-D218 PolarHBondContact O-N 2.9Å; R215-D218 PolarHBondContact O-N 2.93Å; D218-R221 PolarHBondContact O-N 3.3Å; D218-R221 IonicContact OD1-NH1 3.92Å; D218-R221 PolarHBondContact OD1-NH1 3.39Å; D218-S222 WeakPolarHBondContact O-CB 3.22Å; D218-S222 PolarHBondContact O-N 3.02Å
219E82.1Confident76.4Confident109 Ų10965.2 Ų65.251%0.50934%0.339SS..Hα-helixtrans-64.9-50.4175.6-179173.6-163.300111R215 I217 R221 S222 I223R215-E219 WeakPolarHBondContact O-CB 3.36Å; R215-E219 PolarHBondContact O-N 3.3Å; I217-E219 VanDerWaalsContact C-N 3.33Å; I217-E219 PolarHBondContact O-N 3.32Å; E219-R221 VanDerWaalsContact C-N 3.34Å; E219-R221 PolarHBondContact O-N 3.11Å; E219-S222 PolarHBondContact O-N 3.29Å; E219-I223 HydrophobicContact CG-CD1 3.78Å; E219-I223 WeakPolarHBondContact O-CB 3.36Å; E219-I223 VanDerWaalsContact O-CG1 3.3Å; E219-I223 WeakPolarHBondContact O-CG1 3.35Å; E219-I223 PolarHBondContact O-N 3.41Å
220F85.4Confident77.4Confident1 Ų164.8 Ų64.80%0.00433%0.334CS..Hα-helixtrans-57.8-46.7174.9174.9-102.4000111.5L48 I52 L95 C98 L99 Y102 A216 I217 S222 I223 Y224L48-F220 HydrophobicContact CD1-CE1 4.05Å; L48-F220 HydrophobicContact CD1-CZ 4.21Å; I52-F220 HydrophobicContact CG2-CE1 3.69Å; I52-F220 HydrophobicContact CG2-CZ 4.02Å; L95-F220 HydrophobicContact CD2-CE2 4.29Å; C98-F220 HydrophobicContact CB-CB 4.45Å; C98-F220 HydrophobicContact CB-CD2 3.79Å; L99-F220 HydrophobicContact CB-CE2 4.19Å; L99-F220 HydrophobicContact CD1-CE2 3.92Å; L99-F220 HydrophobicContact CD1-CZ 3.82Å; Y102-F220 HydrophobicContact CD2-CB 4.19Å; Y102-F220 AromaticContact CD2-CD1 3.76Å; Y102-F220 HydrophobicContact CD2-CD1 3.76Å; Y102-F220 HydrophobicContact CD2-CE1 4.5Å; Y102-F220 HydrophobicContact CD2-CG 4.14Å; Y102-F220 HydrophobicContact CE2-CD1 4.15Å; Y102-F220 HydrophobicContact CG-CD1 4.11Å; Y102-F220 HydrophobicContact CG-CG 4.3Å; A216-F220 PolarHBondContact O-N 3.36Å; I217-F220 PolarHBondContact O-N 3.33Å; F220-S222 PolarHBondContact O-N 3.03Å; F220-I223 PolarHBondContact O-N 3Å; F220-Y224 VanDerWaalsContact O-CB 3.3Å; F220-Y224 WeakPolarHBondContact O-CB 3.4Å; F220-Y224 PolarHBondContact O-N 3.22Å
221R85.5Confident78Confident96 Ų9658 Ų5836%0.36230%0.299SS..Hα-helixtrans-62.4-44.2178.7-168.7-172.5-67.4142.7-2.3111.8D51 I217 D218 E219 E225D51-R221 IonicContact OD1-CZ 3.75Å; D51-R221 IonicContact OD1-NE 3.44Å; D51-R221 IonicContact OD1-NH2 3.68Å; D51-R221 PolarHBondContact OD1-NH2 2.89Å; I217-R221 WeakPolarHBondContact O-CB 3.41Å; I217-R221 PolarHBondContact O-N 3.49Å; D218-R221 PolarHBondContact O-N 3.3Å; D218-R221 IonicContact OD1-NH1 3.92Å; D218-R221 PolarHBondContact OD1-NH1 3.39Å; E219-R221 VanDerWaalsContact C-N 3.34Å; E219-R221 PolarHBondContact O-N 3.11Å; R221-E225 WeakPolarHBondContact O-CB 3.44Å; R221-E225 PolarHBondContact O-N 3.47Å
222S85.4Confident78.2Confident56 Ų5661.6 Ų61.639%0.39231%0.313SS..Hα-helixtrans-63.8-46.4179.7-177.60000111.4D218 E219 F220 Q226D218-S222 WeakPolarHBondContact O-CB 3.22Å; D218-S222 PolarHBondContact O-N 3.02Å; E219-S222 PolarHBondContact O-N 3.29Å; F220-S222 PolarHBondContact O-N 3.03Å; S222-Q226 VanDerWaalsContact O-CB 3.31Å; S222-Q226 WeakPolarHBondContact O-CB 3.28Å; S222-Q226 WeakPolarHBondContact O-CG 3.35Å; S222-Q226 PolarHBondContact O-N 3.39Å; S222-Q226 PolarHBondContact OG-NE2 2.87Å
223I82Confident77.9Confident26 Ų2662.4 Ų62.413%0.13332%0.317CS..Hα-helixtrans-64.7-46.9179-68169.1000109.8L94 L95 C98 E219 F220 E225 Q226 L227L94-I223 HydrophobicContact CD2-CG2 3.92Å; L94-I223 HydrophobicContact CG-CG2 4.28Å; L95-I223 HydrophobicContact CD2-CG2 4.1Å; C98-I223 VanDerWaalsContact SG-CD1 3.59Å; E219-I223 HydrophobicContact CG-CD1 3.78Å; E219-I223 WeakPolarHBondContact O-CB 3.36Å; E219-I223 VanDerWaalsContact O-CG1 3.3Å; E219-I223 WeakPolarHBondContact O-CG1 3.35Å; E219-I223 PolarHBondContact O-N 3.41Å; F220-I223 PolarHBondContact O-N 3Å; I223-E225 PolarHBondContact O-N 3.5Å; I223-Q226 PolarHBondContact O-N 3.47Å; I223-L227 HydrophobicContact CG2-CD1 3.78Å; I223-L227 HydrophobicContact CG2-CG 4.28Å; I223-L227 WeakPolarHBondContact O-CB 3.4Å; I223-L227 WeakPolarHBondContact O-CG 3.47Å; I223-L227 PolarHBondContact O-N 3.17Å
224Y84.5Confident76.9Confident13 Ų1368.8 Ų68.85%0.05134%0.344CS..Hα-helixtrans-58.3-46.9178.5-176.6-93.9000112.4I52 F84 F87 L95 F220 L227 K228I52-Y224 HydrophobicContact CB-CD1 4.13Å; I52-Y224 HydrophobicContact CB-CE1 3.71Å; I52-Y224 HydrophobicContact CB-CE2 4.37Å; I52-Y224 HydrophobicContact CG2-CD1 4.28Å; I52-Y224 HydrophobicContact CG2-CD2 4.41Å; I52-Y224 HydrophobicContact CG2-CE1 4.28Å; I52-Y224 HydrophobicContact CG2-CE2 4.39Å; I52-Y224 HydrophobicContact CG2-CG 4.36Å; I52-Y224 WeakPolarHBondContact O-CE1 3.38Å; F84-Y224 AromaticContact CD1-CE2 3.94Å; F84-Y224 HydrophobicContact CD1-CE2 3.94Å; F84-Y224 AromaticContact CE1-CD2 3.99Å; F84-Y224 HydrophobicContact CE1-CD2 3.99Å; F84-Y224 AromaticContact CE1-CE2 3.67Å; F84-Y224 HydrophobicContact CE1-CE2 3.67Å; F87-Y224 AromaticContact CE2-CD2 3.98Å; F87-Y224 HydrophobicContact CE2-CD2 3.98Å; F87-Y224 AromaticContact CE2-CE2 3.54Å; F87-Y224 HydrophobicContact CE2-CE2 3.54Å; F87-Y224 HydrophobicContact CZ-CD2 4.09Å; F87-Y224 AromaticContact CZ-CE2 3.78Å; F87-Y224 HydrophobicContact CZ-CE2 3.78Å; L95-Y224 HydrophobicContact CD1-CD2 4.31Å; L95-Y224 HydrophobicContact CD2-CD2 4.02Å; F220-Y224 VanDerWaalsContact O-CB 3.3Å; F220-Y224 WeakPolarHBondContact O-CB 3.4Å; F220-Y224 PolarHBondContact O-N 3.22Å; Y224-L227 PolarHBondContact O-N 2.9Å; Y224-K228 HydrophobicContact CE1-CD 3.94Å; Y224-K228 VanDerWaalsContact O-CB 3.28Å; Y224-K228 WeakPolarHBondContact O-CB 3.43Å; Y224-K228 PolarHBondContact O-N 3.04Å
225E85.8Confident75.4Confident76 Ų7673 Ų7336%0.35536%0.355SS..Hα-helixtrans-68.8-40.2178.6-77.2-62.5148.100112.8R221 I223 L227 K228 V229R221-E225 WeakPolarHBondContact O-CB 3.44Å; R221-E225 PolarHBondContact O-N 3.47Å; I223-E225 PolarHBondContact O-N 3.5Å; E225-L227 VanDerWaalsContact C-N 3.32Å; E225-L227 PolarHBondContact O-N 3.17Å; E225-K228 PolarHBondContact O-N 2.93Å; E225-K228 IonicContact OE1-NZ 2.85Å; E225-K228 PolarHBondContact OE1-NZ 3.28Å; E225-V229 WeakPolarHBondContact O-CG2 3.45Å; E225-V229 PolarHBondContact O-N 2.97Å
226Q83.1Confident73.7Confident125 Ų12572.4 Ų72.458%0.58436%0.359SS*.Hα-helixtrans-59.1-44.9174.9-77.2173.17.100111.6S222 I223 S230S222-Q226 VanDerWaalsContact O-CB 3.31Å; S222-Q226 WeakPolarHBondContact O-CB 3.28Å; S222-Q226 WeakPolarHBondContact O-CG 3.35Å; S222-Q226 PolarHBondContact O-N 3.39Å; S222-Q226 PolarHBondContact OG-NE2 2.87Å; I223-Q226 PolarHBondContact O-N 3.47Å; Q226-S230 PolarHBondContact O-N 2.96Å; Q226-S230 VanDerWaalsContact O-N 3.11Å
227L83.3Confident72Confident22 Ų2276 Ų7612%0.11538%0.382CS..Hα-helixtrans-65.6-41.4178.1-67.2177.2000111.4F87 Q91 L95 I223 Y224 E225 S230 S231F87-L227 HydrophobicContact CD1-CB 3.89Å; F87-L227 HydrophobicContact CE1-CB 3.62Å; F87-L227 HydrophobicContact CZ-CB 4.33Å; Q91-L227 HydrophobicContact CB-CD1 4.02Å; Q91-L227 HydrophobicContact CB-CD2 4.26Å; Q91-L227 HydrophobicContact CG-CD1 4.32Å; Q91-L227 HydrophobicContact CG-CD2 3.63Å; L95-L227 HydrophobicContact CD1-CD1 3.93Å; L95-L227 HydrophobicContact CD2-CD1 4.03Å; L95-L227 HydrophobicContact CG-CD1 3.77Å; I223-L227 HydrophobicContact CG2-CD1 3.78Å; I223-L227 HydrophobicContact CG2-CG 4.28Å; I223-L227 WeakPolarHBondContact O-CB 3.4Å; I223-L227 WeakPolarHBondContact O-CG 3.47Å; I223-L227 PolarHBondContact O-N 3.17Å; Y224-L227 PolarHBondContact O-N 2.9Å; E225-L227 VanDerWaalsContact C-N 3.32Å; E225-L227 PolarHBondContact O-N 3.17Å; L227-S230 PolarHBondContact O-N 3.39Å; L227-S230 PolarHBondContact O-OG 3.33Å; L227-S231 PolarHBondContact O-N 2.69Å; L227-S231 PolarHBondContact O-OG 3.08Å
228K83Confident69.9Low53 Ų5382.6 Ų82.623%0.2342%0.418CS..Hα-helixtrans-65.4-39179.9-174.4179175.2-174.90112.9F87 Y224 E225 S231 Q232F87-K228 HydrophobicContact CE1-CB 4.24Å; F87-K228 HydrophobicContact CZ-CB 4.24Å; Y224-K228 HydrophobicContact CE1-CD 3.94Å; Y224-K228 VanDerWaalsContact O-CB 3.28Å; Y224-K228 WeakPolarHBondContact O-CB 3.43Å; Y224-K228 PolarHBondContact O-N 3.04Å; E225-K228 PolarHBondContact O-N 2.93Å; E225-K228 IonicContact OE1-NZ 2.85Å; E225-K228 PolarHBondContact OE1-NZ 3.28Å; K228-S231 PolarHBondContact O-OG 2.76Å; K228-Q232 WeakPolarHBondContact O-CG 3.48Å; K228-Q232 PolarHBondContact O-N 3.31Å
229V79.3Confident67.5Low70 Ų7082.7 Ų82.742%0.42443%0.425SS..Hα-helixtrans-66-45.2173.7173.90000110.3E225 S231 Q232 E233E225-V229 WeakPolarHBondContact O-CG2 3.45Å; E225-V229 PolarHBondContact O-N 2.97Å; V229-S231 VanDerWaalsContact C-N 3.29Å; V229-S231 PolarHBondContact O-N 2.9Å; V229-Q232 PolarHBondContact O-N 2.92Å; V229-E233 WeakPolarHBondContact O-CG 3.38Å; V229-E233 PolarHBondContact O-N 3.49Å
230S71.6Confident65Low43 Ų4380.2 Ų80.230%0.30143%0.429SS..Hα-helixtrans-62.6-32.7-179.177.30000113.8Q226 L227Q226-S230 PolarHBondContact O-N 2.96Å; Q226-S230 VanDerWaalsContact O-N 3.11Å; L227-S230 PolarHBondContact O-N 3.39Å; L227-S230 PolarHBondContact O-OG 3.33Å
231S64.6Low62.4Low19 Ų1988.3 Ų88.313%0.13347%0.471CS..Hα-helixtrans-78-33.3177.256.60000112.5L227 K228 V229 L235L227-S231 PolarHBondContact O-N 2.69Å; L227-S231 PolarHBondContact O-OG 3.08Å; K228-S231 PolarHBondContact O-OG 2.76Å; V229-S231 VanDerWaalsContact C-N 3.29Å; V229-S231 PolarHBondContact O-N 2.9Å; S231-L235 PolarHBondContact O-N 3.25Å
232Q63.4Low59.8Low111 Ų11192.5 Ų92.552%0.51950%0.495SS..Hα-helixtrans-68.8-36.3173.6-73.6-177.8-8.600112.9K228 V229 K234 L235 H236K228-Q232 WeakPolarHBondContact O-CG 3.48Å; K228-Q232 PolarHBondContact O-N 3.31Å; V229-Q232 PolarHBondContact O-N 2.92Å; Q232-K234 VanDerWaalsContact C-N 3.34Å; Q232-K234 PolarHBondContact O-N 3.1Å; Q232-L235 PolarHBondContact O-N 3.01Å; Q232-H236 PolarHBondContact O-N 3.41Å
233E55.8Low57.4Low129 Ų12994.8 Ų94.860%0.60351%0.511SS*.Hα-helixtrans-64.1-38176.9-73.5178.8168.300112.1V229 L235 H236 C237V229-E233 WeakPolarHBondContact O-CG 3.38Å; V229-E233 PolarHBondContact O-N 3.49Å; E233-L235 PolarHBondContact O-N 3.01Å; E233-H236 PolarHBondContact O-N 2.84Å; E233-C237 PolarHBondContact O-N 2.91Å
234K49.6Very low55.1Low162 Ų162100.6 Ų100.670%0.70454%0.542SS*.Hα-helixtrans-65.5-35.5174.7-77.9-178.9177.1177.10113.1Q232Q232-K234 VanDerWaalsContact C-N 3.34Å; Q232-K234 PolarHBondContact O-N 3.1Å
235L42.4Very low52.5Low130 Ų130105 Ų10568%0.68158%0.576SS**Hα-helixtrans-73.5-29178.7-82154.8000113.2S231 Q232 E233S231-L235 PolarHBondContact O-N 3.25Å; Q232-L235 PolarHBondContact O-N 3.01Å; E233-L235 PolarHBondContact O-N 3.01Å
236H43.3Very low49.8Very low150 Ų150106.6 Ų106.669%0.69460%0.595SS**Hα-helixtrans-79.5-30.8177-91.1-56.9000113.6Q232 E233 D238 S239Q232-H236 PolarHBondContact O-N 3.41Å; E233-H236 PolarHBondContact O-N 2.84Å; H236-D238 VanDerWaalsContact C-N 3.33Å; H236-D238 PolarHBondContact O-N 2.87Å; H236-S239 PolarHBondContact O-N 3.02Å; H236-S239 PolarHBondContact O-OG 3.38Å
237C37.4Very low47.3Very low96 Ų96105.4 Ų105.465%0.64960%0.6SS**Hα-helixtrans-68-24.8178.9-81.20000114.7E233 S239E233-C237 PolarHBondContact O-N 2.91Å; C237-S239 VanDerWaalsContact C-N 3.32Å; C237-S239 PolarHBondContact O-N 2.99Å
238D36.8Very low44.7Very low157 Ų157111.5 Ų111.584%0.8463%0.633SS**THydrogen-bonded Turntrans-84.50179.5-82.1-17.9000114.3H236H236-D238 VanDerWaalsContact C-N 3.33Å; H236-D238 PolarHBondContact O-N 2.87Å
239S34Very low42.1Very low92 Ų92113.3 Ų113.364%0.64365%0.652SS**THydrogen-bonded Turntrans-110.98.2-17363.50000115.9H236 C237H236-S239 PolarHBondContact O-N 3.02Å; H236-S239 PolarHBondContact O-OG 3.38Å; C237-S239 VanDerWaalsContact C-N 3.32Å; C237-S239 PolarHBondContact O-N 2.99Å
240G29.6Very low39.6Very low58 Ų58118.9 Ų118.960%0.59867%0.671SS**  trans-170.287176.700000115.5
241L31.1Very low37.6Very low170 Ų170122.3 Ų122.389%0.8969%0.69SS**  trans-141.181.2161.9-79.1172.1000110.7
242E30.9Very low35.8Very low185 Ų185125.6 Ų125.686%0.86471%0.713SS**  trans-87.7136.2146.8-78.9-172157.700108.8
243S33.9Very low34.3Very low103 Ų103128.3 Ų128.372%0.7273%0.731SS**SBendtrans74.9110.8161.165.90000120.9
244D32.9Very low32.9Very low148 Ų148124.9 Ų124.979%0.79173%0.731SS**  75.896.3128.5-61.6-16000122
245S29.8Very low31.8Very low107 Ų107125.3 Ų125.375%0.74874%0.741SS**  81.2121120.474.40000121.4
246S29.8Very low31.1Very low108 Ų108122.7 Ų122.776%0.75574%0.738SS**  trans95.9126.613775.40000121.3
247S31.1Very low30.3Very low100 Ų100125.2 Ų125.270%0.69975%0.747SS**  trans77.9112.4148.856.90000121.3
248D29.1Very low29.6Very low150 Ų150125.8 Ų125.880%0.80275%0.752SS**  73.4108.6125.3-62.6-17.8000121.5
249S27.7Very low29.1Very low91 Ų91123.5 Ų123.564%0.63675%0.748SS**  91.5146.3117.470.80000120.5
250F27.7Very low28.6Very low187 Ų187126.6 Ų126.682%0.8276%0.758SS**  trans79.5138.8165.9-67.1-87.5000117.2
251V29.1Very low28.4Very low115 Ų115131.2 Ų131.270%0.69777%0.768SS**  cis-168.5153-12.31090000108
252S27.1Very low28Very low89 Ų89128.6 Ų128.662%0.62276%0.761SS**  trans-28.5148.8165.356.80000119.2
253D30.4Very low27.8Very low167 Ų167124.2 Ų124.289%0.89374%0.742SS**  trans-172.4138.3130.3-85.1-21.7000106.5
254G27.4Very low27.5Very low58 Ų58123 Ų12360%0.59873%0.727SS**  cis143.2129.713.600000107.6
255D26.9Very low27.2Very low171 Ų171120.2 Ų120.291%0.91471%0.711SS**  trans66.6151.2151.3-58.6-23.4000118.8
256A26.5Very low27Very low74 Ų74119.4 Ų119.461%0.61269%0.692SS**  cis-179.8150.2-10.600000104.3
257F26.6Very low27Very low204 Ų204116 Ų11690%0.89567%0.665SS**  trans161.296.3131.6-97.7-80.4000110.6
258S23.2Very low27.1Very low108 Ų108112.6 Ų112.676%0.75564%0.64SS**  trans-56.3139.8154.758.40000111.3
259S26.2Very low27.2Very low108 Ų108110 Ų11076%0.75562%0.62SS**  -170.9138.6129.4470000112.4
260N24Very low27.3Very low158 Ų158107 Ų10785%0.84560%0.597SS**  trans-61.8130.7175.7-57.8-64.5000111.8
261L24.9Very low27.5Very low154 Ų154100 Ų10081%0.80657%0.566SS**  trans-154.8145148.8-100.3123.4000111.2
262P23.3Very low27.7Very low116 Ų11696.2 Ų96.275%0.75354%0.541SS*.  trans-90.1128-167.833.7-24.7000111.1
263M26.7Very low27.9Very low92 Ų9299 Ų9945%0.45354%0.543SS..  trans-112.4101.2176.1-81.5179-17300110.8T177 E178T177-M263 VanDerWaalsContact C-CE 3.44Å; T177-M263 WeakPolarHBondContact O-CE 3.3Å; T177-M263 WeakPolarHBondContact O-CG 3.16Å; E178-M263 HydrophobicContact CB-CE 4.47Å; E178-M263 HydrophobicContact CG-CE 3.74Å
264N26.7Very low27.9Very low79 Ų7994.5 Ų94.542%0.42252%0.518SS..  trans-95.7148.4161.8-131.4-36.5000107.3P180 D458P180-N264 WeakPolarHBondContact CA-O 3.43Å; P180-N264 HydrophobicContact CB-CB 4.36Å; P180-N264 WeakPolarHBondContact CB-O 3.4Å; P180-N264 HydrophobicContact CG-CB 4.29Å; P180-N264 WeakPolarHBondContact CG-O 3.44Å; N264-D458 PolarHBondContact OD1-O 3.34Å
265I27.4Very low28Very low89 Ų8992.9 Ų92.946%0.45650%0.497SS..SBendtrans62.2148.2157.7-35.9176.8000120.3P180P180-I265 CarbonylContact C-O 3.46Å; P180-I265 WeakPolarHBondContact CA-O 3.49Å; P180-I265 HydrophobicContact CB-CB 3.7Å; P180-I265 HydrophobicContact CB-CG1 4.27Å; P180-I265 CarbonylContact O-C 3.49Å; P180-I265 WeakPolarHBondContact O-CA 3.35Å; P180-I265 WeakPolarHBondContact O-CB 3.32Å; P180-I265 WeakPolarHBondContact O-CG2 3.27Å
266R25.6Very low28.2Very low89 Ų8987.9 Ų87.934%0.33647%0.47SS..  trans74.849.5176.3-91.1145.5159.5-1588.3120.5P180 N181 A182P180-R266 VanDerWaalsContact O-CB 3.24Å; P180-R266 WeakPolarHBondContact O-CB 3.25Å; P180-R266 WeakPolarHBondContact O-CD 3.38Å; P180-R266 WeakPolarHBondContact O-CG 3.19Å; P180-R266 PolarHBondContact O-N 3.43Å; N181-R266 VanDerWaalsContact C-CD 3.43Å; N181-R266 VanDerWaalsContact CA-CD 3.43Å; N181-R266 PolarHBondContact O-NH1 3.18Å; A182-R266 VanDerWaalsContact C-NE 3.3Å; A182-R266 VanDerWaalsContact N-CD 3.26Å; A182-R266 WeakPolarHBondContact O-CB 3.47Å; A182-R266 WeakPolarHBondContact O-CD 3.5Å; A182-R266 WeakPolarHBondContact O-CG 3.44Å; A182-R266 PolarHBondContact O-NE 2.64Å; A182-R266 VanDerWaalsContact O-NE 3.11Å
267N30.3Very low28.2Very low38 Ų3885.9 Ų85.920%0.20346%0.457CS..  trans-131.763.8167.6-77.8-35.1000114.2L270 F271N267-L270 WeakPolarHBondContact OD1-CB 3.21Å; N267-F271 HydrophobicContact CB-CB 3.86Å; N267-F271 HydrophobicContact CB-CD2 4.19Å; N267-F271 HydrophobicContact CB-CG 4.48Å; N267-F271 VanDerWaalsContact O-CB 3.29Å; N267-F271 WeakPolarHBondContact O-CB 3.29Å
268V31.9Very low28.3Very low27 Ų2781.8 Ų81.816%0.16445%0.449CS..SBendtrans-88.2-29.2165.6-178.20000111.9I272 W453 P461V268-I272 VanDerWaalsContact O-CD1 3.24Å; V268-I272 WeakPolarHBondContact O-CD1 3.45Å; V268-I272 WeakPolarHBondContact O-CG1 3.25Å; V268-W453 HydrophobicContact CB-CZ2 4.44Å; V268-W453 HydrophobicContact CG1-CH2 3.88Å; V268-W453 HydrophobicContact CG1-CZ2 4.05Å; V268-W453 HydrophobicContact CG2-CH2 4.21Å; V268-W453 HydrophobicContact CG2-CZ2 3.89Å; V268-P461 HydrophobicContact CG2-CB 4.33Å; V268-P461 HydrophobicContact CG2-CG 3.7Å
269Y30.6Very low29.1Very low95 Ų9578.3 Ų78.337%0.37342%0.423SS..SBendtrans-110.5-17176.1-78.9-92.4000114.3I184I184-Y269 HydrophobicContact CD1-CD2 3.83Å; I184-Y269 HydrophobicContact CD1-CE2 4.18Å; I184-Y269 HydrophobicContact CG1-CD2 4.22Å; I184-Y269 HydrophobicContact CG2-CD2 3.58Å; I184-Y269 HydrophobicContact CG2-CE2 4.34Å; I184-Y269 HydrophobicContact CG2-CG 3.91Å
270L31Very low29.7Very low30 Ų3075.8 Ų75.816%0.15740%0.399CS..SBendtrans-95-23.9175.8-125.374.8000113.4L176 N267 I272 F273 L274L176-L270 HydrophobicContact CB-CD2 3.76Å; N267-L270 WeakPolarHBondContact OD1-CB 3.21Å; L270-I272 VanDerWaalsContact C-N 3.27Å; L270-I272 PolarHBondContact O-N 2.89Å; L270-F273 CarbonylContact O-C 3.41Å; L270-F273 WeakPolarHBondContact O-CA 3.42Å; L270-F273 PolarHBondContact O-N 3.36Å; L270-L274 HydrophobicContact CB-CD1 4.02Å; L270-L274 HydrophobicContact CD2-CD1 3.52Å; L270-L274 HydrophobicContact CG-CD1 3.62Å; L270-L274 HydrophobicContact CG-CG 4.3Å; L270-L274 VanDerWaalsContact O-CB 3.27Å; L270-L274 WeakPolarHBondContact O-CB 3.25Å; L270-L274 WeakPolarHBondContact O-CG 3.43Å; L270-L274 PolarHBondContact O-N 3.05Å
271F31.1Very low31Very low40 Ų4073.1 Ų73.118%0.17539%0.385CS..Hα-helixtrans-68.3-32.7169.8-143.3-111.3000111.1N267 F273 C275 W283 F452 Y459 M501N267-F271 HydrophobicContact CB-CB 3.86Å; N267-F271 HydrophobicContact CB-CD2 4.19Å; N267-F271 HydrophobicContact CB-CG 4.48Å; N267-F271 VanDerWaalsContact O-CB 3.29Å; N267-F271 WeakPolarHBondContact O-CB 3.29Å; F271-F273 PolarHBondContact O-N 2.8Å; F271-C275 PolarHBondContact O-N 2.97Å; F271-W283 HydrophobicContact CE1-CZ2 4.45Å; F271-F452 HydrophobicContact CE1-CE1 4.38Å; F271-F452 HydrophobicContact CE1-CZ 4.24Å; F271-F452 HydrophobicContact CZ-CZ 4.42Å; F271-Y459 HydrophobicContact CE2-CD1 4.32Å; F271-Y459 HydrophobicContact CE2-CE1 4.14Å; F271-M501 HydrophobicContact CZ-SD 3.98Å
272I33.4Very low32.7Very low35 Ų3568 Ų6818%0.17936%0.358CS..Hα-helixtrans-71.1-14.3170.2-53.7177.3000110.7V268 L270 Q280 M449V268-I272 VanDerWaalsContact O-CD1 3.24Å; V268-I272 WeakPolarHBondContact O-CD1 3.45Å; V268-I272 WeakPolarHBondContact O-CG1 3.25Å; L270-I272 VanDerWaalsContact C-N 3.27Å; L270-I272 PolarHBondContact O-N 2.89Å; I272-Q280 VanDerWaalsContact O-CD 3.3Å; I272-Q280 WeakPolarHBondContact O-CG 3.22Å; I272-Q280 PolarHBondContact O-NE2 3.44Å; I272-M449 HydrophobicContact CD1-CE 3.48Å; I272-M449 VanDerWaalsContact CD1-CE 3.48Å; I272-M449 HydrophobicContact CD1-SD 4.23Å; I272-M449 HydrophobicContact CG1-CE 4.01Å
273F31Very low34.7Very low148 Ų14862.8 Ų62.865%0.64932%0.323SS*.Hα-helixtrans-107.6-20.1178.6-119.4-89.4000115.1L270 F271L270-F273 CarbonylContact O-C 3.41Å; L270-F273 WeakPolarHBondContact O-CA 3.42Å; L270-F273 PolarHBondContact O-N 3.36Å; F271-F273 PolarHBondContact O-N 2.8Å
274L30.3Very low36.5Very low72 Ų7264.7 Ų64.738%0.37733%0.331SS..Hα-helixtrans-107.8-10.8-174.6-71.4161.6000113.9T177 L270 L276T177-L274 HydrophobicContact CG2-CD1 3.51Å; T177-L274 HydrophobicContact CG2-CD2 4.42Å; L270-L274 HydrophobicContact CB-CD1 4.02Å; L270-L274 HydrophobicContact CD2-CD1 3.52Å; L270-L274 HydrophobicContact CG-CD1 3.62Å; L270-L274 HydrophobicContact CG-CG 4.3Å; L270-L274 VanDerWaalsContact O-CB 3.27Å; L270-L274 WeakPolarHBondContact O-CB 3.25Å; L270-L274 WeakPolarHBondContact O-CG 3.43Å; L270-L274 PolarHBondContact O-N 3.05Å; L274-L276 PolarHBondContact O-N 3.43Å
275C30Very low38.4Very low23 Ų2367 Ų6716%0.15533%0.333CS..SBendtrans-79.384.1159.6-69.60000108.7F271 V279 Q280F271-C275 PolarHBondContact O-N 2.97Å; C275-V279 HydrophobicContact CB-CB 3.78Å; C275-V279 HydrophobicContact CB-CG1 3.68Å; C275-Q280 PolarHBondContact O-N 3.15Å
276L30.8Very low40.3Very low66 Ų6667.9 Ų67.935%0.34635%0.348SS..  trans17.5108.8153.6-61.2166.6000114.7Q89 E90 V93 L274 T278 V279Q89-L276 HydrophobicContact CB-CB 4.33Å; Q89-L276 HydrophobicContact CB-CD2 4.04Å; Q89-L276 VanDerWaalsContact CG-C 3.49Å; Q89-L276 HydrophobicContact CG-CB 3.54Å; Q89-L276 HydrophobicContact CG-CD2 3.45Å; Q89-L276 VanDerWaalsContact CG-CD2 3.45Å; Q89-L276 HydrophobicContact CG-CG 4.09Å; E90-L276 HydrophobicContact CG-CD2 4.3Å; V93-L276 HydrophobicContact CG2-CD2 4.45Å; L274-L276 PolarHBondContact O-N 3.43Å; L276-T278 CarbonylContact O-C 3.52Å; L276-T278 PolarHBondContact O-N 3.4Å; L276-V279 WeakPolarHBondContact O-CB 3.28Å; L276-V279 WeakPolarHBondContact O-CG2 3.29Å; L276-V279 PolarHBondContact O-N 3.03Å
277G27.2Very low42.6Very low33 Ų3366.5 Ų66.534%0.3435%0.347SS..THydrogen-bonded Turntrans-272177.500000122.9
278T28.8Very low45.1Very low118 Ų11865.7 Ų65.772%0.72434%0.342SS*.THydrogen-bonded Turntrans-95.6-24.3156.343.90000113.4L276L276-T278 CarbonylContact O-C 3.52Å; L276-T278 PolarHBondContact O-N 3.4Å
279V38.9Very low47.5Very low34 Ų3466.9 Ų66.921%0.20635%0.349CS..SBendtrans-94.4-20.8-176.1-167.50000112.3C275 L276 N281 I282C275-V279 HydrophobicContact CB-CB 3.78Å; C275-V279 HydrophobicContact CB-CG1 3.68Å; L276-V279 WeakPolarHBondContact O-CB 3.28Å; L276-V279 WeakPolarHBondContact O-CG2 3.29Å; L276-V279 PolarHBondContact O-N 3.03Å; V279-N281 PolarHBondContact O-N 3.31Å; V279-N281 VanDerWaalsContact O-N 3.16Å; V279-I282 HydrophobicContact CG1-CB 4.27Å; V279-I282 HydrophobicContact CG1-CG2 3.53Å; V279-I282 WeakPolarHBondContact O-CB 3.46Å; V279-I282 WeakPolarHBondContact O-CG2 3.23Å; V279-I282 PolarHBondContact O-N 2.99Å
280Q39Very low50.2Low55 Ų5562.4 Ų62.426%0.25733%0.332SS..THydrogen-bonded Turntrans-53.1-34.7170.4-109.4-179.8-12.600113I272 C275I272-Q280 VanDerWaalsContact O-CD 3.3Å; I272-Q280 WeakPolarHBondContact O-CG 3.22Å; I272-Q280 PolarHBondContact O-NE2 3.44Å; C275-Q280 PolarHBondContact O-N 3.15Å
281N52.1Low52.8Low103 Ų10361 Ų6155%0.55132%0.324SS*.THydrogen-bonded Turntrans-79.7-21.3174.4-81.1-30.6000113.4V279 W283 Q284 R285V279-N281 PolarHBondContact O-N 3.31Å; V279-N281 VanDerWaalsContact O-N 3.16Å; N281-W283 PolarHBondContact O-N 2.89Å; N281-Q284 PolarHBondContact O-N 2.86Å; N281-R285 VanDerWaalsContact O-CB 3.29Å; N281-R285 WeakPolarHBondContact O-CB 3.23Å; N281-R285 VanDerWaalsContact O-CG 3.22Å; N281-R285 WeakPolarHBondContact O-CG 3.45Å; N281-R285 PolarHBondContact O-N 3.14Å
282I60.3Low55.3Low45 Ų4563 Ų6323%0.23133%0.33CS..THydrogen-bonded Turntrans-70.1-34-171.1-140.5170.6000113.1V279 R285 F288 L497V279-I282 HydrophobicContact CG1-CB 4.27Å; V279-I282 HydrophobicContact CG1-CG2 3.53Å; V279-I282 WeakPolarHBondContact O-CB 3.46Å; V279-I282 WeakPolarHBondContact O-CG2 3.23Å; V279-I282 PolarHBondContact O-N 2.99Å; I282-R285 WeakPolarHBondContact O-CB 3.37Å; I282-F288 HydrophobicContact CD1-CE2 4.35Å; I282-F288 HydrophobicContact CD1-CZ 4.13Å; I282-F288 HydrophobicContact CG1-CE2 3.48Å; I282-F288 VanDerWaalsContact CG1-CE2 3.48Å; I282-F288 HydrophobicContact CG1-CZ 3.74Å; I282-L497 HydrophobicContact CD1-CD1 3.56Å; I282-L497 HydrophobicContact CG1-CD1 3.68Å; I282-L497 HydrophobicContact CG2-CD1 4.22Å
283W66.3Low57.5Low8 Ų861.8 Ų61.83%0.0333%0.325CS..THydrogen-bonded Turntrans-80.7-21.8179.3-62.2110.6000112.8F271 N281 F291 T446 A448 M449 F452 L497 P500F271-W283 HydrophobicContact CE1-CZ2 4.45Å; N281-W283 PolarHBondContact O-N 2.89Å; W283-F291 HydrophobicContact CH2-CE2 4.02Å; W283-F291 HydrophobicContact CZ3-CD2 4.44Å; W283-F291 HydrophobicContact CZ3-CE2 4.16Å; W283-T446 WeakPolarHBondContact O-CB 3.35Å; W283-T446 VanDerWaalsContact O-CG2 3.22Å; W283-T446 WeakPolarHBondContact O-CG2 2.99Å; W283-T446 PolarHBondContact O-OG1 2.99Å; W283-A448 HydrophobicContact CE3-CB 3.85Å; W283-A448 HydrophobicContact CZ3-CB 4.16Å; W283-M449 HydrophobicContact CB-CG 4.48Å; W283-M449 HydrophobicContact CE3-CG 4.23Å; W283-F452 HydrophobicContact CH2-CB 3.8Å; W283-F452 HydrophobicContact CH2-CD1 4.37Å; W283-F452 AromaticContact CH2-CD2 3.91Å; W283-F452 HydrophobicContact CH2-CD2 3.91Å; W283-F452 AromaticContact CH2-CG 3.77Å; W283-F452 HydrophobicContact CH2-CG 3.77Å; W283-F452 HydrophobicContact CZ3-CB 3.96Å; W283-F452 HydrophobicContact CZ3-CG 4.41Å; W283-L497 HydrophobicContact CE3-CD2 3.88Å; W283-L497 HydrophobicContact CZ3-CD2 3.81Å; W283-P500 HydrophobicContact CH2-CG 3.83Å; W283-P500 HydrophobicContact CZ2-CG 3.41Å; W283-P500 VanDerWaalsContact CZ2-CG 3.41Å
284Q64.4Low59.6Low131 Ų13158.4 Ų58.461%0.61232%0.319SS*.THydrogen-bonded Turntrans-92.7-15.4176.5-64.1-173.7-500112.5N281 S286N281-Q284 PolarHBondContact O-N 2.86Å; Q284-S286 PolarHBondContact O-N 3.2Å
285R66.3Low61.4Low127 Ų12762 Ų6248%0.47933%0.332SS..  trans-61.2113.6174.7-99.9179.782162.46.2110.3N281 I282 D287 F288N281-R285 VanDerWaalsContact O-CB 3.29Å; N281-R285 WeakPolarHBondContact O-CB 3.23Å; N281-R285 VanDerWaalsContact O-CG 3.22Å; N281-R285 WeakPolarHBondContact O-CG 3.45Å; N281-R285 PolarHBondContact O-N 3.14Å; I282-R285 WeakPolarHBondContact O-CB 3.37Å; R285-D287 VanDerWaalsContact C-N 3.27Å; R285-D287 WeakPolarHBondContact CB-OD1 3.34Å; R285-D287 WeakPolarHBondContact CG-OD1 3.23Å; R285-D287 IonicContact CZ-OD1 3.93Å; R285-D287 IonicContact CZ-OD2 3.83Å; R285-D287 IonicContact NE-OD1 2.8Å; R285-D287 PolarHBondContact NE-OD1 3.43Å; R285-D287 IonicContact NE-OD2 3.48Å; R285-D287 PolarHBondContact NE-OD2 3.03Å; R285-D287 IonicContact NH2-OD1 2.7Å; R285-D287 IonicContact NH2-OD2 2.8Å; R285-D287 PolarHBondContact NH2-OD2 3.47Å; R285-F288 HydrophobicContact CB-CD2 3.81Å; R285-F288 HydrophobicContact CB-CE2 3.78Å; R285-F288 HydrophobicContact CG-CE2 4.49Å
286S67.7Low63.5Low109 Ų10964.7 Ų64.776%0.76234%0.339SS*.THydrogen-bonded Turntrans-81.1-5.7179.452.50000113.4Q284Q284-S286 PolarHBondContact O-N 3.2Å
287D74.4Confident65.9Low59 Ų5964.5 Ų64.532%0.31634%0.34SS..THydrogen-bonded Turntrans-76.6-25.9-17863.1-58.2000112.8R285 V495R285-D287 VanDerWaalsContact C-N 3.27Å; R285-D287 WeakPolarHBondContact CB-OD1 3.34Å; R285-D287 WeakPolarHBondContact CG-OD1 3.23Å; R285-D287 IonicContact CZ-OD1 3.93Å; R285-D287 IonicContact CZ-OD2 3.83Å; R285-D287 IonicContact NE-OD1 2.8Å; R285-D287 PolarHBondContact NE-OD1 3.43Å; R285-D287 IonicContact NE-OD2 3.48Å; R285-D287 PolarHBondContact NE-OD2 3.03Å; R285-D287 IonicContact NH2-OD1 2.7Å; R285-D287 IonicContact NH2-OD2 2.8Å; R285-D287 PolarHBondContact NH2-OD2 3.47Å; D287-V495 WeakPolarHBondContact O-CB 3.39Å; D287-V495 WeakPolarHBondContact O-CG2 3.25Å
288F81.8Confident68.6Low22 Ų2263 Ų6310%0.09632%0.324CS..  trans-66.8133.3173.2-63.9-69.2000110.9I282 R285 F300 V495 L497I282-F288 HydrophobicContact CD1-CE2 4.35Å; I282-F288 HydrophobicContact CD1-CZ 4.13Å; I282-F288 HydrophobicContact CG1-CE2 3.48Å; I282-F288 VanDerWaalsContact CG1-CE2 3.48Å; I282-F288 HydrophobicContact CG1-CZ 3.74Å; R285-F288 HydrophobicContact CB-CD2 3.81Å; R285-F288 HydrophobicContact CB-CE2 3.78Å; R285-F288 HydrophobicContact CG-CE2 4.49Å; F288-F300 HydrophobicContact CB-CD2 4.45Å; F288-F300 HydrophobicContact CB-CE2 3.59Å; F288-F300 HydrophobicContact CB-CZ 4.39Å; F288-F300 WeakPolarHBondContact O-CD2 3.29Å; F288-F300 WeakPolarHBondContact O-CE2 3.28Å; F288-V495 CarbonylContact C-O 3.54Å; F288-V495 WeakPolarHBondContact CA-O 3.28Å; F288-V495 HydrophobicContact CD1-CB 4.47Å; F288-V495 HydrophobicContact CD1-CG1 3.65Å; F288-V495 HydrophobicContact CE1-CG1 4.01Å; F288-V495 HydrophobicContact CG-CG1 4.42Å; F288-L497 HydrophobicContact CB-CB 4.13Å; F288-L497 HydrophobicContact CD1-CB 3.62Å; F288-L497 HydrophobicContact CD1-CD1 4.49Å; F288-L497 VanDerWaalsContact CD1-N 3.3Å; F288-L497 HydrophobicContact CD2-CB 4.2Å; F288-L497 HydrophobicContact CD2-CD1 4.3Å; F288-L497 HydrophobicContact CD2-CD2 4.48Å; F288-L497 HydrophobicContact CE1-CB 4.02Å; F288-L497 HydrophobicContact CE1-CD1 4.13Å; F288-L497 HydrophobicContact CE2-CD1 3.94Å; F288-L497 HydrophobicContact CG-CB 3.72Å; F288-L497 HydrophobicContact CZ-CB 4.48Å; F288-L497 HydrophobicContact CZ-CD1 3.85Å
289T83.3Confident71.4Confident51 Ų5158.3 Ų58.331%0.31330%0.295SS..  trans-109.1-16.3176.558.50000112.3F300 R494 V495T289-F300 PolarHBondContact O-N 2.83Å; T289-R494 WeakPolarHBondContact OG1-CA 3.31Å; T289-V495 PolarHBondContact N-O 3.29Å; T289-V495 PolarHBondContact OG1-N 3.45Å
290C85.8Confident73.8Confident1 Ų158.1 Ų58.11%0.00729%0.291CS..EExtended strand (participates in β ladder)trans-141.5149.6-176.1-67.30000111.4V297 I298 F300 V495 I496 L497C290-V297 HydrophobicContact CB-CG1 3.87Å; C290-I298 CarbonylContact C-O 3.54Å; C290-I298 WeakPolarHBondContact CA-O 3.44Å; C290-F300 VanDerWaalsContact C-CZ 3.5Å; C290-V495 PolarHBondContact N-O 3.38Å; C290-I496 HydrophobicContact CB-CG1 4.04Å; C290-L497 PolarHBondContact O-N 2.86Å
291F85.8Confident76.1Confident0 Ų058.1 Ų58.10%030%0.297CS..EExtended strand (participates in β ladder)trans-111.8128.9167.1179.1-99000110.4W283 C293 V297 I298 F300 A451 F452 L455 L497 C499W283-F291 HydrophobicContact CH2-CE2 4.02Å; W283-F291 HydrophobicContact CZ3-CD2 4.44Å; W283-F291 HydrophobicContact CZ3-CE2 4.16Å; F291-C293 HydrophobicContact CD1-CB 4.42Å; F291-C293 HydrophobicContact CE1-CB 3.72Å; F291-C293 HydrophobicContact CZ-CB 4.4Å; F291-V297 WeakPolarHBondContact O-CA 3.31Å; F291-I298 PolarHBondContact N-O 2.86Å; F291-I298 PolarHBondContact O-N 3.28Å; F291-F300 HydrophobicContact CB-CE1 3.42Å; F291-F300 VanDerWaalsContact CB-CE1 3.42Å; F291-F300 HydrophobicContact CB-CZ 3.76Å; F291-A451 HydrophobicContact CB-CB 3.85Å; F291-A451 HydrophobicContact CD1-CB 4.24Å; F291-A451 HydrophobicContact CG-CB 4.24Å; F291-F452 HydrophobicContact CE1-CB 4.31Å; F291-F452 HydrophobicContact CE1-CD2 4.35Å; F291-F452 HydrophobicContact CE2-CB 4.35Å; F291-F452 HydrophobicContact CE2-CD2 4.33Å; F291-F452 HydrophobicContact CZ-CB 4.06Å; F291-F452 AromaticContact CZ-CD2 3.68Å; F291-F452 HydrophobicContact CZ-CD2 3.68Å; F291-F452 HydrophobicContact CZ-CG 4.37Å; F291-L455 HydrophobicContact CD1-CD1 4.16Å; F291-L455 HydrophobicContact CE1-CD1 4.21Å; F291-L497 CarbonylContact C-O 3.55Å; F291-L497 WeakPolarHBondContact CA-O 3.09Å; F291-L497 HydrophobicContact CD2-CB 4.2Å; F291-L497 HydrophobicContact CD2-CD2 3.97Å; F291-L497 HydrophobicContact CD2-CG 3.91Å; F291-L497 WeakPolarHBondContact CD2-O 3.42Å; F291-L497 HydrophobicContact CE2-CD2 4.46Å; F291-L497 HydrophobicContact CE2-CG 4.35Å; F291-C499 HydrophobicContact CE1-CB 4.22Å; F291-C499 HydrophobicContact CE2-CB 4.21Å; F291-C499 HydrophobicContact CZ-CB 3.57Å
292R83.1Confident78Confident82 Ų8254.6 Ų54.631%0.30928%0.277SS..EExtended strand (participates in β ladder)trans-108.5124.1178.5-175.4-170.1-58.7143.3-13.4110R296 V297 I496 L497 D498 C499 N504R292-R296 WeakPolarHBondContact CA-O 3.49Å; R292-V297 HydrophobicContact CB-CG2 4.38Å; R292-V297 HydrophobicContact CG-CG2 4.08Å; R292-I496 HydrophobicContact CB-CG2 3.48Å; R292-I496 VanDerWaalsContact CB-CG2 3.48Å; R292-L497 PolarHBondContact N-O 2.91Å; R292-D498 WeakPolarHBondContact CD-OD1 3.26Å; R292-D498 IonicContact CZ-OD1 3.45Å; R292-D498 IonicContact NE-OD1 3.49Å; R292-D498 IonicContact NH1-OD1 3.59Å; R292-D498 PolarHBondContact NH1-OD1 2.81Å; R292-D498 IonicContact NH1-OD2 3.56Å; R292-D498 PolarHBondContact NH1-OD2 2.77Å; R292-C499 VanDerWaalsContact O-CB 3.28Å; R292-C499 WeakPolarHBondContact O-CB 3.13Å; R292-C499 PolarHBondContact O-N 2.83Å; R292-N504 WeakPolarHBondContact CG-ND2 3Å; R292-N504 PolarHBondContact O-ND2 3.5Å; R292-N504 PolarHBondContact O-OD1 3.19Å
293C80.9Confident79.5Confident10 Ų1053.1 Ų53.17%0.06827%0.269CS..EExtended strand (participates in β ladder)trans-133.8123.5167.5177.80000110.5F291 K295 R296 L455 H456 C499 C503 N504F291-C293 HydrophobicContact CD1-CB 4.42Å; F291-C293 HydrophobicContact CE1-CB 3.72Å; F291-C293 HydrophobicContact CZ-CB 4.4Å; C293-K295 PolarHBondContact O-N 3Å; C293-R296 PolarHBondContact N-O 3.49Å; C293-R296 WeakPolarHBondContact O-CB 3.38Å; C293-R296 PolarHBondContact O-N 3.47Å; C293-L455 HydrophobicContact CB-CD1 3.64Å; C293-H456 PolarHBondContact SG-CE1 3.02Å; C293-H456 PolarHBondContact SG-NE2 2.67Å; C293-C499 HydrophobicContact CB-CB 3.81Å; C293-C503 VanDerWaalsContact SG-CB 3.56Å; C293-N504 VanDerWaalsContact C-OD1 3.27Å; C293-N504 WeakPolarHBondContact CA-OD1 3.47Å
294C73.8Confident80.7Confident78 Ų7853.9 Ų53.953%0.52728%0.276SS..THydrogen-bonded Turntrans49.3-118.2-167.7-590000111.2C503 N504C294-C503 PolarHBondContact SG-O 3.09Å; C294-N504 WeakPolarHBondContact CA-OD1 3.24Å; C294-N504 PolarHBondContact N-OD1 3.08Å
295K68.2Low81.9Confident148 Ų14847.9 Ų47.964%0.64325%0.248SC*.THydrogen-bonded Turntrans-95.12.6176.6-61.1-176.9179.6-179.50113.1C293 R478C293-K295 PolarHBondContact O-N 3Å; K295-R478 PolarHBondContact O-NH1 2.94Å
296R75.7Confident82.7Confident79 Ų7944.8 Ų44.830%0.29824%0.239SC..EExtended strand (participates in β ladder)trans-97.2131.3179.8-65.9-172.3164.4172.1-4.1109.2R292 C293 L455 D475R292-R296 WeakPolarHBondContact CA-O 3.49Å; C293-R296 PolarHBondContact N-O 3.49Å; C293-R296 WeakPolarHBondContact O-CB 3.38Å; C293-R296 PolarHBondContact O-N 3.47Å; R296-L455 HydrophobicContact CB-CD1 4.14Å; R296-L455 HydrophobicContact CB-CD2 4.43Å; R296-D475 IonicContact CZ-OD2 3.48Å; R296-D475 IonicContact NE-OD1 2.79Å; R296-D475 IonicContact NE-OD2 3.9Å; R296-D475 IonicContact NH2-OD1 3.48Å; R296-D475 IonicContact NH2-OD2 3.11Å; R296-D475 PolarHBondContact NH2-OD2 3.21Å
297V79.8Confident83.3Confident62 Ų6247.2 Ų47.238%0.37624%0.238SC..EExtended strand (participates in β ladder)trans-118.4123.7171-177.90000106.4C290 F291 R292C290-V297 HydrophobicContact CB-CG1 3.87Å; F291-V297 WeakPolarHBondContact O-CA 3.31Å; R292-V297 HydrophobicContact CB-CG2 4.38Å; R292-V297 HydrophobicContact CG-CG2 4.08Å
298I85Confident83.7Confident1 Ų150.6 Ų50.61%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-111.5118.9-179.7-60.8-65.3000106.9C290 F291 T416 A451 L455 L471 M474C290-I298 CarbonylContact C-O 3.54Å; C290-I298 WeakPolarHBondContact CA-O 3.44Å; F291-I298 PolarHBondContact N-O 2.86Å; F291-I298 PolarHBondContact O-N 3.28Å; I298-T416 HydrophobicContact CG2-CG2 3.87Å; I298-T416 VanDerWaalsContact CG2-OG1 3.23Å; I298-T416 WeakPolarHBondContact CG2-OG1 3.28Å; I298-A451 HydrophobicContact CB-CB 4Å; I298-A451 HydrophobicContact CG2-CB 3.52Å; I298-L455 HydrophobicContact CD1-CD2 4.33Å; I298-L455 HydrophobicContact CG1-CD1 3.69Å; I298-L455 HydrophobicContact CG1-CD2 4.29Å; I298-L455 HydrophobicContact CG1-CG 4.1Å; I298-L471 HydrophobicContact CD1-CD2 3.98Å; I298-M474 HydrophobicContact CD1-CE 4.01Å; I298-M474 HydrophobicContact CD1-SD 4.48Å
299N87.1Confident84Confident20 Ų2051.3 Ų51.311%0.10726%0.259CS..EExtended strand (participates in β ladder)trans-78142.1176.2-172.6-52.3000109.2S301 D414 T416N299-S301 PolarHBondContact O-N 3.28Å; N299-S301 WeakPolarHBondContact OD1-CB 3.48Å; N299-S301 PolarHBondContact OD1-N 3.25Å; N299-D414 VanDerWaalsContact CB-O 3.3Å; N299-D414 WeakPolarHBondContact CB-O 3.5Å; N299-D414 VanDerWaalsContact ND2-CG 3.26Å; N299-D414 PolarHBondContact ND2-OD1 3.3Å; N299-D414 PolarHBondContact ND2-OD2 3.14Å; N299-T416 PolarHBondContact N-OG1 2.88Å; N299-T416 WeakPolarHBondContact O-CB 3.36Å; N299-T416 PolarHBondContact O-OG1 2.91Å
300F89.8Confident84.1Confident30 Ų3053.9 Ų53.913%0.13227%0.268CS..SBendtrans-74-8179.4-66.2-15.2000114.6F288 T289 C290 F291 F302 P447 A448 A451 L497F288-F300 HydrophobicContact CB-CD2 4.45Å; F288-F300 HydrophobicContact CB-CE2 3.59Å; F288-F300 HydrophobicContact CB-CZ 4.39Å; F288-F300 WeakPolarHBondContact O-CD2 3.29Å; F288-F300 WeakPolarHBondContact O-CE2 3.28Å; T289-F300 PolarHBondContact O-N 2.83Å; C290-F300 VanDerWaalsContact C-CZ 3.5Å; F291-F300 HydrophobicContact CB-CE1 3.42Å; F291-F300 VanDerWaalsContact CB-CE1 3.42Å; F291-F300 HydrophobicContact CB-CZ 3.76Å; F300-F302 PolarHBondContact O-N 3.01Å; F300-P447 HydrophobicContact CB-CB 3.56Å; F300-P447 HydrophobicContact CB-CG 4.35Å; F300-P447 HydrophobicContact CD1-CB 4.04Å; F300-P447 HydrophobicContact CD2-CB 4.44Å; F300-P447 HydrophobicContact CG-CB 3.78Å; F300-A448 VanDerWaalsContact CE1-CA 3.41Å; F300-A448 HydrophobicContact CE1-CB 3.95Å; F300-A448 HydrophobicContact CE2-CB 3.83Å; F300-A448 VanDerWaalsContact CZ-CA 3.47Å; F300-A448 HydrophobicContact CZ-CB 3.42Å; F300-A448 VanDerWaalsContact CZ-CB 3.42Å; F300-A451 HydrophobicContact CD1-CB 4.3Å; F300-A451 HydrophobicContact CE1-CB 3.93Å; F300-L497 HydrophobicContact CZ-CB 4.5Å
301S87.7Confident84.3Confident54 Ų5455.3 Ų55.338%0.37828%0.28SS..  trans-79.8103.7170-169.50000110.5N299 R415 T416N299-S301 PolarHBondContact O-N 3.28Å; N299-S301 WeakPolarHBondContact OD1-CB 3.48Å; N299-S301 PolarHBondContact OD1-N 3.25Å; S301-R415 CarbonylContact O-C 3.52Å; S301-R415 VanDerWaalsContact O-CA 3.32Å; S301-R415 WeakPolarHBondContact O-CA 3.31Å; S301-R415 WeakPolarHBondContact O-CB 3.26Å; S301-T416 PolarHBondContact O-N 3.24Å
302F91.2Very high84.5Confident29 Ų2955.3 Ų55.313%0.12728%0.28CS..EExtended strand (participates in β ladder)trans-82.2142.4177.1-59.4-44.3000112.3F300 T416 L418 W433 F436 M440 P447 V450F300-F302 PolarHBondContact O-N 3.01Å; F302-T416 CarbonylContact C-O 3.55Å; F302-T416 WeakPolarHBondContact CA-O 3.27Å; F302-T416 HydrophobicContact CD1-CG2 3.76Å; F302-T416 HydrophobicContact CE1-CG2 3.94Å; F302-L418 HydrophobicContact CB-CD1 3.67Å; F302-L418 HydrophobicContact CB-CG 4.12Å; F302-L418 HydrophobicContact CD1-CD1 4.14Å; F302-L418 HydrophobicContact CD1-CD2 4.21Å; F302-L418 HydrophobicContact CD1-CG 4.33Å; F302-L418 HydrophobicContact CD2-CD1 4.36Å; F302-L418 HydrophobicContact CG-CD1 3.81Å; F302-L418 HydrophobicContact CG-CG 4.38Å; F302-W433 HydrophobicContact CB-CH2 4.3Å; F302-W433 HydrophobicContact CB-CZ3 4.39Å; F302-F436 AromaticContact CD2-CE1 3.89Å; F302-F436 HydrophobicContact CD2-CE1 3.89Å; F302-F436 HydrophobicContact CD2-CZ 4.26Å; F302-F436 HydrophobicContact CE2-CE1 4.25Å; F302-F436 HydrophobicContact CE2-CZ 4.21Å; F302-M440 HydrophobicContact CD2-SD 4.5Å; F302-M440 HydrophobicContact CE2-CE 4.07Å; F302-M440 HydrophobicContact CE2-SD 4.13Å; F302-P447 HydrophobicContact CE2-CB 3.82Å; F302-P447 HydrophobicContact CE2-CG 4.26Å; F302-P447 HydrophobicContact CZ-CB 3.76Å; F302-V450 HydrophobicContact CE1-CG1 4.3Å; F302-V450 HydrophobicContact CE2-CB 4.28Å; F302-V450 HydrophobicContact CE2-CG1 4.28Å; F302-V450 HydrophobicContact CE2-CG2 4.43Å; F302-V450 HydrophobicContact CZ-CB 3.79Å; F302-V450 HydrophobicContact CZ-CG1 3.76Å; F302-V450 HydrophobicContact CZ-CG2 4.41Å
303L91.5Very high84.8Confident14 Ų1451.5 Ų51.57%0.07327%0.266CS..EExtended strand (participates in β ladder)trans-128.6109.5174.9-174.874.1000109.6F309 T412 R415 T416 L417 L418L303-F309 HydrophobicContact CD1-CD2 4.14Å; L303-F309 HydrophobicContact CD1-CE2 3.91Å; L303-F309 HydrophobicContact CD2-CD1 4.35Å; L303-F309 HydrophobicContact CD2-CD2 4Å; L303-F309 HydrophobicContact CD2-CE1 4.31Å; L303-F309 HydrophobicContact CD2-CE2 3.96Å; L303-F309 HydrophobicContact CD2-CG 4.19Å; L303-F309 HydrophobicContact CD2-CZ 4.12Å; L303-F309 HydrophobicContact CG-CD2 4.26Å; L303-F309 HydrophobicContact CG-CE2 4.37Å; L303-T412 HydrophobicContact CD2-CG2 3.67Å; L303-R415 HydrophobicContact CB-CB 4.06Å; L303-T416 PolarHBondContact N-O 3.43Å; L303-L417 HydrophobicContact CB-CD2 4.3Å; L303-L417 HydrophobicContact CD2-CD2 3.84Å; L303-L418 PolarHBondContact O-N 3.19Å
304P92Very high84.9Confident25 Ų2551.5 Ų51.516%0.16227%0.265CS..EExtended strand (participates in β ladder)trans-68136.7173.729.2-34000110.6E306 L418 M420 W433P304-E306 PolarHBondContact O-N 2.87Å; P304-L418 CarbonylContact C-O 3.54Å; P304-L418 WeakPolarHBondContact CA-O 3.17Å; P304-M420 HydrophobicContact CB-CG 3.6Å; P304-M420 HydrophobicContact CB-SD 4.24Å; P304-W433 HydrophobicContact CB-CD2 4.13Å; P304-W433 HydrophobicContact CB-CE3 4.04Å; P304-W433 HydrophobicContact CB-CG 4.35Å; P304-W433 HydrophobicContact CG-CD2 3.89Å; P304-W433 HydrophobicContact CG-CE3 4.12Å; P304-W433 HydrophobicContact CG-CG 4.19Å
305L90Very high85.1Confident5 Ų549.2 Ų49.23%0.02625%0.249CC..SBendtrans-80.952.8176.6-62.2179000111.5F309 L312 L417 L418 E419 L473L305-F309 HydrophobicContact CD2-CB 4.25Å; L305-L312 HydrophobicContact CD2-CB 4.2Å; L305-L312 HydrophobicContact CD2-CD1 4.24Å; L305-L417 HydrophobicContact CD1-CB 4.49Å; L305-L417 HydrophobicContact CD2-CB 4.21Å; L305-L417 HydrophobicContact CD2-CD2 4.32Å; L305-L417 HydrophobicContact CG-CB 4.46Å; L305-L418 WeakPolarHBondContact CG-O 3.26Å; L305-L418 PolarHBondContact N-O 2.96Å; L305-E419 HydrophobicContact CD1-CB 4.45Å; L305-L473 HydrophobicContact CD1-CD1 3.46Å; L305-L473 VanDerWaalsContact CD1-CD1 3.46Å
306E82.5Confident85.8Confident61 Ų6143.2 Ų43.229%0.28523%0.225SC..  trans-116.8170.1176.2-61.9-174.2141.900109.6P304 N308 F309 M420P304-E306 PolarHBondContact O-N 2.87Å; E306-N308 PolarHBondContact O-N 3.34Å; E306-N308 VanDerWaalsContact O-N 3.16Å; E306-F309 PolarHBondContact O-N 3.16Å; E306-F309 VanDerWaalsContact O-N 3.09Å; E306-M420 HydrophobicContact CG-CB 4.21Å; E306-M420 HydrophobicContact CG-CG 4.34Å
307E80Confident86.2Confident160 Ų16044.5 Ų44.575%0.74824%0.238SC*.G310 helixtrans53.2-116.8176.1-55.4178176.900113F309 E310E307-F309 PolarHBondContact O-N 3.18Å; E307-F309 VanDerWaalsContact O-N 3.09Å; E307-E310 VanDerWaalsContact O-CB 3.29Å; E307-E310 WeakPolarHBondContact O-CB 3.31Å; E307-E310 PolarHBondContact O-N 2.75Å; E307-E310 VanDerWaalsContact O-N 3.08Å
308N81.8Confident86.5Confident130 Ų13043 Ų4370%0.69523%0.227SC*.G310 helixtrans-62.5-18.7-176.8-62.5-38.5000113.5E306E306-N308 PolarHBondContact O-N 3.34Å; E306-N308 VanDerWaalsContact O-N 3.16Å
309F88.4Confident86.7Confident37 Ų3745.3 Ų45.316%0.16224%0.243CC..G310 helixtrans-108.83.1179.1-61.4-75.3000113.2L303 L305 E306 E307 A311 L312 L408 T412L303-F309 HydrophobicContact CD1-CD2 4.14Å; L303-F309 HydrophobicContact CD1-CE2 3.91Å; L303-F309 HydrophobicContact CD2-CD1 4.35Å; L303-F309 HydrophobicContact CD2-CD2 4Å; L303-F309 HydrophobicContact CD2-CE1 4.31Å; L303-F309 HydrophobicContact CD2-CE2 3.96Å; L303-F309 HydrophobicContact CD2-CG 4.19Å; L303-F309 HydrophobicContact CD2-CZ 4.12Å; L303-F309 HydrophobicContact CG-CD2 4.26Å; L303-F309 HydrophobicContact CG-CE2 4.37Å; L305-F309 HydrophobicContact CD2-CB 4.25Å; E306-F309 PolarHBondContact O-N 3.16Å; E306-F309 VanDerWaalsContact O-N 3.09Å; E307-F309 PolarHBondContact O-N 3.18Å; E307-F309 VanDerWaalsContact O-N 3.09Å; F309-A311 PolarHBondContact O-N 3.38Å; F309-A311 VanDerWaalsContact O-N 3.16Å; F309-L312 HydrophobicContact CB-CD1 4.39Å; F309-L312 HydrophobicContact CD1-CD1 4.02Å; F309-L312 WeakPolarHBondContact O-CB 3.34Å; F309-L312 PolarHBondContact O-N 3.4Å; F309-L408 HydrophobicContact CD1-CD1 3.91Å; F309-L408 HydrophobicContact CD1-CG 4.18Å; F309-L408 HydrophobicContact CE1-CD1 3.97Å; F309-T412 HydrophobicContact CD1-CG2 3.77Å; F309-T412 HydrophobicContact CE1-CG2 3.73Å
310E86.5Confident86.9Confident106 Ų10644.4 Ų44.450%0.49524%0.238SC..G310 helixtrans-55.1-36179.5-176.1178.1177.600111.7E307 L312 S313 C316E307-E310 VanDerWaalsContact O-CB 3.29Å; E307-E310 WeakPolarHBondContact O-CB 3.31Å; E307-E310 PolarHBondContact O-N 2.75Å; E307-E310 VanDerWaalsContact O-N 3.08Å; E310-L312 PolarHBondContact O-N 3.47Å; E310-S313 VanDerWaalsContact O-CB 3.26Å; E310-S313 WeakPolarHBondContact O-CB 3.35Å; E310-S313 PolarHBondContact O-N 3.31Å; E310-C316 VanDerWaalsContact O-CB 3.31Å; E310-C316 WeakPolarHBondContact O-CB 3.47Å
311A89.5Confident87Confident31 Ų3146.1 Ų46.126%0.25625%0.251SS..G310 helixtrans-59.1-20.6177.100000113.9F309 K398 L405 L408F309-A311 PolarHBondContact O-N 3.38Å; F309-A311 VanDerWaalsContact O-N 3.16Å; A311-K398 WeakPolarHBondContact O-CE 3.17Å; A311-K398 PolarHBondContact O-NZ 3.28Å; A311-L405 HydrophobicContact CB-CD2 3.97Å; A311-L408 HydrophobicContact CB-CD2 3.98Å
312L91.1Very high87Confident0 Ų044.3 Ų44.30%024%0.239CC..G310 helixtrans-79.1-27174.1-61.6177.9000112.6L305 F309 E310 F399 L405 L408 L409 T412 L473L305-L312 HydrophobicContact CD2-CB 4.2Å; L305-L312 HydrophobicContact CD2-CD1 4.24Å; F309-L312 HydrophobicContact CB-CD1 4.39Å; F309-L312 HydrophobicContact CD1-CD1 4.02Å; F309-L312 WeakPolarHBondContact O-CB 3.34Å; F309-L312 PolarHBondContact O-N 3.4Å; E310-L312 PolarHBondContact O-N 3.47Å; L312-F399 HydrophobicContact CD2-CE1 4.49Å; L312-F399 HydrophobicContact CD2-CZ 3.96Å; L312-L405 HydrophobicContact CD2-CB 4.36Å; L312-L405 HydrophobicContact CD2-CD2 4.46Å; L312-L408 HydrophobicContact CD1-CG 4.22Å; L312-L408 HydrophobicContact CD2-CB 4.21Å; L312-L408 HydrophobicContact CD2-CD2 4.04Å; L312-L408 HydrophobicContact CD2-CG 4.12Å; L312-L408 HydrophobicContact CG-CD2 3.9Å; L312-L408 HydrophobicContact CG-CG 4.07Å; L312-L409 HydrophobicContact CD1-CB 4.49Å; L312-L409 HydrophobicContact CD1-CD1 4.19Å; L312-L409 HydrophobicContact CD2-CB 4.01Å; L312-T412 HydrophobicContact CD1-CG2 3.77Å; L312-L473 HydrophobicContact CB-CD1 4.24Å
313S88.7Confident86.7Confident2 Ų246.4 Ų46.41%0.01427%0.269CS..SBendtrans-57.6139.5178.6172.10000111E310 T315 C316 K398 E419E310-S313 VanDerWaalsContact O-CB 3.26Å; E310-S313 WeakPolarHBondContact O-CB 3.35Å; E310-S313 PolarHBondContact O-N 3.31Å; S313-T315 PolarHBondContact O-N 3.32Å; S313-T315 PolarHBondContact OG-N 3.08Å; S313-T315 PolarHBondContact OG-OG1 2.72Å; S313-C316 WeakPolarHBondContact O-CB 3.44Å; S313-C316 PolarHBondContact O-N 3.49Å; S313-K398 PolarHBondContact O-NZ 3.31Å; S313-E419 WeakPolarHBondContact CB-OE1 3.37Å; S313-E419 WeakPolarHBondContact CB-OE2 3.41Å; S313-E419 PolarHBondContact OG-OE1 2.85Å; S313-E419 PolarHBondContact OG-OE2 3.26Å; S313-E419 VanDerWaalsContact OG-OE2 3.09Å
314T81.9Confident86.5Confident10 Ų1055.4 Ų55.46%0.06131%0.31CS..THydrogen-bonded Turntrans-71.3-13.6172.846.10000112.3V330 L391 T395 N469T314-V330 HydrophobicContact CG2-CB 4.48Å; T314-V330 HydrophobicContact CG2-CG1 4.03Å; T314-V330 HydrophobicContact CG2-CG2 4.37Å; T314-V330 WeakPolarHBondContact O-CB 3.33Å; T314-L391 HydrophobicContact CG2-CD1 4.13Å; T314-L391 HydrophobicContact CG2-CG 4.45Å; T314-T395 WeakPolarHBondContact CG2-OG1 3.43Å; T314-N469 WeakPolarHBondContact CG2-OD1 3.33Å; T314-N469 PolarHBondContact N-ND2 3.41Å; T314-N469 VanDerWaalsContact OG1-CG 3.29Å; T314-N469 PolarHBondContact OG1-ND2 3.37Å; T314-N469 PolarHBondContact OG1-OD1 2.93Å; T314-N469 VanDerWaalsContact OG1-OD1 3.1Å
315T78.2Confident86.5Confident29 Ų2956.6 Ų56.618%0.17832%0.317CS..THydrogen-bonded Turntrans-90.2-10.5177.576.60000113.8S313 R360 E419S313-T315 PolarHBondContact O-N 3.32Å; S313-T315 PolarHBondContact OG-N 3.08Å; S313-T315 PolarHBondContact OG-OG1 2.72Å; T315-R360 VanDerWaalsContact CG2-NH2 3.34Å; T315-E419 PolarHBondContact OG1-OE1 2.63Å
316C83.5Confident86.5Confident23 Ų2361.2 Ų61.216%0.15534%0.341CS..SBendtrans-63.5135.5174.3-174.10000110.5E310 S313 M318E310-C316 VanDerWaalsContact O-CB 3.31Å; E310-C316 WeakPolarHBondContact O-CB 3.47Å; S313-C316 WeakPolarHBondContact O-CB 3.44Å; S313-C316 PolarHBondContact O-N 3.49Å; C316-M318 VanDerWaalsContact C-N 3.25Å; C316-M318 PolarHBondContact O-N 2.66Å
317N83.3Confident86.9Confident106 Ų10658.4 Ų58.457%0.56733%0.328SS*.  trans-72.481177-74.8-14.8000110.3
318M87.6Confident87.3Confident30 Ų3051.8 Ų51.815%0.14830%0.299CS..  trans-124.7106.2179-152.8176-164.500108.5C316 P328 K398 Y402 L405C316-M318 VanDerWaalsContact C-N 3.25Å; C316-M318 PolarHBondContact O-N 2.66Å; M318-P328 CarbonylContact C-O 3.45Å; M318-K398 HydrophobicContact SD-CD 4.5Å; M318-K398 WeakPolarHBondContact SD-CE 3.33Å; M318-K398 HydrophobicContact SD-CG 4.41Å; M318-Y402 HydrophobicContact CE-CD1 3.38Å; M318-Y402 HydrophobicContact CE-CD2 3.67Å; M318-Y402 HydrophobicContact CE-CE1 3.74Å; M318-Y402 HydrophobicContact CE-CE2 4.02Å; M318-Y402 HydrophobicContact CE-CG 3.33Å; M318-Y402 HydrophobicContact CG-CD2 4.02Å; M318-Y402 HydrophobicContact CG-CE1 4.42Å; M318-Y402 HydrophobicContact CG-CE2 3.6Å; M318-Y402 HydrophobicContact SD-CD2 3.77Å; M318-Y402 HydrophobicContact SD-CE2 4.01Å; M318-Y402 HydrophobicContact SD-CG 4.05Å; M318-L405 HydrophobicContact CE-CD1 4.25Å; M318-L405 HydrophobicContact CE-CD2 4.12Å; M318-L405 HydrophobicContact CE-CG 4.35Å; M318-L405 HydrophobicContact SD-CD1 3.79Å; M318-L405 HydrophobicContact SD-CD2 4.23Å; M318-L405 HydrophobicContact SD-CG 4.44Å
319P89.5Confident87.6Confident50 Ų5045.6 Ų45.633%0.32527%0.266SS..  trans-60.9143.9-171.9-26.334.6000113.8L326 Y327 P328 Y402P319-L326 HydrophobicContact CB-CD1 3.88Å; P319-L326 HydrophobicContact CB-CG 4.3Å; P319-Y327 CarbonylContact C-O 3.59Å; P319-Y327 VanDerWaalsContact CA-O 3.23Å; P319-Y327 WeakPolarHBondContact CA-O 3.31Å; P319-P328 WeakPolarHBondContact CA-O 3.29Å; P319-Y402 VanDerWaalsContact O-CE2 3.29Å; P319-Y402 WeakPolarHBondContact O-CE2 2.84Å; P319-Y402 PolarHBondContact O-OH 2.95Å
320I89.8Confident87.6Confident0 Ų043.9 Ų43.90%026%0.259CS..EExtended strand (participates in β ladder)trans-127.9127-179.2-56.7176.7000109.5Y327 V330 L397 K398I320-Y327 PolarHBondContact N-O 3.34Å; I320-Y327 PolarHBondContact O-N 2.82Å; I320-V330 HydrophobicContact CD1-CB 4.1Å; I320-V330 HydrophobicContact CD1-CG2 3.42Å; I320-V330 VanDerWaalsContact CD1-CG2 3.42Å; I320-L397 HydrophobicContact CG2-CB 4.19Å; I320-L397 HydrophobicContact CG2-CD2 3.42Å; I320-L397 VanDerWaalsContact CG2-CD2 3.42Å; I320-L397 HydrophobicContact CG2-CG 3.52Å; I320-K398 HydrophobicContact CD1-CB 3.76Å; I320-K398 HydrophobicContact CD1-CG 4.32Å; I320-K398 HydrophobicContact CG1-CB 4.29Å
321V91.5Very high87.7Confident67 Ų6741 Ų4141%0.40625%0.245SC..EExtended strand (participates in β ladder)trans-88.7114.7172.9-176.60000109.7L326 Q401V321-L326 HydrophobicContact CG2-CD1 3.66Å; V321-Q401 PolarHBondContact O-NE2 2.84Å
322A87.5Confident87.8Confident15 Ų1539.5 Ų39.512%0.12423%0.233CC..EExtended strand (participates in β ladder)trans-118.7107.9173.400000109.8E324 T325 Y327 Y333 L397A322-E324 PolarHBondContact O-N 3.13Å; A322-T325 PolarHBondContact N-O 2.83Å; A322-T325 PolarHBondContact O-N 2.91Å; A322-Y327 HydrophobicContact CB-CD2 4.18Å; A322-Y327 HydrophobicContact CB-CE2 3.98Å; A322-Y333 HydrophobicContact CB-CD2 3.84Å; A322-Y333 HydrophobicContact CB-CE1 4.36Å; A322-Y333 HydrophobicContact CB-CE2 3.33Å; A322-L397 HydrophobicContact CB-CD2 3.74Å
323G86.6Confident87.8Confident74 Ų7440.9 Ų40.976%0.76324%0.238SC*.THydrogen-bonded Turntrans67.7-121.9-168.200000110.5
324E86.9Confident87.9Confident203 Ų20341.2 Ų41.295%0.94924%0.24SC*.THydrogen-bonded Turntrans-99.63.2177.4-61.1-178.517000112.8A322A322-E324 PolarHBondContact O-N 3.13Å
325T90.7Very high88.2Confident49 Ų4941.3 Ų41.330%0.30124%0.242SC..EExtended strand (participates in β ladder)trans-107.6127.9-174.4-49.50000111.2A322 Y327 P355A322-T325 PolarHBondContact N-O 2.83Å; A322-T325 PolarHBondContact O-N 2.91Å; T325-Y327 HydrophobicContact CG2-CD2 4.24Å; T325-Y327 HydrophobicContact CG2-CE1 4.29Å; T325-Y327 HydrophobicContact CG2-CE2 3.65Å; T325-P355 HydrophobicContact CG2-CB 3.82Å; T325-P355 HydrophobicContact CG2-CG 3.41Å; T325-P355 VanDerWaalsContact CG2-CG 3.41Å
326L90.4Very high88.8Confident102 Ų10239.9 Ų39.953%0.53423%0.233SC..EExtended strand (participates in β ladder)trans-86.2123.4170.1-174.583.8000109.2P319 V321P319-L326 HydrophobicContact CB-CD1 3.88Å; P319-L326 HydrophobicContact CB-CG 4.3Å; V321-L326 HydrophobicContact CG2-CD1 3.66Å
327Y91.4Very high89.1Confident2 Ų240.7 Ų40.71%0.00824%0.236CC..EExtended strand (participates in β ladder)trans-105.4135.2171.8-66.2-89.6000109.2P319 I320 A322 T325 S329 H332 Y333 A336 R340 I354 P355P319-Y327 CarbonylContact C-O 3.59Å; P319-Y327 VanDerWaalsContact CA-O 3.23Å; P319-Y327 WeakPolarHBondContact CA-O 3.31Å; I320-Y327 PolarHBondContact N-O 3.34Å; I320-Y327 PolarHBondContact O-N 2.82Å; A322-Y327 HydrophobicContact CB-CD2 4.18Å; A322-Y327 HydrophobicContact CB-CE2 3.98Å; T325-Y327 HydrophobicContact CG2-CD2 4.24Å; T325-Y327 HydrophobicContact CG2-CE1 4.29Å; T325-Y327 HydrophobicContact CG2-CE2 3.65Å; Y327-S329 PolarHBondContact O-N 3.02Å; Y327-H332 HydrophobicContact CD1-CB 4.26Å; Y327-Y333 HydrophobicContact CD1-CD2 4.4Å; Y327-Y333 AromaticContact CD2-CD2 3.65Å; Y327-Y333 HydrophobicContact CD2-CD2 3.65Å; Y327-Y333 HydrophobicContact CD2-CE2 4.48Å; Y327-Y333 HydrophobicContact CD2-CG 4.26Å; Y327-Y333 HydrophobicContact CE1-CD2 4.27Å; Y327-Y333 AromaticContact CE2-CD2 3.51Å; Y327-Y333 HydrophobicContact CE2-CD2 3.51Å; Y327-Y333 HydrophobicContact CE2-CE2 4.03Å; Y327-Y333 HydrophobicContact CG-CD2 4.11Å; Y327-Y333 HydrophobicContact CG-CG 4.45Å; Y327-Y333 AromaticContact CZ-CD2 3.83Å; Y327-A336 HydrophobicContact CD1-CB 4.42Å; Y327-A336 HydrophobicContact CE1-CB 3.54Å; Y327-R340 PolarHBondContact OH-NH2 3.39Å; Y327-I354 HydrophobicContact CD1-CG2 4.27Å; Y327-I354 HydrophobicContact CE1-CG2 4.38Å; Y327-P355 HydrophobicContact CD1-CG 4.12Å; Y327-P355 HydrophobicContact CE1-CG 3.71Å
328P87.9Confident89.4Confident22 Ų2236.3 Ų36.314%0.14321%0.212CC..SBendtrans-61.8-26.6-177.4-28.436.5000115.4M318 P319M318-P328 CarbonylContact C-O 3.45Å; P319-P328 WeakPolarHBondContact CA-O 3.29Å
329S87.8Confident89.4Confident0 Ų034.9 Ų34.90%020%0.204CC..SBendtrans-156.5174.3175.573.40000112.2Y327 E331 H332 Y333Y327-S329 PolarHBondContact O-N 3.02Å; S329-E331 VanDerWaalsContact C-N 3.25Å; S329-E331 PolarHBondContact O-N 3.29Å; S329-E331 PolarHBondContact OG-N 3.39Å; S329-H332 PolarHBondContact O-N 3.4Å; S329-H332 PolarHBondContact OG-ND1 2.92Å; S329-Y333 PolarHBondContact O-N 2.92Å
330V90Very high89.2Confident1 Ų137.5 Ų37.51%0.00621%0.208CC..Hα-helixtrans-53-44.9170.7-1790000110.7T314 I320 H332 Y333 V334 L391 A394 K398T314-V330 HydrophobicContact CG2-CB 4.48Å; T314-V330 HydrophobicContact CG2-CG1 4.03Å; T314-V330 HydrophobicContact CG2-CG2 4.37Å; T314-V330 WeakPolarHBondContact O-CB 3.33Å; I320-V330 HydrophobicContact CD1-CB 4.1Å; I320-V330 HydrophobicContact CD1-CG2 3.42Å; I320-V330 VanDerWaalsContact CD1-CG2 3.42Å; V330-H332 VanDerWaalsContact C-N 3.31Å; V330-H332 PolarHBondContact O-N 3.48Å; V330-Y333 PolarHBondContact O-N 3.45Å; V330-Y333 VanDerWaalsContact O-N 3.16Å; V330-V334 HydrophobicContact CG1-CG2 4.23Å; V330-V334 WeakPolarHBondContact O-CG2 3.4Å; V330-V334 PolarHBondContact O-N 2.95Å; V330-L391 HydrophobicContact CG1-CD1 3.59Å; V330-A394 HydrophobicContact CG1-CB 3.54Å; V330-K398 HydrophobicContact CG2-CB 4.29Å; V330-K398 HydrophobicContact CG2-CD 3.76Å; V330-K398 HydrophobicContact CG2-CG 4.49Å
331E88.1Confident88.8Confident44 Ų4441.4 Ų41.421%0.20623%0.225CC..Hα-helixtrans-59.4-40.8-178.8-165.3176-177.500111.6S329 V334 A335 R360 L363 R364S329-E331 VanDerWaalsContact C-N 3.25Å; S329-E331 PolarHBondContact O-N 3.29Å; S329-E331 PolarHBondContact OG-N 3.39Å; E331-V334 PolarHBondContact O-N 3.16Å; E331-A335 VanDerWaalsContact O-CB 3.29Å; E331-A335 WeakPolarHBondContact O-CB 3.44Å; E331-A335 PolarHBondContact O-N 3.22Å; E331-R360 IonicContact OE1-NH2 3.39Å; E331-R360 IonicContact OE2-CZ 3.91Å; E331-R360 VanDerWaalsContact OE2-CZ 3.22Å; E331-R360 IonicContact OE2-NE 3.31Å; E331-R360 PolarHBondContact OE2-NE 3.44Å; E331-R360 IonicContact OE2-NH2 3.97Å; E331-R360 PolarHBondContact OE2-NH2 3.12Å; E331-L363 HydrophobicContact CB-CD2 4.21Å; E331-L363 HydrophobicContact CG-CD2 3.82Å; E331-R364 IonicContact OE1-CZ 3.71Å; E331-R364 IonicContact OE1-NE 3.98Å; E331-R364 PolarHBondContact OE1-NE 2.91Å; E331-R364 IonicContact OE1-NH2 2.8Å
332H90.4Very high88Confident0 Ų039.3 Ų39.30%021%0.212CC..Hα-helixtrans-63.8-45.1176-67.680.6000111.4Y327 S329 V330 V334 A335 A336 I354 V357 L363Y327-H332 HydrophobicContact CD1-CB 4.26Å; S329-H332 PolarHBondContact O-N 3.4Å; S329-H332 PolarHBondContact OG-ND1 2.92Å; V330-H332 VanDerWaalsContact C-N 3.31Å; V330-H332 PolarHBondContact O-N 3.48Å; H332-V334 PolarHBondContact O-N 3Å; H332-A335 PolarHBondContact O-N 2.86Å; H332-A336 PolarHBondContact O-N 3.22Å; H332-I354 HydrophobicContact CB-CG2 3.98Å; H332-I354 VanDerWaalsContact O-CG2 3.23Å; H332-I354 WeakPolarHBondContact O-CG2 3.48Å; H332-V357 PolarHBondContact CD2-O 3.16Å; H332-V357 VanDerWaalsContact CD2-O 3.28Å; H332-V357 PolarHBondContact NE2-O 3.09Å; H332-L363 HydrophobicContact CB-CD2 4.42Å
333Y91.7Very high86.9Confident30 Ų3043 Ų4312%0.11824%0.236CC..Hα-helixtrans-64.3-42.6179.2-177.8-128000112.1A322 Y327 S329 V330 A336 L337 A394 L397A322-Y333 HydrophobicContact CB-CD2 3.84Å; A322-Y333 HydrophobicContact CB-CE1 4.36Å; A322-Y333 HydrophobicContact CB-CE2 3.33Å; Y327-Y333 HydrophobicContact CD1-CD2 4.4Å; Y327-Y333 AromaticContact CD2-CD2 3.65Å; Y327-Y333 HydrophobicContact CD2-CD2 3.65Å; Y327-Y333 HydrophobicContact CD2-CE2 4.48Å; Y327-Y333 HydrophobicContact CD2-CG 4.26Å; Y327-Y333 HydrophobicContact CE1-CD2 4.27Å; Y327-Y333 AromaticContact CE2-CD2 3.51Å; Y327-Y333 HydrophobicContact CE2-CD2 3.51Å; Y327-Y333 HydrophobicContact CE2-CE2 4.03Å; Y327-Y333 HydrophobicContact CG-CD2 4.11Å; Y327-Y333 HydrophobicContact CG-CG 4.45Å; Y327-Y333 AromaticContact CZ-CD2 3.83Å; S329-Y333 PolarHBondContact O-N 2.92Å; V330-Y333 PolarHBondContact O-N 3.45Å; V330-Y333 VanDerWaalsContact O-N 3.16Å; Y333-A336 PolarHBondContact O-N 3.37Å; Y333-L337 HydrophobicContact CD1-CD1 4.28Å; Y333-L337 HydrophobicContact CE1-CD1 3.78Å; Y333-L337 HydrophobicContact CE2-CD1 4.14Å; Y333-L337 HydrophobicContact CE2-CD2 4.34Å; Y333-L337 HydrophobicContact CE2-CG 4.17Å; Y333-L337 WeakPolarHBondContact O-CG 3.43Å; Y333-L337 PolarHBondContact O-N 2.81Å; Y333-L337 VanDerWaalsContact O-N 3.08Å; Y333-A394 HydrophobicContact CD1-CB 3.62Å; Y333-A394 HydrophobicContact CE1-CB 4.24Å; Y333-L397 HydrophobicContact CE1-CD2 4.19Å
334V90.7Very high86Confident8 Ų844 Ų445%0.04822%0.224CC..Hα-helixtrans-63.5-43.8176.8173.60000111.4V330 E331 H332 A336 L337 F338 W382 M387 T390 L391 A394V330-V334 HydrophobicContact CG1-CG2 4.23Å; V330-V334 WeakPolarHBondContact O-CG2 3.4Å; V330-V334 PolarHBondContact O-N 2.95Å; E331-V334 PolarHBondContact O-N 3.16Å; H332-V334 PolarHBondContact O-N 3Å; V334-A336 VanDerWaalsContact C-N 3.31Å; V334-A336 PolarHBondContact O-N 3.21Å; V334-L337 PolarHBondContact O-N 2.83Å; V334-F338 PolarHBondContact O-N 3.42Å; V334-W382 HydrophobicContact CG1-CH2 3.85Å; V334-M387 HydrophobicContact CG1-CE 3.95Å; V334-M387 HydrophobicContact CG1-SD 3.52Å; V334-M387 VanDerWaalsContact CG1-SD 3.52Å; V334-T390 HydrophobicContact CB-CG2 4.48Å; V334-T390 HydrophobicContact CG1-CG2 4.15Å; V334-T390 HydrophobicContact CG2-CG2 4.27Å; V334-L391 HydrophobicContact CG2-CD1 3.88Å; V334-A394 HydrophobicContact CG2-CB 3.76Å
335A89.3Confident84.6Confident12 Ų1240.7 Ų40.710%0.09921%0.21CC..Hα-helixtrans-60-39.9175.800000112.2E331 H332 F338 L339 I354 L363 V367E331-A335 VanDerWaalsContact O-CB 3.29Å; E331-A335 WeakPolarHBondContact O-CB 3.44Å; E331-A335 PolarHBondContact O-N 3.22Å; H332-A335 PolarHBondContact O-N 2.86Å; A335-F338 WeakPolarHBondContact O-CB 3.42Å; A335-F338 PolarHBondContact O-N 3.36Å; A335-L339 PolarHBondContact O-N 3.38Å; A335-I354 HydrophobicContact CB-CD1 3.84Å; A335-L363 HydrophobicContact CB-CD1 3.85Å; A335-L363 HydrophobicContact CB-CD2 4.36Å; A335-L363 HydrophobicContact CB-CG 4.36Å; A335-V367 HydrophobicContact CB-CG2 3.77Å
336A90.6Very high83.4Confident0 Ų045 Ų450%023%0.232CC..Hα-helixtrans-65.2-39175.700000112.3Y327 H332 Y333 V334 R340 I354Y327-A336 HydrophobicContact CD1-CB 4.42Å; Y327-A336 HydrophobicContact CE1-CB 3.54Å; H332-A336 PolarHBondContact O-N 3.22Å; Y333-A336 PolarHBondContact O-N 3.37Å; V334-A336 VanDerWaalsContact C-N 3.31Å; V334-A336 PolarHBondContact O-N 3.21Å; A336-R340 WeakPolarHBondContact O-CB 3.26Å; A336-R340 WeakPolarHBondContact O-CG 3.47Å; A336-R340 PolarHBondContact O-N 3Å; A336-I354 HydrophobicContact CB-CB 4.4Å; A336-I354 HydrophobicContact CB-CD1 4.1Å; A336-I354 HydrophobicContact CB-CG2 4.17Å
337L89.5Confident82.8Confident39 Ų3941.6 Ų41.620%0.20421%0.212CC..Hα-helixtrans-68-37.6175.3-68.4178.7000112.4Y333 V334 R340 F341 T390Y333-L337 HydrophobicContact CD1-CD1 4.28Å; Y333-L337 HydrophobicContact CE1-CD1 3.78Å; Y333-L337 HydrophobicContact CE2-CD1 4.14Å; Y333-L337 HydrophobicContact CE2-CD2 4.34Å; Y333-L337 HydrophobicContact CE2-CG 4.17Å; Y333-L337 WeakPolarHBondContact O-CG 3.43Å; Y333-L337 PolarHBondContact O-N 2.81Å; Y333-L337 VanDerWaalsContact O-N 3.08Å; V334-L337 PolarHBondContact O-N 2.83Å; L337-R340 PolarHBondContact O-N 2.98Å; L337-F341 WeakPolarHBondContact O-CB 3.42Å; L337-F341 PolarHBondContact O-N 3.4Å; L337-T390 HydrophobicContact CB-CG2 3.81Å; L337-T390 HydrophobicContact CD1-CG2 3.47Å; L337-T390 VanDerWaalsContact CD1-CG2 3.47Å; L337-T390 HydrophobicContact CG-CG2 4.27Å
338F88.9Confident82.3Confident14 Ų1444.4 Ų44.46%0.06123%0.227CC..Hα-helixtrans-58.6-53.1172.7173.3-119.5000111.6V334 A335 R340 F341 L342 V367 I379 W382V334-F338 PolarHBondContact O-N 3.42Å; A335-F338 WeakPolarHBondContact O-CB 3.42Å; A335-F338 PolarHBondContact O-N 3.36Å; F338-R340 VanDerWaalsContact C-N 3.34Å; F338-R340 PolarHBondContact O-N 2.81Å; F338-F341 WeakPolarHBondContact O-CB 3.47Å; F338-F341 PolarHBondContact O-N 3.13Å; F338-L342 HydrophobicContact CE1-CD1 4.09Å; F338-L342 HydrophobicContact CE2-CD1 4.03Å; F338-L342 HydrophobicContact CE2-CG 4.44Å; F338-L342 HydrophobicContact CZ-CD1 3.81Å; F338-L342 PolarHBondContact O-N 2.99Å; F338-V367 HydrophobicContact CD1-CG1 4.14Å; F338-V367 HydrophobicContact CE1-CG1 4.14Å; F338-I379 HydrophobicContact CZ-CG1 4.45Å; F338-W382 HydrophobicContact CB-CD2 4.49Å; F338-W382 HydrophobicContact CB-CH2 3.71Å; F338-W382 HydrophobicContact CB-CZ2 3.63Å; F338-W382 HydrophobicContact CB-CZ3 4.18Å; F338-W382 HydrophobicContact CD2-CB 4.41Å; F338-W382 AromaticContact CD2-CD2 3.37Å; F338-W382 HydrophobicContact CD2-CD2 3.37Å; F338-W382 AromaticContact CD2-CE2 3.67Å; F338-W382 AromaticContact CD2-CE3 3.51Å; F338-W382 HydrophobicContact CD2-CE3 3.51Å; F338-W382 AromaticContact CD2-CG 3.76Å; F338-W382 HydrophobicContact CD2-CG 3.76Å; F338-W382 HydrophobicContact CD2-CH2 4.2Å; F338-W382 HydrophobicContact CD2-CZ2 4.1Å; F338-W382 AromaticContact CD2-CZ3 3.91Å; F338-W382 HydrophobicContact CD2-CZ3 3.91Å; F338-W382 HydrophobicContact CE2-CB 4.24Å; F338-W382 AromaticContact CE2-CD2 3.99Å; F338-W382 HydrophobicContact CE2-CD2 3.99Å; F338-W382 AromaticContact CE2-CE3 4Å; F338-W382 HydrophobicContact CE2-CE3 4Å; F338-W382 HydrophobicContact CE2-CG 4.08Å; F338-W382 HydrophobicContact CG-CD2 4.32Å; F338-W382 HydrophobicContact CG-CE3 4.28Å; F338-W382 HydrophobicContact CG-CH2 4.26Å; F338-W382 HydrophobicContact CG-CZ2 4.32Å; F338-W382 HydrophobicContact CG-CZ3 4.23Å
339L88Confident82.1Confident0 Ų047.9 Ų47.90%024%0.241CC..Hα-helixtrans-66-35.3-178.9-66.7-173.9000112.8A335 A350 A351 I354A335-L339 PolarHBondContact O-N 3.38Å; L339-A350 HydrophobicContact CD1-CB 3.78Å; L339-A351 HydrophobicContact CB-CB 3.82Å; L339-I354 HydrophobicContact CD1-CD1 3.6Å; L339-I354 HydrophobicContact CD1-CG1 4.46Å; L339-I354 HydrophobicContact CG-CD1 4.31Å
340R85.2Confident82Confident106 Ų10648.5 Ų48.540%0.425%0.246SC..Hα-helixtrans-65.3-37.3173.4-75.6172.8-178.1-165.71.8112.5Y327 A336 L337 F338 L342 S343 L348 A351Y327-R340 PolarHBondContact OH-NH2 3.39Å; A336-R340 WeakPolarHBondContact O-CB 3.26Å; A336-R340 WeakPolarHBondContact O-CG 3.47Å; A336-R340 PolarHBondContact O-N 3Å; L337-R340 PolarHBondContact O-N 2.98Å; F338-R340 VanDerWaalsContact C-N 3.34Å; F338-R340 PolarHBondContact O-N 2.81Å; R340-L342 VanDerWaalsContact C-N 3.27Å; R340-L342 PolarHBondContact O-N 2.92Å; R340-S343 PolarHBondContact O-N 3Å; R340-L348 HydrophobicContact CG-CD2 4.27Å; R340-A351 HydrophobicContact CG-CB 3.84Å
341F81.2Confident81.8Confident82 Ų8248.5 Ų48.536%0.3625%0.246SC..Hα-helixtrans-61.7-36.8-179.4171.9-107.6000112.3L337 F338 S343 W382 K386L337-F341 WeakPolarHBondContact O-CB 3.42Å; L337-F341 PolarHBondContact O-N 3.4Å; F338-F341 WeakPolarHBondContact O-CB 3.47Å; F338-F341 PolarHBondContact O-N 3.13Å; F341-S343 PolarHBondContact O-N 2.82Å; F341-S343 VanDerWaalsContact O-N 3.1Å; F341-S343 PolarHBondContact O-OG 2.8Å; F341-W382 AromaticContact CD1-CD1 3.21Å; F341-W382 HydrophobicContact CD1-CG 4.13Å; F341-W382 AromaticContact CD1-NE1 3.9Å; F341-W382 HydrophobicContact CE1-CB 4.44Å; F341-W382 AromaticContact CE1-CD1 3.66Å; F341-W382 HydrophobicContact CE1-CG 4.43Å; F341-W382 AromaticContact CG-CD1 3.76Å; F341-K386 HydrophobicContact CD2-CD 4.2Å; F341-K386 HydrophobicContact CE2-CD 4.07Å; F341-K386 HydrophobicContact CZ-CD 4.19Å
342L75.3Confident81.8Confident23 Ų2352.3 Ų52.312%0.1226%0.262CS..THydrogen-bonded Turntrans-68.9-8-177-63.3167.7000114.2F338 R340 D344 L374 V378F338-L342 HydrophobicContact CE1-CD1 4.09Å; F338-L342 HydrophobicContact CE2-CD1 4.03Å; F338-L342 HydrophobicContact CE2-CG 4.44Å; F338-L342 HydrophobicContact CZ-CD1 3.81Å; F338-L342 PolarHBondContact O-N 2.99Å; R340-L342 VanDerWaalsContact C-N 3.27Å; R340-L342 PolarHBondContact O-N 2.92Å; L342-D344 PolarHBondContact O-N 2.93Å; L342-L374 HydrophobicContact CD1-CD1 3.39Å; L342-L374 HydrophobicContact CD1-CD2 4.41Å; L342-L374 HydrophobicContact CD2-CD1 4.2Å; L342-L374 HydrophobicContact CD2-CD2 4.24Å; L342-L374 HydrophobicContact CG-CD1 4.4Å; L342-V378 HydrophobicContact CD2-CG1 3.56Å
343S63.6Low81.8Confident92 Ų9255.6 Ų55.664%0.64328%0.282SS*.  trans58.4-2.7165.8-54.50000118.3R340 F341R340-S343 PolarHBondContact O-N 3Å; F341-S343 PolarHBondContact O-N 2.82Å; F341-S343 VanDerWaalsContact O-N 3.1Å; F341-S343 PolarHBondContact O-OG 2.8Å
344D67.5Low81.8Confident94 Ų9454.1 Ų54.150%0.50328%0.276SS..  trans-76.2136.4171.9-94.5-21.5000111.5L342 N346 R347 L348L342-D344 PolarHBondContact O-N 2.93Å; D344-N346 PolarHBondContact O-N 3.36Å; D344-N346 VanDerWaalsContact O-N 3.11Å; D344-R347 HydrophobicContact CB-CG 4.48Å; D344-R347 PolarHBondContact O-N 2.93Å; D344-R347 IonicContact OD2-NH1 2.65Å; D344-R347 PolarHBondContact OD2-NH1 3.11Å; D344-L348 PolarHBondContact O-N 3.14Å; D344-L348 VanDerWaalsContact O-N 3.11Å
345M58.3Low81.7Confident135 Ų13555.2 Ų55.267%0.66528%0.283SS*.Hα-helixtrans-51.2-39.6-177.4-74.2-66.1-68.300113.4R347 L348 E349M345-R347 VanDerWaalsContact C-N 3.3Å; M345-R347 PolarHBondContact O-N 3.44Å; M345-L348 PolarHBondContact O-N 3.31Å; M345-L348 HydrophobicContact SD-CD1 4.36Å; M345-E349 PolarHBondContact O-N 3.3Å
346N66.3Low81.6Confident140 Ų14059.6 Ų59.675%0.74931%0.309SS*.Hα-helixtrans-64.5-34.7179.1-68.2-12000112.6D344 A350D344-N346 PolarHBondContact O-N 3.36Å; D344-N346 VanDerWaalsContact O-N 3.11Å; N346-A350 PolarHBondContact O-N 3.3Å
347R77Confident81.5Confident30 Ų3060.1 Ų60.111%0.11331%0.312CS..Hα-helixtrans-82.6-27.1-177.7-61.7-175.5178.886.72.3111.8D344 M345 E349 A350 A351 S370 V372D344-R347 HydrophobicContact CB-CG 4.48Å; D344-R347 PolarHBondContact O-N 2.93Å; D344-R347 IonicContact OD2-NH1 2.65Å; D344-R347 PolarHBondContact OD2-NH1 3.11Å; M345-R347 VanDerWaalsContact C-N 3.3Å; M345-R347 PolarHBondContact O-N 3.44Å; R347-E349 VanDerWaalsContact C-N 3.35Å; R347-A350 PolarHBondContact O-N 2.87Å; R347-A351 WeakPolarHBondContact O-CB 3.48Å; R347-A351 PolarHBondContact O-N 2.95Å; R347-S370 PolarHBondContact NE-O 3.18Å; R347-V372 PolarHBondContact NH2-O 3.32Å
348L81.3Confident80.9Confident61 Ų6164.2 Ų64.232%0.31933%0.334SS..Hα-helixtrans-63-39.9168.3-79161.7000112.1R340 D344 M345 A351 K352R340-L348 HydrophobicContact CG-CD2 4.27Å; D344-L348 PolarHBondContact O-N 3.14Å; D344-L348 VanDerWaalsContact O-N 3.11Å; M345-L348 PolarHBondContact O-N 3.31Å; M345-L348 HydrophobicContact SD-CD1 4.36Å; L348-A351 PolarHBondContact O-N 3.13Å; L348-K352 WeakPolarHBondContact O-CG 3.47Å; L348-K352 PolarHBondContact O-N 3.32Å
349E83.2Confident80.2Confident94 Ų9465.3 Ų65.344%0.43934%0.344SS..Hα-helixtrans-66.7-44.4174.2-66.5-53.2133.700111.6M345 R347 A351 K352 V353M345-E349 PolarHBondContact O-N 3.3Å; R347-E349 VanDerWaalsContact C-N 3.35Å; E349-A351 VanDerWaalsContact C-N 3.26Å; E349-A351 PolarHBondContact O-N 3.49Å; E349-K352 WeakPolarHBondContact O-CB 3.28Å; E349-K352 PolarHBondContact O-N 3.12Å; E349-K352 IonicContact OE1-NZ 2.81Å; E349-K352 PolarHBondContact OE1-NZ 3.41Å; E349-K352 IonicContact OE2-NZ 3.68Å; E349-K352 PolarHBondContact OE2-NZ 3.24Å; E349-V353 PolarHBondContact O-N 2.8Å
350A85.7Confident79.6Confident13 Ų1368.3 Ų68.311%0.10736%0.355CS..Hα-helixtrans-58.5-38.8174.300000112.3L339 N346 R347 K352 V353 I354 S370L339-A350 HydrophobicContact CD1-CB 3.78Å; N346-A350 PolarHBondContact O-N 3.3Å; R347-A350 PolarHBondContact O-N 2.87Å; A350-K352 VanDerWaalsContact C-N 3.26Å; A350-K352 PolarHBondContact O-N 2.75Å; A350-V353 PolarHBondContact O-N 3.34Å; A350-V353 VanDerWaalsContact O-N 3.11Å; A350-I354 PolarHBondContact O-N 3.33Å; A350-S370 VanDerWaalsContact CB-OG 3.25Å; A350-S370 WeakPolarHBondContact CB-OG 3.27Å
351A86.8Confident79Confident1 Ų167 Ų671%0.00836%0.362CS..Hα-helixtrans-63.2-28175.500000113.9L339 R340 R347 L348 E349 V353L339-A351 HydrophobicContact CB-CB 3.82Å; R340-A351 HydrophobicContact CG-CB 3.84Å; R347-A351 WeakPolarHBondContact O-CB 3.48Å; R347-A351 PolarHBondContact O-N 2.95Å; L348-A351 PolarHBondContact O-N 3.13Å; E349-A351 VanDerWaalsContact C-N 3.26Å; E349-A351 PolarHBondContact O-N 3.49Å; A351-V353 VanDerWaalsContact C-N 3.34Å
352K87.2Confident79.1Confident125 Ų12568.6 Ų68.654%0.54337%0.371SS..Hα-helixtrans-76.1-23175.7-67.8171.4-173.6169.80112.8L348 E349 A350 P355L348-K352 WeakPolarHBondContact O-CG 3.47Å; L348-K352 PolarHBondContact O-N 3.32Å; E349-K352 WeakPolarHBondContact O-CB 3.28Å; E349-K352 PolarHBondContact O-N 3.12Å; E349-K352 IonicContact OE1-NZ 2.81Å; E349-K352 PolarHBondContact OE1-NZ 3.41Å; E349-K352 IonicContact OE2-NZ 3.68Å; E349-K352 PolarHBondContact OE2-NZ 3.24Å; A350-K352 VanDerWaalsContact C-N 3.26Å; A350-K352 PolarHBondContact O-N 2.75Å; K352-P355 WeakPolarHBondContact O-CD 3.4Å
353V91.1Very high79.5Confident68 Ų6867.6 Ų67.641%0.41237%0.365SS..Hα-helixtrans-83-27.2179-179.50000111.5E349 A350 A351 P355 T356 L366E349-V353 PolarHBondContact O-N 2.8Å; A350-V353 PolarHBondContact O-N 3.34Å; A350-V353 VanDerWaalsContact O-N 3.11Å; A351-V353 VanDerWaalsContact C-N 3.34Å; V353-P355 VanDerWaalsContact C-CD 3.43Å; V353-P355 VanDerWaalsContact C-N 3.35Å; V353-P355 VanDerWaalsContact O-N 3.17Å; V353-T356 PolarHBondContact O-N 2.96Å; V353-T356 PolarHBondContact O-OG1 2.99Å; V353-L366 HydrophobicContact CB-CD2 4.42Å; V353-L366 HydrophobicContact CG1-CD2 4.3Å
354I90.3Very high80.4Confident0 Ų068.1 Ų68.10%035%0.353CS..G310 helixtrans-48.6-44.1-178.7-75.7175.3000114.9Y327 H332 A335 A336 L339 A350 T356 V357 L363 L366Y327-I354 HydrophobicContact CD1-CG2 4.27Å; Y327-I354 HydrophobicContact CE1-CG2 4.38Å; H332-I354 HydrophobicContact CB-CG2 3.98Å; H332-I354 VanDerWaalsContact O-CG2 3.23Å; H332-I354 WeakPolarHBondContact O-CG2 3.48Å; A335-I354 HydrophobicContact CB-CD1 3.84Å; A336-I354 HydrophobicContact CB-CB 4.4Å; A336-I354 HydrophobicContact CB-CD1 4.1Å; A336-I354 HydrophobicContact CB-CG2 4.17Å; L339-I354 HydrophobicContact CD1-CD1 3.6Å; L339-I354 HydrophobicContact CD1-CG1 4.46Å; L339-I354 HydrophobicContact CG-CD1 4.31Å; A350-I354 PolarHBondContact O-N 3.33Å; I354-T356 PolarHBondContact O-N 2.96Å; I354-T356 VanDerWaalsContact O-N 3.13Å; I354-V357 WeakPolarHBondContact O-CB 3.49Å; I354-V357 PolarHBondContact O-N 2.95Å; I354-V357 VanDerWaalsContact O-N 3.07Å; I354-L363 HydrophobicContact CB-CD1 4.48Å; I354-L363 HydrophobicContact CD1-CD1 4.33Å; I354-L363 HydrophobicContact CG1-CD1 4.03Å; I354-L363 HydrophobicContact CG2-CD1 3.87Å; I354-L366 HydrophobicContact CG1-CD2 3.9Å
355P89.1Confident81.1Confident30 Ų3065.8 Ų65.820%0.19535%0.347CS..G310 helixtrans-58.8-21.4177-26.435.4000115.2T325 Y327 K352 V353T325-P355 HydrophobicContact CG2-CB 3.82Å; T325-P355 HydrophobicContact CG2-CG 3.41Å; T325-P355 VanDerWaalsContact CG2-CG 3.41Å; Y327-P355 HydrophobicContact CD1-CG 4.12Å; Y327-P355 HydrophobicContact CE1-CG 3.71Å; K352-P355 WeakPolarHBondContact O-CD 3.4Å; V353-P355 VanDerWaalsContact C-CD 3.43Å; V353-P355 VanDerWaalsContact C-N 3.35Å; V353-P355 VanDerWaalsContact O-N 3.17Å
356T88.5Confident82.4Confident104 Ų10461 Ų6164%0.63832%0.324SS*.G310 helixtrans-94.54179.771.60000112.8V353 I354V353-T356 PolarHBondContact O-N 2.96Å; V353-T356 PolarHBondContact O-OG1 2.99Å; I354-T356 PolarHBondContact O-N 2.96Å; I354-T356 VanDerWaalsContact O-N 3.13Å
357V86.9Confident83.4Confident12 Ų1255.7 Ų55.77%0.07330%0.297CS..  trans-95.4112.4179.1-179.10000108.3H332 I354 S359 Q362 L363 L366H332-V357 PolarHBondContact CD2-O 3.16Å; H332-V357 VanDerWaalsContact CD2-O 3.28Å; H332-V357 PolarHBondContact NE2-O 3.09Å; I354-V357 WeakPolarHBondContact O-CB 3.49Å; I354-V357 PolarHBondContact O-N 2.95Å; I354-V357 VanDerWaalsContact O-N 3.07Å; V357-S359 WeakPolarHBondContact CG1-O 3.29Å; V357-Q362 HydrophobicContact CG1-CB 3.44Å; V357-Q362 VanDerWaalsContact CG1-CB 3.44Å; V357-L363 HydrophobicContact CG1-CB 4.07Å; V357-L363 VanDerWaalsContact CG1-N 3.35Å; V357-L366 HydrophobicContact CG2-CD2 3.91Å
358D77.5Confident83.7Confident125 Ų12557.1 Ų57.167%0.66832%0.315SS*.  trans-85.5-31-175.5-65.4-32.4000112.7
359S74.1Confident83.9Confident37 Ų3760.9 Ų60.926%0.25933%0.33SS..SBendtrans-101.2137.7-174.874.80000112.4V357 S361 Q362 L363V357-S359 WeakPolarHBondContact CG1-O 3.29Å; S359-S361 PolarHBondContact O-N 2.82Å; S359-Q362 PolarHBondContact O-N 3.12Å; S359-Q362 VanDerWaalsContact O-N 3.16Å; S359-Q362 VanDerWaalsContact OG-CB 3.27Å; S359-Q362 WeakPolarHBondContact OG-CB 3.46Å; S359-Q362 WeakPolarHBondContact OG-CG 3.17Å; S359-Q362 PolarHBondContact OG-N 2.8Å; S359-Q362 PolarHBondContact OG-OE1 3.02Å; S359-L363 PolarHBondContact O-N 2.81Å
360R75.4Confident84Confident63 Ų6357.3 Ų57.324%0.23832%0.316CS..Hα-helixtrans-58.3-34.6175.8-63.9178.666-164.31.7112.4T315 E331 L363 R364T315-R360 VanDerWaalsContact CG2-NH2 3.34Å; E331-R360 IonicContact OE1-NH2 3.39Å; E331-R360 IonicContact OE2-CZ 3.91Å; E331-R360 VanDerWaalsContact OE2-CZ 3.22Å; E331-R360 IonicContact OE2-NE 3.31Å; E331-R360 PolarHBondContact OE2-NE 3.44Å; E331-R360 IonicContact OE2-NH2 3.97Å; E331-R360 PolarHBondContact OE2-NH2 3.12Å; R360-L363 WeakPolarHBondContact O-CB 3.14Å; R360-L363 PolarHBondContact O-N 3.02Å; R360-R364 WeakPolarHBondContact O-CG 3.35Å; R360-R364 PolarHBondContact O-N 2.68Å
361S72.9Confident83.8Confident79 Ų7957.8 Ų57.855%0.55232%0.318SS*.Hα-helixtrans-63.8-45.1177.3-46.20000111.8S359 L363 R364 A365S359-S361 PolarHBondContact O-N 2.82Å; S361-L363 VanDerWaalsContact C-N 3.35Å; S361-R364 PolarHBondContact O-N 3.37Å; S361-A365 WeakPolarHBondContact O-CB 3.4Å; S361-A365 PolarHBondContact O-N 3.48Å
362Q83.1Confident83.5Confident115 Ų11563 Ų6354%0.53735%0.35SS..Hα-helixtrans-66.2-37.7174.4-73.2166.2-16.100111.5V357 S359 A365 L366V357-Q362 HydrophobicContact CG1-CB 3.44Å; V357-Q362 VanDerWaalsContact CG1-CB 3.44Å; S359-Q362 PolarHBondContact O-N 3.12Å; S359-Q362 VanDerWaalsContact O-N 3.16Å; S359-Q362 VanDerWaalsContact OG-CB 3.27Å; S359-Q362 WeakPolarHBondContact OG-CB 3.46Å; S359-Q362 WeakPolarHBondContact OG-CG 3.17Å; S359-Q362 PolarHBondContact OG-N 2.8Å; S359-Q362 PolarHBondContact OG-OE1 3.02Å; Q362-A365 PolarHBondContact O-N 2.96Å; Q362-L366 VanDerWaalsContact O-CB 3.31Å; Q362-L366 WeakPolarHBondContact O-CB 3.33Å; Q362-L366 PolarHBondContact O-N 2.89Å
363L84.1Confident83.1Confident2 Ų260.6 Ų60.61%0.0136%0.361CS..Hα-helixtrans-60-49176.4177.567.8000110.6E331 H332 A335 I354 V357 S359 R360 S361 L366 V367E331-L363 HydrophobicContact CB-CD2 4.21Å; E331-L363 HydrophobicContact CG-CD2 3.82Å; H332-L363 HydrophobicContact CB-CD2 4.42Å; A335-L363 HydrophobicContact CB-CD1 3.85Å; A335-L363 HydrophobicContact CB-CD2 4.36Å; A335-L363 HydrophobicContact CB-CG 4.36Å; I354-L363 HydrophobicContact CB-CD1 4.48Å; I354-L363 HydrophobicContact CD1-CD1 4.33Å; I354-L363 HydrophobicContact CG1-CD1 4.03Å; I354-L363 HydrophobicContact CG2-CD1 3.87Å; V357-L363 HydrophobicContact CG1-CB 4.07Å; V357-L363 VanDerWaalsContact CG1-N 3.35Å; S359-L363 PolarHBondContact O-N 2.81Å; R360-L363 WeakPolarHBondContact O-CB 3.14Å; R360-L363 PolarHBondContact O-N 3.02Å; S361-L363 VanDerWaalsContact C-N 3.35Å; L363-L366 PolarHBondContact O-N 3Å; L363-V367 HydrophobicContact CD1-CG2 4.32Å; L363-V367 VanDerWaalsContact O-CG2 3.31Å; L363-V367 WeakPolarHBondContact O-CG2 3.45Å; L363-V367 PolarHBondContact O-N 2.85Å
364R82.7Confident82.7Confident102 Ų10258.7 Ų58.739%0.38535%0.348SS..Hα-helixtrans-62.4-43.4179.1-72.6173.4177.4-164.4-7.4111.8E331 R360 S361 V367 A368E331-R364 IonicContact OE1-CZ 3.71Å; E331-R364 IonicContact OE1-NE 3.98Å; E331-R364 PolarHBondContact OE1-NE 2.91Å; E331-R364 IonicContact OE1-NH2 2.8Å; R360-R364 WeakPolarHBondContact O-CG 3.35Å; R360-R364 PolarHBondContact O-N 2.68Å; S361-R364 PolarHBondContact O-N 3.37Å; R364-V367 PolarHBondContact O-N 3.44Å; R364-A368 VanDerWaalsContact O-CB 3.29Å; R364-A368 WeakPolarHBondContact O-CB 3.47Å; R364-A368 PolarHBondContact O-N 2.9Å
365A81.6Confident82.3Confident45 Ų4562.3 Ų62.337%0.37237%0.372SS..Hα-helixtrans-59.9-47.8174.600000111.5S361 Q362 V367 A368 E369S361-A365 WeakPolarHBondContact O-CB 3.4Å; S361-A365 PolarHBondContact O-N 3.48Å; Q362-A365 PolarHBondContact O-N 2.96Å; A365-V367 PolarHBondContact O-N 3.43Å; A365-A368 PolarHBondContact O-N 2.93Å; A365-E369 WeakPolarHBondContact O-CB 3.29Å; A365-E369 WeakPolarHBondContact O-CG 3.31Å; A365-E369 PolarHBondContact O-N 3.16Å
366L86.3Confident81.6Confident34 Ų3467.3 Ų67.318%0.17840%0.397CS..Hα-helixtrans-61.6-42.7178.9-17965.7000112.2V353 I354 V357 Q362 L363 S370V353-L366 HydrophobicContact CB-CD2 4.42Å; V353-L366 HydrophobicContact CG1-CD2 4.3Å; I354-L366 HydrophobicContact CG1-CD2 3.9Å; V357-L366 HydrophobicContact CG2-CD2 3.91Å; Q362-L366 VanDerWaalsContact O-CB 3.31Å; Q362-L366 WeakPolarHBondContact O-CB 3.33Å; Q362-L366 PolarHBondContact O-N 2.89Å; L363-L366 PolarHBondContact O-N 3Å; L366-S370 WeakPolarHBondContact O-CB 3.31Å; L366-S370 PolarHBondContact O-N 2.82Å; L366-S370 PolarHBondContact O-OG 3.4Å
367V85.9Confident81.1Confident30 Ų3065.7 Ų65.718%0.18239%0.39CS..Hα-helixtrans-66.7-42.4177172.80000110.7A335 F338 L363 R364 A365 S370 S371A335-V367 HydrophobicContact CB-CG2 3.77Å; F338-V367 HydrophobicContact CD1-CG1 4.14Å; F338-V367 HydrophobicContact CE1-CG1 4.14Å; L363-V367 HydrophobicContact CD1-CG2 4.32Å; L363-V367 VanDerWaalsContact O-CG2 3.31Å; L363-V367 WeakPolarHBondContact O-CG2 3.45Å; L363-V367 PolarHBondContact O-N 2.85Å; R364-V367 PolarHBondContact O-N 3.44Å; A365-V367 PolarHBondContact O-N 3.43Å; V367-S370 PolarHBondContact O-N 3.02Å; V367-S371 VanDerWaalsContact O-CB 3.29Å; V367-S371 WeakPolarHBondContact O-CB 3.46Å; V367-S371 PolarHBondContact O-N 3.43Å; V367-S371 PolarHBondContact O-OG 3.38Å
368A83.5Confident80.8Confident59 Ų5967.5 Ų67.549%0.48840%0.401SS..Hα-helixtrans-61.7-49.1176.800000111.3R364 A365 S370 S371 V372R364-A368 VanDerWaalsContact O-CB 3.29Å; R364-A368 WeakPolarHBondContact O-CB 3.47Å; R364-A368 PolarHBondContact O-N 2.9Å; A365-A368 PolarHBondContact O-N 2.93Å; A368-S370 VanDerWaalsContact C-N 3.33Å; A368-S370 PolarHBondContact O-N 3.45Å; A368-S371 PolarHBondContact O-N 3.09Å; A368-S371 VanDerWaalsContact O-N 3.08Å; A368-V372 PolarHBondContact O-N 3.37Å
369E85.6Confident80.9Confident140 Ų14062.9 Ų62.965%0.65438%0.376SS*.Hα-helixtrans-58.4-43.8175.5-74.1176-17200111.9A365 S371 V372A365-E369 WeakPolarHBondContact O-CB 3.29Å; A365-E369 WeakPolarHBondContact O-CG 3.31Å; A365-E369 PolarHBondContact O-N 3.16Å; E369-S371 PolarHBondContact O-N 3.27Å; E369-V372 WeakPolarHBondContact O-CB 3.44Å; E369-V372 WeakPolarHBondContact O-CG2 3.47Å; E369-V372 PolarHBondContact O-N 3.47Å
370S85.1Confident81Confident20 Ų2065.9 Ų65.914%0.1439%0.386CS..Hα-helixtrans-70.3-19.3178.7-58.80000113.3R347 A350 L366 V367 A368R347-S370 PolarHBondContact NE-O 3.18Å; A350-S370 VanDerWaalsContact CB-OG 3.25Å; A350-S370 WeakPolarHBondContact CB-OG 3.27Å; L366-S370 WeakPolarHBondContact O-CB 3.31Å; L366-S370 PolarHBondContact O-N 2.82Å; L366-S370 PolarHBondContact O-OG 3.4Å; V367-S370 PolarHBondContact O-N 3.02Å; A368-S370 VanDerWaalsContact C-N 3.33Å; A368-S370 PolarHBondContact O-N 3.45Å
371S81.4Confident81.2Confident22 Ų2266.9 Ų66.915%0.15440%0.396CS..Hα-helixtrans-89.1-13.3178.9-58.60000113.1V367 A368 E369 G373 L374V367-S371 VanDerWaalsContact O-CB 3.29Å; V367-S371 WeakPolarHBondContact O-CB 3.46Å; V367-S371 PolarHBondContact O-N 3.43Å; V367-S371 PolarHBondContact O-OG 3.38Å; A368-S371 PolarHBondContact O-N 3.09Å; A368-S371 VanDerWaalsContact O-N 3.08Å; E369-S371 PolarHBondContact O-N 3.27Å; S371-G373 PolarHBondContact O-N 3.01Å; S371-L374 WeakPolarHBondContact O-CB 3.48Å; S371-L374 WeakPolarHBondContact O-CG 3.48Å; S371-L374 PolarHBondContact O-N 2.68Å; S371-L374 VanDerWaalsContact O-N 3.11Å
372V81Confident81.6Confident111 Ų11163.9 Ų63.967%0.67337%0.372SS*.THydrogen-bonded Turntrans-53.6131177177.70000110.3R347 A368 E369R347-V372 PolarHBondContact NH2-O 3.32Å; A368-V372 PolarHBondContact O-N 3.37Å; E369-V372 WeakPolarHBondContact O-CB 3.44Å; E369-V372 WeakPolarHBondContact O-CG2 3.47Å; E369-V372 PolarHBondContact O-N 3.47Å
373G79.8Confident81.3Confident75 Ų7564.8 Ų64.877%0.77337%0.371SS*.THydrogen-bonded Turntrans84.3-1.4179.100000115.8S371S371-G373 PolarHBondContact O-N 3.01Å
374L81.7Confident80.7Confident27 Ų2769.1 Ų69.114%0.14140%0.398CS..  trans-76.4140.2169.3-66.6169.7000110.3L342 S371 D376 I379L342-L374 HydrophobicContact CD1-CD1 3.39Å; L342-L374 HydrophobicContact CD1-CD2 4.41Å; L342-L374 HydrophobicContact CD2-CD1 4.2Å; L342-L374 HydrophobicContact CD2-CD2 4.24Å; L342-L374 HydrophobicContact CG-CD1 4.4Å; S371-L374 WeakPolarHBondContact O-CB 3.48Å; S371-L374 WeakPolarHBondContact O-CG 3.48Å; S371-L374 PolarHBondContact O-N 2.68Å; S371-L374 VanDerWaalsContact O-N 3.11Å; L374-D376 PolarHBondContact O-N 3.39Å; L374-I379 HydrophobicContact CB-CD1 4.16Å; L374-I379 HydrophobicContact CB-CG1 4.2Å; L374-I379 HydrophobicContact CD1-CG1 4.31Å
375P81.6Confident80.5Confident77 Ų7770.6 Ų70.650%0.541%0.409SS..  trans-62.6135.7168.5-18.530.5000110.5S377 V378 I379P375-S377 PolarHBondContact O-N 3.46Å; P375-V378 HydrophobicContact CB-CG2 4.22Å; P375-V378 HydrophobicContact CG-CG2 4.17Å; P375-V378 WeakPolarHBondContact O-CB 3.33Å; P375-V378 PolarHBondContact O-N 2.82Å; P375-I379 PolarHBondContact O-N 3.45Å
376D75.9Confident80.6Confident135 Ų13572 Ų7272%0.72241%0.406SS*.Hα-helixtrans-53.5-32.3177.3-66.6-26.9000112.2L374 V378 I379 Q380L374-D376 PolarHBondContact O-N 3.39Å; D376-V378 VanDerWaalsContact C-N 3.28Å; D376-V378 PolarHBondContact O-N 3.27Å; D376-I379 PolarHBondContact O-N 3.22Å; D376-Q380 VanDerWaalsContact O-CB 3.28Å; D376-Q380 WeakPolarHBondContact O-CB 3Å; D376-Q380 PolarHBondContact O-N 2.99Å
377S76.4Confident80.5Confident70 Ų7072 Ų7249%0.4941%0.406SS..Hα-helixtrans-59.8-35.5175.663.30000113.1P375 N381P375-S377 PolarHBondContact O-N 3.46Å; S377-N381 WeakPolarHBondContact O-CB 3.26Å; S377-N381 PolarHBondContact O-N 3.43Å; S377-N381 PolarHBondContact O-ND2 3.36Å; S377-N381 PolarHBondContact O-OD1 3Å
378V81Confident80.4Confident50 Ų5074 Ų7430%0.30341%0.411SS..Hα-helixtrans-72.1-43.1179.2178.10000110.4L342 P375 D376 W382L342-V378 HydrophobicContact CD2-CG1 3.56Å; P375-V378 HydrophobicContact CB-CG2 4.22Å; P375-V378 HydrophobicContact CG-CG2 4.17Å; P375-V378 WeakPolarHBondContact O-CB 3.33Å; P375-V378 PolarHBondContact O-N 2.82Å; D376-V378 VanDerWaalsContact C-N 3.28Å; D376-V378 PolarHBondContact O-N 3.27Å; V378-W382 PolarHBondContact O-N 2.94Å
379I80.7Confident80.5Confident28 Ų2875.5 Ų75.514%0.14441%0.414CS..Hα-helixtrans-63.4-47.1176.9-59.4176.4000109.4F338 L374 P375 D376 W382 R383F338-I379 HydrophobicContact CZ-CG1 4.45Å; L374-I379 HydrophobicContact CB-CD1 4.16Å; L374-I379 HydrophobicContact CB-CG1 4.2Å; L374-I379 HydrophobicContact CD1-CG1 4.31Å; P375-I379 PolarHBondContact O-N 3.45Å; D376-I379 PolarHBondContact O-N 3.22Å; I379-W382 PolarHBondContact O-N 3.46Å; I379-R383 WeakPolarHBondContact O-CG 3.36Å; I379-R383 PolarHBondContact O-N 2.93Å
380Q75.4Confident80.7Confident100 Ų10069.7 Ų69.747%0.46739%0.388SS..Hα-helixtrans-64.4-44179.9-166.263.210.400111.6D376 W382 R383 T384D376-Q380 VanDerWaalsContact O-CB 3.28Å; D376-Q380 WeakPolarHBondContact O-CB 3Å; D376-Q380 PolarHBondContact O-N 2.99Å; Q380-W382 VanDerWaalsContact C-N 3.32Å; Q380-W382 PolarHBondContact O-N 3.12Å; Q380-R383 WeakPolarHBondContact O-CB 3.46Å; Q380-R383 PolarHBondContact O-N 3.16Å; Q380-R383 VanDerWaalsContact O-N 3.16Å; Q380-T384 HydrophobicContact CG-CG2 4.46Å; Q380-T384 WeakPolarHBondContact O-CG2 3.32Å; Q380-T384 PolarHBondContact O-N 3.49Å; Q380-T384 PolarHBondContact O-OG1 3.32Å
381N78.8Confident80.9Confident83 Ų8369 Ų6944%0.44438%0.383SS..Hα-helixtrans-59.9-41.4175.5-73.4-3.4000111.7S377 T384 E385S377-N381 WeakPolarHBondContact O-CB 3.26Å; S377-N381 PolarHBondContact O-N 3.43Å; S377-N381 PolarHBondContact O-ND2 3.36Å; S377-N381 PolarHBondContact O-OD1 3Å; N381-T384 WeakPolarHBondContact CA-OG1 3.36Å; N381-T384 PolarHBondContact O-N 2.96Å; N381-T384 PolarHBondContact O-OG1 2.87Å; N381-E385 WeakPolarHBondContact O-CB 3.44Å; N381-E385 VanDerWaalsContact O-CG 3.31Å; N381-E385 WeakPolarHBondContact O-CG 3.42Å; N381-E385 PolarHBondContact O-N 3.25Å
382W82.8Confident81.3Confident16 Ų1671.8 Ų71.86%0.06139%0.392CS..Hα-helixtrans-66-42.3175.6-173.488.2000112V334 F338 F341 V378 I379 Q380 T384 K386 M387 T390V334-W382 HydrophobicContact CG1-CH2 3.85Å; F338-W382 HydrophobicContact CB-CD2 4.49Å; F338-W382 HydrophobicContact CB-CH2 3.71Å; F338-W382 HydrophobicContact CB-CZ2 3.63Å; F338-W382 HydrophobicContact CB-CZ3 4.18Å; F338-W382 HydrophobicContact CD2-CB 4.41Å; F338-W382 AromaticContact CD2-CD2 3.37Å; F338-W382 HydrophobicContact CD2-CD2 3.37Å; F338-W382 AromaticContact CD2-CE2 3.67Å; F338-W382 AromaticContact CD2-CE3 3.51Å; F338-W382 HydrophobicContact CD2-CE3 3.51Å; F338-W382 AromaticContact CD2-CG 3.76Å; F338-W382 HydrophobicContact CD2-CG 3.76Å; F338-W382 HydrophobicContact CD2-CH2 4.2Å; F338-W382 HydrophobicContact CD2-CZ2 4.1Å; F338-W382 AromaticContact CD2-CZ3 3.91Å; F338-W382 HydrophobicContact CD2-CZ3 3.91Å; F338-W382 HydrophobicContact CE2-CB 4.24Å; F338-W382 AromaticContact CE2-CD2 3.99Å; F338-W382 HydrophobicContact CE2-CD2 3.99Å; F338-W382 AromaticContact CE2-CE3 4Å; F338-W382 HydrophobicContact CE2-CE3 4Å; F338-W382 HydrophobicContact CE2-CG 4.08Å; F338-W382 HydrophobicContact CG-CD2 4.32Å; F338-W382 HydrophobicContact CG-CE3 4.28Å; F338-W382 HydrophobicContact CG-CH2 4.26Å; F338-W382 HydrophobicContact CG-CZ2 4.32Å; F338-W382 HydrophobicContact CG-CZ3 4.23Å; F341-W382 AromaticContact CD1-CD1 3.21Å; F341-W382 HydrophobicContact CD1-CG 4.13Å; F341-W382 AromaticContact CD1-NE1 3.9Å; F341-W382 HydrophobicContact CE1-CB 4.44Å; F341-W382 AromaticContact CE1-CD1 3.66Å; F341-W382 HydrophobicContact CE1-CG 4.43Å; F341-W382 AromaticContact CG-CD1 3.76Å; V378-W382 PolarHBondContact O-N 2.94Å; I379-W382 PolarHBondContact O-N 3.46Å; Q380-W382 VanDerWaalsContact C-N 3.32Å; Q380-W382 PolarHBondContact O-N 3.12Å; W382-T384 PolarHBondContact O-N 2.83Å; W382-K386 HydrophobicContact CD2-CB 4.46Å; W382-K386 HydrophobicContact CG-CB 4.24Å; W382-K386 WeakPolarHBondContact O-CA 3.32Å; W382-K386 PolarHBondContact O-N 3Å; W382-M387 HydrophobicContact CE3-CB 4.11Å; W382-M387 HydrophobicContact CE3-SD 4.39Å; W382-M387 HydrophobicContact CH2-CB 4.21Å; W382-M387 HydrophobicContact CH2-CG 4.33Å; W382-M387 HydrophobicContact CH2-SD 3.25Å; W382-M387 WeakPolarHBondContact CH2-SD 3.46Å; W382-M387 HydrophobicContact CZ2-SD 4.43Å; W382-M387 HydrophobicContact CZ3-CB 3.79Å; W382-M387 HydrophobicContact CZ3-CG 3.97Å; W382-M387 HydrophobicContact CZ3-SD 3.23Å; W382-M387 WeakPolarHBondContact CZ3-SD 3.22Å; W382-M387 PolarHBondContact O-N 2.96Å; W382-T390 HydrophobicContact CZ2-CG2 4.29Å
383R77Confident81.7Confident135 Ų13570.9 Ų70.951%0.50938%0.383SS..Hα-helixtrans-58.6-44.8175.5-75.6179.8179.4-176-1.2111.7I379 Q380 M387I379-R383 WeakPolarHBondContact O-CG 3.36Å; I379-R383 PolarHBondContact O-N 2.93Å; Q380-R383 WeakPolarHBondContact O-CB 3.46Å; Q380-R383 PolarHBondContact O-N 3.16Å; Q380-R383 VanDerWaalsContact O-N 3.16Å; R383-M387 VanDerWaalsContact O-CB 3.31Å; R383-M387 WeakPolarHBondContact O-CB 3.48Å
384T71.4Confident82.3Confident93 Ų9367.3 Ų67.357%0.57135%0.346SS*.Hα-helixtrans-77.9-40.2-177.853.30000113.3Q380 N381 W382Q380-T384 HydrophobicContact CG-CG2 4.46Å; Q380-T384 WeakPolarHBondContact O-CG2 3.32Å; Q380-T384 PolarHBondContact O-N 3.49Å; Q380-T384 PolarHBondContact O-OG1 3.32Å; N381-T384 WeakPolarHBondContact CA-OG1 3.36Å; N381-T384 PolarHBondContact O-N 2.96Å; N381-T384 PolarHBondContact O-OG1 2.87Å; W382-T384 PolarHBondContact O-N 2.83Å
385E78.4Confident82.7Confident133 Ų13366 Ų6662%0.62134%0.339SS*.Hα-helixtrans-93.8-31.2-171-62.5-179.8176.400114N381N381-E385 WeakPolarHBondContact O-CB 3.44Å; N381-E385 VanDerWaalsContact O-CG 3.31Å; N381-E385 WeakPolarHBondContact O-CG 3.42Å; N381-E385 PolarHBondContact O-N 3.25Å
386K82.8Confident83.1Confident74 Ų7465.6 Ų65.632%0.32233%0.333SS..THydrogen-bonded Turntrans-124.9-26.5-166.2-63.3-162.9178.1-163.30115.3F341 W382 Y388 T389 T390F341-K386 HydrophobicContact CD2-CD 4.2Å; F341-K386 HydrophobicContact CE2-CD 4.07Å; F341-K386 HydrophobicContact CZ-CD 4.19Å; W382-K386 HydrophobicContact CD2-CB 4.46Å; W382-K386 HydrophobicContact CG-CB 4.24Å; W382-K386 WeakPolarHBondContact O-CA 3.32Å; W382-K386 PolarHBondContact O-N 3Å; K386-Y388 PolarHBondContact O-N 3.11Å; K386-T389 PolarHBondContact O-N 3.49Å; K386-T389 PolarHBondContact O-OG1 3.29Å; K386-T390 VanDerWaalsContact O-CB 3.27Å; K386-T390 WeakPolarHBondContact O-CB 3.14Å; K386-T390 PolarHBondContact O-N 2.95Å; K386-T390 PolarHBondContact O-OG1 2.99Å
387M84.6Confident83.9Confident34 Ų3461.3 Ų61.317%0.16731%0.31CS..Hα-helixtrans-59.5-46.6-175.1-179.664.3168.600111.8V334 W382 R383 T389 T390 L391 W427V334-M387 HydrophobicContact CG1-CE 3.95Å; V334-M387 HydrophobicContact CG1-SD 3.52Å; V334-M387 VanDerWaalsContact CG1-SD 3.52Å; W382-M387 HydrophobicContact CE3-CB 4.11Å; W382-M387 HydrophobicContact CE3-SD 4.39Å; W382-M387 HydrophobicContact CH2-CB 4.21Å; W382-M387 HydrophobicContact CH2-CG 4.33Å; W382-M387 HydrophobicContact CH2-SD 3.25Å; W382-M387 WeakPolarHBondContact CH2-SD 3.46Å; W382-M387 HydrophobicContact CZ2-SD 4.43Å; W382-M387 HydrophobicContact CZ3-CB 3.79Å; W382-M387 HydrophobicContact CZ3-CG 3.97Å; W382-M387 HydrophobicContact CZ3-SD 3.23Å; W382-M387 WeakPolarHBondContact CZ3-SD 3.22Å; W382-M387 PolarHBondContact O-N 2.96Å; R383-M387 VanDerWaalsContact O-CB 3.31Å; R383-M387 WeakPolarHBondContact O-CB 3.48Å; M387-T389 PolarHBondContact O-N 3.14Å; M387-T390 PolarHBondContact O-N 2.94Å; M387-L391 WeakPolarHBondContact O-CB 3.33Å; M387-L391 PolarHBondContact O-N 3.08Å; M387-W427 HydrophobicContact CB-CZ2 4.13Å; M387-W427 HydrophobicContact CE-CZ2 4.07Å; M387-W427 HydrophobicContact CG-CH2 4.02Å; M387-W427 HydrophobicContact CG-CZ2 3.2Å; M387-W427 HydrophobicContact SD-CZ2 4.43Å
388Y83.5Confident84.7Confident73 Ų7358 Ų5829%0.28629%0.287SS..Hα-helixtrans-60.8-44.4179.5-176-90.2000113K386 K392 W427 L472 D475K386-Y388 PolarHBondContact O-N 3.11Å; Y388-K392 VanDerWaalsContact O-CB 3.28Å; Y388-K392 WeakPolarHBondContact O-CB 3.46Å; Y388-K392 PolarHBondContact O-N 3.31Å; Y388-W427 HydrophobicContact CD2-CH2 4.08Å; Y388-W427 HydrophobicContact CD2-CZ3 4.07Å; Y388-L472 HydrophobicContact CE2-CB 4.37Å; Y388-L472 HydrophobicContact CE2-CD1 4.4Å; Y388-D475 PolarHBondContact OH-OD2 3.46Å
389T86.8Confident85.2Confident89 Ų8955.9 Ų55.955%0.54627%0.273SS..Hα-helixtrans-68.9-35.3178.451.40000112.1K386 M387 L393K386-T389 PolarHBondContact O-N 3.49Å; K386-T389 PolarHBondContact O-OG1 3.29Å; M387-T389 PolarHBondContact O-N 3.14Å; T389-L393 WeakPolarHBondContact O-CB 3.14Å; T389-L393 PolarHBondContact O-N 2.86Å
390T88.5Confident85.6Confident18 Ų1857.7 Ų57.711%0.1129%0.293CS..Hα-helixtrans-69-45.4176.7-55.20000111.6V334 L337 W382 K386 M387 L393 A394V334-T390 HydrophobicContact CB-CG2 4.48Å; V334-T390 HydrophobicContact CG1-CG2 4.15Å; V334-T390 HydrophobicContact CG2-CG2 4.27Å; L337-T390 HydrophobicContact CB-CG2 3.81Å; L337-T390 HydrophobicContact CD1-CG2 3.47Å; L337-T390 VanDerWaalsContact CD1-CG2 3.47Å; L337-T390 HydrophobicContact CG-CG2 4.27Å; W382-T390 HydrophobicContact CZ2-CG2 4.29Å; K386-T390 VanDerWaalsContact O-CB 3.27Å; K386-T390 WeakPolarHBondContact O-CB 3.14Å; K386-T390 PolarHBondContact O-N 2.95Å; K386-T390 PolarHBondContact O-OG1 2.99Å; M387-T390 PolarHBondContact O-N 2.94Å; T390-L393 WeakPolarHBondContact O-CB 3.43Å; T390-L393 PolarHBondContact O-N 3.1Å; T390-A394 WeakPolarHBondContact O-CB 3.44Å; T390-A394 PolarHBondContact O-N 2.73Å
391L89Confident86.4Confident7 Ų755.9 Ų55.94%0.03728%0.284CS..Hα-helixtrans-65.3-44.1176.2-171.971.3000110.8T314 V330 V334 M387 L393 A394 T395 W427 L472T314-L391 HydrophobicContact CG2-CD1 4.13Å; T314-L391 HydrophobicContact CG2-CG 4.45Å; V330-L391 HydrophobicContact CG1-CD1 3.59Å; V334-L391 HydrophobicContact CG2-CD1 3.88Å; M387-L391 WeakPolarHBondContact O-CB 3.33Å; M387-L391 PolarHBondContact O-N 3.08Å; L391-L393 VanDerWaalsContact C-N 3.33Å; L391-L393 PolarHBondContact O-N 3.43Å; L391-A394 WeakPolarHBondContact O-CB 3.3Å; L391-A394 PolarHBondContact O-N 3.43Å; L391-A394 VanDerWaalsContact O-N 3.13Å; L391-T395 WeakPolarHBondContact O-CB 3.45Å; L391-T395 PolarHBondContact O-N 3.17Å; L391-T395 PolarHBondContact O-OG1 2.84Å; L391-W427 HydrophobicContact CB-CZ3 4.45Å; L391-W427 HydrophobicContact CD2-CD2 3.71Å; L391-W427 HydrophobicContact CD2-CE3 3.1Å; L391-W427 HydrophobicContact CD2-CH2 3.96Å; L391-W427 HydrophobicContact CD2-CZ2 4.47Å; L391-W427 HydrophobicContact CD2-CZ3 3.23Å; L391-W427 HydrophobicContact CG-CZ3 4.44Å; L391-L472 HydrophobicContact CD2-CD2 4.16Å; L391-L472 HydrophobicContact CG-CD2 4.19Å
392K89.9Confident87Confident79 Ų7954.5 Ų54.534%0.34327%0.273SS..Hα-helixtrans-55.5-48.1174178.2171.5-179.2-166.80111.8Y388 A394 T395 D396 L472Y388-K392 VanDerWaalsContact O-CB 3.28Å; Y388-K392 WeakPolarHBondContact O-CB 3.46Å; Y388-K392 PolarHBondContact O-N 3.31Å; K392-A394 VanDerWaalsContact C-N 3.31Å; K392-A394 PolarHBondContact O-N 2.91Å; K392-T395 PolarHBondContact O-N 3.01Å; K392-D396 WeakPolarHBondContact O-CB 3.28Å; K392-D396 VanDerWaalsContact O-CG 3.25Å; K392-D396 PolarHBondContact O-N 2.98Å; K392-L472 HydrophobicContact CB-CD1 3.75Å; K392-L472 HydrophobicContact CB-CD2 4.39Å; K392-L472 HydrophobicContact CD-CD1 4.04Å; K392-L472 HydrophobicContact CG-CD1 3.79Å
393L90.1Very high87.2Confident92 Ų9257 Ų5748%0.48229%0.291SS..Hα-helixtrans-57.4-44.717617667.9000111.9T389 T390 L391 D396 L397T389-L393 WeakPolarHBondContact O-CB 3.14Å; T389-L393 PolarHBondContact O-N 2.86Å; T390-L393 WeakPolarHBondContact O-CB 3.43Å; T390-L393 PolarHBondContact O-N 3.1Å; L391-L393 VanDerWaalsContact C-N 3.33Å; L391-L393 PolarHBondContact O-N 3.43Å; L393-D396 PolarHBondContact O-N 3.24Å; L393-L397 WeakPolarHBondContact O-CB 3.48Å; L393-L397 PolarHBondContact O-N 2.89Å
394A91.7Very high87.7Confident0 Ų055.7 Ų55.70%029%0.291CS..Hα-helixtrans-66.3-41179.900000112.1V330 Y333 V334 T390 L391 K392 L397 K398V330-A394 HydrophobicContact CG1-CB 3.54Å; Y333-A394 HydrophobicContact CD1-CB 3.62Å; Y333-A394 HydrophobicContact CE1-CB 4.24Å; V334-A394 HydrophobicContact CG2-CB 3.76Å; T390-A394 WeakPolarHBondContact O-CB 3.44Å; T390-A394 PolarHBondContact O-N 2.73Å; L391-A394 WeakPolarHBondContact O-CB 3.3Å; L391-A394 PolarHBondContact O-N 3.43Å; L391-A394 VanDerWaalsContact O-N 3.13Å; K392-A394 VanDerWaalsContact C-N 3.31Å; K392-A394 PolarHBondContact O-N 2.91Å; A394-L397 PolarHBondContact O-N 3.3Å; A394-K398 PolarHBondContact O-N 2.87Å
395T91.3Very high88.6Confident0 Ų051.4 Ų51.40%027%0.265CS..Hα-helixtrans-67.6-43.8175-55.40000111.4T314 L391 K392 L397 K398 F399 L473 I476T314-T395 WeakPolarHBondContact CG2-OG1 3.43Å; L391-T395 WeakPolarHBondContact O-CB 3.45Å; L391-T395 PolarHBondContact O-N 3.17Å; L391-T395 PolarHBondContact O-OG1 2.84Å; K392-T395 PolarHBondContact O-N 3.01Å; T395-L397 PolarHBondContact O-N 3.39Å; T395-K398 WeakPolarHBondContact O-CB 3.27Å; T395-K398 PolarHBondContact O-N 3.44Å; T395-K398 VanDerWaalsContact O-N 3.11Å; T395-F399 HydrophobicContact CG2-CD2 3.82Å; T395-F399 HydrophobicContact CG2-CE2 3.74Å; T395-F399 VanDerWaalsContact O-CD2 3.31Å; T395-F399 WeakPolarHBondContact O-CD2 3.29Å; T395-F399 PolarHBondContact O-N 2.94Å; T395-L473 HydrophobicContact CG2-CD2 4.14Å; T395-I476 HydrophobicContact CG2-CD1 3.55Å
396D90.4Very high89.1Confident68 Ų6849 Ų4936%0.36425%0.252SS..Hα-helixtrans-58.1-39.5174.8-74.4-23.9000110.7K392 L393 F399 A400K392-D396 WeakPolarHBondContact O-CB 3.28Å; K392-D396 VanDerWaalsContact O-CG 3.25Å; K392-D396 PolarHBondContact O-N 2.98Å; L393-D396 PolarHBondContact O-N 3.24Å; D396-F399 PolarHBondContact O-N 2.96Å; D396-A400 WeakPolarHBondContact O-CB 3.33Å; D396-A400 PolarHBondContact O-N 3.36Å
397L91.6Very high89.2Confident46 Ų4650.2 Ų50.224%0.24126%0.262CS..Hα-helixtrans-66.8-40.6175.3-172.661.5000112.6I320 A322 Y333 L393 A394 T395 A400 Q401I320-L397 HydrophobicContact CG2-CB 4.19Å; I320-L397 HydrophobicContact CG2-CD2 3.42Å; I320-L397 VanDerWaalsContact CG2-CD2 3.42Å; I320-L397 HydrophobicContact CG2-CG 3.52Å; A322-L397 HydrophobicContact CB-CD2 3.74Å; Y333-L397 HydrophobicContact CE1-CD2 4.19Å; L393-L397 WeakPolarHBondContact O-CB 3.48Å; L393-L397 PolarHBondContact O-N 2.89Å; A394-L397 PolarHBondContact O-N 3.3Å; T395-L397 PolarHBondContact O-N 3.39Å; L397-A400 PolarHBondContact O-N 3.4Å; L397-Q401 WeakPolarHBondContact O-CG 3.41Å; L397-Q401 PolarHBondContact O-N 3.3Å; L397-Q401 VanDerWaalsContact O-N 3.13Å
398K93.5Very high89.3Confident1 Ų150.4 Ų50.40%0.00426%0.263CS..Hα-helixtrans-57.5-50.2171.5-175.4-174.2174.7-176.10111.2A311 S313 M318 I320 V330 A394 T395 A400 Q401 Y402 L405A311-K398 WeakPolarHBondContact O-CE 3.17Å; A311-K398 PolarHBondContact O-NZ 3.28Å; S313-K398 PolarHBondContact O-NZ 3.31Å; M318-K398 HydrophobicContact SD-CD 4.5Å; M318-K398 WeakPolarHBondContact SD-CE 3.33Å; M318-K398 HydrophobicContact SD-CG 4.41Å; I320-K398 HydrophobicContact CD1-CB 3.76Å; I320-K398 HydrophobicContact CD1-CG 4.32Å; I320-K398 HydrophobicContact CG1-CB 4.29Å; V330-K398 HydrophobicContact CG2-CB 4.29Å; V330-K398 HydrophobicContact CG2-CD 3.76Å; V330-K398 HydrophobicContact CG2-CG 4.49Å; A394-K398 PolarHBondContact O-N 2.87Å; T395-K398 WeakPolarHBondContact O-CB 3.27Å; T395-K398 PolarHBondContact O-N 3.44Å; T395-K398 VanDerWaalsContact O-N 3.11Å; K398-A400 VanDerWaalsContact C-N 3.27Å; K398-A400 PolarHBondContact O-N 3.1Å; K398-Q401 PolarHBondContact O-N 3.07Å; K398-Q401 VanDerWaalsContact O-N 3.14Å; K398-Y402 HydrophobicContact CG-CD2 4.2Å; K398-Y402 WeakPolarHBondContact O-CD2 3.45Å; K398-Y402 PolarHBondContact O-N 2.84Å; K398-L405 HydrophobicContact CD-CD1 4.1Å; K398-L405 HydrophobicContact CG-CD1 3.83Å
399F90.7Very high89.6Confident5 Ų546.9 Ų46.92%0.02225%0.25CC..Hα-helixtrans-68.3-24179.1-85.2-105.9000113.7L312 T395 D396 L405 K406 L409 L473L312-F399 HydrophobicContact CD2-CE1 4.49Å; L312-F399 HydrophobicContact CD2-CZ 3.96Å; T395-F399 HydrophobicContact CG2-CD2 3.82Å; T395-F399 HydrophobicContact CG2-CE2 3.74Å; T395-F399 VanDerWaalsContact O-CD2 3.31Å; T395-F399 WeakPolarHBondContact O-CD2 3.29Å; T395-F399 PolarHBondContact O-N 2.94Å; D396-F399 PolarHBondContact O-N 2.96Å; F399-L405 HydrophobicContact CD1-CB 3.91Å; F399-L405 HydrophobicContact CD2-CD1 4.48Å; F399-L405 HydrophobicContact CE1-CB 3.8Å; F399-L405 WeakPolarHBondContact CE1-O 3.39Å; F399-L405 HydrophobicContact CG-CB 4.36Å; F399-L405 HydrophobicContact CZ-CB 4.15Å; F399-K406 HydrophobicContact CD1-CG 3.84Å; F399-L409 HydrophobicContact CE1-CB 3.94Å; F399-L409 HydrophobicContact CE1-CD2 3.57Å; F399-L409 HydrophobicContact CE1-CG 4.36Å; F399-L409 HydrophobicContact CZ-CB 4.32Å; F399-L409 HydrophobicContact CZ-CD2 3.82Å; F399-L473 HydrophobicContact CE2-CD2 3.73Å; F399-L473 HydrophobicContact CZ-CD2 3.75Å
400A89.8Confident89.5Confident66 Ų6644.1 Ų44.155%0.54523%0.232SC..Hα-helixtrans-72.5-34.4171.900000112.1D396 L397 K398D396-A400 WeakPolarHBondContact O-CB 3.33Å; D396-A400 PolarHBondContact O-N 3.36Å; L397-A400 PolarHBondContact O-N 3.4Å; K398-A400 VanDerWaalsContact C-N 3.27Å; K398-A400 PolarHBondContact O-N 3.1Å
401Q91.6Very high89.3Confident62 Ų6249.2 Ų49.229%0.2926%0.257SS..Hα-helixtrans-85-27.4-179.1-69.2178.140.700113.5V321 L397 K398 P403V321-Q401 PolarHBondContact O-NE2 2.84Å; L397-Q401 WeakPolarHBondContact O-CG 3.41Å; L397-Q401 PolarHBondContact O-N 3.3Å; L397-Q401 VanDerWaalsContact O-N 3.13Å; K398-Q401 PolarHBondContact O-N 3.07Å; K398-Q401 VanDerWaalsContact O-N 3.14Å; Q401-P403 WeakPolarHBondContact O-CD 3.33Å
402Y92Very high89.2Confident54 Ų5448.9 Ų48.921%0.21226%0.256CS..  trans-123.278.7177.4-56.5-77.1000110.1M318 P319 K398 E404 L405M318-Y402 HydrophobicContact CE-CD1 3.38Å; M318-Y402 HydrophobicContact CE-CD2 3.67Å; M318-Y402 HydrophobicContact CE-CE1 3.74Å; M318-Y402 HydrophobicContact CE-CE2 4.02Å; M318-Y402 HydrophobicContact CE-CG 3.33Å; M318-Y402 HydrophobicContact CG-CD2 4.02Å; M318-Y402 HydrophobicContact CG-CE1 4.42Å; M318-Y402 HydrophobicContact CG-CE2 3.6Å; M318-Y402 HydrophobicContact SD-CD2 3.77Å; M318-Y402 HydrophobicContact SD-CE2 4.01Å; M318-Y402 HydrophobicContact SD-CG 4.05Å; P319-Y402 VanDerWaalsContact O-CE2 3.29Å; P319-Y402 WeakPolarHBondContact O-CE2 2.84Å; P319-Y402 PolarHBondContact O-OH 2.95Å; K398-Y402 HydrophobicContact CG-CD2 4.2Å; K398-Y402 WeakPolarHBondContact O-CD2 3.45Å; K398-Y402 PolarHBondContact O-N 2.84Å; Y402-E404 VanDerWaalsContact C-OE2 3.24Å; Y402-E404 WeakPolarHBondContact CA-OE2 3.4Å; Y402-E404 PolarHBondContact O-N 2.89Å; Y402-E404 VanDerWaalsContact O-N 3.17Å; Y402-L405 HydrophobicContact CD2-CD1 4.46Å; Y402-L405 HydrophobicContact CG-CD1 4.44Å; Y402-L405 WeakPolarHBondContact O-CB 3.43Å; Y402-L405 WeakPolarHBondContact O-CG 3.21Å; Y402-L405 PolarHBondContact O-N 3.47Å
403P86.7Confident88.7Confident69 Ų6946.2 Ų46.245%0.44825%0.251SS..THydrogen-bonded Turntrans-55.8-30.3-178.3-25.435.1000114Q401 L405 K406Q401-P403 WeakPolarHBondContact O-CD 3.33Å; P403-L405 PolarHBondContact O-N 2.92Å; P403-K406 WeakPolarHBondContact O-CB 3.34Å; P403-K406 WeakPolarHBondContact O-CG 3.48Å; P403-K406 PolarHBondContact O-N 3.38Å
404E86.8Confident88.2Confident106 Ų10643.6 Ų43.650%0.49524%0.237SC..Hα-helixtrans-58.8-24.3175.962.9-87.1-157.900113.2Y402 K406 D407 L408Y402-E404 VanDerWaalsContact C-OE2 3.24Å; Y402-E404 WeakPolarHBondContact CA-OE2 3.4Å; Y402-E404 PolarHBondContact O-N 2.89Å; Y402-E404 VanDerWaalsContact O-N 3.17Å; E404-K406 PolarHBondContact O-N 2.99Å; E404-D407 PolarHBondContact O-N 2.67Å; E404-L408 PolarHBondContact O-N 2.8Å
405L90.6Very high88Confident4 Ų447.9 Ų47.92%0.02125%0.253CS..Hα-helixtrans-66.3-24.6173.5-62.1-178.9000112.1A311 L312 M318 K398 F399 Y402 P403 L408 L409A311-L405 HydrophobicContact CB-CD2 3.97Å; L312-L405 HydrophobicContact CD2-CB 4.36Å; L312-L405 HydrophobicContact CD2-CD2 4.46Å; M318-L405 HydrophobicContact CE-CD1 4.25Å; M318-L405 HydrophobicContact CE-CD2 4.12Å; M318-L405 HydrophobicContact CE-CG 4.35Å; M318-L405 HydrophobicContact SD-CD1 3.79Å; M318-L405 HydrophobicContact SD-CD2 4.23Å; M318-L405 HydrophobicContact SD-CG 4.44Å; K398-L405 HydrophobicContact CD-CD1 4.1Å; K398-L405 HydrophobicContact CG-CD1 3.83Å; F399-L405 HydrophobicContact CD1-CB 3.91Å; F399-L405 HydrophobicContact CD2-CD1 4.48Å; F399-L405 HydrophobicContact CE1-CB 3.8Å; F399-L405 WeakPolarHBondContact CE1-O 3.39Å; F399-L405 HydrophobicContact CG-CB 4.36Å; F399-L405 HydrophobicContact CZ-CB 4.15Å; Y402-L405 HydrophobicContact CD2-CD1 4.46Å; Y402-L405 HydrophobicContact CG-CD1 4.44Å; Y402-L405 WeakPolarHBondContact O-CB 3.43Å; Y402-L405 WeakPolarHBondContact O-CG 3.21Å; Y402-L405 PolarHBondContact O-N 3.47Å; P403-L405 PolarHBondContact O-N 2.92Å; L405-L408 HydrophobicContact CD2-CD2 4.34Å; L405-L409 WeakPolarHBondContact O-CB 3.25Å; L405-L409 PolarHBondContact O-N 3.33Å
406K88.8Confident88Confident81 Ų8147.9 Ų47.935%0.35225%0.253SS..Hα-helixtrans-66.1-45.1173.1-62.1174.4-177.3173.20109.8F399 P403 E404 L409 L410 L480F399-K406 HydrophobicContact CD1-CG 3.84Å; P403-K406 WeakPolarHBondContact O-CB 3.34Å; P403-K406 WeakPolarHBondContact O-CG 3.48Å; P403-K406 PolarHBondContact O-N 3.38Å; E404-K406 PolarHBondContact O-N 2.99Å; K406-L409 PolarHBondContact O-N 3.36Å; K406-L410 WeakPolarHBondContact O-CB 3.32Å; K406-L410 VanDerWaalsContact O-CD1 3.3Å; K406-L410 WeakPolarHBondContact O-CD1 3.5Å; K406-L410 WeakPolarHBondContact O-CG 3.38Å; K406-L410 PolarHBondContact O-N 3.28Å; K406-L480 HydrophobicContact CB-CD1 4.42Å; K406-L480 HydrophobicContact CB-CD2 4.47Å; K406-L480 HydrophobicContact CD-CD2 4.15Å; K406-L480 HydrophobicContact CG-CD2 4.17Å
407D84.7Confident88.1Confident101 Ų10144.7 Ų44.754%0.5424%0.236SC..Hα-helixtrans-64.4-44.9177-60.3-31000110.6E404 L409 L410 L411E404-D407 PolarHBondContact O-N 2.67Å; D407-L409 VanDerWaalsContact C-N 3.33Å; D407-L409 PolarHBondContact O-N 2.86Å; D407-L410 WeakPolarHBondContact O-CB 3.21Å; D407-L410 PolarHBondContact O-N 3.08Å; D407-L411 WeakPolarHBondContact O-CG 3.41Å; D407-L411 PolarHBondContact O-N 2.93Å
408L88.2Confident88.2Confident37 Ų3742.5 Ų42.519%0.19423%0.225CC..Hα-helixtrans-59.9-41.7174.7-172.662.9000112.3F309 A311 L312 E404 L405 L410 L411 T412F309-L408 HydrophobicContact CD1-CD1 3.91Å; F309-L408 HydrophobicContact CD1-CG 4.18Å; F309-L408 HydrophobicContact CE1-CD1 3.97Å; A311-L408 HydrophobicContact CB-CD2 3.98Å; L312-L408 HydrophobicContact CD1-CG 4.22Å; L312-L408 HydrophobicContact CD2-CB 4.21Å; L312-L408 HydrophobicContact CD2-CD2 4.04Å; L312-L408 HydrophobicContact CD2-CG 4.12Å; L312-L408 HydrophobicContact CG-CD2 3.9Å; L312-L408 HydrophobicContact CG-CG 4.07Å; E404-L408 PolarHBondContact O-N 2.8Å; L405-L408 HydrophobicContact CD2-CD2 4.34Å; L408-L410 VanDerWaalsContact C-N 3.29Å; L408-L410 PolarHBondContact O-N 3.32Å; L408-L411 HydrophobicContact CD1-CD1 4.46Å; L408-L411 PolarHBondContact O-N 2.83Å; L408-T412 PolarHBondContact O-N 2.83Å
409L89.6Confident88.1Confident0 Ų042.8 Ų42.80%023%0.226CC..Hα-helixtrans-66-31.9175.3-177.362.5000111.8L312 F399 L405 K406 D407 T412 L417 L473 I476 R477L312-L409 HydrophobicContact CD1-CB 4.49Å; L312-L409 HydrophobicContact CD1-CD1 4.19Å; L312-L409 HydrophobicContact CD2-CB 4.01Å; F399-L409 HydrophobicContact CE1-CB 3.94Å; F399-L409 HydrophobicContact CE1-CD2 3.57Å; F399-L409 HydrophobicContact CE1-CG 4.36Å; F399-L409 HydrophobicContact CZ-CB 4.32Å; F399-L409 HydrophobicContact CZ-CD2 3.82Å; L405-L409 WeakPolarHBondContact O-CB 3.25Å; L405-L409 PolarHBondContact O-N 3.33Å; K406-L409 PolarHBondContact O-N 3.36Å; D407-L409 VanDerWaalsContact C-N 3.33Å; D407-L409 PolarHBondContact O-N 2.86Å; L409-T412 WeakPolarHBondContact O-CB 3.33Å; L409-T412 PolarHBondContact O-OG1 3.17Å; L409-L417 HydrophobicContact CD1-CD1 3.6Å; L409-L473 HydrophobicContact CD1-CB 4.11Å; L409-I476 HydrophobicContact CD2-CB 4.23Å; L409-I476 HydrophobicContact CD2-CG2 3.89Å; L409-R477 HydrophobicContact CD1-CB 4.24Å; L409-R477 HydrophobicContact CD2-CB 3.9Å; L409-R477 HydrophobicContact CG-CB 3.87Å; L409-R477 HydrophobicContact CG-CG 4.14Å; L409-R477 WeakPolarHBondContact O-CD 2.84Å
410L85.2Confident87.9Confident31 Ų3143.2 Ų43.216%0.16223%0.228CC..Hα-helixtrans-74.9-36.5176.4-70.4160.4000112.6K406 D407 L408 T412 G413 L480 I484 R488K406-L410 WeakPolarHBondContact O-CB 3.32Å; K406-L410 VanDerWaalsContact O-CD1 3.3Å; K406-L410 WeakPolarHBondContact O-CD1 3.5Å; K406-L410 WeakPolarHBondContact O-CG 3.38Å; K406-L410 PolarHBondContact O-N 3.28Å; D407-L410 WeakPolarHBondContact O-CB 3.21Å; D407-L410 PolarHBondContact O-N 3.08Å; L408-L410 VanDerWaalsContact C-N 3.29Å; L408-L410 PolarHBondContact O-N 3.32Å; L410-T412 PolarHBondContact O-N 3.19Å; L410-G413 PolarHBondContact O-N 3.41Å; L410-L480 HydrophobicContact CD1-CD1 4.1Å; L410-L480 HydrophobicContact CD2-CD1 3.76Å; L410-L480 HydrophobicContact CG-CD1 3.8Å; L410-I484 HydrophobicContact CD1-CB 4.46Å; L410-I484 HydrophobicContact CD1-CD1 3.78Å; L410-I484 HydrophobicContact CD1-CG2 3.33Å; L410-I484 HydrophobicContact CD2-CG2 3.33Å; L410-I484 HydrophobicContact CG-CG2 3.85Å; L410-R488 PolarHBondContact O-NH2 3.38Å
411L84.2Confident87.4Confident125 Ų12541.1 Ų41.165%0.65421%0.208SC*.Hα-helixtrans-59.4-23173.6-73174.4000112.9D407 L408 G413D407-L411 WeakPolarHBondContact O-CG 3.41Å; D407-L411 PolarHBondContact O-N 2.93Å; L408-L411 HydrophobicContact CD1-CD1 4.46Å; L408-L411 PolarHBondContact O-N 2.83Å; L411-G413 PolarHBondContact O-N 3.4Å; L411-G413 VanDerWaalsContact O-N 3.12Å
412T85.5Confident86.6Confident0 Ų039.1 Ų39.10%020%0.201CC..THydrogen-bonded Turntrans-63.1-14.7172.4710000113.2L303 F309 L312 L408 L409 L410 R415 L417 R477L303-T412 HydrophobicContact CD2-CG2 3.67Å; F309-T412 HydrophobicContact CD1-CG2 3.77Å; F309-T412 HydrophobicContact CE1-CG2 3.73Å; L312-T412 HydrophobicContact CD1-CG2 3.77Å; L408-T412 PolarHBondContact O-N 2.83Å; L409-T412 WeakPolarHBondContact O-CB 3.33Å; L409-T412 PolarHBondContact O-OG1 3.17Å; L410-T412 PolarHBondContact O-N 3.19Å; T412-R415 WeakPolarHBondContact O-CB 3.47Å; T412-R415 WeakPolarHBondContact O-CG 3.44Å; T412-R415 PolarHBondContact O-NE 3.02Å; T412-L417 HydrophobicContact CG2-CD2 3.74Å; T412-R477 WeakPolarHBondContact OG1-CD 3.2Å; T412-R477 PolarHBondContact OG1-NH1 3.1Å
413G79.9Confident85.4Confident23 Ų2342 Ų4224%0.23721%0.214CC..THydrogen-bonded Turntrans69.2-143.2-177.900000111.3L410 L411 R477 R488L410-G413 PolarHBondContact O-N 3.41Å; L411-G413 PolarHBondContact O-N 3.4Å; L411-G413 VanDerWaalsContact O-N 3.12Å; G413-R477 WeakPolarHBondContact O-CD 3.5Å; G413-R477 PolarHBondContact O-NE 3.04Å; G413-R477 PolarHBondContact O-NH1 3.32Å; G413-R488 VanDerWaalsContact C-NH2 3.34Å; G413-R488 PolarHBondContact O-NH1 2.58Å; G413-R488 PolarHBondContact O-NH2 2.9Å
414D78.9Confident84.7Confident37 Ų3740.1 Ų40.120%0.19820%0.201CC..THydrogen-bonded Turntrans-94.71.917467.2-19.7000113.4N299 R477 R494N299-D414 VanDerWaalsContact CB-O 3.3Å; N299-D414 WeakPolarHBondContact CB-O 3.5Å; N299-D414 VanDerWaalsContact ND2-CG 3.26Å; N299-D414 PolarHBondContact ND2-OD1 3.3Å; N299-D414 PolarHBondContact ND2-OD2 3.14Å; D414-R477 PolarHBondContact O-NH2 3.18Å; D414-R494 IonicContact OD2-CZ 3.74Å; D414-R494 IonicContact OD2-NE 3.72Å; D414-R494 IonicContact OD2-NH2 3.67Å; D414-R494 PolarHBondContact OD2-NH2 2.59Å
415R87.2Confident84.3Confident90 Ų9037.6 Ų37.634%0.3419%0.191SC..PPolyproline II helixtrans-53147.9177.4-63.9-174.2-97.5-166.7-12.2112.5S301 L303 T412 L417 R477S301-R415 CarbonylContact O-C 3.52Å; S301-R415 VanDerWaalsContact O-CA 3.32Å; S301-R415 WeakPolarHBondContact O-CA 3.31Å; S301-R415 WeakPolarHBondContact O-CB 3.26Å; L303-R415 HydrophobicContact CB-CB 4.06Å; T412-R415 WeakPolarHBondContact O-CB 3.47Å; T412-R415 WeakPolarHBondContact O-CG 3.44Å; T412-R415 PolarHBondContact O-NE 3.02Å; R415-L417 PolarHBondContact O-N 2.8Å; R415-R477 VanDerWaalsContact O-CZ 3.29Å; R415-R477 PolarHBondContact O-NH1 3.16Å; R415-R477 PolarHBondContact O-NH2 2.86Å
416T91.1Very high83.6Confident0 Ų041 Ų410%021%0.209CC..EExtended strand (participates in β ladder)trans-81.5116.8178.3-680000110.1I298 N299 S301 F302 L303 L418 M454 M474I298-T416 HydrophobicContact CG2-CG2 3.87Å; I298-T416 VanDerWaalsContact CG2-OG1 3.23Å; I298-T416 WeakPolarHBondContact CG2-OG1 3.28Å; N299-T416 PolarHBondContact N-OG1 2.88Å; N299-T416 WeakPolarHBondContact O-CB 3.36Å; N299-T416 PolarHBondContact O-OG1 2.91Å; S301-T416 PolarHBondContact O-N 3.24Å; F302-T416 CarbonylContact C-O 3.55Å; F302-T416 WeakPolarHBondContact CA-O 3.27Å; F302-T416 HydrophobicContact CD1-CG2 3.76Å; F302-T416 HydrophobicContact CE1-CG2 3.94Å; L303-T416 PolarHBondContact N-O 3.43Å; T416-L418 HydrophobicContact CG2-CD2 4.03Å; T416-M454 HydrophobicContact CG2-SD 4.45Å; T416-M474 HydrophobicContact CG2-CE 4.07Å; T416-M474 HydrophobicContact CG2-SD 4.27Å
417L93.5Very high83.3Confident0 Ų038.6 Ų38.60%020%0.198CC..EExtended strand (participates in β ladder)trans-79.6126.9-174.4-53.2-178.4000110.2L303 L305 L409 T412 R415 N467 G470 L473 M474L303-L417 HydrophobicContact CB-CD2 4.3Å; L303-L417 HydrophobicContact CD2-CD2 3.84Å; L305-L417 HydrophobicContact CD1-CB 4.49Å; L305-L417 HydrophobicContact CD2-CB 4.21Å; L305-L417 HydrophobicContact CD2-CD2 4.32Å; L305-L417 HydrophobicContact CG-CB 4.46Å; L409-L417 HydrophobicContact CD1-CD1 3.6Å; T412-L417 HydrophobicContact CG2-CD2 3.74Å; R415-L417 PolarHBondContact O-N 2.8Å; L417-N467 PolarHBondContact O-ND2 2.86Å; L417-G470 VanDerWaalsContact O-CA 3.27Å; L417-G470 WeakPolarHBondContact O-CA 3.46Å; L417-L473 HydrophobicContact CD1-CB 3.65Å; L417-M474 HydrophobicContact CB-CG 4.24Å; L417-M474 HydrophobicContact CD1-CG 3.97Å; L417-M474 HydrophobicContact CG-CG 3.83Å
418L93.6Very high83.4Confident0 Ų033.8 Ų33.80%017%0.172CC..EExtended strand (participates in β ladder)trans-116.8119.8179.9-57.7-169000110.6F302 L303 P304 L305 T416 M420 V429 W433 F436 M454 N467F302-L418 HydrophobicContact CB-CD1 3.67Å; F302-L418 HydrophobicContact CB-CG 4.12Å; F302-L418 HydrophobicContact CD1-CD1 4.14Å; F302-L418 HydrophobicContact CD1-CD2 4.21Å; F302-L418 HydrophobicContact CD1-CG 4.33Å; F302-L418 HydrophobicContact CD2-CD1 4.36Å; F302-L418 HydrophobicContact CG-CD1 3.81Å; F302-L418 HydrophobicContact CG-CG 4.38Å; L303-L418 PolarHBondContact O-N 3.19Å; P304-L418 CarbonylContact C-O 3.54Å; P304-L418 WeakPolarHBondContact CA-O 3.17Å; L305-L418 WeakPolarHBondContact CG-O 3.26Å; L305-L418 PolarHBondContact N-O 2.96Å; T416-L418 HydrophobicContact CG2-CD2 4.03Å; L418-M420 HydrophobicContact CB-SD 3.64Å; L418-M420 HydrophobicContact CD1-SD 4.38Å; L418-V429 HydrophobicContact CB-CG2 3.94Å; L418-V429 HydrophobicContact CD1-CG2 4.34Å; L418-V429 HydrophobicContact CD2-CG2 4.11Å; L418-V429 HydrophobicContact CG-CG2 4.35Å; L418-W433 HydrophobicContact CD1-CZ3 4.14Å; L418-F436 HydrophobicContact CD1-CD1 4.29Å; L418-F436 HydrophobicContact CD1-CE1 3.75Å; L418-F436 HydrophobicContact CD1-CZ 4.02Å; L418-M454 HydrophobicContact CD2-CE 3.38Å; L418-M454 HydrophobicContact CD2-SD 4.16Å; L418-N467 VanDerWaalsContact CD2-ND2 3.3Å; L418-N467 WeakPolarHBondContact CD2-ND2 3.33Å
419E91.3Very high83.3Confident8 Ų832 Ų324%0.03716%0.163CC..  trans-80.4121.9168-177.977.5-152.400108.7L305 S313 T315 S428 V429 N467 N469L305-E419 HydrophobicContact CD1-CB 4.45Å; S313-E419 WeakPolarHBondContact CB-OE1 3.37Å; S313-E419 WeakPolarHBondContact CB-OE2 3.41Å; S313-E419 PolarHBondContact OG-OE1 2.85Å; S313-E419 PolarHBondContact OG-OE2 3.26Å; S313-E419 VanDerWaalsContact OG-OE2 3.09Å; T315-E419 PolarHBondContact OG1-OE1 2.63Å; E419-S428 WeakPolarHBondContact O-CA 3.49Å; E419-S428 WeakPolarHBondContact O-CB 3.33Å; E419-V429 PolarHBondContact O-N 3Å; E419-N467 PolarHBondContact N-OD1 2.98Å; E419-N469 HydrophobicContact CB-CB 4.14Å; E419-N469 HydrophobicContact CG-CB 4.35Å; E419-N469 PolarHBondContact OE2-ND2 3.44Å
420M86.2Confident83Confident13 Ų1332 Ų326%0.06416%0.163CC..  trans-104.995.3-174.8-52.3-51.9-60.100109.9P304 E306 L418 V429 M431 S432 W433 F436P304-M420 HydrophobicContact CB-CG 3.6Å; P304-M420 HydrophobicContact CB-SD 4.24Å; E306-M420 HydrophobicContact CG-CB 4.21Å; E306-M420 HydrophobicContact CG-CG 4.34Å; L418-M420 HydrophobicContact CB-SD 3.64Å; L418-M420 HydrophobicContact CD1-SD 4.38Å; M420-V429 HydrophobicContact CE-CB 4.39Å; M420-V429 HydrophobicContact CE-CG1 4.49Å; M420-V429 HydrophobicContact SD-CB 4.36Å; M420-V429 HydrophobicContact SD-CG2 4.15Å; M420-M431 WeakPolarHBondContact CE-O 3.25Å; M420-S432 VanDerWaalsContact CE-C 3.43Å; M420-S432 WeakPolarHBondContact CE-O 2.87Å; M420-W433 VanDerWaalsContact CE-CA 3.47Å; M420-W433 HydrophobicContact CE-CB 4.2Å; M420-W433 HydrophobicContact CE-CE3 4.12Å; M420-W433 HydrophobicContact CG-CB 4.42Å; M420-W433 HydrophobicContact SD-CE3 4.29Å; M420-F436 HydrophobicContact CE-CB 3.83Å; M420-F436 HydrophobicContact CE-CG 4.32Å
421N79.3Confident82.9Confident22 Ų2231 Ų3112%0.11816%0.157CC..  trans-143.4106.6177.2-178.53000110.8F423 D424 S428 G430N421-F423 PolarHBondContact O-N 3.24Å; N421-F423 PolarHBondContact OD1-N 2.61Å; N421-F423 VanDerWaalsContact OD1-N 3.16Å; N421-D424 HydrophobicContact CB-CB 4.3Å; N421-D424 PolarHBondContact O-N 3.46Å; N421-S428 WeakPolarHBondContact CB-OG 3.35Å; N421-S428 PolarHBondContact N-OG 2.86Å; N421-S428 PolarHBondContact O-OG 3.45Å; N421-G430 WeakPolarHBondContact O-CA 3.49Å
422S75.3Confident82.9Confident20 Ų2026.3 Ų26.314%0.1414%0.135CC..THydrogen-bonded Turntrans-58.1-15.5-178.8-42.20000114.6S432S422-S432 PolarHBondContact OG-N 2.9Å
423F66Low83Confident114 Ų11429.5 Ų29.550%0.515%0.147SC..THydrogen-bonded Turntrans-102.47.3-178.6-53.4-76.3000113.9N421 L1201N421-F423 PolarHBondContact O-N 3.24Å; N421-F423 PolarHBondContact OD1-N 2.61Å; N421-F423 VanDerWaalsContact OD1-N 3.16Å; F423-L1201 HydrophobicContact CZ-CD2 3.98Å
424D73Confident83.2Confident31 Ų3132.2 Ų32.217%0.16616%0.159CC..  trans-139.6102.1-175.7-170.6-16.8000112N421 D426 W427 S428 G430N421-D424 HydrophobicContact CB-CB 4.3Å; N421-D424 PolarHBondContact O-N 3.46Å; D424-D426 PolarHBondContact OD1-N 2.95Å; D424-W427 PolarHBondContact OD1-N 2.79Å; D424-W427 WeakPolarHBondContact OD2-CB 3.47Å; D424-S428 CarbonylContact O-C 3.58Å; D424-S428 WeakPolarHBondContact O-CA 3.28Å; D424-S428 VanDerWaalsContact O-CB 3.22Å; D424-S428 WeakPolarHBondContact O-CB 3.45Å; D424-S428 PolarHBondContact O-N 3.37Å; D424-S428 PolarHBondContact O-OG 3.05Å; D424-G430 PolarHBondContact O-N 3.47Å
425N78.1Confident83.3Confident53 Ų5332.3 Ų32.328%0.28317%0.165SC..THydrogen-bonded Turntrans-88.2-6179-65.5-25.2000113.4G430 G465 A466N425-G430 WeakPolarHBondContact OD1-CA 3.38Å; N425-G465 CarbonylContact O-C 3.59Å; N425-G465 WeakPolarHBondContact O-CA 3.36Å; N425-A466 PolarHBondContact O-N 3.17Å
426D76.1Confident83.3Confident76 Ų7628 Ų2841%0.40615%0.149SC..THydrogen-bonded Turntrans-96.9-51.1-178-71.4-25.3000110.4D424 A466 L468D424-D426 PolarHBondContact OD1-N 2.95Å; D426-A466 WeakPolarHBondContact O-CB 3.32Å; D426-L468 WeakPolarHBondContact O-CB 3.41Å; D426-L468 WeakPolarHBondContact O-CD1 3.11Å; D426-L468 VanDerWaalsContact O-CG 3.28Å; D426-L468 WeakPolarHBondContact O-CG 3.41Å; D426-L468 PolarHBondContact O-N 3.02Å
427W82.8Confident83.1Confident29 Ų2932.2 Ų32.211%0.1117%0.167CC..THydrogen-bonded Turntrans-94.8-16.2-176.3-59.292.9000113.1M387 Y388 L391 D424 N467 L468 N469M387-W427 HydrophobicContact CB-CZ2 4.13Å; M387-W427 HydrophobicContact CE-CZ2 4.07Å; M387-W427 HydrophobicContact CG-CH2 4.02Å; M387-W427 HydrophobicContact CG-CZ2 3.2Å; M387-W427 HydrophobicContact SD-CZ2 4.43Å; Y388-W427 HydrophobicContact CD2-CH2 4.08Å; Y388-W427 HydrophobicContact CD2-CZ3 4.07Å; L391-W427 HydrophobicContact CB-CZ3 4.45Å; L391-W427 HydrophobicContact CD2-CD2 3.71Å; L391-W427 HydrophobicContact CD2-CE3 3.1Å; L391-W427 HydrophobicContact CD2-CH2 3.96Å; L391-W427 HydrophobicContact CD2-CZ2 4.47Å; L391-W427 HydrophobicContact CD2-CZ3 3.23Å; L391-W427 HydrophobicContact CG-CZ3 4.44Å; D424-W427 PolarHBondContact OD1-N 2.79Å; D424-W427 WeakPolarHBondContact OD2-CB 3.47Å; W427-N467 CarbonylContact O-C 3.55Å; W427-L468 HydrophobicContact CD2-CB 4.2Å; W427-L468 HydrophobicContact CE3-CB 3.42Å; W427-L468 VanDerWaalsContact CE3-CB 3.42Å; W427-L468 HydrophobicContact CE3-CD1 4.34Å; W427-L468 HydrophobicContact CH2-CB 4.23Å; W427-L468 HydrophobicContact CH2-CD1 3.94Å; W427-L468 HydrophobicContact CZ2-CD1 4.16Å; W427-L468 HydrophobicContact CZ3-CB 3.47Å; W427-L468 VanDerWaalsContact CZ3-CB 3.47Å; W427-L468 HydrophobicContact CZ3-CD1 4.05Å; W427-L468 HydrophobicContact CZ3-CG 4.4Å; W427-L468 PolarHBondContact O-N 3.39Å; W427-N469 HydrophobicContact CB-CB 4.37Å; W427-N469 WeakPolarHBondContact O-CB 3.46Å; W427-N469 PolarHBondContact O-N 3.07Å
428S86.8Confident82.6Confident0 Ų037.8 Ų37.80%019%0.193CC..SBendtrans-122.5176.5-178.7109.30000112.3E419 N421 D424 G430 G465 A466 N467E419-S428 WeakPolarHBondContact O-CA 3.49Å; E419-S428 WeakPolarHBondContact O-CB 3.33Å; N421-S428 WeakPolarHBondContact CB-OG 3.35Å; N421-S428 PolarHBondContact N-OG 2.86Å; N421-S428 PolarHBondContact O-OG 3.45Å; D424-S428 CarbonylContact O-C 3.58Å; D424-S428 WeakPolarHBondContact O-CA 3.28Å; D424-S428 VanDerWaalsContact O-CB 3.22Å; D424-S428 WeakPolarHBondContact O-CB 3.45Å; D424-S428 PolarHBondContact O-N 3.37Å; D424-S428 PolarHBondContact O-OG 3.05Å; S428-G430 PolarHBondContact O-N 3.1Å; S428-G430 PolarHBondContact OG-N 3.4Å; S428-G465 CarbonylContact O-C 3.39Å; S428-G465 VanDerWaalsContact O-C 3.29Å; S428-G465 VanDerWaalsContact O-CA 3.31Å; S428-G465 WeakPolarHBondContact O-CA 3.43Å; S428-A466 PolarHBondContact O-N 3.11Å; S428-N467 PolarHBondContact O-N 3.02Å
429V85.4Confident82.2Confident0 Ų038.5 Ų38.50%020%0.196CC..  trans-70.6-14.5173.3-178.70000111.8L418 E419 M420 M431 F436 M454 L464 G465 N467L418-V429 HydrophobicContact CB-CG2 3.94Å; L418-V429 HydrophobicContact CD1-CG2 4.34Å; L418-V429 HydrophobicContact CD2-CG2 4.11Å; L418-V429 HydrophobicContact CG-CG2 4.35Å; E419-V429 PolarHBondContact O-N 3Å; M420-V429 HydrophobicContact CE-CB 4.39Å; M420-V429 HydrophobicContact CE-CG1 4.49Å; M420-V429 HydrophobicContact SD-CB 4.36Å; M420-V429 HydrophobicContact SD-CG2 4.15Å; V429-M431 HydrophobicContact CG1-CG 3.87Å; V429-M431 HydrophobicContact CG1-SD 4.35Å; V429-F436 HydrophobicContact CG1-CD2 3.42Å; V429-F436 VanDerWaalsContact CG1-CD2 3.42Å; V429-F436 HydrophobicContact CG1-CE2 3.7Å; V429-F436 HydrophobicContact CG1-CG 4.22Å; V429-M454 HydrophobicContact CG2-CE 4.35Å; V429-L464 HydrophobicContact CG1-CD1 3.64Å; V429-G465 WeakPolarHBondContact O-CA 3.41Å; V429-G465 PolarHBondContact O-N 3.24Å; V429-N467 HydrophobicContact CG2-CB 3.93Å
430G83.4Confident82.1Confident1 Ų139.3 Ų39.31%0.0120%0.2CC..SBendtrans82.912.2175.500000114.8N421 D424 N425 S428 Q1251N421-G430 WeakPolarHBondContact O-CA 3.49Å; D424-G430 PolarHBondContact O-N 3.47Å; N425-G430 WeakPolarHBondContact OD1-CA 3.38Å; S428-G430 PolarHBondContact O-N 3.1Å; S428-G430 PolarHBondContact OG-N 3.4Å; G430-Q1251 PolarHBondContact O-NE2 2.9Å
431M83.4Confident81.9Confident8 Ų845.7 Ų45.74%0.03923%0.229CC..SBendtrans-156.2166.4-178.457.3-17375.500110.9M420 V429 A435 F436 W439 I463M420-M431 WeakPolarHBondContact CE-O 3.25Å; V429-M431 HydrophobicContact CG1-CG 3.87Å; V429-M431 HydrophobicContact CG1-SD 4.35Å; M431-A435 HydrophobicContact CB-CB 4.14Å; M431-F436 HydrophobicContact CG-CB 3.87Å; M431-F436 HydrophobicContact CG-CD2 4.31Å; M431-F436 WeakPolarHBondContact SD-CA 2.99Å; M431-F436 HydrophobicContact SD-CB 3.68Å; M431-F436 HydrophobicContact SD-CD2 3.67Å; M431-F436 HydrophobicContact SD-CG 4.17Å; M431-W439 HydrophobicContact SD-CE3 4.48Å; M431-I463 HydrophobicContact CE-CG1 4.1Å; M431-I463 WeakPolarHBondContact CE-O 3.47Å
432S84.7Confident81.9Confident27 Ų2751.1 Ų51.119%0.18925%0.248CC..  trans-74.8164.2173.774.10000111.6M420 S422 V434 A435 F436M420-S432 VanDerWaalsContact CE-C 3.43Å; M420-S432 WeakPolarHBondContact CE-O 2.87Å; S422-S432 PolarHBondContact OG-N 2.9Å; S432-V434 PolarHBondContact O-N 2.99Å; S432-A435 PolarHBondContact O-N 2.9Å; S432-A435 WeakPolarHBondContact OG-CB 3.38Å; S432-A435 PolarHBondContact OG-N 2.8Å; S432-F436 WeakPolarHBondContact O-CB 3.1Å; S432-F436 PolarHBondContact O-N 2.97Å
433W87.7Confident82.1Confident68 Ų6852.7 Ų52.726%0.25825%0.253SS..Hα-helixtrans-62.7-34179.9176.8-122.9000112.8F302 P304 L418 M420 F436 K437F302-W433 HydrophobicContact CB-CH2 4.3Å; F302-W433 HydrophobicContact CB-CZ3 4.39Å; P304-W433 HydrophobicContact CB-CD2 4.13Å; P304-W433 HydrophobicContact CB-CE3 4.04Å; P304-W433 HydrophobicContact CB-CG 4.35Å; P304-W433 HydrophobicContact CG-CD2 3.89Å; P304-W433 HydrophobicContact CG-CE3 4.12Å; P304-W433 HydrophobicContact CG-CG 4.19Å; L418-W433 HydrophobicContact CD1-CZ3 4.14Å; M420-W433 VanDerWaalsContact CE-CA 3.47Å; M420-W433 HydrophobicContact CE-CB 4.2Å; M420-W433 HydrophobicContact CE-CE3 4.12Å; M420-W433 HydrophobicContact CG-CB 4.42Å; M420-W433 HydrophobicContact SD-CE3 4.29Å; W433-F436 HydrophobicContact CE3-CD1 4.02Å; W433-F436 AromaticContact CZ3-CD1 3.7Å; W433-F436 HydrophobicContact CZ3-CD1 3.7Å; W433-F436 HydrophobicContact CZ3-CE1 4.08Å; W433-K437 HydrophobicContact CD2-CD 4.39Å; W433-K437 HydrophobicContact CD2-CG 4.36Å; W433-K437 HydrophobicContact CH2-CD 4.43Å; W433-K437 HydrophobicContact CH2-CG 4.26Å; W433-K437 HydrophobicContact CZ2-CD 3.74Å; W433-K437 HydrophobicContact CZ2-CG 4.04Å; W433-K437 WeakPolarHBondContact O-CG 3.37Å; W433-K437 PolarHBondContact O-N 3.11Å
434V83.4Confident82.7Confident80 Ų8057.4 Ų57.449%0.48527%0.268SS..Hα-helixtrans-67.4-52.4176.1-179.40000110S432 F436 K437 E438S432-V434 PolarHBondContact O-N 2.99Å; V434-F436 VanDerWaalsContact C-N 3.29Å; V434-F436 PolarHBondContact O-N 3.34Å; V434-K437 PolarHBondContact O-N 3.45Å; V434-E438 HydrophobicContact CG1-CG 4.45Å; V434-E438 WeakPolarHBondContact O-CG 3.5Å; V434-E438 PolarHBondContact O-N 3.34Å
435A81.3Confident83.2Confident38 Ų3856.4 Ų56.431%0.31426%0.263SS..Hα-helixtrans-60.2-37.7179.400000112.5M431 S432 W439M431-A435 HydrophobicContact CB-CB 4.14Å; S432-A435 PolarHBondContact O-N 2.9Å; S432-A435 WeakPolarHBondContact OG-CB 3.38Å; S432-A435 PolarHBondContact OG-N 2.8Å; A435-W439 WeakPolarHBondContact O-CB 3.19Å; A435-W439 PolarHBondContact O-N 3.24Å
436F86.8Confident83.6Confident1 Ų155.5 Ų55.50%0.00426%0.259CS..Hα-helixtrans-62.2-46176-178.5-106.1000113F302 L418 M420 V429 M431 S432 W433 V434 W439 M440 V450 L464F302-F436 AromaticContact CD2-CE1 3.89Å; F302-F436 HydrophobicContact CD2-CE1 3.89Å; F302-F436 HydrophobicContact CD2-CZ 4.26Å; F302-F436 HydrophobicContact CE2-CE1 4.25Å; F302-F436 HydrophobicContact CE2-CZ 4.21Å; L418-F436 HydrophobicContact CD1-CD1 4.29Å; L418-F436 HydrophobicContact CD1-CE1 3.75Å; L418-F436 HydrophobicContact CD1-CZ 4.02Å; M420-F436 HydrophobicContact CE-CB 3.83Å; M420-F436 HydrophobicContact CE-CG 4.32Å; V429-F436 HydrophobicContact CG1-CD2 3.42Å; V429-F436 VanDerWaalsContact CG1-CD2 3.42Å; V429-F436 HydrophobicContact CG1-CE2 3.7Å; V429-F436 HydrophobicContact CG1-CG 4.22Å; M431-F436 HydrophobicContact CG-CB 3.87Å; M431-F436 HydrophobicContact CG-CD2 4.31Å; M431-F436 WeakPolarHBondContact SD-CA 2.99Å; M431-F436 HydrophobicContact SD-CB 3.68Å; M431-F436 HydrophobicContact SD-CD2 3.67Å; M431-F436 HydrophobicContact SD-CG 4.17Å; S432-F436 WeakPolarHBondContact O-CB 3.1Å; S432-F436 PolarHBondContact O-N 2.97Å; W433-F436 HydrophobicContact CE3-CD1 4.02Å; W433-F436 AromaticContact CZ3-CD1 3.7Å; W433-F436 HydrophobicContact CZ3-CD1 3.7Å; W433-F436 HydrophobicContact CZ3-CE1 4.08Å; V434-F436 VanDerWaalsContact C-N 3.29Å; V434-F436 PolarHBondContact O-N 3.34Å; F436-W439 HydrophobicContact CD2-CE3 4.19Å; F436-W439 HydrophobicContact CD2-CZ3 4.38Å; F436-W439 HydrophobicContact CE2-CE3 4.3Å; F436-W439 HydrophobicContact CE2-CZ3 4.06Å; F436-M440 HydrophobicContact CD1-SD 4.02Å; F436-M440 HydrophobicContact CE1-CG 4.32Å; F436-M440 HydrophobicContact CE1-SD 3.32Å; F436-M440 WeakPolarHBondContact CE1-SD 3.47Å; F436-M440 HydrophobicContact CE2-CG 4.38Å; F436-M440 HydrophobicContact CE2-SD 4.18Å; F436-M440 HydrophobicContact CZ-CG 4.18Å; F436-M440 HydrophobicContact CZ-SD 3.41Å; F436-M440 WeakPolarHBondContact CZ-SD 3.28Å; F436-M440 WeakPolarHBondContact O-CB 3.42Å; F436-M440 WeakPolarHBondContact O-CG 3.35Å; F436-M440 PolarHBondContact O-N 3.49Å; F436-V450 HydrophobicContact CE2-CG1 4.37Å; F436-V450 HydrophobicContact CZ-CG1 4Å; F436-V450 HydrophobicContact CZ-CG2 4.19Å; F436-L464 HydrophobicContact CD2-CD1 4.36Å; F436-L464 HydrophobicContact CE2-CD1 3.82Å
437K87.7Confident84.2Confident87 Ų8754.1 Ų54.138%0.37825%0.254SS..Hα-helixtrans-65.8-47177.2-71.9-174.6-67.5162.10111.6W433 V434 W439 M440 E441W433-K437 HydrophobicContact CD2-CD 4.39Å; W433-K437 HydrophobicContact CD2-CG 4.36Å; W433-K437 HydrophobicContact CH2-CD 4.43Å; W433-K437 HydrophobicContact CH2-CG 4.26Å; W433-K437 HydrophobicContact CZ2-CD 3.74Å; W433-K437 HydrophobicContact CZ2-CG 4.04Å; W433-K437 WeakPolarHBondContact O-CG 3.37Å; W433-K437 PolarHBondContact O-N 3.11Å; V434-K437 PolarHBondContact O-N 3.45Å; K437-W439 VanDerWaalsContact C-N 3.31Å; K437-W439 PolarHBondContact O-N 3.01Å; K437-M440 PolarHBondContact O-N 3.04Å; K437-E441 WeakPolarHBondContact O-CB 3.45Å; K437-E441 WeakPolarHBondContact O-CG 3.41Å; K437-E441 PolarHBondContact O-N 2.73Å
438E82.1Confident84.4Confident117 Ų11753 Ų5355%0.54725%0.251SS..Hα-helixtrans-60.5-41.7178-72.2178.9174.100111.7V434 E441 R442V434-E438 HydrophobicContact CG1-CG 4.45Å; V434-E438 WeakPolarHBondContact O-CG 3.5Å; V434-E438 PolarHBondContact O-N 3.34Å; E438-E441 PolarHBondContact O-N 3.42Å; E438-R442 WeakPolarHBondContact O-CB 3.31Å; E438-R442 PolarHBondContact O-N 2.83Å
439W85.6Confident84.4Confident16 Ų1653.7 Ų53.76%0.06125%0.254CS..Hα-helixtrans-62.6-46.4174.8170.771.7000111.8M431 A435 F436 K437 E441 R442 E443 V445 V450 W453 P461 I463 L464M431-W439 HydrophobicContact SD-CE3 4.48Å; A435-W439 WeakPolarHBondContact O-CB 3.19Å; A435-W439 PolarHBondContact O-N 3.24Å; F436-W439 HydrophobicContact CD2-CE3 4.19Å; F436-W439 HydrophobicContact CD2-CZ3 4.38Å; F436-W439 HydrophobicContact CE2-CE3 4.3Å; F436-W439 HydrophobicContact CE2-CZ3 4.06Å; K437-W439 VanDerWaalsContact C-N 3.31Å; K437-W439 PolarHBondContact O-N 3.01Å; W439-E441 VanDerWaalsContact C-N 3.34Å; W439-E441 PolarHBondContact O-N 3.14Å; W439-R442 PolarHBondContact O-N 3.41Å; W439-E443 HydrophobicContact CG-CG 4.48Å; W439-E443 WeakPolarHBondContact O-CB 3.5Å; W439-E443 WeakPolarHBondContact O-CG 3.48Å; W439-E443 PolarHBondContact O-N 3.32Å; W439-V445 HydrophobicContact CH2-CG1 4.25Å; W439-V445 HydrophobicContact CH2-CG2 4.17Å; W439-V445 HydrophobicContact CZ2-CG2 4.14Å; W439-V445 HydrophobicContact CZ3-CG1 4.32Å; W439-V450 HydrophobicContact CZ3-CG2 4.47Å; W439-W453 HydrophobicContact CH2-CE3 4.25Å; W439-W453 AromaticContact CH2-CZ3 3.71Å; W439-W453 HydrophobicContact CH2-CZ3 3.71Å; W439-W453 HydrophobicContact CZ2-CZ3 4.24Å; W439-P461 HydrophobicContact CZ2-CG 4.47Å; W439-I463 HydrophobicContact CD2-CG2 4.48Å; W439-I463 HydrophobicContact CG-CD1 4.45Å; W439-I463 HydrophobicContact CZ2-CG2 3.61Å; W439-L464 HydrophobicContact CH2-CB 4.2Å; W439-L464 HydrophobicContact CH2-CD1 4.39Å; W439-L464 HydrophobicContact CH2-CD2 4.28Å; W439-L464 HydrophobicContact CZ3-CD1 4.15Å
440M88Confident84.7Confident24 Ų2453.7 Ų53.712%0.11825%0.254CS..Hα-helixtrans-60.2-43.7176.9-76.5-17370.100112.1F302 F436 K437 R444 V445 P447 V450F302-M440 HydrophobicContact CD2-SD 4.5Å; F302-M440 HydrophobicContact CE2-CE 4.07Å; F302-M440 HydrophobicContact CE2-SD 4.13Å; F436-M440 HydrophobicContact CD1-SD 4.02Å; F436-M440 HydrophobicContact CE1-CG 4.32Å; F436-M440 HydrophobicContact CE1-SD 3.32Å; F436-M440 WeakPolarHBondContact CE1-SD 3.47Å; F436-M440 HydrophobicContact CE2-CG 4.38Å; F436-M440 HydrophobicContact CE2-SD 4.18Å; F436-M440 HydrophobicContact CZ-CG 4.18Å; F436-M440 HydrophobicContact CZ-SD 3.41Å; F436-M440 WeakPolarHBondContact CZ-SD 3.28Å; F436-M440 WeakPolarHBondContact O-CB 3.42Å; F436-M440 WeakPolarHBondContact O-CG 3.35Å; F436-M440 PolarHBondContact O-N 3.49Å; K437-M440 PolarHBondContact O-N 3.04Å; M440-R444 CarbonylContact O-C 3.31Å; M440-R444 WeakPolarHBondContact O-CA 3.26Å; M440-R444 PolarHBondContact O-N 3.3Å; M440-V445 HydrophobicContact CB-CB 4.47Å; M440-V445 HydrophobicContact CE-CG1 4.48Å; M440-V445 VanDerWaalsContact CE-O 3.22Å; M440-V445 WeakPolarHBondContact CE-O 3.39Å; M440-V445 HydrophobicContact CG-CB 4.34Å; M440-V445 HydrophobicContact CG-CG1 4.41Å; M440-V445 PolarHBondContact O-N 3.39Å; M440-P447 HydrophobicContact CE-CG 4.19Å; M440-V450 HydrophobicContact CE-CG2 3.94Å; M440-V450 HydrophobicContact CG-CG2 4.49Å; M440-V450 HydrophobicContact SD-CG2 4.1Å
441E82.9Confident84.9Confident147 Ų14753.6 Ų53.669%0.68725%0.254SS*.Hα-helixtrans-66.3-48.7178.1-72.9173.6-170.600111.7K437 E438 W439 R444K437-E441 WeakPolarHBondContact O-CB 3.45Å; K437-E441 WeakPolarHBondContact O-CG 3.41Å; K437-E441 PolarHBondContact O-N 2.73Å; E438-E441 PolarHBondContact O-N 3.42Å; W439-E441 VanDerWaalsContact C-N 3.34Å; W439-E441 PolarHBondContact O-N 3.14Å; E441-R444 PolarHBondContact O-N 3.43Å
442R78.4Confident85.1Confident136 Ų13653.4 Ų53.451%0.51325%0.253SS..Hα-helixtrans-61.9-45.1-178.9-173.4179.275.7-161.90.6112.2E438 W439 R444 D1253E438-R442 WeakPolarHBondContact O-CB 3.31Å; E438-R442 PolarHBondContact O-N 2.83Å; W439-R442 PolarHBondContact O-N 3.41Å; R442-R444 VanDerWaalsContact C-N 3.34Å; R442-D1253 IonicContact CZ-OD2 3.24Å; R442-D1253 IonicContact NH1-OD2 2.71Å; R442-D1253 PolarHBondContact NH1-OD2 3.44Å; R442-D1253 VanDerWaalsContact NH1-OD2 3.11Å; R442-D1253 IonicContact NH2-OD2 3.56Å; R442-D1253 PolarHBondContact NH2-OD2 2.68Å
443E80.1Confident85.3Confident54 Ų5452.5 Ų52.525%0.25225%0.245SC..THydrogen-bonded Turntrans-89.92.5-178.2-58.6-55.3145.700113.4W439 V445W439-E443 HydrophobicContact CG-CG 4.48Å; W439-E443 WeakPolarHBondContact O-CB 3.5Å; W439-E443 WeakPolarHBondContact O-CG 3.48Å; W439-E443 PolarHBondContact O-N 3.32Å; E443-V445 HydrophobicContact CB-CG2 3.8Å; E443-V445 PolarHBondContact O-N 2.97Å
444R79.8Confident85.3Confident213 Ų21349.5 Ų49.580%0.80423%0.234SC*.THydrogen-bonded Turntrans52.939.2-177.2-57-179.4177.9175.6-0.8113.2M440 E441 R442M440-R444 CarbonylContact O-C 3.31Å; M440-R444 WeakPolarHBondContact O-CA 3.26Å; M440-R444 PolarHBondContact O-N 3.3Å; E441-R444 PolarHBondContact O-N 3.43Å; R442-R444 VanDerWaalsContact C-N 3.34Å
445V83.3Confident85.3Confident9 Ų947.1 Ų47.16%0.05522%0.219CC..  trans-80.9125.2179.6173.40000109.5W439 M440 E443 M449 V450 W453W439-V445 HydrophobicContact CH2-CG1 4.25Å; W439-V445 HydrophobicContact CH2-CG2 4.17Å; W439-V445 HydrophobicContact CZ2-CG2 4.14Å; W439-V445 HydrophobicContact CZ3-CG1 4.32Å; M440-V445 HydrophobicContact CB-CB 4.47Å; M440-V445 HydrophobicContact CE-CG1 4.48Å; M440-V445 VanDerWaalsContact CE-O 3.22Å; M440-V445 WeakPolarHBondContact CE-O 3.39Å; M440-V445 HydrophobicContact CG-CB 4.34Å; M440-V445 HydrophobicContact CG-CG1 4.41Å; M440-V445 PolarHBondContact O-N 3.39Å; E443-V445 HydrophobicContact CB-CG2 3.8Å; E443-V445 PolarHBondContact O-N 2.97Å; V445-M449 HydrophobicContact CG1-CB 4.06Å; V445-V450 HydrophobicContact CG1-CG2 3.57Å; V445-W453 HydrophobicContact CB-CZ3 4.4Å; V445-W453 HydrophobicContact CG1-CE3 4.38Å; V445-W453 HydrophobicContact CG1-CH2 4.01Å; V445-W453 HydrophobicContact CG1-CZ3 3.47Å; V445-W453 VanDerWaalsContact CG1-CZ3 3.47Å; V445-W453 HydrophobicContact CG2-CH2 3.95Å; V445-W453 HydrophobicContact CG2-CZ3 3.97Å
446T86Confident85.3Confident35 Ų3546.5 Ų46.522%0.21521%0.209CC..  trans-85.4154.8174.970.10000111.5W283 A448 M449 V450W283-T446 WeakPolarHBondContact O-CB 3.35Å; W283-T446 VanDerWaalsContact O-CG2 3.22Å; W283-T446 WeakPolarHBondContact O-CG2 2.99Å; W283-T446 PolarHBondContact O-OG1 2.99Å; T446-A448 PolarHBondContact O-N 3.48Å; T446-A448 VanDerWaalsContact O-N 3.14Å; T446-M449 WeakPolarHBondContact O-CB 3.49Å; T446-M449 PolarHBondContact O-N 2.95Å; T446-M449 WeakPolarHBondContact OG1-CG 3.3Å; T446-V450 PolarHBondContact O-N 3.32Å
447P89.4Confident84.7Confident46 Ų4650.5 Ų50.530%0.29923%0.234SC..Hα-helixtrans-54.4-31.6174.4-2936.3000113.9F300 F302 M440 M449 V450 A451F300-P447 HydrophobicContact CB-CB 3.56Å; F300-P447 HydrophobicContact CB-CG 4.35Å; F300-P447 HydrophobicContact CD1-CB 4.04Å; F300-P447 HydrophobicContact CD2-CB 4.44Å; F300-P447 HydrophobicContact CG-CB 3.78Å; F302-P447 HydrophobicContact CE2-CB 3.82Å; F302-P447 HydrophobicContact CE2-CG 4.26Å; F302-P447 HydrophobicContact CZ-CB 3.76Å; M440-P447 HydrophobicContact CE-CG 4.19Å; P447-M449 VanDerWaalsContact C-N 3.34Å; P447-M449 PolarHBondContact O-N 3.19Å; P447-V450 PolarHBondContact O-N 3.05Å; P447-A451 WeakPolarHBondContact O-CB 3.27Å; P447-A451 PolarHBondContact O-N 2.96Å
448A86.2Confident83.9Confident5 Ų550.5 Ų50.54%0.04124%0.238CC..Hα-helixtrans-59.9-42.5174.300000112.5W283 F300 T446 A451 F452 L497W283-A448 HydrophobicContact CE3-CB 3.85Å; W283-A448 HydrophobicContact CZ3-CB 4.16Å; F300-A448 VanDerWaalsContact CE1-CA 3.41Å; F300-A448 HydrophobicContact CE1-CB 3.95Å; F300-A448 HydrophobicContact CE2-CB 3.83Å; F300-A448 VanDerWaalsContact CZ-CA 3.47Å; F300-A448 HydrophobicContact CZ-CB 3.42Å; F300-A448 VanDerWaalsContact CZ-CB 3.42Å; T446-A448 PolarHBondContact O-N 3.48Å; T446-A448 VanDerWaalsContact O-N 3.14Å; A448-A451 PolarHBondContact O-N 3.44Å; A448-F452 WeakPolarHBondContact O-CB 3.34Å; A448-F452 PolarHBondContact O-N 3.41Å; A448-L497 HydrophobicContact CB-CD2 3.94Å
449M87.9Confident83.4Confident15 Ų1548.2 Ų48.27%0.07423%0.225CC..Hα-helixtrans-66.6-44177.1-61.8171.277.900111.2I272 W283 V445 T446 P447 A451 F452 W453I272-M449 HydrophobicContact CD1-CE 3.48Å; I272-M449 VanDerWaalsContact CD1-CE 3.48Å; I272-M449 HydrophobicContact CD1-SD 4.23Å; I272-M449 HydrophobicContact CG1-CE 4.01Å; W283-M449 HydrophobicContact CB-CG 4.48Å; W283-M449 HydrophobicContact CE3-CG 4.23Å; V445-M449 HydrophobicContact CG1-CB 4.06Å; T446-M449 WeakPolarHBondContact O-CB 3.49Å; T446-M449 PolarHBondContact O-N 2.95Å; T446-M449 WeakPolarHBondContact OG1-CG 3.3Å; P447-M449 VanDerWaalsContact C-N 3.34Å; P447-M449 PolarHBondContact O-N 3.19Å; M449-A451 PolarHBondContact O-N 2.67Å; M449-F452 WeakPolarHBondContact O-CB 3.48Å; M449-F452 PolarHBondContact O-N 3.09Å; M449-W453 HydrophobicContact CB-CD2 4.49Å; M449-W453 HydrophobicContact CB-CE3 4.35Å; M449-W453 HydrophobicContact CB-CH2 4.04Å; M449-W453 HydrophobicContact CB-CZ2 4.17Å; M449-W453 HydrophobicContact CB-CZ3 4.13Å; M449-W453 HydrophobicContact CE-CH2 3.74Å; M449-W453 HydrophobicContact CE-CZ2 3.7Å; M449-W453 WeakPolarHBondContact O-CB 3.36Å; M449-W453 PolarHBondContact O-N 3.46Å
450V89.7Confident83Confident0 Ų050.1 Ų50.10%023%0.232CC..Hα-helixtrans-59.3-46.6174.9177.60000111F302 F436 W439 M440 V445 T446 P447 F452 W453 M454 L464F302-V450 HydrophobicContact CE1-CG1 4.3Å; F302-V450 HydrophobicContact CE2-CB 4.28Å; F302-V450 HydrophobicContact CE2-CG1 4.28Å; F302-V450 HydrophobicContact CE2-CG2 4.43Å; F302-V450 HydrophobicContact CZ-CB 3.79Å; F302-V450 HydrophobicContact CZ-CG1 3.76Å; F302-V450 HydrophobicContact CZ-CG2 4.41Å; F436-V450 HydrophobicContact CE2-CG1 4.37Å; F436-V450 HydrophobicContact CZ-CG1 4Å; F436-V450 HydrophobicContact CZ-CG2 4.19Å; W439-V450 HydrophobicContact CZ3-CG2 4.47Å; M440-V450 HydrophobicContact CE-CG2 3.94Å; M440-V450 HydrophobicContact CG-CG2 4.49Å; M440-V450 HydrophobicContact SD-CG2 4.1Å; V445-V450 HydrophobicContact CG1-CG2 3.57Å; T446-V450 PolarHBondContact O-N 3.32Å; P447-V450 PolarHBondContact O-N 3.05Å; V450-F452 VanDerWaalsContact C-N 3.35Å; V450-F452 PolarHBondContact O-N 2.48Å; V450-W453 PolarHBondContact O-N 3.14Å; V450-M454 HydrophobicContact CG1-CE 3.45Å; V450-M454 VanDerWaalsContact CG1-CE 3.45Å; V450-M454 HydrophobicContact CG1-CG 4.44Å; V450-M454 HydrophobicContact CG1-SD 4.12Å; V450-M454 WeakPolarHBondContact O-CG 3.4Å; V450-M454 PolarHBondContact O-N 2.95Å; V450-L464 HydrophobicContact CG1-CD2 4.3Å
451A88.9Confident82.4Confident0 Ų049.9 Ų49.90%023%0.232CC..Hα-helixtrans-61.2-42.2178.400000112.3F291 I298 F300 P447 A448 M449 L455F291-A451 HydrophobicContact CB-CB 3.85Å; F291-A451 HydrophobicContact CD1-CB 4.24Å; F291-A451 HydrophobicContact CG-CB 4.24Å; I298-A451 HydrophobicContact CB-CB 4Å; I298-A451 HydrophobicContact CG2-CB 3.52Å; F300-A451 HydrophobicContact CD1-CB 4.3Å; F300-A451 HydrophobicContact CE1-CB 3.93Å; P447-A451 WeakPolarHBondContact O-CB 3.27Å; P447-A451 PolarHBondContact O-N 2.96Å; A448-A451 PolarHBondContact O-N 3.44Å; M449-A451 PolarHBondContact O-N 2.67Å; A451-L455 PolarHBondContact O-N 3.21Å
452F87.8Confident81.9Confident3 Ų346.4 Ų46.41%0.01324%0.236CC..Hα-helixtrans-59.2-50173.2173.5-105.3000111.3F271 W283 F291 A448 M449 V450 M454 L455 H456 Y459 M501F271-F452 HydrophobicContact CE1-CE1 4.38Å; F271-F452 HydrophobicContact CE1-CZ 4.24Å; F271-F452 HydrophobicContact CZ-CZ 4.42Å; W283-F452 HydrophobicContact CH2-CB 3.8Å; W283-F452 HydrophobicContact CH2-CD1 4.37Å; W283-F452 AromaticContact CH2-CD2 3.91Å; W283-F452 HydrophobicContact CH2-CD2 3.91Å; W283-F452 AromaticContact CH2-CG 3.77Å; W283-F452 HydrophobicContact CH2-CG 3.77Å; W283-F452 HydrophobicContact CZ3-CB 3.96Å; W283-F452 HydrophobicContact CZ3-CG 4.41Å; F291-F452 HydrophobicContact CE1-CB 4.31Å; F291-F452 HydrophobicContact CE1-CD2 4.35Å; F291-F452 HydrophobicContact CE2-CB 4.35Å; F291-F452 HydrophobicContact CE2-CD2 4.33Å; F291-F452 HydrophobicContact CZ-CB 4.06Å; F291-F452 AromaticContact CZ-CD2 3.68Å; F291-F452 HydrophobicContact CZ-CD2 3.68Å; F291-F452 HydrophobicContact CZ-CG 4.37Å; A448-F452 WeakPolarHBondContact O-CB 3.34Å; A448-F452 PolarHBondContact O-N 3.41Å; M449-F452 WeakPolarHBondContact O-CB 3.48Å; M449-F452 PolarHBondContact O-N 3.09Å; V450-F452 VanDerWaalsContact C-N 3.35Å; V450-F452 PolarHBondContact O-N 2.48Å; F452-M454 PolarHBondContact O-N 2.74Å; F452-L455 PolarHBondContact O-N 3.34Å; F452-L455 VanDerWaalsContact O-N 3.14Å; F452-H456 AromaticContact CD2-CD2 3.36Å; F452-H456 WeakPolarHBondContact CD2-CD2 3.36Å; F452-H456 HydrophobicContact CE2-CB 4.23Å; F452-H456 AromaticContact CE2-CD2 3.34Å; F452-H456 WeakPolarHBondContact CE2-CD2 3.5Å; F452-H456 AromaticContact CE2-CG 3.82Å; F452-H456 AromaticContact CE2-NE2 4Å; F452-H456 HydrophobicContact CZ-CB 4.25Å; F452-H456 WeakPolarHBondContact O-CB 3.49Å; F452-H456 PolarHBondContact O-CD2 3.01Å; F452-H456 PolarHBondContact O-N 3.3Å; F452-Y459 HydrophobicContact CE1-CD1 4.38Å; F452-Y459 HydrophobicContact CE1-CD2 4.29Å; F452-Y459 AromaticContact CE1-CG 3.83Å; F452-Y459 HydrophobicContact CE1-CG 3.83Å; F452-Y459 HydrophobicContact CZ-CD1 4.37Å; F452-Y459 AromaticContact CZ-CD2 3.98Å; F452-Y459 HydrophobicContact CZ-CD2 3.98Å; F452-Y459 AromaticContact CZ-CG 3.89Å; F452-Y459 HydrophobicContact CZ-CG 3.89Å; F452-M501 HydrophobicContact CE2-CG 3.62Å; F452-M501 HydrophobicContact CZ-CG 3.91Å; F452-M501 HydrophobicContact CZ-SD 4.44Å
453W88.7Confident81.8Confident8 Ų841.6 Ų41.63%0.0322%0.22CC..Hα-helixtrans-66.7-31.2-178.9-65.9-31.2000114.3V268 W439 V445 M449 V450 L455 Y459 R460 P461 L464V268-W453 HydrophobicContact CB-CZ2 4.44Å; V268-W453 HydrophobicContact CG1-CH2 3.88Å; V268-W453 HydrophobicContact CG1-CZ2 4.05Å; V268-W453 HydrophobicContact CG2-CH2 4.21Å; V268-W453 HydrophobicContact CG2-CZ2 3.89Å; W439-W453 HydrophobicContact CH2-CE3 4.25Å; W439-W453 AromaticContact CH2-CZ3 3.71Å; W439-W453 HydrophobicContact CH2-CZ3 3.71Å; W439-W453 HydrophobicContact CZ2-CZ3 4.24Å; V445-W453 HydrophobicContact CB-CZ3 4.4Å; V445-W453 HydrophobicContact CG1-CE3 4.38Å; V445-W453 HydrophobicContact CG1-CH2 4.01Å; V445-W453 HydrophobicContact CG1-CZ3 3.47Å; V445-W453 VanDerWaalsContact CG1-CZ3 3.47Å; V445-W453 HydrophobicContact CG2-CH2 3.95Å; V445-W453 HydrophobicContact CG2-CZ3 3.97Å; M449-W453 HydrophobicContact CB-CD2 4.49Å; M449-W453 HydrophobicContact CB-CE3 4.35Å; M449-W453 HydrophobicContact CB-CH2 4.04Å; M449-W453 HydrophobicContact CB-CZ2 4.17Å; M449-W453 HydrophobicContact CB-CZ3 4.13Å; M449-W453 HydrophobicContact CE-CH2 3.74Å; M449-W453 HydrophobicContact CE-CZ2 3.7Å; M449-W453 WeakPolarHBondContact O-CB 3.36Å; M449-W453 PolarHBondContact O-N 3.46Å; V450-W453 PolarHBondContact O-N 3.14Å; W453-L455 VanDerWaalsContact C-N 3.3Å; W453-L455 PolarHBondContact O-N 3.49Å; W453-Y459 PolarHBondContact NE1-O 2.99Å; W453-R460 HydrophobicContact CB-CB 4.14Å; W453-R460 HydrophobicContact CB-CG 4.06Å; W453-P461 HydrophobicContact CD2-CG 3.83Å; W453-P461 HydrophobicContact CE3-CG 3.74Å; W453-P461 HydrophobicContact CH2-CG 3.79Å; W453-P461 HydrophobicContact CZ2-CG 3.88Å; W453-P461 HydrophobicContact CZ3-CG 3.71Å; W453-L464 HydrophobicContact CB-CD2 3.96Å; W453-L464 HydrophobicContact CE3-CD2 3.83Å
454M86.4Confident82Confident5 Ų539 Ų393%0.02521%0.208CC..Hα-helixtrans-67.1-31.1173.1-75.4178.7-179.400112.6T416 L418 V429 V450 F452 N467T416-M454 HydrophobicContact CG2-SD 4.45Å; L418-M454 HydrophobicContact CD2-CE 3.38Å; L418-M454 HydrophobicContact CD2-SD 4.16Å; V429-M454 HydrophobicContact CG2-CE 4.35Å; V450-M454 HydrophobicContact CG1-CE 3.45Å; V450-M454 VanDerWaalsContact CG1-CE 3.45Å; V450-M454 HydrophobicContact CG1-CG 4.44Å; V450-M454 HydrophobicContact CG1-SD 4.12Å; V450-M454 WeakPolarHBondContact O-CG 3.4Å; V450-M454 PolarHBondContact O-N 2.95Å; F452-M454 PolarHBondContact O-N 2.74Å; M454-N467 HydrophobicContact CE-CB 4.14Å
455L84.7Confident82.1Confident31 Ų3128.9 Ų28.916%0.16217%0.17CC..Hα-helixtrans-95.5-21.8-178.9-63.2-173.7000113.7F291 C293 R296 I298 A451 F452 W453 L471F291-L455 HydrophobicContact CD1-CD1 4.16Å; F291-L455 HydrophobicContact CE1-CD1 4.21Å; C293-L455 HydrophobicContact CB-CD1 3.64Å; R296-L455 HydrophobicContact CB-CD1 4.14Å; R296-L455 HydrophobicContact CB-CD2 4.43Å; I298-L455 HydrophobicContact CD1-CD2 4.33Å; I298-L455 HydrophobicContact CG1-CD1 3.69Å; I298-L455 HydrophobicContact CG1-CD2 4.29Å; I298-L455 HydrophobicContact CG1-CG 4.1Å; A451-L455 PolarHBondContact O-N 3.21Å; F452-L455 PolarHBondContact O-N 3.34Å; F452-L455 VanDerWaalsContact O-N 3.14Å; W453-L455 VanDerWaalsContact C-N 3.3Å; W453-L455 PolarHBondContact O-N 3.49Å; L455-L471 HydrophobicContact CD2-CD2 4.14Å
456H81.6Confident82.2Confident25 Ų2528.8 Ų28.812%0.11617%0.17CC..  trans-121.184.6178.5-60.8-78.5000110.3C293 F452 D458 Y459 C499 C503C293-H456 PolarHBondContact SG-CE1 3.02Å; C293-H456 PolarHBondContact SG-NE2 2.67Å; F452-H456 AromaticContact CD2-CD2 3.36Å; F452-H456 WeakPolarHBondContact CD2-CD2 3.36Å; F452-H456 HydrophobicContact CE2-CB 4.23Å; F452-H456 AromaticContact CE2-CD2 3.34Å; F452-H456 WeakPolarHBondContact CE2-CD2 3.5Å; F452-H456 AromaticContact CE2-CG 3.82Å; F452-H456 AromaticContact CE2-NE2 4Å; F452-H456 HydrophobicContact CZ-CB 4.25Å; F452-H456 WeakPolarHBondContact O-CB 3.49Å; F452-H456 PolarHBondContact O-CD2 3.01Å; F452-H456 PolarHBondContact O-N 3.3Å; H456-D458 PolarHBondContact O-N 3.14Å; H456-D458 VanDerWaalsContact O-N 3.1Å; H456-Y459 HydrophobicContact CB-CD2 3.67Å; H456-Y459 HydrophobicContact CB-CE2 4.34Å; H456-Y459 PolarHBondContact O-N 2.9Å; H456-C499 PolarHBondContact NE2-SG 2.9Å; H456-C503 PolarHBondContact CE1-SG 2.81Å
457T74.2Confident82.5Confident84 Ų8427.1 Ų27.152%0.51516%0.16SC..G310 helixtrans-56.4-29.3-174.950.30000113.7Y459 R460T457-Y459 PolarHBondContact O-N 3.08Å; T457-R460 WeakPolarHBondContact O-CB 3.44Å; T457-R460 PolarHBondContact O-N 3.14Å
458D69.3Low82.4Confident88 Ų8827.4 Ų27.447%0.47116%0.158SC..G310 helixtrans-70.8-17.8-178.2-52.6-30.6000113.1N264 H456N264-D458 PolarHBondContact OD1-O 3.34Å; H456-D458 PolarHBondContact O-N 3.14Å; H456-D458 VanDerWaalsContact O-N 3.1Å
459Y71.8Confident82.6Confident68 Ų6827.1 Ų27.127%0.26716%0.156SC..G310 helixtrans-107.5-2.5179.3-57.1-91.2000112.8F271 F452 W453 H456 T457 M501F271-Y459 HydrophobicContact CE2-CD1 4.32Å; F271-Y459 HydrophobicContact CE2-CE1 4.14Å; F452-Y459 HydrophobicContact CE1-CD1 4.38Å; F452-Y459 HydrophobicContact CE1-CD2 4.29Å; F452-Y459 AromaticContact CE1-CG 3.83Å; F452-Y459 HydrophobicContact CE1-CG 3.83Å; F452-Y459 HydrophobicContact CZ-CD1 4.37Å; F452-Y459 AromaticContact CZ-CD2 3.98Å; F452-Y459 HydrophobicContact CZ-CD2 3.98Å; F452-Y459 AromaticContact CZ-CG 3.89Å; F452-Y459 HydrophobicContact CZ-CG 3.89Å; W453-Y459 PolarHBondContact NE1-O 2.99Å; H456-Y459 HydrophobicContact CB-CD2 3.67Å; H456-Y459 HydrophobicContact CB-CE2 4.34Å; H456-Y459 PolarHBondContact O-N 2.9Å; T457-Y459 PolarHBondContact O-N 3.08Å; Y459-M501 HydrophobicContact CE1-SD 4.47Å; Y459-M501 HydrophobicContact CE2-CE 4.12Å; Y459-M501 HydrophobicContact CE2-SD 4.41Å; Y459-M501 WeakPolarHBondContact OH-CE 3.37Å
460R78.8Confident82.8Confident56 Ų5626.4 Ų26.421%0.21115%0.153CC..  trans-71.1130.9-174.6-172.9174.980.7-138.65.7111W453 T457 L464 A466W453-R460 HydrophobicContact CB-CB 4.14Å; W453-R460 HydrophobicContact CB-CG 4.06Å; T457-R460 WeakPolarHBondContact O-CB 3.44Å; T457-R460 PolarHBondContact O-N 3.14Å; R460-L464 WeakPolarHBondContact CD-O 3.46Å; R460-L464 HydrophobicContact CG-CB 4.05Å; R460-L464 HydrophobicContact CG-CD2 4.19Å; R460-L464 HydrophobicContact CG-CG 4.25Å; R460-L464 WeakPolarHBondContact CG-O 3.28Å; R460-L464 PolarHBondContact NE-O 3.29Å; R460-A466 VanDerWaalsContact NH1-CA 3.25Å
461P75.4Confident82.8Confident19 Ų1926.6 Ų26.612%0.12315%0.154CC..  trans-59.1139170.2-22.432.9000110.7V268 W439 W453 I463 L464V268-P461 HydrophobicContact CG2-CB 4.33Å; V268-P461 HydrophobicContact CG2-CG 3.7Å; W439-P461 HydrophobicContact CZ2-CG 4.47Å; W453-P461 HydrophobicContact CD2-CG 3.83Å; W453-P461 HydrophobicContact CE3-CG 3.74Å; W453-P461 HydrophobicContact CH2-CG 3.79Å; W453-P461 HydrophobicContact CZ2-CG 3.88Å; W453-P461 HydrophobicContact CZ3-CG 3.71Å; P461-I463 HydrophobicContact CB-CG2 4.04Å; P461-I463 PolarHBondContact O-N 3Å; P461-I463 VanDerWaalsContact O-N 3.09Å; P461-L464 PolarHBondContact O-N 3.16Å
462G71.9Confident82.8Confident75 Ų7526.6 Ų26.677%0.77315%0.154SC*.THydrogen-bonded Turntrans-60.7-22-178.900000114.8L464G462-L464 VanDerWaalsContact C-N 3.32Å
463I76.5Confident83Confident34 Ų3426.5 Ų26.517%0.17415%0.153CC..THydrogen-bonded Turntrans-72.3-25174.7-158.4178000112.5M431 W439 P461 Q1251M431-I463 HydrophobicContact CE-CG1 4.1Å; M431-I463 WeakPolarHBondContact CE-O 3.47Å; W439-I463 HydrophobicContact CD2-CG2 4.48Å; W439-I463 HydrophobicContact CG-CD1 4.45Å; W439-I463 HydrophobicContact CZ2-CG2 3.61Å; P461-I463 HydrophobicContact CB-CG2 4.04Å; P461-I463 PolarHBondContact O-N 3Å; P461-I463 VanDerWaalsContact O-N 3.09Å; I463-Q1251 PolarHBondContact O-NE2 2.91Å
464L82.8Confident83.1Confident1 Ų126.3 Ų26.31%0.00515%0.153CC..SBendtrans-94.2121.4-179.7-17665.1000109.5V429 F436 W439 V450 W453 R460 P461 G462V429-L464 HydrophobicContact CG1-CD1 3.64Å; F436-L464 HydrophobicContact CD2-CD1 4.36Å; F436-L464 HydrophobicContact CE2-CD1 3.82Å; W439-L464 HydrophobicContact CH2-CB 4.2Å; W439-L464 HydrophobicContact CH2-CD1 4.39Å; W439-L464 HydrophobicContact CH2-CD2 4.28Å; W439-L464 HydrophobicContact CZ3-CD1 4.15Å; V450-L464 HydrophobicContact CG1-CD2 4.3Å; W453-L464 HydrophobicContact CB-CD2 3.96Å; W453-L464 HydrophobicContact CE3-CD2 3.83Å; R460-L464 WeakPolarHBondContact CD-O 3.46Å; R460-L464 HydrophobicContact CG-CB 4.05Å; R460-L464 HydrophobicContact CG-CD2 4.19Å; R460-L464 HydrophobicContact CG-CG 4.25Å; R460-L464 WeakPolarHBondContact CG-O 3.28Å; R460-L464 PolarHBondContact NE-O 3.29Å; P461-L464 PolarHBondContact O-N 3.16Å; G462-L464 VanDerWaalsContact C-N 3.32Å
465G83.6Confident83Confident0 Ų027.4 Ų27.40%016%0.159CC..  trans-71.6163.617300000113.2N425 S428 V429 N467N425-G465 CarbonylContact O-C 3.59Å; N425-G465 WeakPolarHBondContact O-CA 3.36Å; S428-G465 CarbonylContact O-C 3.39Å; S428-G465 VanDerWaalsContact O-C 3.29Å; S428-G465 VanDerWaalsContact O-CA 3.31Å; S428-G465 WeakPolarHBondContact O-CA 3.43Å; V429-G465 WeakPolarHBondContact O-CA 3.41Å; V429-G465 PolarHBondContact O-N 3.24Å; G465-N467 VanDerWaalsContact C-N 3.3Å; G465-N467 PolarHBondContact O-N 3.16Å
466A84.7Confident83.2Confident6 Ų626.6 Ų26.65%0.0516%0.155CC..  trans-75.3-17.9-174.100000113.9N425 D426 S428 R460 L468N425-A466 PolarHBondContact O-N 3.17Å; D426-A466 WeakPolarHBondContact O-CB 3.32Å; S428-A466 PolarHBondContact O-N 3.11Å; R460-A466 VanDerWaalsContact NH1-CA 3.25Å; A466-L468 HydrophobicContact CB-CD1 4.46Å; A466-L468 HydrophobicContact CB-CD2 4.48Å; A466-L468 HydrophobicContact CB-CG 3.92Å; A466-L468 PolarHBondContact O-N 2.98Å; A466-L468 VanDerWaalsContact O-N 3.16Å
467N91.6Very high83.4Confident0 Ų026.2 Ų26.20%015%0.152CC..  trans5038.8-178.7-173.442.5000113.2L417 L418 E419 W427 S428 V429 M454 G465 N469 G470 L471L417-N467 PolarHBondContact O-ND2 2.86Å; L418-N467 VanDerWaalsContact CD2-ND2 3.3Å; L418-N467 WeakPolarHBondContact CD2-ND2 3.33Å; E419-N467 PolarHBondContact N-OD1 2.98Å; W427-N467 CarbonylContact O-C 3.55Å; S428-N467 PolarHBondContact O-N 3.02Å; V429-N467 HydrophobicContact CG2-CB 3.93Å; M454-N467 HydrophobicContact CE-CB 4.14Å; G465-N467 VanDerWaalsContact C-N 3.3Å; G465-N467 PolarHBondContact O-N 3.16Å; N467-N469 PolarHBondContact O-N 2.72Å; N467-G470 PolarHBondContact O-N 2.98Å; N467-G470 VanDerWaalsContact O-N 3.15Å; N467-L471 PolarHBondContact O-N 3.36Å; N467-L471 VanDerWaalsContact O-N 3.09Å
468L88.4Confident83.6Confident52 Ų5226.2 Ų26.227%0.27214%0.142SC..Hα-helixtrans-60.6-28.7-176.7-69.5172.8000112.4D426 W427 A466 L471 L472D426-L468 WeakPolarHBondContact O-CB 3.41Å; D426-L468 WeakPolarHBondContact O-CD1 3.11Å; D426-L468 VanDerWaalsContact O-CG 3.28Å; D426-L468 WeakPolarHBondContact O-CG 3.41Å; D426-L468 PolarHBondContact O-N 3.02Å; W427-L468 HydrophobicContact CD2-CB 4.2Å; W427-L468 HydrophobicContact CE3-CB 3.42Å; W427-L468 VanDerWaalsContact CE3-CB 3.42Å; W427-L468 HydrophobicContact CE3-CD1 4.34Å; W427-L468 HydrophobicContact CH2-CB 4.23Å; W427-L468 HydrophobicContact CH2-CD1 3.94Å; W427-L468 HydrophobicContact CZ2-CD1 4.16Å; W427-L468 HydrophobicContact CZ3-CB 3.47Å; W427-L468 VanDerWaalsContact CZ3-CB 3.47Å; W427-L468 HydrophobicContact CZ3-CD1 4.05Å; W427-L468 HydrophobicContact CZ3-CG 4.4Å; W427-L468 PolarHBondContact O-N 3.39Å; A466-L468 HydrophobicContact CB-CD1 4.46Å; A466-L468 HydrophobicContact CB-CD2 4.48Å; A466-L468 HydrophobicContact CB-CG 3.92Å; A466-L468 PolarHBondContact O-N 2.98Å; A466-L468 VanDerWaalsContact O-N 3.16Å; L468-L471 HydrophobicContact CD2-CD1 4.38Å; L468-L472 VanDerWaalsContact O-CB 3.26Å; L468-L472 WeakPolarHBondContact O-CB 3.27Å; L468-L472 PolarHBondContact O-N 2.89Å
469N90.1Very high84.1Confident0 Ų027.5 Ų27.50%015%0.15CC..Hα-helixtrans-66.4-46.2176.4-168.250.3000111.7T314 E419 W427 N467 L471 L472 L473T314-N469 WeakPolarHBondContact CG2-OD1 3.33Å; T314-N469 PolarHBondContact N-ND2 3.41Å; T314-N469 VanDerWaalsContact OG1-CG 3.29Å; T314-N469 PolarHBondContact OG1-ND2 3.37Å; T314-N469 PolarHBondContact OG1-OD1 2.93Å; T314-N469 VanDerWaalsContact OG1-OD1 3.1Å; E419-N469 HydrophobicContact CB-CB 4.14Å; E419-N469 HydrophobicContact CG-CB 4.35Å; E419-N469 PolarHBondContact OE2-ND2 3.44Å; W427-N469 HydrophobicContact CB-CB 4.37Å; W427-N469 WeakPolarHBondContact O-CB 3.46Å; W427-N469 PolarHBondContact O-N 3.07Å; N467-N469 PolarHBondContact O-N 2.72Å; N469-L471 PolarHBondContact O-N 2.79Å; N469-L472 PolarHBondContact O-N 3.44Å; N469-L473 WeakPolarHBondContact O-CG 3.5Å; N469-L473 PolarHBondContact O-N 3.04Å
470G91.7Very high84.4Confident0 Ų025.2 Ų25.20%014%0.142CC..Hα-helixtrans-59.5-45.7174.600000112.2L417 N467 L472 L473 M474L417-G470 VanDerWaalsContact O-CA 3.27Å; L417-G470 WeakPolarHBondContact O-CA 3.46Å; N467-G470 PolarHBondContact O-N 2.98Å; N467-G470 VanDerWaalsContact O-N 3.15Å; G470-L472 PolarHBondContact O-N 2.55Å; G470-L473 PolarHBondContact O-N 2.99Å; G470-M474 WeakPolarHBondContact O-CE 3.3Å; G470-M474 VanDerWaalsContact O-CG 3.3Å; G470-M474 WeakPolarHBondContact O-CG 3.04Å; G470-M474 PolarHBondContact O-N 3.09Å
471L89.7Confident83.9Confident4 Ų426.1 Ų26.12%0.02116%0.155CC..Hα-helixtrans-60.2-42.9175.2-67.2178.1000112.5I298 L455 N467 L468 N469 M474 D475I298-L471 HydrophobicContact CD1-CD2 3.98Å; L455-L471 HydrophobicContact CD2-CD2 4.14Å; N467-L471 PolarHBondContact O-N 3.36Å; N467-L471 VanDerWaalsContact O-N 3.09Å; L468-L471 HydrophobicContact CD2-CD1 4.38Å; N469-L471 PolarHBondContact O-N 2.79Å; L471-M474 HydrophobicContact CD2-CE 3.6Å; L471-M474 HydrophobicContact CG-CE 4.38Å; L471-M474 PolarHBondContact O-N 3.3Å; L471-D475 PolarHBondContact O-N 3.45Å
472L89.8Confident82.7Confident0 Ų030.6 Ų30.60%017%0.174CC..Hα-helixtrans-62-47.4176.5173.664.2000111.7Y388 L391 K392 L468 N469 G470 M474 D475 I476Y388-L472 HydrophobicContact CE2-CB 4.37Å; Y388-L472 HydrophobicContact CE2-CD1 4.4Å; L391-L472 HydrophobicContact CD2-CD2 4.16Å; L391-L472 HydrophobicContact CG-CD2 4.19Å; K392-L472 HydrophobicContact CB-CD1 3.75Å; K392-L472 HydrophobicContact CB-CD2 4.39Å; K392-L472 HydrophobicContact CD-CD1 4.04Å; K392-L472 HydrophobicContact CG-CD1 3.79Å; L468-L472 VanDerWaalsContact O-CB 3.26Å; L468-L472 WeakPolarHBondContact O-CB 3.27Å; L468-L472 PolarHBondContact O-N 2.89Å; N469-L472 PolarHBondContact O-N 3.44Å; G470-L472 PolarHBondContact O-N 2.55Å; L472-M474 VanDerWaalsContact C-N 3.27Å; L472-M474 PolarHBondContact O-N 2.75Å; L472-D475 CarbonylContact O-C 3.59Å; L472-D475 WeakPolarHBondContact O-CA 3.34Å; L472-D475 WeakPolarHBondContact O-CB 3.48Å; L472-D475 PolarHBondContact O-N 3.35Å; L472-D475 VanDerWaalsContact O-N 3.08Å; L472-I476 HydrophobicContact CD1-CD1 4.4Å; L472-I476 HydrophobicContact CG-CD1 4.25Å; L472-I476 WeakPolarHBondContact O-CG1 3.4Å; L472-I476 PolarHBondContact O-N 2.81Å
473L91.8Very high81.3Confident0 Ų031.5 Ų31.50%017%0.168CC..Hα-helixtrans-62.2-36.3177.2-71.3169.6000111.6L305 L312 T395 F399 L409 L417 N469 G470 I476 R477L305-L473 HydrophobicContact CD1-CD1 3.46Å; L305-L473 VanDerWaalsContact CD1-CD1 3.46Å; L312-L473 HydrophobicContact CB-CD1 4.24Å; T395-L473 HydrophobicContact CG2-CD2 4.14Å; F399-L473 HydrophobicContact CE2-CD2 3.73Å; F399-L473 HydrophobicContact CZ-CD2 3.75Å; L409-L473 HydrophobicContact CD1-CB 4.11Å; L417-L473 HydrophobicContact CD1-CB 3.65Å; N469-L473 WeakPolarHBondContact O-CG 3.5Å; N469-L473 PolarHBondContact O-N 3.04Å; G470-L473 PolarHBondContact O-N 2.99Å; L473-I476 PolarHBondContact O-N 3.33Å; L473-R477 VanDerWaalsContact O-CB 3.32Å; L473-R477 WeakPolarHBondContact O-CB 3.49Å; L473-R477 PolarHBondContact O-N 3.48Å
474M89.7Confident80.1Confident5 Ų532.3 Ų32.33%0.02517%0.173CC..Hα-helixtrans-68.6-32.5172.8-69.8-172.1-72.400113.3I298 T416 L417 G470 L471 L472 R478I298-M474 HydrophobicContact CD1-CE 4.01Å; I298-M474 HydrophobicContact CD1-SD 4.48Å; T416-M474 HydrophobicContact CG2-CE 4.07Å; T416-M474 HydrophobicContact CG2-SD 4.27Å; L417-M474 HydrophobicContact CB-CG 4.24Å; L417-M474 HydrophobicContact CD1-CG 3.97Å; L417-M474 HydrophobicContact CG-CG 3.83Å; G470-M474 WeakPolarHBondContact O-CE 3.3Å; G470-M474 VanDerWaalsContact O-CG 3.3Å; G470-M474 WeakPolarHBondContact O-CG 3.04Å; G470-M474 PolarHBondContact O-N 3.09Å; L471-M474 HydrophobicContact CD2-CE 3.6Å; L471-M474 HydrophobicContact CG-CE 4.38Å; L471-M474 PolarHBondContact O-N 3.3Å; L472-M474 VanDerWaalsContact C-N 3.27Å; L472-M474 PolarHBondContact O-N 2.75Å; M474-R478 WeakPolarHBondContact O-CA 3.4Å; M474-R478 WeakPolarHBondContact O-CB 3.33Å; M474-R478 WeakPolarHBondContact O-CG 3.26Å; M474-R478 PolarHBondContact O-N 3.09Å; M474-R478 PolarHBondContact O-NE 2.73Å
475D85.7Confident78.6Confident27 Ų2736.2 Ų36.214%0.14419%0.187CC..Hα-helixtrans-70.7-32.3170.8-78.9-28.6000111.8R296 Y388 L471 L472 R478 N479R296-D475 IonicContact CZ-OD2 3.48Å; R296-D475 IonicContact NE-OD1 2.79Å; R296-D475 IonicContact NE-OD2 3.9Å; R296-D475 IonicContact NH2-OD1 3.48Å; R296-D475 IonicContact NH2-OD2 3.11Å; R296-D475 PolarHBondContact NH2-OD2 3.21Å; Y388-D475 PolarHBondContact OH-OD2 3.46Å; L471-D475 PolarHBondContact O-N 3.45Å; L472-D475 CarbonylContact O-C 3.59Å; L472-D475 WeakPolarHBondContact O-CA 3.34Å; L472-D475 WeakPolarHBondContact O-CB 3.48Å; L472-D475 PolarHBondContact O-N 3.35Å; L472-D475 VanDerWaalsContact O-N 3.08Å; D475-R478 WeakPolarHBondContact O-CA 3.44Å; D475-R478 IonicContact OD1-CZ 3.65Å; D475-R478 VanDerWaalsContact OD1-CZ 3.31Å; D475-R478 IonicContact OD1-NE 2.75Å; D475-R478 IonicContact OD1-NH1 3.63Å; D475-R478 IonicContact OD1-NH2 3.9Å; D475-R478 PolarHBondContact OD1-NH2 3.49Å; D475-N479 PolarHBondContact O-N 3.28Å; D475-N479 PolarHBondContact O-ND2 2.93Å
476I87.2Confident76.6Confident15 Ų1541.5 Ų41.58%0.07722%0.216CC..Hα-helixtrans-70.3-47.7171.8-66.1169.3000109.8T395 L409 L472 L473 R478 N479 L480T395-I476 HydrophobicContact CG2-CD1 3.55Å; L409-I476 HydrophobicContact CD2-CB 4.23Å; L409-I476 HydrophobicContact CD2-CG2 3.89Å; L472-I476 HydrophobicContact CD1-CD1 4.4Å; L472-I476 HydrophobicContact CG-CD1 4.25Å; L472-I476 WeakPolarHBondContact O-CG1 3.4Å; L472-I476 PolarHBondContact O-N 2.81Å; L473-I476 PolarHBondContact O-N 3.33Å; I476-R478 PolarHBondContact O-N 3.32Å; I476-N479 PolarHBondContact O-N 2.92Å; I476-L480 PolarHBondContact O-N 2.85Å
477R86.9Confident74.5Confident17 Ų1748.7 Ų48.76%0.06425%0.252CS..Hα-helixtrans-54.6-53.8176.1-170.5174.570.6-175.1-0.7111.1L409 T412 G413 D414 R415 L473 N479 L480L409-R477 HydrophobicContact CD1-CB 4.24Å; L409-R477 HydrophobicContact CD2-CB 3.9Å; L409-R477 HydrophobicContact CG-CB 3.87Å; L409-R477 HydrophobicContact CG-CG 4.14Å; L409-R477 WeakPolarHBondContact O-CD 2.84Å; T412-R477 WeakPolarHBondContact OG1-CD 3.2Å; T412-R477 PolarHBondContact OG1-NH1 3.1Å; G413-R477 WeakPolarHBondContact O-CD 3.5Å; G413-R477 PolarHBondContact O-NE 3.04Å; G413-R477 PolarHBondContact O-NH1 3.32Å; D414-R477 PolarHBondContact O-NH2 3.18Å; R415-R477 VanDerWaalsContact O-CZ 3.29Å; R415-R477 PolarHBondContact O-NH1 3.16Å; R415-R477 PolarHBondContact O-NH2 2.86Å; L473-R477 VanDerWaalsContact O-CB 3.32Å; L473-R477 WeakPolarHBondContact O-CB 3.49Å; L473-R477 PolarHBondContact O-N 3.48Å; R477-N479 PolarHBondContact O-N 3.06Å; R477-L480 PolarHBondContact O-N 3.41Å
478R79.1Confident72.2Confident83 Ų8352.2 Ų52.231%0.31327%0.266SS..Hα-helixtrans10.6-82.7135.3-25.1164.2-71.2155.7-4.4118.7K295 M474 D475 I476 R485K295-R478 PolarHBondContact O-NH1 2.94Å; M474-R478 WeakPolarHBondContact O-CA 3.4Å; M474-R478 WeakPolarHBondContact O-CB 3.33Å; M474-R478 WeakPolarHBondContact O-CG 3.26Å; M474-R478 PolarHBondContact O-N 3.09Å; M474-R478 PolarHBondContact O-NE 2.73Å; D475-R478 WeakPolarHBondContact O-CA 3.44Å; D475-R478 IonicContact OD1-CZ 3.65Å; D475-R478 VanDerWaalsContact OD1-CZ 3.31Å; D475-R478 IonicContact OD1-NE 2.75Å; D475-R478 IonicContact OD1-NH1 3.63Å; D475-R478 IonicContact OD1-NH2 3.9Å; D475-R478 PolarHBondContact OD1-NH2 3.49Å; I476-R478 PolarHBondContact O-N 3.32Å; R478-R485 PolarHBondContact O-NE 3.15Å; R478-R485 PolarHBondContact O-NH2 3.42Å
479N79.5Confident70.1Confident116 Ų11653.4 Ų53.462%0.6228%0.283SS*.Hα-helixtrans-980.2-160.2-69.8-47.4000112.8D475 I476 R477D475-N479 PolarHBondContact O-N 3.28Å; D475-N479 PolarHBondContact O-ND2 2.93Å; I476-N479 PolarHBondContact O-N 2.92Å; R477-N479 PolarHBondContact O-N 3.06Å
480L76.7Confident67.9Low19 Ų1961.9 Ų61.910%0.09932%0.322CS..SBendtrans-62.9149.4172.6-65.1174.9000110.5K406 L410 I476 R477 R485K406-L480 HydrophobicContact CB-CD1 4.42Å; K406-L480 HydrophobicContact CB-CD2 4.47Å; K406-L480 HydrophobicContact CD-CD2 4.15Å; K406-L480 HydrophobicContact CG-CD2 4.17Å; L410-L480 HydrophobicContact CD1-CD1 4.1Å; L410-L480 HydrophobicContact CD2-CD1 3.76Å; L410-L480 HydrophobicContact CG-CD1 3.8Å; I476-L480 PolarHBondContact O-N 2.85Å; R477-L480 PolarHBondContact O-N 3.41Å; L480-R485 PolarHBondContact O-NE 3.15Å; L480-R485 PolarHBondContact O-NH2 3.25Å
481P68.4Low65.9Low75 Ų7567 Ų6749%0.48735%0.347SS..  trans-56.2147.5-169.5-26.534.3000115.2S483 I484 R485P481-S483 PolarHBondContact O-N 2.91Å; P481-S483 VanDerWaalsContact O-N 3.09Å; P481-I484 WeakPolarHBondContact O-CB 3.24Å; P481-I484 PolarHBondContact O-N 3.5Å; P481-R485 PolarHBondContact O-N 3.36Å
482E51.5Low63.9Low113 Ų11372.5 Ų72.553%0.52838%0.382SS..Hα-helixtrans-54-30.5-178.5-13967.1-14800113.5I484 R485 N486E482-I484 PolarHBondContact O-N 3.34Å; E482-I484 VanDerWaalsContact O-N 3.07Å; E482-R485 PolarHBondContact O-N 3.3Å; E482-R485 IonicContact OE1-NH1 2.84Å; E482-R485 IonicContact OE2-CZ 2.69Å; E482-R485 IonicContact OE2-NH1 3.45Å; E482-R485 PolarHBondContact OE2-NH1 2.84Å; E482-R485 VanDerWaalsContact OE2-NH1 3.12Å; E482-N486 VanDerWaalsContact O-CG 3.23Å; E482-N486 PolarHBondContact O-N 2.79Å; E482-N486 PolarHBondContact O-OD1 3.14Å
483S43.1Very low62.4Low94 Ų9476.6 Ų76.666%0.65740%0.404SS*.Hα-helixtrans-59.4-21.2176.356.80000113.8P481P481-S483 PolarHBondContact O-N 2.91Å; P481-S483 VanDerWaalsContact O-N 3.09Å
484I50.2Low61.2Low51 Ų5180.6 Ų80.626%0.26242%0.419SS..Hα-helixtrans-98.7-30.6175.7-56.6-178.5000110.9L410 P481 E482 N486 L487L410-I484 HydrophobicContact CD1-CB 4.46Å; L410-I484 HydrophobicContact CD1-CD1 3.78Å; L410-I484 HydrophobicContact CD1-CG2 3.33Å; L410-I484 HydrophobicContact CD2-CG2 3.33Å; L410-I484 HydrophobicContact CG-CG2 3.85Å; P481-I484 WeakPolarHBondContact O-CB 3.24Å; P481-I484 PolarHBondContact O-N 3.5Å; E482-I484 PolarHBondContact O-N 3.34Å; E482-I484 VanDerWaalsContact O-N 3.07Å; I484-N486 VanDerWaalsContact C-N 3.28Å; I484-N486 PolarHBondContact O-N 2.9Å; I484-L487 PolarHBondContact O-N 3.4Å
485R50.6Low60.5Low84 Ų8483.1 Ų83.132%0.31744%0.435SS..Hα-helixtrans-70.5-22.4174.8-63.1-171.9-158.7155.612.1113.3R478 L480 P481 E482 L487 R488R478-R485 PolarHBondContact O-NE 3.15Å; R478-R485 PolarHBondContact O-NH2 3.42Å; L480-R485 PolarHBondContact O-NE 3.15Å; L480-R485 PolarHBondContact O-NH2 3.25Å; P481-R485 PolarHBondContact O-N 3.36Å; E482-R485 PolarHBondContact O-N 3.3Å; E482-R485 IonicContact OE1-NH1 2.84Å; E482-R485 IonicContact OE2-CZ 2.69Å; E482-R485 IonicContact OE2-NH1 3.45Å; E482-R485 PolarHBondContact OE2-NH1 2.84Å; E482-R485 VanDerWaalsContact OE2-NH1 3.12Å; R485-L487 PolarHBondContact O-N 2.97Å; R485-R488 CarbonylContact O-C 3.4Å; R485-R488 WeakPolarHBondContact O-CA 3.46Å; R485-R488 WeakPolarHBondContact O-CB 3.49Å; R485-R488 PolarHBondContact O-N 3.18Å
486N42.6Very low60.2Low111 Ų11184 Ų8459%0.59444%0.439SS*.G310 helixtrans-64.1-14.5174.4-70-16000113.7E482 I484 R488E482-N486 VanDerWaalsContact O-CG 3.23Å; E482-N486 PolarHBondContact O-N 2.79Å; E482-N486 PolarHBondContact O-OD1 3.14Å; I484-N486 VanDerWaalsContact C-N 3.28Å; I484-N486 PolarHBondContact O-N 2.9Å; N486-R488 PolarHBondContact O-N 2.81Å
487L39.4Very low59.9Low156 Ų15683.5 Ų83.582%0.81744%0.436SS*.G310 helixtrans-75.7-10166.5-70.6164.8000113.1I484 R485I484-L487 PolarHBondContact O-N 3.4Å; R485-L487 PolarHBondContact O-N 2.97Å
488R45Very low59.5Low75 Ų7586.3 Ų86.328%0.28345%0.453SS..G310 helixtrans-115.515.6-178.5-55.6-179-175.6-152.6-7.8112.6L410 G413 R485 N486 E490L410-R488 PolarHBondContact O-NH2 3.38Å; G413-R488 VanDerWaalsContact C-NH2 3.34Å; G413-R488 PolarHBondContact O-NH1 2.58Å; G413-R488 PolarHBondContact O-NH2 2.9Å; R485-R488 CarbonylContact O-C 3.4Å; R485-R488 WeakPolarHBondContact O-CA 3.46Å; R485-R488 WeakPolarHBondContact O-CB 3.49Å; R485-R488 PolarHBondContact O-N 3.18Å; N486-R488 PolarHBondContact O-N 2.81Å; R488-E490 PolarHBondContact O-N 3.25Å
489A44Very low59.4Low77 Ų7782.7 Ų82.764%0.63644%0.44SS*.SBendtrans-62.9102.9175.900000109.3
490E43.2Very low58.8Low177 Ų17779.6 Ų79.683%0.82743%0.426SS*.  trans48.382.2163.4-59.8-176.6175.900115.9R488 P492R488-E490 PolarHBondContact O-N 3.25Å; E490-P492 VanDerWaalsContact O-CD 3.23Å; E490-P492 WeakPolarHBondContact O-CD 3.28Å
491E50.1Low58.3Low109 Ų10981.8 Ų81.851%0.50944%0.437SS..  trans-61.6115.9155.4-79.5177.7165.300108.4D493 R494E491-D493 PolarHBondContact O-N 3.44Å; E491-D493 VanDerWaalsContact O-N 3.08Å; E491-R494 HydrophobicContact CB-CG 4.27Å; E491-R494 PolarHBondContact O-N 3.07Å; E491-R494 IonicContact OE2-NE 3.98Å; E491-R494 IonicContact OE2-NH2 2.59Å
492P47.1Very low57.8Low118 Ų11883.4 Ų83.477%0.76644%0.438SS*.THydrogen-bonded Turntrans-67-9.6-174.925.8-33.3000113.8E490E490-P492 VanDerWaalsContact O-CD 3.23Å; E490-P492 WeakPolarHBondContact O-CD 3.28Å
493D57.5Low58.2Low86 Ų8680.2 Ų80.246%0.4643%0.427SS..THydrogen-bonded Turntrans-101.414.2-173.6-59.2-31.1000113.7E491 V495 N932E491-D493 PolarHBondContact O-N 3.44Å; E491-D493 VanDerWaalsContact O-N 3.08Å; D493-V495 PolarHBondContact O-N 3.02Å; D493-N932 VanDerWaalsContact OD2-CG 3.32Å; D493-N932 PolarHBondContact OD2-ND2 2.91Å
494R66.7Low58.5Low85 Ų8577.5 Ų77.532%0.32141%0.406SS..  trans-7595175.5-73.2-175.4177.7170.10.9111.5T289 D414 E491 I496T289-R494 WeakPolarHBondContact OG1-CA 3.31Å; D414-R494 IonicContact OD2-CZ 3.74Å; D414-R494 IonicContact OD2-NE 3.72Å; D414-R494 IonicContact OD2-NH2 3.67Å; D414-R494 PolarHBondContact OD2-NH2 2.59Å; E491-R494 HydrophobicContact CB-CG 4.27Å; E491-R494 PolarHBondContact O-N 3.07Å; E491-R494 IonicContact OE2-NE 3.98Å; E491-R494 IonicContact OE2-NH2 2.59Å; R494-I496 HydrophobicContact CB-CG1 4.38Å; R494-I496 PolarHBondContact O-N 3.27Å
495V76.9Confident58Low58 Ų5880.9 Ų80.935%0.35242%0.419SS..  trans-84.1111168.5-170.10000108.2D287 F288 T289 C290 D493D287-V495 WeakPolarHBondContact O-CB 3.39Å; D287-V495 WeakPolarHBondContact O-CG2 3.25Å; F288-V495 CarbonylContact C-O 3.54Å; F288-V495 WeakPolarHBondContact CA-O 3.28Å; F288-V495 HydrophobicContact CD1-CB 4.47Å; F288-V495 HydrophobicContact CD1-CG1 3.65Å; F288-V495 HydrophobicContact CE1-CG1 4.01Å; F288-V495 HydrophobicContact CG-CG1 4.42Å; T289-V495 PolarHBondContact N-O 3.29Å; T289-V495 PolarHBondContact OG1-N 3.45Å; C290-V495 PolarHBondContact N-O 3.38Å; D493-V495 PolarHBondContact O-N 3.02Å
496I77.9Confident57.2Low44 Ų4479 Ų7923%0.22642%0.418CS..EExtended strand (participates in β ladder)trans-100.2122.5-170.6-64170.6000110.2C290 R292 R494 D498C290-I496 HydrophobicContact CB-CG1 4.04Å; R292-I496 HydrophobicContact CB-CG2 3.48Å; R292-I496 VanDerWaalsContact CB-CG2 3.48Å; R494-I496 HydrophobicContact CB-CG1 4.38Å; R494-I496 PolarHBondContact O-N 3.27Å; I496-D498 PolarHBondContact O-N 3.49Å
497L81.1Confident56.4Low5 Ų576.9 Ų76.93%0.02641%0.412CS..EExtended strand (participates in β ladder)trans-82.6108.2166.5-179.157.4000108.7I282 W283 F288 C290 F291 R292 F300 A448I282-L497 HydrophobicContact CD1-CD1 3.56Å; I282-L497 HydrophobicContact CG1-CD1 3.68Å; I282-L497 HydrophobicContact CG2-CD1 4.22Å; W283-L497 HydrophobicContact CE3-CD2 3.88Å; W283-L497 HydrophobicContact CZ3-CD2 3.81Å; F288-L497 HydrophobicContact CB-CB 4.13Å; F288-L497 HydrophobicContact CD1-CB 3.62Å; F288-L497 HydrophobicContact CD1-CD1 4.49Å; F288-L497 VanDerWaalsContact CD1-N 3.3Å; F288-L497 HydrophobicContact CD2-CB 4.2Å; F288-L497 HydrophobicContact CD2-CD1 4.3Å; F288-L497 HydrophobicContact CD2-CD2 4.48Å; F288-L497 HydrophobicContact CE1-CB 4.02Å; F288-L497 HydrophobicContact CE1-CD1 4.13Å; F288-L497 HydrophobicContact CE2-CD1 3.94Å; F288-L497 HydrophobicContact CG-CB 3.72Å; F288-L497 HydrophobicContact CZ-CB 4.48Å; F288-L497 HydrophobicContact CZ-CD1 3.85Å; C290-L497 PolarHBondContact O-N 2.86Å; F291-L497 CarbonylContact C-O 3.55Å; F291-L497 WeakPolarHBondContact CA-O 3.09Å; F291-L497 HydrophobicContact CD2-CB 4.2Å; F291-L497 HydrophobicContact CD2-CD2 3.97Å; F291-L497 HydrophobicContact CD2-CG 3.91Å; F291-L497 WeakPolarHBondContact CD2-O 3.42Å; F291-L497 HydrophobicContact CE2-CD2 4.46Å; F291-L497 HydrophobicContact CE2-CG 4.35Å; R292-L497 PolarHBondContact N-O 2.91Å; F300-L497 HydrophobicContact CZ-CB 4.5Å; A448-L497 HydrophobicContact CB-CD2 3.94Å
498D79.3Confident55.8Low76 Ų7673.7 Ų73.741%0.40640%0.401SS..EExtended strand (participates in β ladder)trans-71.6144.4172.9-77.4-52.7000111.1R292 I496 P500 N504R292-D498 WeakPolarHBondContact CD-OD1 3.26Å; R292-D498 IonicContact CZ-OD1 3.45Å; R292-D498 IonicContact NE-OD1 3.49Å; R292-D498 IonicContact NH1-OD1 3.59Å; R292-D498 PolarHBondContact NH1-OD1 2.81Å; R292-D498 IonicContact NH1-OD2 3.56Å; R292-D498 PolarHBondContact NH1-OD2 2.77Å; I496-D498 PolarHBondContact O-N 3.49Å; D498-P500 WeakPolarHBondContact O-CD 3.49Å; D498-N504 PolarHBondContact OD1-ND2 3.43Å
499C77.4Confident55.2Low7 Ų773.5 Ų73.55%0.04740%0.404CS..  trans-60.1122.2-178.4178.30000111.2F291 R292 C293 H456 M501 E502 C503 N504F291-C499 HydrophobicContact CE1-CB 4.22Å; F291-C499 HydrophobicContact CE2-CB 4.21Å; F291-C499 HydrophobicContact CZ-CB 3.57Å; R292-C499 VanDerWaalsContact O-CB 3.28Å; R292-C499 WeakPolarHBondContact O-CB 3.13Å; R292-C499 PolarHBondContact O-N 2.83Å; C293-C499 HydrophobicContact CB-CB 3.81Å; H456-C499 PolarHBondContact NE2-SG 2.9Å; C499-M501 PolarHBondContact O-N 2.84Å; C499-E502 PolarHBondContact O-N 2.75Å; C499-C503 HydrophobicContact CB-CB 4.37Å; C499-N504 PolarHBondContact N-ND2 3.46Å
500P65.4Low54.5Low51 Ų5175 Ų7533%0.33141%0.405SS..THydrogen-bonded Turntrans-72.7-14.6-176.926.2-30.4000113.1W283 D498 E502W283-P500 HydrophobicContact CH2-CG 3.83Å; W283-P500 HydrophobicContact CZ2-CG 3.41Å; W283-P500 VanDerWaalsContact CZ2-CG 3.41Å; D498-P500 WeakPolarHBondContact O-CD 3.49Å; P500-E502 PolarHBondContact O-N 2.84Å
501M66.1Low53.6Low66 Ų6668.1 Ų68.133%0.32538%0.383SS..THydrogen-bonded Turntrans-72.311.7173.1-63-61.5-56.100113F271 F452 Y459 C499 C503F271-M501 HydrophobicContact CZ-SD 3.98Å; F452-M501 HydrophobicContact CE2-CG 3.62Å; F452-M501 HydrophobicContact CZ-CG 3.91Å; F452-M501 HydrophobicContact CZ-SD 4.44Å; Y459-M501 HydrophobicContact CE1-SD 4.47Å; Y459-M501 HydrophobicContact CE2-CE 4.12Å; Y459-M501 HydrophobicContact CE2-SD 4.41Å; Y459-M501 WeakPolarHBondContact OH-CE 3.37Å; C499-M501 PolarHBondContact O-N 2.84Å; M501-C503 VanDerWaalsContact CB-SG 3.55Å; M501-C503 PolarHBondContact O-N 3.44Å
502E58Low52.4Low109 Ų10967.6 Ų67.651%0.50940%0.397SS..THydrogen-bonded Turntrans55.421.4-177.6-52.7-166.9163.700113.4C499 P500 N504 K505C499-E502 PolarHBondContact O-N 2.75Å; P500-E502 PolarHBondContact O-N 2.84Å; E502-N504 PolarHBondContact O-N 2.97Å; E502-K505 HydrophobicContact CB-CB 4.17Å; E502-K505 HydrophobicContact CB-CD 3.9Å; E502-K505 HydrophobicContact CB-CG 3.89Å; E502-K505 HydrophobicContact CG-CD 4.08Å; E502-K505 HydrophobicContact CG-CG 4.43Å; E502-K505 WeakPolarHBondContact O-CA 2.92Å; E502-K505 VanDerWaalsContact O-CB 3.28Å; E502-K505 WeakPolarHBondContact O-CB 3.1Å; E502-K505 PolarHBondContact O-N 3.06Å; E502-K505 WeakPolarHBondContact OE1-CE 3.47Å; E502-K505 IonicContact OE1-NZ 3.42Å; E502-K505 PolarHBondContact OE1-NZ 3.28Å; E502-K505 VanDerWaalsContact OE2-CD 3.29Å; E502-K505 WeakPolarHBondContact OE2-CD 2.85Å; E502-K505 VanDerWaalsContact OE2-CE 3.27Å; E502-K505 WeakPolarHBondContact OE2-CE 3.04Å; E502-K505 IonicContact OE2-NZ 3.65Å; E502-K505 PolarHBondContact OE2-NZ 2.78Å
503C59.9Low51.4Low45 Ų4566.6 Ų66.630%0.30438%0.384SS..THydrogen-bonded Turntrans-65.7-22.5178.1-64.40000111.7C293 C294 H456 C499 M501C293-C503 VanDerWaalsContact SG-CB 3.56Å; C294-C503 PolarHBondContact SG-O 3.09Å; H456-C503 PolarHBondContact CE1-SG 2.81Å; C499-C503 HydrophobicContact CB-CB 4.37Å; M501-C503 VanDerWaalsContact CB-SG 3.55Å; M501-C503 PolarHBondContact O-N 3.44Å
504N50.1Low50Low37 Ų3766.9 Ų66.920%0.19840%0.399CS..THydrogen-bonded Turntrans-82.8-13.6171.1-67.5-3.7000113.2R292 C293 C294 D498 C499 E502 S506R292-N504 WeakPolarHBondContact CG-ND2 3Å; R292-N504 PolarHBondContact O-ND2 3.5Å; R292-N504 PolarHBondContact O-OD1 3.19Å; C293-N504 VanDerWaalsContact C-OD1 3.27Å; C293-N504 WeakPolarHBondContact CA-OD1 3.47Å; C294-N504 WeakPolarHBondContact CA-OD1 3.24Å; C294-N504 PolarHBondContact N-OD1 3.08Å; D498-N504 PolarHBondContact OD1-ND2 3.43Å; C499-N504 PolarHBondContact N-ND2 3.46Å; E502-N504 PolarHBondContact O-N 2.97Å; N504-S506 PolarHBondContact O-N 3.36Å
505K40.5Very low48.2Very low123 Ų12369 Ų6954%0.53543%0.427SS..  trans-74.375.6166.2-61.3-166.3-166.7168.70107.8E502 S507E502-K505 HydrophobicContact CB-CB 4.17Å; E502-K505 HydrophobicContact CB-CD 3.9Å; E502-K505 HydrophobicContact CB-CG 3.89Å; E502-K505 HydrophobicContact CG-CD 4.08Å; E502-K505 HydrophobicContact CG-CG 4.43Å; E502-K505 WeakPolarHBondContact O-CA 2.92Å; E502-K505 VanDerWaalsContact O-CB 3.28Å; E502-K505 WeakPolarHBondContact O-CB 3.1Å; E502-K505 PolarHBondContact O-N 3.06Å; E502-K505 WeakPolarHBondContact OE1-CE 3.47Å; E502-K505 IonicContact OE1-NZ 3.42Å; E502-K505 PolarHBondContact OE1-NZ 3.28Å; E502-K505 VanDerWaalsContact OE2-CD 3.29Å; E502-K505 WeakPolarHBondContact OE2-CD 2.85Å; E502-K505 VanDerWaalsContact OE2-CE 3.27Å; E502-K505 WeakPolarHBondContact OE2-CE 3.04Å; E502-K505 IonicContact OE2-NZ 3.65Å; E502-K505 PolarHBondContact OE2-NZ 2.78Å; K505-S507 VanDerWaalsContact C-N 3.3Å; K505-S507 PolarHBondContact O-N 3.43Å; K505-S507 VanDerWaalsContact O-N 3.12Å
506S33.7Very low46.5Very low43 Ų4369.5 Ų69.530%0.30144%0.444SS..SBend-53.8115129.749.30000105.9N504 P508 S526N504-S506 PolarHBondContact O-N 3.36Å; S506-P508 VanDerWaalsContact O-N 3.16Å; S506-S526 WeakPolarHBondContact CB-OG 3.46Å; S506-S526 PolarHBondContact OG-OG 3.39Å; S506-S526 VanDerWaalsContact OG-OG 3.12Å
507S25.8Very low45.2Very low68 Ų6869.8 Ų69.848%0.47645%0.45SS..SBendtrans-22.9119.8171.1-40.50000108.7K505 I509K505-S507 VanDerWaalsContact C-N 3.3Å; K505-S507 PolarHBondContact O-N 3.43Å; K505-S507 VanDerWaalsContact O-N 3.12Å; S507-I509 PolarHBondContact O-N 3.13Å
508P26.3Very low44.5Very low89 Ų8974.4 Ų74.458%0.57847%0.474SS*.  trans-52.8111.3-160.827.3-36.5000107.7S506 V510 G511S506-P508 VanDerWaalsContact O-N 3.16Å; P508-V510 PolarHBondContact O-N 3.33Å; P508-G511 PolarHBondContact O-N 2.85Å
509I32.8Very low43.9Very low70 Ų7072.3 Ų72.336%0.35946%0.462SS..THydrogen-bonded Turntrans-70.891.1175.6-65.7152.7000102.5S507 S526 S527S507-I509 PolarHBondContact O-N 3.13Å; I509-S526 WeakPolarHBondContact CD1-O 3.22Å; I509-S527 VanDerWaalsContact CD1-CA 3.44Å
510V28.8Very low43.7Very low108 Ų10873.9 Ų73.966%0.65547%0.471SS*.THydrogen-bonded Turntrans71.960.1-164-1580000113.1P508 A512P508-V510 PolarHBondContact O-N 3.33Å; V510-A512 PolarHBondContact O-N 2.96Å
511G25.4Very low43.8Very low34 Ų3473.7 Ų73.735%0.35147%0.467SS..  trans-65.1120.3141.300000104.9P508 L513P508-G511 PolarHBondContact O-N 2.85Å; G511-L513 PolarHBondContact O-N 3.34Å
512A23.4Very low44.2Very low98 Ų9870.6 Ų70.681%0.8145%0.451SS*.  trans-56.789.9157.600000105.8V510 A514V510-A512 PolarHBondContact O-N 2.96Å; A512-A514 VanDerWaalsContact C-N 3.35Å; A512-A514 PolarHBondContact O-N 3.5Å
513L27.1Very low44.5Very low96 Ų9666.2 Ų66.250%0.50344%0.436SS..  trans-54.1113.6156-87.9150.7000103.1G511 S515 S517G511-L513 PolarHBondContact O-N 3.34Å; L513-S515 PolarHBondContact O-N 3.43Å; L513-S517 VanDerWaalsContact CB-OG 3.31Å; L513-S517 WeakPolarHBondContact CB-OG 3.13Å; L513-S517 WeakPolarHBondContact CD1-OG 3.49Å; L513-S517 WeakPolarHBondContact CD2-OG 3.4Å
514A28.4Very low44.7Very low93 Ų9365.5 Ų65.577%0.76943%0.432SS*.  trans-39.8114.1169.400000107.6A512 G516A512-A514 VanDerWaalsContact C-N 3.35Å; A512-A514 PolarHBondContact O-N 3.5Å; A514-G516 PolarHBondContact O-N 2.92Å
515S28.6Very low45.4Very low130 Ų13066 Ų6691%0.90944%0.437SS*.SBendtrans2.190.6167.2174.70000114.5L513L513-S515 PolarHBondContact O-N 3.43Å
516G41.2Very low46.5Very low68 Ų6861.9 Ų61.970%0.70142%0.424SS*.  trans168-25.617000000119.5A514A514-G516 PolarHBondContact O-N 2.92Å
517S49.6Very low48.4Very low50 Ų5060.2 Ų60.235%0.3541%0.412SS..  trans-95.1118.4-171.434.30000113.7L513 F519L513-S517 VanDerWaalsContact CB-OG 3.31Å; L513-S517 WeakPolarHBondContact CB-OG 3.13Å; L513-S517 WeakPolarHBondContact CD1-OG 3.49Å; L513-S517 WeakPolarHBondContact CD2-OG 3.4Å; S517-F519 VanDerWaalsContact C-N 3.27Å; S517-F519 PolarHBondContact O-N 2.92Å; S517-F519 VanDerWaalsContact O-N 3.13Å
518N66.7Low51.1Low102 Ų10257.7 Ų57.755%0.54539%0.394SS..  trans-76.513.1-171.8-74.3-39.8000115.8Q609 A647N518-Q609 VanDerWaalsContact O-CB 3.32Å; N518-Q609 WeakPolarHBondContact O-CB 3.31Å; N518-Q609 PolarHBondContact O-N 3.3Å; N518-A647 HydrophobicContact CB-CB 3.48Å; N518-A647 VanDerWaalsContact CB-CB 3.48Å
519F67.7Low53.9Low32 Ų3253.9 Ų53.914%0.1437%0.368CS..EExtended strand (participates in β ladder)trans-135.5150.2-174.5-63.3-86.4000113.5S517 Q609 L611 A647 L650 W654S517-F519 VanDerWaalsContact C-N 3.27Å; S517-F519 PolarHBondContact O-N 2.92Å; S517-F519 VanDerWaalsContact O-N 3.13Å; F519-Q609 CarbonylContact C-O 3.54Å; F519-Q609 WeakPolarHBondContact CA-O 3.34Å; F519-Q609 HydrophobicContact CD1-CB 3.28Å; F519-Q609 HydrophobicContact CD1-CG 4.19Å; F519-Q609 HydrophobicContact CE1-CB 3.51Å; F519-Q609 HydrophobicContact CE1-CG 3.99Å; F519-Q609 HydrophobicContact CG-CB 4.15Å; F519-L611 HydrophobicContact CB-CD1 3.91Å; F519-L611 HydrophobicContact CD1-CD1 3.43Å; F519-L611 VanDerWaalsContact CD1-CD1 3.43Å; F519-L611 HydrophobicContact CD1-CD2 4.34Å; F519-L611 HydrophobicContact CD1-CG 3.74Å; F519-L611 HydrophobicContact CE1-CD1 4.14Å; F519-L611 HydrophobicContact CE1-CG 4.42Å; F519-L611 HydrophobicContact CG-CD1 3.84Å; F519-A647 HydrophobicContact CE1-CB 4.36Å; F519-A647 HydrophobicContact CE2-CB 3.78Å; F519-A647 VanDerWaalsContact CZ-CA 3.46Å; F519-A647 HydrophobicContact CZ-CB 3.63Å; F519-L650 HydrophobicContact CE1-CB 4.25Å; F519-L650 HydrophobicContact CE1-CD1 3.78Å; F519-L650 HydrophobicContact CE2-CD1 4.14Å; F519-L650 HydrophobicContact CZ-CB 4.15Å; F519-L650 HydrophobicContact CZ-CD1 3.27Å; F519-L650 HydrophobicContact CZ-CG 4.27Å; F519-W654 HydrophobicContact CE1-CH2 4.38Å; F519-W654 HydrophobicContact CE1-CZ3 4.39Å
520V71.3Confident56.3Low40 Ų4050.8 Ų50.824%0.24235%0.353CS..EExtended strand (participates in β ladder)trans-129.4122.9170.8171.60000108.8L529 T605 Q609 L610 L611V520-L529 HydrophobicContact CG1-CD1 3.92Å; V520-T605 HydrophobicContact CB-CG2 4.45Å; V520-T605 HydrophobicContact CG1-CG2 4.05Å; V520-T605 HydrophobicContact CG2-CG2 4.28Å; V520-Q609 PolarHBondContact N-O 3.1Å; V520-L610 HydrophobicContact CB-CD2 3.77Å; V520-L610 HydrophobicContact CG1-CD2 4.15Å; V520-L610 HydrophobicContact CG2-CD2 4.46Å; V520-L610 CarbonylContact O-C 3.42Å; V520-L610 WeakPolarHBondContact O-CA 3.4Å; V520-L611 PolarHBondContact O-N 3.3Å
521L69.1Low58.9Low46 Ų4647 Ų4724%0.24133%0.331CS..EExtended strand (participates in β ladder)trans-83.5130.9178.4-67.8159.5000111.5L611 V613 E633L521-L611 CarbonylContact C-O 3.59Å; L521-L611 WeakPolarHBondContact CA-O 3.4Å; L521-L611 HydrophobicContact CD2-CB 3.5Å; L521-L611 HydrophobicContact CD2-CD1 3.93Å; L521-L611 HydrophobicContact CD2-CG 4.36Å; L521-L611 HydrophobicContact CG-CB 4.38Å; L521-V613 HydrophobicContact CB-CG2 4.36Å; L521-V613 HydrophobicContact CD2-CG2 3.51Å; L521-V613 HydrophobicContact CG-CG2 4.43Å; L521-E633 HydrophobicContact CD1-CB 3.27Å; L521-E633 HydrophobicContact CD1-CG 3.43Å; L521-E633 VanDerWaalsContact CD1-CG 3.43Å
522V74Confident61.4Low1 Ų147.9 Ų47.91%0.00633%0.326CS..EExtended strand (participates in β ladder)trans-113.999.3-178.7178.50000107.5L529 L610 L611 V612 V613 L675V522-L529 HydrophobicContact CB-CB 4.18Å; V522-L529 VanDerWaalsContact CG1-C 3.41Å; V522-L529 HydrophobicContact CG1-CB 3.57Å; V522-L529 WeakPolarHBondContact CG1-O 3.31Å; V522-L529 HydrophobicContact CG2-CB 3.75Å; V522-L529 HydrophobicContact CG2-CD1 3.81Å; V522-L529 HydrophobicContact CG2-CG 4.41Å; V522-L610 HydrophobicContact CG2-CB 4.3Å; V522-L611 PolarHBondContact N-O 2.8Å; V522-V612 HydrophobicContact CB-CB 4.44Å; V522-V612 HydrophobicContact CB-CG2 3.95Å; V522-V612 HydrophobicContact CG1-CG1 4.41Å; V522-V612 HydrophobicContact CG1-CG2 4.09Å; V522-V612 CarbonylContact O-C 3.54Å; V522-V612 VanDerWaalsContact O-CA 3.22Å; V522-V612 WeakPolarHBondContact O-CA 3.36Å; V522-V613 PolarHBondContact O-N 3.07Å; V522-L675 HydrophobicContact CG1-CD1 4.01Å; V522-L675 HydrophobicContact CG2-CD1 4.18Å
523G63.8Low64.1Low18 Ų1844.8 Ų44.819%0.18630%0.295CS..  trans-169.2-23.7-17900000115.4V613G523-V613 WeakPolarHBondContact CA-O 3.49Å
524S63.6Low66.8Low30 Ų3044.2 Ų44.221%0.2130%0.296CS..  trans-61.7130174.2-179.60000110.7S526 S527 S530S524-S526 PolarHBondContact O-N 3.47Å; S524-S526 PolarHBondContact OG-N 3.03Å; S524-S526 PolarHBondContact OG-OG 3.44Å; S524-S527 WeakPolarHBondContact O-CB 3.49Å; S524-S527 PolarHBondContact O-N 3.43Å; S524-S530 WeakPolarHBondContact O-CB 3.16Å; S524-S530 PolarHBondContact O-OG 3.03Å
525P64.9Low69.4Low47 Ų4739.9 Ų39.931%0.30526%0.26SS..THydrogen-bonded Turntrans-60.7-15.3175.2-20.230.6000113.9E532P525-E532 HydrophobicContact CB-CB 4.12Å; P525-E532 WeakPolarHBondContact CG-OE2 3.37Å
526S64.7Low72Confident37 Ų3737.9 Ų37.926%0.25924%0.243SC..THydrogen-bonded Turntrans-90.6-12.8173.461.60000113.8S506 I509 S524 F533S506-S526 WeakPolarHBondContact CB-OG 3.46Å; S506-S526 PolarHBondContact OG-OG 3.39Å; S506-S526 VanDerWaalsContact OG-OG 3.12Å; I509-S526 WeakPolarHBondContact CD1-O 3.22Å; S524-S526 PolarHBondContact O-N 3.47Å; S524-S526 PolarHBondContact OG-N 3.03Å; S524-S526 PolarHBondContact OG-OG 3.44Å; S526-F533 WeakPolarHBondContact O-CD2 3.17Å; S526-F533 WeakPolarHBondContact O-CE2 3.29Å
527S73.3Confident74.2Confident7 Ų734.8 Ų34.85%0.04921%0.21CC..SBendtrans-76.4126.8179.3177.60000110.1I509 S524 L529 S530 F533I509-S527 VanDerWaalsContact CD1-CA 3.44Å; S524-S527 WeakPolarHBondContact O-CB 3.49Å; S524-S527 PolarHBondContact O-N 3.43Å; S527-L529 PolarHBondContact O-N 3.2Å; S527-L529 PolarHBondContact OG-N 3.05Å; S527-S530 WeakPolarHBondContact O-CB 3.42Å; S527-S530 PolarHBondContact O-N 3.42Å; S527-F533 VanDerWaalsContact O-CB 3.28Å; S527-F533 WeakPolarHBondContact O-CB 3.04Å; S527-F533 WeakPolarHBondContact O-CD2 3.37Å
528P83.5Confident75.9Confident15 Ų1536.8 Ų36.810%0.09722%0.216CC..THydrogen-bonded Turntrans-55.3-19.3172.5-2636000113.7F533 K591 L597 A601P528-F533 HydrophobicContact CB-CD1 4.4Å; P528-F533 HydrophobicContact CB-CE1 4.2Å; P528-F533 HydrophobicContact CB-CE2 4.43Å; P528-F533 HydrophobicContact CB-CZ 4.22Å; P528-F533 HydrophobicContact CG-CE1 4.49Å; P528-F533 HydrophobicContact CG-CE2 4.04Å; P528-F533 HydrophobicContact CG-CZ 4.01Å; P528-K591 VanDerWaalsContact O-CE 3.28Å; P528-K591 WeakPolarHBondContact O-CE 3.14Å; P528-K591 PolarHBondContact O-NZ 2.87Å; P528-L597 HydrophobicContact CB-CD2 3.64Å; P528-L597 HydrophobicContact CG-CD2 3.45Å; P528-L597 VanDerWaalsContact CG-CD2 3.45Å; P528-A601 HydrophobicContact CB-CB 3.62Å; P528-A601 HydrophobicContact CG-CB 3.98Å
529L84.6Confident76.7Confident10 Ų1032.6 Ų32.65%0.05219%0.194CC..THydrogen-bonded Turntrans-75.2-24.5176.3-55.7-179.6000113.3V520 V522 S527 F592 A601 L602 T605V520-L529 HydrophobicContact CG1-CD1 3.92Å; V522-L529 HydrophobicContact CB-CB 4.18Å; V522-L529 VanDerWaalsContact CG1-C 3.41Å; V522-L529 HydrophobicContact CG1-CB 3.57Å; V522-L529 WeakPolarHBondContact CG1-O 3.31Å; V522-L529 HydrophobicContact CG2-CB 3.75Å; V522-L529 HydrophobicContact CG2-CD1 3.81Å; V522-L529 HydrophobicContact CG2-CG 4.41Å; S527-L529 PolarHBondContact O-N 3.2Å; S527-L529 PolarHBondContact OG-N 3.05Å; L529-F592 HydrophobicContact CD2-CE1 3.88Å; L529-F592 HydrophobicContact CD2-CZ 4.14Å; L529-A601 HydrophobicContact CD2-CB 4.18Å; L529-L602 HydrophobicContact CD2-CB 4.06Å; L529-L602 HydrophobicContact CD2-CD1 4.13Å; L529-T605 HydrophobicContact CD1-CG2 3.67Å
530S82.8Confident77.3Confident5 Ų536.4 Ų36.44%0.03522%0.216CC..SBendtrans-76.1146.3-171.2178.10000114.1S524 S527 E532 F533 K591S524-S530 WeakPolarHBondContact O-CB 3.16Å; S524-S530 PolarHBondContact O-OG 3.03Å; S527-S530 WeakPolarHBondContact O-CB 3.42Å; S527-S530 PolarHBondContact O-N 3.42Å; S530-E532 PolarHBondContact O-N 2.55Å; S530-E532 PolarHBondContact OG-N 3.16Å; S530-F533 VanDerWaalsContact O-CB 3.32Å; S530-F533 WeakPolarHBondContact O-CB 3.46Å; S530-F533 PolarHBondContact O-N 3.32Å; S530-K591 PolarHBondContact O-NZ 3.48Å
531S82.9Confident77.6Confident27 Ų2742.3 Ų42.319%0.18925%0.246CC..THydrogen-bonded Turntrans-63-25.3174.157.30000113.2V547 E548S531-V547 PolarHBondContact O-N 3.33Å; S531-E548 WeakPolarHBondContact CB-OE1 3.32Å; S531-E548 PolarHBondContact O-N 3.07Å; S531-E548 PolarHBondContact OG-OE1 3.07Å
532E77.4Confident78.2Confident54 Ų5444.3 Ų44.325%0.25225%0.254SS..THydrogen-bonded Turntrans-84.4-8.5178.4-76.6-171.7170.300113.8P525 S530 P534 E548 S617P525-E532 HydrophobicContact CB-CB 4.12Å; P525-E532 WeakPolarHBondContact CG-OE2 3.37Å; S530-E532 PolarHBondContact O-N 2.55Å; S530-E532 PolarHBondContact OG-N 3.16Å; E532-P534 WeakPolarHBondContact O-CD 3.49Å; E532-E548 HydrophobicContact CB-CG 4.49Å; E532-E548 HydrophobicContact CG-CG 3.54Å; E532-S617 PolarHBondContact OE1-OG 3.24Å
533F81.8Confident78.7Confident33 Ų3347.9 Ų47.915%0.14528%0.279CS..SBendtrans-62.8128.7179.4-174.6-104.1000111S526 S527 P528 S530 S535 S546 L597S526-F533 WeakPolarHBondContact O-CD2 3.17Å; S526-F533 WeakPolarHBondContact O-CE2 3.29Å; S527-F533 VanDerWaalsContact O-CB 3.28Å; S527-F533 WeakPolarHBondContact O-CB 3.04Å; S527-F533 WeakPolarHBondContact O-CD2 3.37Å; P528-F533 HydrophobicContact CB-CD1 4.4Å; P528-F533 HydrophobicContact CB-CE1 4.2Å; P528-F533 HydrophobicContact CB-CE2 4.43Å; P528-F533 HydrophobicContact CB-CZ 4.22Å; P528-F533 HydrophobicContact CG-CE1 4.49Å; P528-F533 HydrophobicContact CG-CE2 4.04Å; P528-F533 HydrophobicContact CG-CZ 4.01Å; S530-F533 VanDerWaalsContact O-CB 3.32Å; S530-F533 WeakPolarHBondContact O-CB 3.46Å; S530-F533 PolarHBondContact O-N 3.32Å; F533-S535 PolarHBondContact O-N 2.95Å; F533-S535 PolarHBondContact O-OG 3.22Å; F533-S546 WeakPolarHBondContact O-CB 3.47Å; F533-L597 HydrophobicContact CE1-CD2 3.88Å; F533-L597 HydrophobicContact CZ-CD2 3.68Å
534P83.1Confident79.9Confident83 Ų8347.1 Ų47.154%0.53927%0.27SS..  trans-65.399.1175.4-18.831.7000110.7E532 G545E532-P534 WeakPolarHBondContact O-CD 3.49Å; P534-G545 CarbonylContact C-O 3.53Å
535S81.8Confident80.8Confident2 Ų247.2 Ų47.21%0.01428%0.276CS..  trans-141.2108.5177.756.20000108.7F533 F537 G545 K591F533-S535 PolarHBondContact O-N 2.95Å; F533-S535 PolarHBondContact O-OG 3.22Å; S535-F537 VanDerWaalsContact O-CD1 3.25Å; S535-F537 WeakPolarHBondContact O-CD1 3.3Å; S535-F537 PolarHBondContact O-N 3.17Å; S535-G545 CarbonylContact C-O 3.45Å; S535-G545 PolarHBondContact N-O 3.26Å; S535-G545 CarbonylContact O-C 3.46Å; S535-K591 WeakPolarHBondContact OG-CD 3.16Å; S535-K591 WeakPolarHBondContact OG-CE 3.3Å; S535-K591 VanDerWaalsContact OG-CG 3.29Å; S535-K591 WeakPolarHBondContact OG-CG 3.44Å
536T83.4Confident82Confident89 Ų8945.8 Ų45.855%0.54627%0.267SS..  trans-67127.8177.5-490000110.5C543 Y544T536-C543 WeakPolarHBondContact CG2-SG 3.41Å; T536-Y544 VanDerWaalsContact CA-O 3.29Å; T536-Y544 WeakPolarHBondContact CA-O 3.38Å
537F88.1Confident83.1Confident2 Ų244 Ų441%0.00925%0.254CS..EExtended strand (participates in β ladder)trans-139.9158.9170.659.8-91.9000110.3S535 T539 Y544 S546 V547 Y550 A587 A590 K591 Q594S535-F537 VanDerWaalsContact O-CD1 3.25Å; S535-F537 WeakPolarHBondContact O-CD1 3.3Å; S535-F537 PolarHBondContact O-N 3.17Å; F537-T539 HydrophobicContact CD2-CG2 4.07Å; F537-T539 HydrophobicContact CE2-CG2 4.27Å; F537-Y544 HydrophobicContact CE2-CD2 4.23Å; F537-Y544 HydrophobicContact CE2-CG 4.41Å; F537-Y544 PolarHBondContact N-O 2.88Å; F537-Y544 VanDerWaalsContact N-O 3.12Å; F537-Y544 PolarHBondContact O-N 3.39Å; F537-S546 VanDerWaalsContact CE1-C 3.46Å; F537-V547 HydrophobicContact CE1-CG2 4.11Å; F537-V547 HydrophobicContact CZ-CG2 4.37Å; F537-Y550 HydrophobicContact CE2-CD2 4.26Å; F537-Y550 HydrophobicContact CE2-CG 4.38Å; F537-Y550 HydrophobicContact CZ-CG 4.45Å; F537-A587 HydrophobicContact CE2-CB 3.87Å; F537-A587 HydrophobicContact CZ-CB 3.69Å; F537-A590 HydrophobicContact CB-CB 4.41Å; F537-A590 HydrophobicContact CD2-CB 3.75Å; F537-A590 HydrophobicContact CE2-CB 4.42Å; F537-A590 HydrophobicContact CG-CB 4.27Å; F537-K591 HydrophobicContact CD1-CB 3.76Å; F537-K591 HydrophobicContact CD1-CG 4.47Å; F537-K591 HydrophobicContact CE1-CB 4.15Å; F537-K591 HydrophobicContact CG-CB 4.32Å; F537-Q594 HydrophobicContact CB-CB 4.4Å
538I85.2Confident83.8Confident92 Ų9244 Ų4447%0.47225%0.254SS..EExtended strand (participates in β ladder)trans-110.8126.8-177.5-56.1172.9000108.6Q542 Q594I538-Q542 WeakPolarHBondContact CA-O 3.44Å; I538-Q594 PolarHBondContact O-NE2 2.94Å; I538-Q594 PolarHBondContact O-OE1 2.98Å
539T83.9Confident83.9Confident14 Ų1445.5 Ų45.59%0.08626%0.261CS..EExtended strand (participates in β ladder)trans-138.7133.1171.642.10000107.9F537 D541 Q542 Y544 Y550 E586 A590F537-T539 HydrophobicContact CD2-CG2 4.07Å; F537-T539 HydrophobicContact CE2-CG2 4.27Å; T539-D541 VanDerWaalsContact C-N 3.3Å; T539-D541 PolarHBondContact O-N 3.09Å; T539-Q542 PolarHBondContact N-O 3.08Å; T539-Q542 PolarHBondContact O-N 2.94Å; T539-Q542 VanDerWaalsContact O-N 3.12Å; T539-Y544 VanDerWaalsContact OG1-CD2 3.29Å; T539-Y544 WeakPolarHBondContact OG1-CD2 3.23Å; T539-Y544 WeakPolarHBondContact OG1-CE2 3.5Å; T539-Y550 WeakPolarHBondContact OG1-CD2 3.48Å; T539-Y550 VanDerWaalsContact OG1-CE2 3.28Å; T539-Y550 WeakPolarHBondContact OG1-CE2 3.34Å; T539-E586 HydrophobicContact CG2-CG 4.48Å; T539-A590 HydrophobicContact CG2-CB 3.34Å
540N80.8Confident84.2Confident113 Ų11345.1 Ų45.160%0.60426%0.259SS*.THydrogen-bonded Turntrans52.444.9-177.4-56-50.2000113.3Q542 E586N540-Q542 PolarHBondContact O-N 3.1Å; N540-E586 PolarHBondContact ND2-OE1 2.94Å
541D78Confident84.4Confident164 Ų16444.9 Ų44.988%0.87726%0.257SS*.THydrogen-bonded Turntrans58.312.7-178.5-56.4-41.1000115.5T539T539-D541 VanDerWaalsContact C-N 3.3Å; T539-D541 PolarHBondContact O-N 3.09Å
542Q81.6Confident84.4Confident88 Ų8848 Ų4841%0.41127%0.267SS..EExtended strand (participates in β ladder)trans-112.7144.5175-69.1-171.2-1.700111I538 T539 N540 Y544 E557I538-Q542 WeakPolarHBondContact CA-O 3.44Å; T539-Q542 PolarHBondContact N-O 3.08Å; T539-Q542 PolarHBondContact O-N 2.94Å; T539-Q542 VanDerWaalsContact O-N 3.12Å; N540-Q542 PolarHBondContact O-N 3.1Å; Q542-Y544 HydrophobicContact CB-CE2 3.61Å; Q542-Y544 WeakPolarHBondContact O-CD2 3.34Å; Q542-Y544 WeakPolarHBondContact O-CE2 3.37Å; Q542-Y544 PolarHBondContact OE1-OH 3.28Å; Q542-E557 PolarHBondContact OE1-OE1 3.34Å
543C84Confident84.9Confident76 Ų7648.7 Ų48.751%0.51427%0.269SS..EExtended strand (participates in β ladder)trans-98.7130.2-177.4-173.90000110.4T536T536-C543 WeakPolarHBondContact CG2-SG 3.41Å
544Y88Confident85.1Confident1 Ų148.8 Ų48.80%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-125.6137.1-178.1-58.6-85.7000110T536 F537 T539 Q542 Y550 K553 K554T536-Y544 VanDerWaalsContact CA-O 3.29Å; T536-Y544 WeakPolarHBondContact CA-O 3.38Å; F537-Y544 HydrophobicContact CE2-CD2 4.23Å; F537-Y544 HydrophobicContact CE2-CG 4.41Å; F537-Y544 PolarHBondContact N-O 2.88Å; F537-Y544 VanDerWaalsContact N-O 3.12Å; F537-Y544 PolarHBondContact O-N 3.39Å; T539-Y544 VanDerWaalsContact OG1-CD2 3.29Å; T539-Y544 WeakPolarHBondContact OG1-CD2 3.23Å; T539-Y544 WeakPolarHBondContact OG1-CE2 3.5Å; Q542-Y544 HydrophobicContact CB-CE2 3.61Å; Q542-Y544 WeakPolarHBondContact O-CD2 3.34Å; Q542-Y544 WeakPolarHBondContact O-CE2 3.37Å; Q542-Y544 PolarHBondContact OE1-OH 3.28Å; Y544-Y550 VanDerWaalsContact CD1-CA 3.46Å; Y544-Y550 AromaticContact CD1-CD2 3.98Å; Y544-Y550 HydrophobicContact CD1-CD2 3.98Å; Y544-Y550 HydrophobicContact CD1-CG 4.36Å; Y544-Y550 AromaticContact CD2-CD2 3.67Å; Y544-Y550 HydrophobicContact CD2-CD2 3.67Å; Y544-Y550 HydrophobicContact CD2-CE2 4.49Å; Y544-Y550 AromaticContact CE1-CD2 3.89Å; Y544-Y550 HydrophobicContact CE1-CD2 3.89Å; Y544-Y550 AromaticContact CE2-CD2 3.57Å; Y544-Y550 HydrophobicContact CE2-CD2 3.57Å; Y544-Y550 HydrophobicContact CE2-CE2 4.04Å; Y544-Y550 AromaticContact CG-CD2 3.85Å; Y544-Y550 HydrophobicContact CG-CD2 3.85Å; Y544-Y550 HydrophobicContact CG-CG 4.37Å; Y544-Y550 AromaticContact CZ-CD2 3.66Å; Y544-K553 HydrophobicContact CD1-CD 3.71Å; Y544-K553 HydrophobicContact CE1-CB 4.01Å; Y544-K553 HydrophobicContact CE1-CD 3.63Å; Y544-K553 HydrophobicContact CE1-CG 4.49Å; Y544-K554 PolarHBondContact OH-NZ 2.54Å
545G83.7Confident85.1Confident32 Ų3246 Ų4633%0.3325%0.25SS..SBendtrans-80.8-19.2-173.500000114.8P534 S535 D549P534-G545 CarbonylContact C-O 3.53Å; S535-G545 CarbonylContact C-O 3.45Å; S535-G545 PolarHBondContact N-O 3.26Å; S535-G545 CarbonylContact O-C 3.46Å; G545-D549 PolarHBondContact N-OD2 3.44Å
546S89.1Confident85.1Confident17 Ų1752.2 Ų52.212%0.11928%0.279CS..SBendtrans-163.2170176.267.70000109.9F533 F537 E548 D549 Y550F533-S546 WeakPolarHBondContact O-CB 3.47Å; F537-S546 VanDerWaalsContact CE1-C 3.46Å; S546-E548 PolarHBondContact O-N 3.43Å; S546-D549 PolarHBondContact O-N 3.22Å; S546-D549 PolarHBondContact OG-N 3.01Å; S546-D549 VanDerWaalsContact OG-N 3.09Å; S546-Y550 PolarHBondContact O-N 2.96Å; S546-Y550 VanDerWaalsContact O-N 3.09Å
547V88.6Confident85.2Confident0 Ų052 Ų520%027%0.272CS..Hα-helixtrans-62.1-38.5175.4173.10000110S531 F537 Y550 V551 Y584 A587 K591S531-V547 PolarHBondContact O-N 3.33Å; F537-V547 HydrophobicContact CE1-CG2 4.11Å; F537-V547 HydrophobicContact CZ-CG2 4.37Å; V547-Y550 WeakPolarHBondContact O-CB 3.37Å; V547-Y550 PolarHBondContact O-N 3.39Å; V547-V551 HydrophobicContact CG1-CG2 4.49Å; V547-V551 VanDerWaalsContact O-CG2 3.31Å; V547-V551 WeakPolarHBondContact O-CG2 3.33Å; V547-V551 PolarHBondContact O-N 2.94Å; V547-Y584 HydrophobicContact CG1-CD1 3.6Å; V547-Y584 HydrophobicContact CG1-CE1 3.99Å; V547-Y584 HydrophobicContact CG1-CG 4.3Å; V547-A587 HydrophobicContact CB-CB 4.25Å; V547-A587 HydrophobicContact CG1-CB 3.84Å; V547-A587 HydrophobicContact CG2-CB 4.1Å; V547-K591 HydrophobicContact CG2-CB 4.24Å; V547-K591 HydrophobicContact CG2-CD 3.8Å
548E86.6Confident84.9Confident7 Ų756.2 Ų56.23%0.03329%0.291CS..Hα-helixtrans-65.4-36.9174.6-64.8-57.2147.600113.4S531 E532 S546 V551 K552 Y584 C618S531-E548 WeakPolarHBondContact CB-OE1 3.32Å; S531-E548 PolarHBondContact O-N 3.07Å; S531-E548 PolarHBondContact OG-OE1 3.07Å; E532-E548 HydrophobicContact CB-CG 4.49Å; E532-E548 HydrophobicContact CG-CG 3.54Å; S546-E548 PolarHBondContact O-N 3.43Å; E548-V551 PolarHBondContact O-N 2.89Å; E548-K552 WeakPolarHBondContact O-CB 3.3Å; E548-K552 VanDerWaalsContact O-CG 3.29Å; E548-K552 WeakPolarHBondContact O-CG 3.44Å; E548-K552 PolarHBondContact O-N 3.13Å; E548-Y584 VanDerWaalsContact OE1-CE1 3.24Å; E548-Y584 WeakPolarHBondContact OE1-CE1 3.43Å; E548-Y584 PolarHBondContact OE1-OH 2.94Å; E548-Y584 PolarHBondContact OE2-OH 2.85Å; E548-C618 PolarHBondContact OE2-SG 2.61Å
549D86.6Confident84.6Confident47 Ų4752.7 Ų52.725%0.25127%0.272SS..Hα-helixtrans-63.6-43.5174.5-179.648.1000111.3G545 S546 K552 K553G545-D549 PolarHBondContact N-OD2 3.44Å; S546-D549 PolarHBondContact O-N 3.22Å; S546-D549 PolarHBondContact OG-N 3.01Å; S546-D549 VanDerWaalsContact OG-N 3.09Å; D549-K552 PolarHBondContact O-N 3.21Å; D549-K553 WeakPolarHBondContact O-CB 3.49Å; D549-K553 PolarHBondContact O-N 2.82Å; D549-K553 WeakPolarHBondContact OD1-CE 3.5Å; D549-K553 IonicContact OD1-NZ 2.82Å; D549-K553 PolarHBondContact OD1-NZ 3.08Å; D549-K553 IonicContact OD2-NZ 3.1Å; D549-K553 PolarHBondContact OD2-NZ 3.05Å
550Y90.7Very high84.1Confident2 Ų255.8 Ų55.81%0.00830%0.299CS..Hα-helixtrans-57.5-51.7173.7173.1-88000111.7F537 T539 Y544 S546 V547 K552 K553 K554 L583 E586 A587F537-Y550 HydrophobicContact CE2-CD2 4.26Å; F537-Y550 HydrophobicContact CE2-CG 4.38Å; F537-Y550 HydrophobicContact CZ-CG 4.45Å; T539-Y550 WeakPolarHBondContact OG1-CD2 3.48Å; T539-Y550 VanDerWaalsContact OG1-CE2 3.28Å; T539-Y550 WeakPolarHBondContact OG1-CE2 3.34Å; Y544-Y550 VanDerWaalsContact CD1-CA 3.46Å; Y544-Y550 AromaticContact CD1-CD2 3.98Å; Y544-Y550 HydrophobicContact CD1-CD2 3.98Å; Y544-Y550 HydrophobicContact CD1-CG 4.36Å; Y544-Y550 AromaticContact CD2-CD2 3.67Å; Y544-Y550 HydrophobicContact CD2-CD2 3.67Å; Y544-Y550 HydrophobicContact CD2-CE2 4.49Å; Y544-Y550 AromaticContact CE1-CD2 3.89Å; Y544-Y550 HydrophobicContact CE1-CD2 3.89Å; Y544-Y550 AromaticContact CE2-CD2 3.57Å; Y544-Y550 HydrophobicContact CE2-CD2 3.57Å; Y544-Y550 HydrophobicContact CE2-CE2 4.04Å; Y544-Y550 AromaticContact CG-CD2 3.85Å; Y544-Y550 HydrophobicContact CG-CD2 3.85Å; Y544-Y550 HydrophobicContact CG-CG 4.37Å; Y544-Y550 AromaticContact CZ-CD2 3.66Å; S546-Y550 PolarHBondContact O-N 2.96Å; S546-Y550 VanDerWaalsContact O-N 3.09Å; V547-Y550 WeakPolarHBondContact O-CB 3.37Å; V547-Y550 PolarHBondContact O-N 3.39Å; Y550-K552 PolarHBondContact O-N 3.3Å; Y550-K553 PolarHBondContact O-N 3.5Å; Y550-K554 HydrophobicContact CD1-CG 4.16Å; Y550-K554 HydrophobicContact CD2-CG 4.4Å; Y550-K554 HydrophobicContact CE1-CG 3.77Å; Y550-K554 HydrophobicContact CE2-CD 4.36Å; Y550-K554 HydrophobicContact CE2-CG 4.04Å; Y550-K554 HydrophobicContact CG-CG 4.45Å; Y550-K554 WeakPolarHBondContact O-CG 3.38Å; Y550-K554 PolarHBondContact O-N 3.23Å; Y550-L583 HydrophobicContact CE1-CB 4.09Å; Y550-L583 HydrophobicContact CE1-CD2 3.83Å; Y550-L583 WeakPolarHBondContact CE1-O 3.4Å; Y550-E586 PolarHBondContact OH-OE1 3.33Å; Y550-E586 PolarHBondContact OH-OE2 3.42Å; Y550-E586 VanDerWaalsContact OH-OE2 3.1Å; Y550-A587 HydrophobicContact CD1-CB 3.51Å; Y550-A587 HydrophobicContact CD2-CB 4.47Å; Y550-A587 HydrophobicContact CE1-CB 4.06Å; Y550-A587 HydrophobicContact CG-CB 3.77Å
551V87.4Confident83.3Confident0 Ų056.4 Ų56.40%031%0.308CS..Hα-helixtrans-62-45.2-178.71740000110.6V547 E548 K553 K554 I555 L583 Y584V547-V551 HydrophobicContact CG1-CG2 4.49Å; V547-V551 VanDerWaalsContact O-CG2 3.31Å; V547-V551 WeakPolarHBondContact O-CG2 3.33Å; V547-V551 PolarHBondContact O-N 2.94Å; E548-V551 PolarHBondContact O-N 2.89Å; V551-K553 PolarHBondContact O-N 3.38Å; V551-K554 PolarHBondContact O-N 3.42Å; V551-I555 HydrophobicContact CG1-CD1 3.8Å; V551-I555 HydrophobicContact CG1-CG1 4.47Å; V551-I555 WeakPolarHBondContact O-CD1 3.4Å; V551-I555 WeakPolarHBondContact O-CG1 3.27Å; V551-I555 PolarHBondContact O-N 3.05Å; V551-L583 HydrophobicContact CG2-CB 4.28Å; V551-Y584 HydrophobicContact CB-CE2 4.33Å; V551-Y584 HydrophobicContact CG1-CE2 3.93Å; V551-Y584 HydrophobicContact CG2-CD2 3.73Å; V551-Y584 HydrophobicContact CG2-CE2 3.69Å; V551-Y584 HydrophobicContact CG2-CG 4.21Å
552K83.8Confident82.5Confident93 Ų9353.3 Ų53.340%0.40429%0.289SS..Hα-helixtrans-58.6-46.5176.4-77.2177.7-170.6177.80112.1E548 D549 Y550 I555 Q556 C618E548-K552 WeakPolarHBondContact O-CB 3.3Å; E548-K552 VanDerWaalsContact O-CG 3.29Å; E548-K552 WeakPolarHBondContact O-CG 3.44Å; E548-K552 PolarHBondContact O-N 3.13Å; D549-K552 PolarHBondContact O-N 3.21Å; Y550-K552 PolarHBondContact O-N 3.3Å; K552-I555 PolarHBondContact O-N 2.93Å; K552-Q556 VanDerWaalsContact O-CG 3.3Å; K552-Q556 WeakPolarHBondContact O-CG 3.41Å; K552-Q556 PolarHBondContact O-N 2.94Å; K552-C618 WeakPolarHBondContact CE-SG 3.34Å
553K85.9Confident81.2Confident67 Ų6755.8 Ų55.829%0.29131%0.31SS..Hα-helixtrans-65.2-42.1178.4-80173.8-179.3156.40112Y544 D549 Y550 V551 I555 Q556 E557Y544-K553 HydrophobicContact CD1-CD 3.71Å; Y544-K553 HydrophobicContact CE1-CB 4.01Å; Y544-K553 HydrophobicContact CE1-CD 3.63Å; Y544-K553 HydrophobicContact CE1-CG 4.49Å; D549-K553 WeakPolarHBondContact O-CB 3.49Å; D549-K553 PolarHBondContact O-N 2.82Å; D549-K553 WeakPolarHBondContact OD1-CE 3.5Å; D549-K553 IonicContact OD1-NZ 2.82Å; D549-K553 PolarHBondContact OD1-NZ 3.08Å; D549-K553 IonicContact OD2-NZ 3.1Å; D549-K553 PolarHBondContact OD2-NZ 3.05Å; Y550-K553 PolarHBondContact O-N 3.5Å; V551-K553 PolarHBondContact O-N 3.38Å; K553-I555 VanDerWaalsContact C-N 3.34Å; K553-I555 PolarHBondContact O-N 3.16Å; K553-Q556 CarbonylContact O-C 3.34Å; K553-Q556 WeakPolarHBondContact O-CB 3.23Å; K553-Q556 PolarHBondContact O-N 2.91Å; K553-Q556 VanDerWaalsContact O-N 3.13Å; K553-E557 WeakPolarHBondContact O-CB 3.44Å; K553-E557 VanDerWaalsContact O-CG 3.32Å; K553-E557 WeakPolarHBondContact O-CG 3.42Å; K553-E557 PolarHBondContact O-N 3.16Å
554K87.7Confident79.2Confident36 Ų3658.3 Ų58.316%0.15732%0.318CS..Hα-helixtrans-63.3-38.7177.2-70.6-73.2164.5-145.60112.7Y544 Y550 V551 E557 H558 L583Y544-K554 PolarHBondContact OH-NZ 2.54Å; Y550-K554 HydrophobicContact CD1-CG 4.16Å; Y550-K554 HydrophobicContact CD2-CG 4.4Å; Y550-K554 HydrophobicContact CE1-CG 3.77Å; Y550-K554 HydrophobicContact CE2-CD 4.36Å; Y550-K554 HydrophobicContact CE2-CG 4.04Å; Y550-K554 HydrophobicContact CG-CG 4.45Å; Y550-K554 WeakPolarHBondContact O-CG 3.38Å; Y550-K554 PolarHBondContact O-N 3.23Å; V551-K554 PolarHBondContact O-N 3.42Å; K554-E557 IonicContact NZ-OE2 3.96Å; K554-E557 PolarHBondContact NZ-OE2 2.91Å; K554-H558 WeakPolarHBondContact O-CB 3.38Å; K554-H558 PolarHBondContact O-N 3.31Å; K554-L583 HydrophobicContact CB-CD1 4.34Å; K554-L583 HydrophobicContact CB-CD2 3.96Å; K554-L583 HydrophobicContact CD-CD2 4.46Å; K554-L583 HydrophobicContact CG-CD2 3.99Å
555I83Confident77.3Confident25 Ų2562.9 Ų62.913%0.12835%0.348CS..Hα-helixtrans-62-47.6171.5-65.3164.3000110.1V551 K552 K553 E557 H558 F559 M572 W575 L576 L619V551-I555 HydrophobicContact CG1-CD1 3.8Å; V551-I555 HydrophobicContact CG1-CG1 4.47Å; V551-I555 WeakPolarHBondContact O-CD1 3.4Å; V551-I555 WeakPolarHBondContact O-CG1 3.27Å; V551-I555 PolarHBondContact O-N 3.05Å; K552-I555 PolarHBondContact O-N 2.93Å; K553-I555 VanDerWaalsContact C-N 3.34Å; K553-I555 PolarHBondContact O-N 3.16Å; I555-E557 PolarHBondContact O-N 2.76Å; I555-H558 PolarHBondContact O-N 2.75Å; I555-F559 HydrophobicContact CG2-CD2 3.98Å; I555-F559 HydrophobicContact CG2-CE2 4.43Å; I555-F559 VanDerWaalsContact O-CD2 3.27Å; I555-F559 WeakPolarHBondContact O-CD2 3.08Å; I555-F559 PolarHBondContact O-N 2.77Å; I555-F559 VanDerWaalsContact O-N 3.08Å; I555-M572 HydrophobicContact CG2-SD 4.42Å; I555-W575 HydrophobicContact CG1-CZ3 3.98Å; I555-L576 HydrophobicContact CD1-CD2 3.65Å; I555-L576 HydrophobicContact CG1-CD2 3.73Å; I555-L619 HydrophobicContact CD1-CD1 4.21Å
556Q82.1Confident75.8Confident132 Ų13268 Ų6862%0.61737%0.373SS*.Hα-helixtrans-61.6-45179-73.2172.9-3.300112.1K552 K553 F559 A560K552-Q556 VanDerWaalsContact O-CG 3.3Å; K552-Q556 WeakPolarHBondContact O-CG 3.41Å; K552-Q556 PolarHBondContact O-N 2.94Å; K553-Q556 CarbonylContact O-C 3.34Å; K553-Q556 WeakPolarHBondContact O-CB 3.23Å; K553-Q556 PolarHBondContact O-N 2.91Å; K553-Q556 VanDerWaalsContact O-N 3.13Å; Q556-F559 PolarHBondContact O-N 2.93Å; Q556-A560 WeakPolarHBondContact O-CA 3Å; Q556-A560 VanDerWaalsContact O-CB 3.23Å; Q556-A560 WeakPolarHBondContact O-CB 3.34Å; Q556-A560 PolarHBondContact O-N 3.44Å
557E84Confident74.3Confident84 Ų8472.5 Ų72.539%0.39339%0.392SS..Hα-helixtrans-59.2-47.4176.8-74.9172.3-178.700111.7Q542 K553 K554 I555 F559Q542-E557 PolarHBondContact OE1-OE1 3.34Å; K553-E557 WeakPolarHBondContact O-CB 3.44Å; K553-E557 VanDerWaalsContact O-CG 3.32Å; K553-E557 WeakPolarHBondContact O-CG 3.42Å; K553-E557 PolarHBondContact O-N 3.16Å; K554-E557 IonicContact NZ-OE2 3.96Å; K554-E557 PolarHBondContact NZ-OE2 2.91Å; I555-E557 PolarHBondContact O-N 2.76Å; E557-F559 PolarHBondContact O-N 3.45Å
558H82.6Confident72.9Confident91 Ų9179.8 Ų79.842%0.42142%0.419SS..Hα-helixtrans-66.2-38.5-178.2-165.183.5000112.4K554 I555 W575K554-H558 WeakPolarHBondContact O-CB 3.38Å; K554-H558 PolarHBondContact O-N 3.31Å; I555-H558 PolarHBondContact O-N 2.75Å; H558-W575 HydrophobicContact CB-CH2 4.07Å; H558-W575 HydrophobicContact CB-CZ2 3.88Å; H558-W575 AromaticContact CD2-CD1 3.84Å; H558-W575 AromaticContact CD2-CD2 3.91Å; H558-W575 AromaticContact CD2-CE2 3.62Å; H558-W575 AromaticContact CD2-NE1 3.61Å; H558-W575 AromaticContact CE1-CD1 3.81Å; H558-W575 AromaticContact CE1-CE2 3.81Å; H558-W575 AromaticContact CE1-NE1 3.24Å; H558-W575 PolarHBondContact CE1-NE1 2.93Å; H558-W575 AromaticContact CG-CE2 3.59Å; H558-W575 AromaticContact CG-CZ2 3.62Å; H558-W575 AromaticContact CG-NE1 3.82Å; H558-W575 AromaticContact ND1-CE2 3.71Å; H558-W575 AromaticContact ND1-CZ2 3.72Å; H558-W575 AromaticContact ND1-NE1 3.6Å; H558-W575 AromaticContact NE2-CD1 3.38Å; H558-W575 AromaticContact NE2-CE2 3.79Å; H558-W575 AromaticContact NE2-CG 4Å; H558-W575 AromaticContact NE2-NE1 3.26Å; H558-W575 PolarHBondContact NE2-NE1 3.09Å
559F78.6Confident71.8Confident17 Ų1783.3 Ų83.38%0.07544%0.441CS..Hα-helixtrans-95.10.4-178.1-68.7-73.7000114.5I555 Q556 E557 T561 M562 M572 W575I555-F559 HydrophobicContact CG2-CD2 3.98Å; I555-F559 HydrophobicContact CG2-CE2 4.43Å; I555-F559 VanDerWaalsContact O-CD2 3.27Å; I555-F559 WeakPolarHBondContact O-CD2 3.08Å; I555-F559 PolarHBondContact O-N 2.77Å; I555-F559 VanDerWaalsContact O-N 3.08Å; Q556-F559 PolarHBondContact O-N 2.93Å; E557-F559 PolarHBondContact O-N 3.45Å; F559-T561 VanDerWaalsContact C-N 3.26Å; F559-T561 PolarHBondContact O-N 2.89Å; F559-M562 HydrophobicContact CD1-SD 3.87Å; F559-M562 HydrophobicContact CE1-SD 4.05Å; F559-M572 HydrophobicContact CD2-CG 4.17Å; F559-M572 HydrophobicContact CE1-CB 4.21Å; F559-M572 HydrophobicContact CE2-CB 4.15Å; F559-M572 HydrophobicContact CE2-CG 3.7Å; F559-M572 VanDerWaalsContact CZ-CA 3.48Å; F559-M572 HydrophobicContact CZ-CB 3.88Å; F559-M572 HydrophobicContact CZ-CG 3.96Å; F559-W575 HydrophobicContact CE2-CD2 4.1Å; F559-W575 AromaticContact CE2-CE3 3.73Å; F559-W575 HydrophobicContact CE2-CE3 3.73Å; F559-W575 HydrophobicContact CE2-CG 4.44Å; F559-W575 HydrophobicContact CE2-CZ3 4.33Å; F559-W575 HydrophobicContact CZ-CB 3.88Å; F559-W575 HydrophobicContact CZ-CD2 4.24Å; F559-W575 HydrophobicContact CZ-CE3 4.26Å; F559-W575 HydrophobicContact CZ-CG 4.1Å
560A72.6Confident71Confident79 Ų7985 Ų8565%0.65345%0.454SS*.THydrogen-bonded Turntrans-62.6-28.3-178.600000113.7Q556Q556-A560 WeakPolarHBondContact O-CA 3Å; Q556-A560 VanDerWaalsContact O-CB 3.23Å; Q556-A560 WeakPolarHBondContact O-CB 3.34Å; Q556-A560 PolarHBondContact O-N 3.44Å
561T65Low70.1Confident126 Ų12689.6 Ų89.677%0.77347%0.474SS*.THydrogen-bonded Turntrans-99.7-2.5-173.352.50000114.5F559F559-T561 VanDerWaalsContact C-N 3.26Å; F559-T561 PolarHBondContact O-N 2.89Å
562M61.7Low69.4Low99 Ų9992 Ų9249%0.48849%0.485SS..PPolyproline II helixtrans-87.4117.6-179.4-75.9-170.274.800112.5F559 K571F559-M562 HydrophobicContact CD1-SD 3.87Å; F559-M562 HydrophobicContact CE1-SD 4.05Å; M562-K571 HydrophobicContact CE-CD 3.82Å
563V54.3Low68.7Low140 Ų14091.2 Ų91.285%0.84848%0.483SS*.PPolyproline II helixtrans-75.6127.6173.8-174.70000110.3
564L41.6Very low68.3Low129 Ų12993.2 Ų93.268%0.67550%0.496SS*.PPolyproline II helixtrans-54.6137.7-177-70.7152.1000113.3
565P48.2Very low68.1Low98 Ų9893 Ų9364%0.63650%0.495SS*.SBend-152.2149.584.433-12000116.2E567P565-E567 PolarHBondContact O-N 2.56Å
566T51.8Low67.7Low139 Ų13991.8 Ų91.885%0.85349%0.489SS*.SBendtrans52.1-34168.820.50000120.6R568T566-R568 PolarHBondContact O-N 3.2Å
567E57.4Low67.3Low112 Ų11290 Ų9052%0.52348%0.483SS..THydrogen-bonded Turntrans-79.4-4-178.7-64.9-176.9171.100113.7P565 T569 T570 K571P565-E567 PolarHBondContact O-N 2.56Å; E567-T569 PolarHBondContact O-N 3.37Å; E567-T570 PolarHBondContact O-N 3.16Å; E567-K571 PolarHBondContact O-N 2.99Å; E567-K571 WeakPolarHBondContact OE2-CE 3.47Å; E567-K571 IonicContact OE2-NZ 2.71Å; E567-K571 PolarHBondContact OE2-NZ 2.8Å
568R59.5Low67.2Low152 Ų15292.9 Ų92.957%0.57450%0.496SS*.Hα-helixtrans-53.5-43.4-174.4-165-178.4-172.8-172.83.7111.3T566 M572T566-R568 PolarHBondContact O-N 3.2Å; R568-M572 WeakPolarHBondContact O-CB 3.39Å; R568-M572 PolarHBondContact O-N 3.21Å
569T63.7Low67.3Low82 Ų8291.1 Ų91.150%0.50349%0.488SS..Hα-helixtrans-68.1-44.1-176.5-36.70000111.9E567 Q573E567-T569 PolarHBondContact O-N 3.37Å; T569-Q573 VanDerWaalsContact O-CB 3.28Å; T569-Q573 WeakPolarHBondContact O-CB 3.31Å; T569-Q573 WeakPolarHBondContact O-CG 3.37Å; T569-Q573 PolarHBondContact O-N 2.8Å
570T69.5Low67.4Low83 Ų8390.7 Ų90.751%0.50949%0.487SS..Hα-helixtrans-71.6-45.3-177.5-48.90000112.2E567 M572 Q573 L574E567-T570 PolarHBondContact O-N 3.16Å; T570-M572 VanDerWaalsContact C-N 3.35Å; T570-Q573 PolarHBondContact O-N 3.16Å; T570-L574 HydrophobicContact CG2-CD1 4.28Å; T570-L574 WeakPolarHBondContact O-CG 3.41Å; T570-L574 PolarHBondContact O-N 2.91Å
571K71.9Confident67.9Low98 Ų9889.5 Ų89.543%0.42647%0.468SS..Hα-helixtrans-65.2-40.2176.7-79.4-179.9174.1153.50111.7M562 E567 L574 W575M562-K571 HydrophobicContact CE-CD 3.82Å; E567-K571 PolarHBondContact O-N 2.99Å; E567-K571 WeakPolarHBondContact OE2-CE 3.47Å; E567-K571 IonicContact OE2-NZ 2.71Å; E567-K571 PolarHBondContact OE2-NZ 2.8Å; K571-L574 PolarHBondContact O-N 3.18Å; K571-W575 WeakPolarHBondContact O-CB 3.43Å; K571-W575 PolarHBondContact O-N 2.76Å
572M72.3Confident69Low50 Ų5089.7 Ų89.725%0.24646%0.46CS..Hα-helixtrans-63.3-44.8174.5-170.7178.779.400111.4I555 F559 R568 T570 L574 W575 L576I555-M572 HydrophobicContact CG2-SD 4.42Å; F559-M572 HydrophobicContact CD2-CG 4.17Å; F559-M572 HydrophobicContact CE1-CB 4.21Å; F559-M572 HydrophobicContact CE2-CB 4.15Å; F559-M572 HydrophobicContact CE2-CG 3.7Å; F559-M572 VanDerWaalsContact CZ-CA 3.48Å; F559-M572 HydrophobicContact CZ-CB 3.88Å; F559-M572 HydrophobicContact CZ-CG 3.96Å; R568-M572 WeakPolarHBondContact O-CB 3.39Å; R568-M572 PolarHBondContact O-N 3.21Å; T570-M572 VanDerWaalsContact C-N 3.35Å; M572-L574 PolarHBondContact O-N 3.09Å; M572-W575 PolarHBondContact O-N 2.92Å; M572-L576 HydrophobicContact CE-CD1 4.49Å; M572-L576 HydrophobicContact CG-CD1 3.74Å; M572-L576 HydrophobicContact CG-CG 4.32Å; M572-L576 WeakPolarHBondContact O-CB 3.15Å; M572-L576 WeakPolarHBondContact O-CD1 3.23Å; M572-L576 WeakPolarHBondContact O-CG 3.06Å; M572-L576 PolarHBondContact O-N 3.25Å
573Q69.9Low70.3Confident76 Ų7685.8 Ų85.836%0.35544%0.441SS..Hα-helixtrans-60.4-44.7175.4-79.4171.9-1700112.6T569 T570 L576 L577T569-Q573 VanDerWaalsContact O-CB 3.28Å; T569-Q573 WeakPolarHBondContact O-CB 3.31Å; T569-Q573 WeakPolarHBondContact O-CG 3.37Å; T569-Q573 PolarHBondContact O-N 2.8Å; T570-Q573 PolarHBondContact O-N 3.16Å; Q573-L576 PolarHBondContact O-N 3.08Å; Q573-L577 WeakPolarHBondContact O-CB 3.37Å; Q573-L577 WeakPolarHBondContact O-CD1 2.92Å; Q573-L577 VanDerWaalsContact O-CG 3.25Å; Q573-L577 WeakPolarHBondContact O-CG 3.37Å; Q573-L577 PolarHBondContact O-N 3.46Å
574L76.9Confident72Confident109 Ų10979.4 Ų79.457%0.57140%0.401SS*.Hα-helixtrans-64.1-46.5177.8-73.6169.9000112.1T570 K571 M572 L576 L577 E578T570-L574 HydrophobicContact CG2-CD1 4.28Å; T570-L574 WeakPolarHBondContact O-CG 3.41Å; T570-L574 PolarHBondContact O-N 2.91Å; K571-L574 PolarHBondContact O-N 3.18Å; M572-L574 PolarHBondContact O-N 3.09Å; L574-L576 VanDerWaalsContact C-N 3.34Å; L574-L576 PolarHBondContact O-N 3.09Å; L574-L577 PolarHBondContact O-N 3.46Å; L574-E578 WeakPolarHBondContact O-CB 3.47Å; L574-E578 PolarHBondContact O-N 2.68Å; L574-E578 VanDerWaalsContact O-N 3.08Å
575W82.5Confident74.4Confident32 Ų3276.3 Ų76.312%0.12138%0.383CS..Hα-helixtrans-63-42.5177.9-177.681000111.7I555 H558 F559 K571 M572 E578 H579 L583I555-W575 HydrophobicContact CG1-CZ3 3.98Å; H558-W575 HydrophobicContact CB-CH2 4.07Å; H558-W575 HydrophobicContact CB-CZ2 3.88Å; H558-W575 AromaticContact CD2-CD1 3.84Å; H558-W575 AromaticContact CD2-CD2 3.91Å; H558-W575 AromaticContact CD2-CE2 3.62Å; H558-W575 AromaticContact CD2-NE1 3.61Å; H558-W575 AromaticContact CE1-CD1 3.81Å; H558-W575 AromaticContact CE1-CE2 3.81Å; H558-W575 AromaticContact CE1-NE1 3.24Å; H558-W575 PolarHBondContact CE1-NE1 2.93Å; H558-W575 AromaticContact CG-CE2 3.59Å; H558-W575 AromaticContact CG-CZ2 3.62Å; H558-W575 AromaticContact CG-NE1 3.82Å; H558-W575 AromaticContact ND1-CE2 3.71Å; H558-W575 AromaticContact ND1-CZ2 3.72Å; H558-W575 AromaticContact ND1-NE1 3.6Å; H558-W575 AromaticContact NE2-CD1 3.38Å; H558-W575 AromaticContact NE2-CE2 3.79Å; H558-W575 AromaticContact NE2-CG 4Å; H558-W575 AromaticContact NE2-NE1 3.26Å; H558-W575 PolarHBondContact NE2-NE1 3.09Å; F559-W575 HydrophobicContact CE2-CD2 4.1Å; F559-W575 AromaticContact CE2-CE3 3.73Å; F559-W575 HydrophobicContact CE2-CE3 3.73Å; F559-W575 HydrophobicContact CE2-CG 4.44Å; F559-W575 HydrophobicContact CE2-CZ3 4.33Å; F559-W575 HydrophobicContact CZ-CB 3.88Å; F559-W575 HydrophobicContact CZ-CD2 4.24Å; F559-W575 HydrophobicContact CZ-CE3 4.26Å; F559-W575 HydrophobicContact CZ-CG 4.1Å; K571-W575 WeakPolarHBondContact O-CB 3.43Å; K571-W575 PolarHBondContact O-N 2.76Å; M572-W575 PolarHBondContact O-N 2.92Å; W575-E578 PolarHBondContact O-N 2.82Å; W575-H579 AromaticContact CD1-CE1 3.44Å; W575-H579 VanDerWaalsContact CD1-CE1 3.44Å; W575-H579 AromaticContact CD1-ND1 3.35Å; W575-H579 HydrophobicContact CD2-CB 4.48Å; W575-H579 AromaticContact CE2-CG 3.84Å; W575-H579 AromaticContact CE2-ND1 3.76Å; W575-H579 AromaticContact CG-ND1 3.8Å; W575-H579 HydrophobicContact CZ2-CB 4.18Å; W575-H579 AromaticContact NE1-CD2 3.97Å; W575-H579 AromaticContact NE1-CE1 3.38Å; W575-H579 PolarHBondContact NE1-CE1 3.22Å; W575-H579 AromaticContact NE1-CG 3.68Å; W575-H579 AromaticContact NE1-ND1 3.29Å; W575-H579 PolarHBondContact NE1-ND1 2.6Å; W575-H579 AromaticContact NE1-NE2 3.76Å; W575-H579 WeakPolarHBondContact O-CB 2.83Å; W575-H579 PolarHBondContact O-N 3.49Å; W575-H579 PolarHBondContact O-ND1 2.9Å; W575-L583 HydrophobicContact CH2-CD1 3.76Å; W575-L583 HydrophobicContact CZ3-CD1 4.09Å
576L75.6Confident76.4Confident0 Ų075.3 Ų75.30%037%0.369CS..Hα-helixtrans-64-43.9175.8-74.4168.4000111.8I555 M572 Q573 L574 E578 H579 V580 L619 L622I555-L576 HydrophobicContact CD1-CD2 3.65Å; I555-L576 HydrophobicContact CG1-CD2 3.73Å; M572-L576 HydrophobicContact CE-CD1 4.49Å; M572-L576 HydrophobicContact CG-CD1 3.74Å; M572-L576 HydrophobicContact CG-CG 4.32Å; M572-L576 WeakPolarHBondContact O-CB 3.15Å; M572-L576 WeakPolarHBondContact O-CD1 3.23Å; M572-L576 WeakPolarHBondContact O-CG 3.06Å; M572-L576 PolarHBondContact O-N 3.25Å; Q573-L576 PolarHBondContact O-N 3.08Å; L574-L576 VanDerWaalsContact C-N 3.34Å; L574-L576 PolarHBondContact O-N 3.09Å; L576-E578 PolarHBondContact O-N 2.87Å; L576-H579 PolarHBondContact O-N 2.83Å; L576-V580 WeakPolarHBondContact O-CA 3.41Å; L576-V580 WeakPolarHBondContact O-CB 3.49Å; L576-V580 WeakPolarHBondContact O-CG1 3.34Å; L576-V580 PolarHBondContact O-N 3.3Å; L576-L619 HydrophobicContact CD1-CD1 3.7Å; L576-L619 HydrophobicContact CD1-CD2 3.29Å; L576-L619 HydrophobicContact CD1-CG 4.11Å; L576-L619 HydrophobicContact CD2-CD1 3.6Å; L576-L619 HydrophobicContact CG-CD1 4.17Å; L576-L622 HydrophobicContact CB-CD1 3.55Å; L576-L622 HydrophobicContact CD1-CD1 4.13Å; L576-L622 HydrophobicContact CG-CD1 4.43Å
577L73.1Confident78.2Confident95 Ų9568.7 Ų68.750%0.49733%0.329SS..Hα-helixtrans-56.1-36.4174.3-80.7162.5000112.1Q573 L574 L622Q573-L577 WeakPolarHBondContact O-CB 3.37Å; Q573-L577 WeakPolarHBondContact O-CD1 2.92Å; Q573-L577 VanDerWaalsContact O-CG 3.25Å; Q573-L577 WeakPolarHBondContact O-CG 3.37Å; Q573-L577 PolarHBondContact O-N 3.46Å; L574-L577 PolarHBondContact O-N 3.46Å; L577-L622 HydrophobicContact CD2-CD2 3.28Å; L577-L622 HydrophobicContact CG-CD2 3.6Å
578E81.6Confident79.8Confident143 Ų14363.9 Ų63.967%0.66831%0.307SS*.Hα-helixtrans-79.8-36.7-178.4-171.1174.6-158.300113L574 W575 L576L574-E578 WeakPolarHBondContact O-CB 3.47Å; L574-E578 PolarHBondContact O-N 2.68Å; L574-E578 VanDerWaalsContact O-N 3.08Å; W575-E578 PolarHBondContact O-N 2.82Å; L576-E578 PolarHBondContact O-N 2.87Å
579H86Confident81.4Confident54 Ų5458.1 Ų58.125%0.2529%0.289CS..Hα-helixtrans-114.2-14-168.6-5978.7000115W575 L576 E581 E582 L583W575-H579 AromaticContact CD1-CE1 3.44Å; W575-H579 VanDerWaalsContact CD1-CE1 3.44Å; W575-H579 AromaticContact CD1-ND1 3.35Å; W575-H579 HydrophobicContact CD2-CB 4.48Å; W575-H579 AromaticContact CE2-CG 3.84Å; W575-H579 AromaticContact CE2-ND1 3.76Å; W575-H579 AromaticContact CG-ND1 3.8Å; W575-H579 HydrophobicContact CZ2-CB 4.18Å; W575-H579 AromaticContact NE1-CD2 3.97Å; W575-H579 AromaticContact NE1-CE1 3.38Å; W575-H579 PolarHBondContact NE1-CE1 3.22Å; W575-H579 AromaticContact NE1-CG 3.68Å; W575-H579 AromaticContact NE1-ND1 3.29Å; W575-H579 PolarHBondContact NE1-ND1 2.6Å; W575-H579 AromaticContact NE1-NE2 3.76Å; W575-H579 WeakPolarHBondContact O-CB 2.83Å; W575-H579 PolarHBondContact O-N 3.49Å; W575-H579 PolarHBondContact O-ND1 2.9Å; L576-H579 PolarHBondContact O-N 2.83Å; H579-E581 VanDerWaalsContact C-N 3.33Å; H579-E581 PolarHBondContact O-N 3.02Å; H579-E582 PolarHBondContact O-N 2.95Å; H579-E582 VanDerWaalsContact O-N 3.15Å; H579-L583 WeakPolarHBondContact O-CG 2.97Å; H579-L583 PolarHBondContact O-N 3.43Å
580V80.4Confident82.6Confident8 Ų854.5 Ų54.55%0.04827%0.267CS..Hα-helixtrans-61.9-38.9-171.171.50000112.5L576 E582 L583 Y584 L619 L626L576-V580 WeakPolarHBondContact O-CA 3.41Å; L576-V580 WeakPolarHBondContact O-CB 3.49Å; L576-V580 WeakPolarHBondContact O-CG1 3.34Å; L576-V580 PolarHBondContact O-N 3.3Å; V580-E582 VanDerWaalsContact C-N 3.32Å; V580-E582 PolarHBondContact O-N 3.18Å; V580-L583 PolarHBondContact O-N 3.31Å; V580-Y584 HydrophobicContact CG2-CD2 3.66Å; V580-Y584 HydrophobicContact CG2-CE2 3.61Å; V580-Y584 WeakPolarHBondContact O-CD2 3.34Å; V580-Y584 PolarHBondContact O-N 2.81Å; V580-L619 HydrophobicContact CG2-CD1 4.46Å; V580-L626 HydrophobicContact CG1-CD1 4.24Å; V580-L626 HydrophobicContact CG1-CD2 4.34Å; V580-L626 HydrophobicContact CG2-CD1 3.78Å
581E83.5Confident83.7Confident55 Ų5550.6 Ų50.626%0.25724%0.243SC..Hα-helixtrans-63.3-39.6178.7-176.9175.2165.900111.6H579 K585 K670H579-E581 VanDerWaalsContact C-N 3.33Å; H579-E581 PolarHBondContact O-N 3.02Å; E581-K585 HydrophobicContact CG-CD 4.23Å; E581-K585 WeakPolarHBondContact O-CB 3.24Å; E581-K585 VanDerWaalsContact O-CG 3.23Å; E581-K585 WeakPolarHBondContact O-CG 3.46Å; E581-K585 PolarHBondContact O-N 2.96Å; E581-K585 VanDerWaalsContact OE1-CE 3.26Å; E581-K585 WeakPolarHBondContact OE1-CE 3.47Å; E581-K585 IonicContact OE1-NZ 3.62Å; E581-K585 PolarHBondContact OE1-NZ 3.12Å; E581-K670 HydrophobicContact CG-CD 4.45Å; E581-K670 VanDerWaalsContact OE2-CD 3.24Å; E581-K670 WeakPolarHBondContact OE2-CD 3.44Å; E581-K670 WeakPolarHBondContact OE2-CE 3.49Å; E581-K670 IonicContact OE2-NZ 2.95Å; E581-K670 PolarHBondContact OE2-NZ 2.73Å
582E88.2Confident84.6Confident130 Ų13046.2 Ų46.261%0.60722%0.224SC*.Hα-helixtrans-68.4-45.9178.5-63-17516200111.4H579 V580 Y584 K585 E586H579-E582 PolarHBondContact O-N 2.95Å; H579-E582 VanDerWaalsContact O-N 3.15Å; V580-E582 VanDerWaalsContact C-N 3.32Å; V580-E582 PolarHBondContact O-N 3.18Å; E582-Y584 PolarHBondContact O-N 2.81Å; E582-K585 PolarHBondContact O-N 3.2Å; E582-E586 WeakPolarHBondContact O-CB 3.18Å; E582-E586 PolarHBondContact O-N 3.12Å
583L89.3Confident85.3Confident17 Ų1748.4 Ų48.49%0.08923%0.234CC..Hα-helixtrans-59.5-46.5178.4-67.1173.2000112Y550 V551 K554 W575 H579 V580 A587Y550-L583 HydrophobicContact CE1-CB 4.09Å; Y550-L583 HydrophobicContact CE1-CD2 3.83Å; Y550-L583 WeakPolarHBondContact CE1-O 3.4Å; V551-L583 HydrophobicContact CG2-CB 4.28Å; K554-L583 HydrophobicContact CB-CD1 4.34Å; K554-L583 HydrophobicContact CB-CD2 3.96Å; K554-L583 HydrophobicContact CD-CD2 4.46Å; K554-L583 HydrophobicContact CG-CD2 3.99Å; W575-L583 HydrophobicContact CH2-CD1 3.76Å; W575-L583 HydrophobicContact CZ3-CD1 4.09Å; H579-L583 WeakPolarHBondContact O-CG 2.97Å; H579-L583 PolarHBondContact O-N 3.43Å; V580-L583 PolarHBondContact O-N 3.31Å; L583-A587 WeakPolarHBondContact O-CB 3.08Å; L583-A587 PolarHBondContact O-N 3.36Å; L583-A587 VanDerWaalsContact O-N 3.11Å
584Y89.7Confident86Confident5 Ų549.1 Ų49.12%0.0224%0.237CC..Hα-helixtrans-66.4-41.2177.1-88.2-97.5000111.5V547 E548 V551 V580 E582 T588 L626 L671V547-Y584 HydrophobicContact CG1-CD1 3.6Å; V547-Y584 HydrophobicContact CG1-CE1 3.99Å; V547-Y584 HydrophobicContact CG1-CG 4.3Å; E548-Y584 VanDerWaalsContact OE1-CE1 3.24Å; E548-Y584 WeakPolarHBondContact OE1-CE1 3.43Å; E548-Y584 PolarHBondContact OE1-OH 2.94Å; E548-Y584 PolarHBondContact OE2-OH 2.85Å; V551-Y584 HydrophobicContact CB-CE2 4.33Å; V551-Y584 HydrophobicContact CG1-CE2 3.93Å; V551-Y584 HydrophobicContact CG2-CD2 3.73Å; V551-Y584 HydrophobicContact CG2-CE2 3.69Å; V551-Y584 HydrophobicContact CG2-CG 4.21Å; V580-Y584 HydrophobicContact CG2-CD2 3.66Å; V580-Y584 HydrophobicContact CG2-CE2 3.61Å; V580-Y584 WeakPolarHBondContact O-CD2 3.34Å; V580-Y584 PolarHBondContact O-N 2.81Å; E582-Y584 PolarHBondContact O-N 2.81Å; Y584-T588 WeakPolarHBondContact O-CB 3.37Å; Y584-T588 PolarHBondContact O-N 2.79Å; Y584-T588 PolarHBondContact O-OG1 3.32Å; Y584-L626 HydrophobicContact CD2-CD1 4.16Å; Y584-L626 HydrophobicContact CE2-CD1 3.97Å; Y584-L671 HydrophobicContact CD1-CD1 3.82Å; Y584-L671 HydrophobicContact CD1-CD2 4.33Å; Y584-L671 HydrophobicContact CE1-CD1 4.34Å; Y584-L671 HydrophobicContact CG-CD1 4.35Å; Y584-L671 HydrophobicContact CG-CD2 4.28Å
585K90.5Very high86.3Confident64 Ų6445.7 Ų45.728%0.27822%0.219SC..Hα-helixtrans-62.6-45.8177.6-77.8178.4-176.9167.70112E581 E582 T588 T589 H674E581-K585 HydrophobicContact CG-CD 4.23Å; E581-K585 WeakPolarHBondContact O-CB 3.24Å; E581-K585 VanDerWaalsContact O-CG 3.23Å; E581-K585 WeakPolarHBondContact O-CG 3.46Å; E581-K585 PolarHBondContact O-N 2.96Å; E581-K585 VanDerWaalsContact OE1-CE 3.26Å; E581-K585 WeakPolarHBondContact OE1-CE 3.47Å; E581-K585 IonicContact OE1-NZ 3.62Å; E581-K585 PolarHBondContact OE1-NZ 3.12Å; E582-K585 PolarHBondContact O-N 3.2Å; K585-T588 PolarHBondContact O-N 3.49Å; K585-T589 VanDerWaalsContact O-CB 3.31Å; K585-T589 WeakPolarHBondContact O-CB 3.27Å; K585-T589 PolarHBondContact O-N 3.03Å; K585-T589 PolarHBondContact O-OG1 2.77Å; K585-H674 HydrophobicContact CG-CB 4.41Å; K585-H674 PolarHBondContact O-NE2 3.42Å
586E91.1Very high86Confident77 Ų7747.9 Ų47.936%0.3624%0.244SC..Hα-helixtrans-58-54.6178.1-175.9-176.1143.300111T539 N540 Y550 E582 T588 T589 A590T539-E586 HydrophobicContact CG2-CG 4.48Å; N540-E586 PolarHBondContact ND2-OE1 2.94Å; Y550-E586 PolarHBondContact OH-OE1 3.33Å; Y550-E586 PolarHBondContact OH-OE2 3.42Å; Y550-E586 VanDerWaalsContact OH-OE2 3.1Å; E582-E586 WeakPolarHBondContact O-CB 3.18Å; E582-E586 PolarHBondContact O-N 3.12Å; E586-T588 PolarHBondContact O-N 3.46Å; E586-T589 PolarHBondContact O-N 3.49Å; E586-A590 WeakPolarHBondContact O-CB 3.41Å; E586-A590 PolarHBondContact O-N 3.16Å
587A90.7Very high86.1Confident0 Ų052.6 Ų52.60%027%0.269CS..Hα-helixtrans-65.4-37.8-179.800000113F537 V547 Y550 L583 K591F537-A587 HydrophobicContact CE2-CB 3.87Å; F537-A587 HydrophobicContact CZ-CB 3.69Å; V547-A587 HydrophobicContact CB-CB 4.25Å; V547-A587 HydrophobicContact CG1-CB 3.84Å; V547-A587 HydrophobicContact CG2-CB 4.1Å; Y550-A587 HydrophobicContact CD1-CB 3.51Å; Y550-A587 HydrophobicContact CD2-CB 4.47Å; Y550-A587 HydrophobicContact CE1-CB 4.06Å; Y550-A587 HydrophobicContact CG-CB 3.77Å; L583-A587 WeakPolarHBondContact O-CB 3.08Å; L583-A587 PolarHBondContact O-N 3.36Å; L583-A587 VanDerWaalsContact O-N 3.11Å; A587-K591 WeakPolarHBondContact O-CB 3.5Å; A587-K591 PolarHBondContact O-N 3.24Å
588T90.2Very high86.6Confident12 Ų1248 Ų487%0.07425%0.245CC..Hα-helixtrans-67-47.2177.2-57.50000110.3Y584 K585 E586 A590 K591 F592 L675 L678Y584-T588 WeakPolarHBondContact O-CB 3.37Å; Y584-T588 PolarHBondContact O-N 2.79Å; Y584-T588 PolarHBondContact O-OG1 3.32Å; K585-T588 PolarHBondContact O-N 3.49Å; E586-T588 PolarHBondContact O-N 3.46Å; T588-A590 PolarHBondContact O-N 3.46Å; T588-K591 WeakPolarHBondContact O-CB 3.14Å; T588-K591 PolarHBondContact O-N 2.87Å; T588-F592 HydrophobicContact CG2-CD2 3.68Å; T588-F592 HydrophobicContact CG2-CE2 3.62Å; T588-F592 VanDerWaalsContact O-CD2 3.24Å; T588-F592 WeakPolarHBondContact O-CD2 3.29Å; T588-F592 PolarHBondContact O-N 3.26Å; T588-L675 HydrophobicContact CG2-CD2 3.48Å; T588-L675 VanDerWaalsContact CG2-CD2 3.48Å; T588-L675 HydrophobicContact CG2-CG 4.44Å; T588-L678 HydrophobicContact CG2-CD1 4.24Å
589T92.1Very high86.7Confident31 Ų3145.1 Ų45.119%0.1923%0.228CC..Hα-helixtrans-56.1-51.3174.8-62.50000110.7K585 E586 K591 F592 E593 H674 L678K585-T589 VanDerWaalsContact O-CB 3.31Å; K585-T589 WeakPolarHBondContact O-CB 3.27Å; K585-T589 PolarHBondContact O-N 3.03Å; K585-T589 PolarHBondContact O-OG1 2.77Å; E586-T589 PolarHBondContact O-N 3.49Å; T589-K591 VanDerWaalsContact C-N 3.33Å; T589-K591 PolarHBondContact O-N 2.94Å; T589-F592 PolarHBondContact O-N 3.08Å; T589-E593 VanDerWaalsContact CG2-CD 3.47Å; T589-E593 HydrophobicContact CG2-CG 4.19Å; T589-E593 WeakPolarHBondContact CG2-OE1 3.41Å; T589-E593 VanDerWaalsContact O-CB 3.3Å; T589-E593 WeakPolarHBondContact O-CB 3.24Å; T589-E593 VanDerWaalsContact O-CG 3.27Å; T589-E593 WeakPolarHBondContact O-CG 3.5Å; T589-E593 PolarHBondContact O-N 3.39Å; T589-H674 PolarHBondContact OG1-CE1 3.47Å; T589-H674 PolarHBondContact OG1-NE2 3.48Å; T589-L678 HydrophobicContact CG2-CD2 4.02Å
590A90.7Very high86.3Confident6 Ų649.5 Ų49.55%0.0525%0.246CC..Hα-helixtrans-59.3-41.6177.800000112.8F537 T539 E586 T588 Q594F537-A590 HydrophobicContact CB-CB 4.41Å; F537-A590 HydrophobicContact CD2-CB 3.75Å; F537-A590 HydrophobicContact CE2-CB 4.42Å; F537-A590 HydrophobicContact CG-CB 4.27Å; T539-A590 HydrophobicContact CG2-CB 3.34Å; E586-A590 WeakPolarHBondContact O-CB 3.41Å; E586-A590 PolarHBondContact O-N 3.16Å; T588-A590 PolarHBondContact O-N 3.46Å; A590-Q594 WeakPolarHBondContact O-CB 3.32Å; A590-Q594 WeakPolarHBondContact O-CG 3.27Å; A590-Q594 PolarHBondContact O-N 3.32Å
591K91.7Very high86.2Confident1 Ų149.8 Ų49.80%0.00425%0.25CC..Hα-helixtrans-57.4-52.9175.2169.6-179173-160.10112.2P528 S530 S535 F537 V547 A587 T588 T589 Q594 N595 C598P528-K591 VanDerWaalsContact O-CE 3.28Å; P528-K591 WeakPolarHBondContact O-CE 3.14Å; P528-K591 PolarHBondContact O-NZ 2.87Å; S530-K591 PolarHBondContact O-NZ 3.48Å; S535-K591 WeakPolarHBondContact OG-CD 3.16Å; S535-K591 WeakPolarHBondContact OG-CE 3.3Å; S535-K591 VanDerWaalsContact OG-CG 3.29Å; S535-K591 WeakPolarHBondContact OG-CG 3.44Å; F537-K591 HydrophobicContact CD1-CB 3.76Å; F537-K591 HydrophobicContact CD1-CG 4.47Å; F537-K591 HydrophobicContact CE1-CB 4.15Å; F537-K591 HydrophobicContact CG-CB 4.32Å; V547-K591 HydrophobicContact CG2-CB 4.24Å; V547-K591 HydrophobicContact CG2-CD 3.8Å; A587-K591 WeakPolarHBondContact O-CB 3.5Å; A587-K591 PolarHBondContact O-N 3.24Å; T588-K591 WeakPolarHBondContact O-CB 3.14Å; T588-K591 PolarHBondContact O-N 2.87Å; T589-K591 VanDerWaalsContact C-N 3.33Å; T589-K591 PolarHBondContact O-N 2.94Å; K591-Q594 PolarHBondContact O-N 2.97Å; K591-N595 WeakPolarHBondContact O-CB 3.43Å; K591-N595 PolarHBondContact O-N 3.39Å; K591-C598 WeakPolarHBondContact CE-SG 3.35Å; K591-C598 HydrophobicContact CG-CB 4.38Å
592F90.1Very high86.3Confident5 Ų547.2 Ų47.22%0.02224%0.238CC..Hα-helixtrans-76.3-27.8-175.8-75.4-85.6000112.8L529 T588 T589 C598 R599 L602 L675 L678L529-F592 HydrophobicContact CD2-CE1 3.88Å; L529-F592 HydrophobicContact CD2-CZ 4.14Å; T588-F592 HydrophobicContact CG2-CD2 3.68Å; T588-F592 HydrophobicContact CG2-CE2 3.62Å; T588-F592 VanDerWaalsContact O-CD2 3.24Å; T588-F592 WeakPolarHBondContact O-CD2 3.29Å; T588-F592 PolarHBondContact O-N 3.26Å; T589-F592 PolarHBondContact O-N 3.08Å; F592-C598 HydrophobicContact CD1-CB 3.84Å; F592-C598 VanDerWaalsContact CD1-O 3.29Å; F592-C598 WeakPolarHBondContact CD1-O 3.3Å; F592-C598 HydrophobicContact CE1-CB 3.9Å; F592-C598 WeakPolarHBondContact CE1-O 3.4Å; F592-C598 HydrophobicContact CG-CB 4.48Å; F592-R599 WeakPolarHBondContact O-CB 3.45Å; F592-R599 PolarHBondContact O-NE 3.32Å; F592-L602 HydrophobicContact CB-CD2 4.49Å; F592-L602 HydrophobicContact CD1-CB 3.76Å; F592-L602 HydrophobicContact CD1-CD2 3.74Å; F592-L602 HydrophobicContact CD1-CG 4.29Å; F592-L602 HydrophobicContact CE1-CB 3.71Å; F592-L602 HydrophobicContact CE1-CD1 4.41Å; F592-L602 HydrophobicContact CE1-CD2 4.17Å; F592-L602 HydrophobicContact CE1-CG 4.32Å; F592-L602 HydrophobicContact CG-CD2 4.14Å; F592-L675 HydrophobicContact CD2-CD2 3.81Å; F592-L675 HydrophobicContact CE1-CD2 4.44Å; F592-L675 HydrophobicContact CE2-CD2 3.22Å; F592-L675 HydrophobicContact CZ-CD2 3.56Å; F592-L678 HydrophobicContact CB-CD1 4.47Å; F592-L678 HydrophobicContact CD2-CD1 4.4Å
593E87Confident85.9Confident96 Ų9643.8 Ų43.845%0.44922%0.223SC..Hα-helixtrans-72.2-34.5172-73.6177.5174.200112.1T589 R599T589-E593 VanDerWaalsContact CG2-CD 3.47Å; T589-E593 HydrophobicContact CG2-CG 4.19Å; T589-E593 WeakPolarHBondContact CG2-OE1 3.41Å; T589-E593 VanDerWaalsContact O-CB 3.3Å; T589-E593 WeakPolarHBondContact O-CB 3.24Å; T589-E593 VanDerWaalsContact O-CG 3.27Å; T589-E593 WeakPolarHBondContact O-CG 3.5Å; T589-E593 PolarHBondContact O-N 3.39Å; E593-R599 PolarHBondContact O-NH2 2.63Å
594Q86.1Confident85.2Confident92 Ų9246.2 Ų46.243%0.4324%0.242SC..Hα-helixtrans-101.2-21.7-172.6-61.617536.100113.8F537 I538 A590 K591F537-Q594 HydrophobicContact CB-CB 4.4Å; I538-Q594 PolarHBondContact O-NE2 2.94Å; I538-Q594 PolarHBondContact O-OE1 2.98Å; A590-Q594 WeakPolarHBondContact O-CB 3.32Å; A590-Q594 WeakPolarHBondContact O-CG 3.27Å; A590-Q594 PolarHBondContact O-N 3.32Å; K591-Q594 PolarHBondContact O-N 2.97Å
595N83.2Confident84.6Confident36 Ų3646.6 Ų46.619%0.19324%0.244CC..  trans-106.4104.7-178.4-167.8-67.5000111.5K591 L597 C598 R599K591-N595 WeakPolarHBondContact O-CB 3.43Å; K591-N595 PolarHBondContact O-N 3.39Å; N595-L597 VanDerWaalsContact C-N 3.27Å; N595-L597 PolarHBondContact O-N 3.28Å; N595-L597 WeakPolarHBondContact OD1-CB 3.45Å; N595-L597 PolarHBondContact OD1-N 2.95Å; N595-C598 HydrophobicContact CB-CB 4.03Å; N595-C598 VanDerWaalsContact CG-SG 3.52Å; N595-C598 PolarHBondContact O-N 3.1Å; N595-C598 VanDerWaalsContact O-N 3.15Å; N595-C598 PolarHBondContact OD1-N 3.2Å; N595-C598 PolarHBondContact OD1-SG 3.46Å; N595-R599 PolarHBondContact O-N 2.82Å
596A76.3Confident83.9Confident78 Ų7845.4 Ų45.465%0.64525%0.25SS*.Hα-helixtrans-58.8-34.2-176.900000113.7R599 K600A596-R599 PolarHBondContact O-N 2.94Å; A596-K600 WeakPolarHBondContact O-CB 3.5Å; A596-K600 PolarHBondContact O-N 3.01Å
597L76.7Confident83Confident99 Ų9949.1 Ų49.152%0.51827%0.273SS..Hα-helixtrans-68.7-44.3177.6179.9150.6000111.1P528 F533 N595 R599 K600 A601P528-L597 HydrophobicContact CB-CD2 3.64Å; P528-L597 HydrophobicContact CG-CD2 3.45Å; P528-L597 VanDerWaalsContact CG-CD2 3.45Å; F533-L597 HydrophobicContact CE1-CD2 3.88Å; F533-L597 HydrophobicContact CZ-CD2 3.68Å; N595-L597 VanDerWaalsContact C-N 3.27Å; N595-L597 PolarHBondContact O-N 3.28Å; N595-L597 WeakPolarHBondContact OD1-CB 3.45Å; N595-L597 PolarHBondContact OD1-N 2.95Å; L597-R599 VanDerWaalsContact C-N 3.33Å; L597-K600 PolarHBondContact O-N 2.86Å; L597-A601 WeakPolarHBondContact O-CB 3.46Å; L597-A601 PolarHBondContact O-N 3.25Å
598C83.6Confident82.3Confident0 Ų050.7 Ų50.70%028%0.284CS..Hα-helixtrans-62.6-42.8174.3-610000110.8K591 F592 N595 A601 L602K591-C598 WeakPolarHBondContact CE-SG 3.35Å; K591-C598 HydrophobicContact CG-CB 4.38Å; F592-C598 HydrophobicContact CD1-CB 3.84Å; F592-C598 VanDerWaalsContact CD1-O 3.29Å; F592-C598 WeakPolarHBondContact CD1-O 3.3Å; F592-C598 HydrophobicContact CE1-CB 3.9Å; F592-C598 WeakPolarHBondContact CE1-O 3.4Å; F592-C598 HydrophobicContact CG-CB 4.48Å; N595-C598 HydrophobicContact CB-CB 4.03Å; N595-C598 VanDerWaalsContact CG-SG 3.52Å; N595-C598 PolarHBondContact O-N 3.1Å; N595-C598 VanDerWaalsContact O-N 3.15Å; N595-C598 PolarHBondContact OD1-N 3.2Å; N595-C598 PolarHBondContact OD1-SG 3.46Å; C598-A601 PolarHBondContact O-N 3.23Å; C598-L602 PolarHBondContact O-N 3.08Å
599R84.4Confident81.8Confident82 Ų8251.8 Ų51.831%0.30929%0.288SS..Hα-helixtrans-59.7-48.8175.5-164.9-171.9-66.9-153.611.4112.2F592 E593 N595 A596 L597 A601 L602 L603 E682F592-R599 WeakPolarHBondContact O-CB 3.45Å; F592-R599 PolarHBondContact O-NE 3.32Å; E593-R599 PolarHBondContact O-NH2 2.63Å; N595-R599 PolarHBondContact O-N 2.82Å; A596-R599 PolarHBondContact O-N 2.94Å; L597-R599 VanDerWaalsContact C-N 3.33Å; R599-A601 VanDerWaalsContact C-N 3.33Å; R599-A601 PolarHBondContact O-N 3.43Å; R599-L602 WeakPolarHBondContact O-CB 3.4Å; R599-L602 PolarHBondContact O-N 3.48Å; R599-L602 VanDerWaalsContact O-N 3.14Å; R599-L603 HydrophobicContact CG-CD1 4.28Å; R599-L603 WeakPolarHBondContact O-CG 3.12Å; R599-L603 PolarHBondContact O-N 3.13Å; R599-E682 WeakPolarHBondContact CD-OE2 3.41Å; R599-E682 IonicContact CZ-OE1 3.35Å; R599-E682 IonicContact CZ-OE2 2.77Å; R599-E682 IonicContact NE-OE2 3.98Å; R599-E682 IonicContact NH1-OE1 3.29Å; R599-E682 IonicContact NH1-OE2 3.68Å; R599-E682 PolarHBondContact NH1-OE2 2.7Å
600K76Confident81.3Confident145 Ų14550.3 Ų50.363%0.6328%0.279SS*.Hα-helixtrans-60.7-42.7178.1-173177.6-180-179.50111.4A596 L597 L602 L603 S604A596-K600 WeakPolarHBondContact O-CB 3.5Å; A596-K600 PolarHBondContact O-N 3.01Å; L597-K600 PolarHBondContact O-N 2.86Å; K600-L602 VanDerWaalsContact C-N 3.32Å; K600-L602 PolarHBondContact O-N 2.98Å; K600-L603 PolarHBondContact O-N 3.44Å; K600-S604 WeakPolarHBondContact O-CB 3.17Å; K600-S604 PolarHBondContact O-N 3.24Å; K600-S604 PolarHBondContact O-OG 3.44Å
601A79.5Confident80.5Confident15 Ų1550 Ų5012%0.12428%0.277CS..Hα-helixtrans-63.8-36.1175.600000112.6P528 L529 L597 C598 R599 S604 T605P528-A601 HydrophobicContact CB-CB 3.62Å; P528-A601 HydrophobicContact CG-CB 3.98Å; L529-A601 HydrophobicContact CD2-CB 4.18Å; L597-A601 WeakPolarHBondContact O-CB 3.46Å; L597-A601 PolarHBondContact O-N 3.25Å; C598-A601 PolarHBondContact O-N 3.23Å; R599-A601 VanDerWaalsContact C-N 3.33Å; R599-A601 PolarHBondContact O-N 3.43Å; A601-S604 WeakPolarHBondContact CA-OG 3.49Å; A601-S604 PolarHBondContact O-OG 3.37Å; A601-T605 WeakPolarHBondContact O-CG2 3.31Å
602L84.6Confident79.7Confident1 Ų150.5 Ų50.51%0.00528%0.279CS..Hα-helixtrans-66.3-46174.7-175.563000111.2L529 F592 C598 R599 K600 T605 L610 L675 L678 R679L529-L602 HydrophobicContact CD2-CB 4.06Å; L529-L602 HydrophobicContact CD2-CD1 4.13Å; F592-L602 HydrophobicContact CB-CD2 4.49Å; F592-L602 HydrophobicContact CD1-CB 3.76Å; F592-L602 HydrophobicContact CD1-CD2 3.74Å; F592-L602 HydrophobicContact CD1-CG 4.29Å; F592-L602 HydrophobicContact CE1-CB 3.71Å; F592-L602 HydrophobicContact CE1-CD1 4.41Å; F592-L602 HydrophobicContact CE1-CD2 4.17Å; F592-L602 HydrophobicContact CE1-CG 4.32Å; F592-L602 HydrophobicContact CG-CD2 4.14Å; C598-L602 PolarHBondContact O-N 3.08Å; R599-L602 WeakPolarHBondContact O-CB 3.4Å; R599-L602 PolarHBondContact O-N 3.48Å; R599-L602 VanDerWaalsContact O-N 3.14Å; K600-L602 VanDerWaalsContact C-N 3.32Å; K600-L602 PolarHBondContact O-N 2.98Å; L602-T605 PolarHBondContact O-N 3.2Å; L602-T605 PolarHBondContact O-OG1 2.96Å; L602-L610 HydrophobicContact CD1-CD1 3.49Å; L602-L610 VanDerWaalsContact CD1-CD1 3.49Å; L602-L675 HydrophobicContact CD1-CB 4.07Å; L602-L675 HydrophobicContact CD1-CD2 4.48Å; L602-L678 HydrophobicContact CD2-CB 4Å; L602-R679 HydrophobicContact CD1-CB 4.21Å; L602-R679 HydrophobicContact CD2-CB 4.19Å; L602-R679 HydrophobicContact CG-CB 3.93Å; L602-R679 HydrophobicContact CG-CG 4.36Å; L602-R679 WeakPolarHBondContact O-CD 3.46Å
603L80.7Confident78.6Confident58 Ų5851.5 Ų51.530%0.30429%0.286SS..Hα-helixtrans-67.1-35.3178.6-66.5173.5000112.2R599 K600 T605 G606 R679 E682R599-L603 HydrophobicContact CG-CD1 4.28Å; R599-L603 WeakPolarHBondContact O-CG 3.12Å; R599-L603 PolarHBondContact O-N 3.13Å; K600-L603 PolarHBondContact O-N 3.44Å; L603-T605 PolarHBondContact O-N 3.03Å; L603-T605 VanDerWaalsContact O-N 3.14Å; L603-G606 PolarHBondContact O-N 2.91Å; L603-G606 VanDerWaalsContact O-N 3.16Å; L603-R679 HydrophobicContact CD2-CG 4.5Å; L603-E682 HydrophobicContact CD2-CB 4Å
604S75.3Confident77.3Confident67 Ų6748.5 Ų48.547%0.46927%0.274SS..THydrogen-bonded Turntrans-67.8-10.2177.966.60000113.9K600 A601 G606K600-S604 WeakPolarHBondContact O-CB 3.17Å; K600-S604 PolarHBondContact O-N 3.24Å; K600-S604 PolarHBondContact O-OG 3.44Å; A601-S604 WeakPolarHBondContact CA-OG 3.49Å; A601-S604 PolarHBondContact O-OG 3.37Å; S604-G606 PolarHBondContact O-N 3.15Å
605T76.2Confident75.7Confident13 Ų1353.4 Ų53.48%0.0829%0.289CS..THydrogen-bonded Turntrans-73.9-6.4172.865.90000113.6V520 L529 A601 L602 L603 D607 S608 L610 R679V520-T605 HydrophobicContact CB-CG2 4.45Å; V520-T605 HydrophobicContact CG1-CG2 4.05Å; V520-T605 HydrophobicContact CG2-CG2 4.28Å; L529-T605 HydrophobicContact CD1-CG2 3.67Å; A601-T605 WeakPolarHBondContact O-CG2 3.31Å; L602-T605 PolarHBondContact O-N 3.2Å; L602-T605 PolarHBondContact O-OG1 2.96Å; L603-T605 PolarHBondContact O-N 3.03Å; L603-T605 VanDerWaalsContact O-N 3.14Å; T605-D607 PolarHBondContact O-N 2.97Å; T605-S608 VanDerWaalsContact O-CB 3.3Å; T605-S608 WeakPolarHBondContact O-CB 3.41Å; T605-S608 PolarHBondContact O-N 3.42Å; T605-S608 PolarHBondContact O-OG 3.23Å; T605-L610 HydrophobicContact CG2-CD2 3.74Å; T605-R679 WeakPolarHBondContact OG1-CD 3.19Å; T605-R679 PolarHBondContact OG1-NH1 3.33Å
606G74.9Confident74Confident39 Ų3952.3 Ų52.340%0.40228%0.284SS..THydrogen-bonded Turntrans56.9-132.5178.600000112.1L603 S604 R679L603-G606 PolarHBondContact O-N 2.91Å; L603-G606 VanDerWaalsContact O-N 3.16Å; S604-G606 PolarHBondContact O-N 3.15Å; G606-R679 VanDerWaalsContact O-CD 3.27Å; G606-R679 WeakPolarHBondContact O-CD 3.37Å; G606-R679 PolarHBondContact O-NE 3.05Å; G606-R679 PolarHBondContact O-NH1 2.81Å; G606-R679 VanDerWaalsContact O-NH1 3.12Å; G606-R679 PolarHBondContact O-NH2 2.85Å
607D73.7Confident72.8Confident156 Ų15652.2 Ų52.283%0.83428%0.278SS*.THydrogen-bonded Turntrans-92.23.1178.7-68.5-33.2000113.8T605T605-D607 PolarHBondContact O-N 2.97Å
608S76Confident71.4Confident32 Ų3249 Ų4922%0.22426%0.264CS..PPolyproline II helixtrans-62.1144.9-177.3-58.20000112T605 L610 R679T605-S608 VanDerWaalsContact O-CB 3.3Å; T605-S608 WeakPolarHBondContact O-CB 3.41Å; T605-S608 PolarHBondContact O-N 3.42Å; T605-S608 PolarHBondContact O-OG 3.23Å; S608-L610 PolarHBondContact O-N 3.16Å; S608-R679 VanDerWaalsContact O-CZ 3.26Å; S608-R679 PolarHBondContact O-NH1 2.95Å; S608-R679 PolarHBondContact O-NH2 2.95Å
609Q78.7Confident70Confident35 Ų3549.8 Ų49.816%0.16427%0.268CS..EExtended strand (participates in β ladder)trans-72.7124.9175.3-67.6-61.2-48.100110.8N518 F519 V520 A647 C651 M676N518-Q609 VanDerWaalsContact O-CB 3.32Å; N518-Q609 WeakPolarHBondContact O-CB 3.31Å; N518-Q609 PolarHBondContact O-N 3.3Å; F519-Q609 CarbonylContact C-O 3.54Å; F519-Q609 WeakPolarHBondContact CA-O 3.34Å; F519-Q609 HydrophobicContact CD1-CB 3.28Å; F519-Q609 HydrophobicContact CD1-CG 4.19Å; F519-Q609 HydrophobicContact CE1-CB 3.51Å; F519-Q609 HydrophobicContact CE1-CG 3.99Å; F519-Q609 HydrophobicContact CG-CB 4.15Å; V520-Q609 PolarHBondContact N-O 3.1Å; Q609-A647 HydrophobicContact CG-CB 4.26Å; Q609-C651 PolarHBondContact NE2-SG 3.45Å; Q609-C651 PolarHBondContact OE1-SG 3.28Å; Q609-M676 HydrophobicContact CB-SD 4.46Å; Q609-M676 PolarHBondContact OE1-SD 3.1Å
610L81.1Confident68.5Low0 Ų050.4 Ų50.40%028%0.283CS..EExtended strand (participates in β ladder)trans-86.8121.8-178.7-53.6-179.5000110.9V520 V522 L602 T605 S608 N669 G672 L675 M676V520-L610 HydrophobicContact CB-CD2 3.77Å; V520-L610 HydrophobicContact CG1-CD2 4.15Å; V520-L610 HydrophobicContact CG2-CD2 4.46Å; V520-L610 CarbonylContact O-C 3.42Å; V520-L610 WeakPolarHBondContact O-CA 3.4Å; V522-L610 HydrophobicContact CG2-CB 4.3Å; L602-L610 HydrophobicContact CD1-CD1 3.49Å; L602-L610 VanDerWaalsContact CD1-CD1 3.49Å; T605-L610 HydrophobicContact CG2-CD2 3.74Å; S608-L610 PolarHBondContact O-N 3.16Å; L610-N669 PolarHBondContact O-ND2 2.96Å; L610-N669 PolarHBondContact O-OD1 3.25Å; L610-G672 WeakPolarHBondContact O-CA 3.39Å; L610-L675 HydrophobicContact CD1-CB 3.54Å; L610-L675 HydrophobicContact CD1-CD1 4.48Å; L610-M676 HydrophobicContact CB-CE 4.02Å; L610-M676 HydrophobicContact CB-CG 3.97Å; L610-M676 HydrophobicContact CB-SD 4.5Å; L610-M676 HydrophobicContact CD1-CG 3.92Å; L610-M676 HydrophobicContact CG-CG 3.73Å; L610-M676 PolarHBondContact N-SD 3.43Å; L610-M676 WeakPolarHBondContact O-CE 3.18Å
611L75.1Confident67.5Low1 Ų147.1 Ų47.11%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-111.7109.1-177.6-75.7176.5000111.1F519 V520 L521 V522 V613 F636 W654 N669F519-L611 HydrophobicContact CB-CD1 3.91Å; F519-L611 HydrophobicContact CD1-CD1 3.43Å; F519-L611 VanDerWaalsContact CD1-CD1 3.43Å; F519-L611 HydrophobicContact CD1-CD2 4.34Å; F519-L611 HydrophobicContact CD1-CG 3.74Å; F519-L611 HydrophobicContact CE1-CD1 4.14Å; F519-L611 HydrophobicContact CE1-CG 4.42Å; F519-L611 HydrophobicContact CG-CD1 3.84Å; V520-L611 PolarHBondContact O-N 3.3Å; L521-L611 CarbonylContact C-O 3.59Å; L521-L611 WeakPolarHBondContact CA-O 3.4Å; L521-L611 HydrophobicContact CD2-CB 3.5Å; L521-L611 HydrophobicContact CD2-CD1 3.93Å; L521-L611 HydrophobicContact CD2-CG 4.36Å; L521-L611 HydrophobicContact CG-CB 4.38Å; V522-L611 PolarHBondContact N-O 2.8Å; L611-V613 PolarHBondContact O-N 2.96Å; L611-F636 HydrophobicContact CD1-CD1 3.81Å; L611-F636 HydrophobicContact CD1-CE1 3.37Å; L611-F636 HydrophobicContact CD1-CZ 3.99Å; L611-W654 HydrophobicContact CD2-CH2 2.96Å; L611-W654 HydrophobicContact CD2-CZ2 3.53Å; L611-W654 HydrophobicContact CD2-CZ3 3.59Å; L611-W654 HydrophobicContact CG-CH2 4.26Å; L611-N669 WeakPolarHBondContact CD2-ND2 2.98Å
612V75.3Confident66.5Low10 Ų1046.8 Ų46.86%0.06127%0.274CS..EExtended strand (participates in β ladder)trans-84.9106.5-178.6-171.40000110.7V522 V614 G627 C628 N669 L671 L675V522-V612 HydrophobicContact CB-CB 4.44Å; V522-V612 HydrophobicContact CB-CG2 3.95Å; V522-V612 HydrophobicContact CG1-CG1 4.41Å; V522-V612 HydrophobicContact CG1-CG2 4.09Å; V522-V612 CarbonylContact O-C 3.54Å; V522-V612 VanDerWaalsContact O-CA 3.22Å; V522-V612 WeakPolarHBondContact O-CA 3.36Å; V612-V614 HydrophobicContact CB-CG2 4.37Å; V612-V614 HydrophobicContact CG1-CG2 3.62Å; V612-V614 PolarHBondContact O-N 3.1Å; V612-G627 CarbonylContact O-C 3.49Å; V612-G627 WeakPolarHBondContact O-CA 3.37Å; V612-C628 PolarHBondContact O-N 3.16Å; V612-C628 PolarHBondContact O-SG 2.98Å; V612-C628 VanDerWaalsContact O-SG 3.37Å; V612-N669 PolarHBondContact N-OD1 3.41Å; V612-L671 HydrophobicContact CB-CB 4.17Å; V612-L671 HydrophobicContact CG1-CB 4.26Å; V612-L671 HydrophobicContact CG1-CD1 4.33Å; V612-L671 HydrophobicContact CG2-CB 3.75Å; V612-L675 HydrophobicContact CG2-CD1 4.1Å
613V65.7Low65.1Low27 Ų2748.3 Ų48.316%0.16429%0.285CS..  trans-80.799.2172.1179.80000107.7L521 V522 G523 L611 R615L521-V613 HydrophobicContact CB-CG2 4.36Å; L521-V613 HydrophobicContact CD2-CG2 3.51Å; L521-V613 HydrophobicContact CG-CG2 4.43Å; V522-V613 PolarHBondContact O-N 3.07Å; G523-V613 WeakPolarHBondContact CA-O 3.49Å; L611-V613 PolarHBondContact O-N 2.96Å; V613-R615 PolarHBondContact O-N 3.03Å
614V59.2Low64Low33 Ų3350 Ų5020%0.230%0.297CS..  trans-86.9107.6-173.2173.30000109V612 P616 L626V612-V614 HydrophobicContact CB-CG2 4.37Å; V612-V614 HydrophobicContact CG1-CG2 3.62Å; V612-V614 PolarHBondContact O-N 3.1Å; V614-P616 VanDerWaalsContact C-CD 3.46Å; V614-P616 HydrophobicContact CG1-CB 3.81Å; V614-P616 HydrophobicContact CG1-CG 3.44Å; V614-P616 VanDerWaalsContact CG1-CG 3.44Å; V614-P616 VanDerWaalsContact O-CD 3.32Å; V614-P616 WeakPolarHBondContact O-CD 3.11Å; V614-L626 HydrophobicContact CG2-CB 4.33Å
615R53.8Low63.3Low194 Ų19449.8 Ų49.873%0.73229%0.291SS*.  trans-102.772.1159-68.6-174.9-171.9160.32.7108.4V613 S617V613-R615 PolarHBondContact O-N 3.03Å; R615-S617 PolarHBondContact O-N 3.09Å
616P48.3Very low62.5Low14 Ų1449.4 Ų49.49%0.09129%0.289CS..  trans-74.2105.8-174.630.2-22.1000107.1V614 C618 L619 S623V614-P616 VanDerWaalsContact C-CD 3.46Å; V614-P616 HydrophobicContact CG1-CB 3.81Å; V614-P616 HydrophobicContact CG1-CG 3.44Å; V614-P616 VanDerWaalsContact CG1-CG 3.44Å; V614-P616 VanDerWaalsContact O-CD 3.32Å; V614-P616 WeakPolarHBondContact O-CD 3.11Å; P616-C618 PolarHBondContact O-N 3.07Å; P616-C618 VanDerWaalsContact O-N 3.14Å; P616-L619 WeakPolarHBondContact CG-O 3.42Å; P616-L619 PolarHBondContact O-N 3.47Å; P616-S623 VanDerWaalsContact CG-CB 3.49Å
617S49.3Very low61.6Low76 Ų7647.7 Ų47.753%0.53127%0.27SS..SBendtrans-59.5-20.7173.249.60000112.1E532 R615E532-S617 PolarHBondContact OE1-OG 3.24Å; R615-S617 PolarHBondContact O-N 3.09Å
618C47.3Very low60.9Low32 Ų3240.6 Ų40.622%0.21623%0.233CC..SBendtrans-89.1-37.3-177.6-42.40000114.2E548 K552 P616E548-C618 PolarHBondContact OE2-SG 2.61Å; K552-C618 WeakPolarHBondContact CE-SG 3.34Å; P616-C618 PolarHBondContact O-N 3.07Å; P616-C618 VanDerWaalsContact O-N 3.14Å
619L55.6Low59.9Low16 Ų1642.5 Ų42.58%0.08424%0.236CC..  trans-145.668.7-165.4-67.8168.4000112.2I555 L576 V580 P616 S621 L622I555-L619 HydrophobicContact CD1-CD1 4.21Å; L576-L619 HydrophobicContact CD1-CD1 3.7Å; L576-L619 HydrophobicContact CD1-CD2 3.29Å; L576-L619 HydrophobicContact CD1-CG 4.11Å; L576-L619 HydrophobicContact CD2-CD1 3.6Å; L576-L619 HydrophobicContact CG-CD1 4.17Å; V580-L619 HydrophobicContact CG2-CD1 4.46Å; P616-L619 WeakPolarHBondContact CG-O 3.42Å; P616-L619 PolarHBondContact O-N 3.47Å; L619-S621 PolarHBondContact O-N 2.8Å; L619-S621 VanDerWaalsContact O-N 3.09Å; L619-L622 HydrophobicContact CB-CB 4.31Å; L619-L622 HydrophobicContact CB-CD1 4.28Å; L619-L622 HydrophobicContact CD1-CD1 4.01Å; L619-L622 HydrophobicContact CD2-CD1 4.34Å; L619-L622 HydrophobicContact CG-CD1 4.42Å; L619-L622 PolarHBondContact O-N 3.49Å
620P52.6Low58.7Low95 Ų9548.2 Ų48.262%0.61727%0.267SS*.G310 helixtrans-53.9-35.1-179.1-23.232.3000112.7L622 S623P620-L622 VanDerWaalsContact C-N 3.29Å; P620-L622 PolarHBondContact O-N 3.32Å; P620-S623 WeakPolarHBondContact O-CB 3.39Å; P620-S623 PolarHBondContact O-N 3.37Å; P620-S623 PolarHBondContact O-OG 3.44Å
621S55.1Low57.3Low75 Ų7549.6 Ų49.652%0.52428%0.282SS..G310 helixtrans-72.7-12.7-177.360.90000115.4L619L619-S621 PolarHBondContact O-N 2.8Å; L619-S621 VanDerWaalsContact O-N 3.09Å
622L57.3Low56.2Low9 Ų953.9 Ų53.95%0.04731%0.308CS..G310 helixtrans-1121.2179.9-67.3165.6000112.6L576 L577 L619 P620 T624 D625L576-L622 HydrophobicContact CB-CD1 3.55Å; L576-L622 HydrophobicContact CD1-CD1 4.13Å; L576-L622 HydrophobicContact CG-CD1 4.43Å; L577-L622 HydrophobicContact CD2-CD2 3.28Å; L577-L622 HydrophobicContact CG-CD2 3.6Å; L619-L622 HydrophobicContact CB-CB 4.31Å; L619-L622 HydrophobicContact CB-CD1 4.28Å; L619-L622 HydrophobicContact CD1-CD1 4.01Å; L619-L622 HydrophobicContact CD2-CD1 4.34Å; L619-L622 HydrophobicContact CG-CD1 4.42Å; L619-L622 PolarHBondContact O-N 3.49Å; P620-L622 VanDerWaalsContact C-N 3.29Å; P620-L622 PolarHBondContact O-N 3.32Å; L622-T624 PolarHBondContact O-N 2.82Å; L622-D625 PolarHBondContact O-N 3.08Å; L622-D625 VanDerWaalsContact O-N 3.09Å
623S56.2Low55.1Low33 Ų3356.7 Ų56.723%0.23132%0.321CS..Hα-helixtrans-55.3-34.5-176.255.60000113.6P616 P620 D625 G627P616-S623 VanDerWaalsContact CG-CB 3.49Å; P620-S623 WeakPolarHBondContact O-CB 3.39Å; P620-S623 PolarHBondContact O-N 3.37Å; P620-S623 PolarHBondContact O-OG 3.44Å; S623-D625 VanDerWaalsContact C-N 3.31Å; S623-D625 PolarHBondContact O-N 3.11Å; S623-G627 PolarHBondContact O-N 2.7Å
624T56.9Low54.5Low93 Ų9359.1 Ų59.157%0.57134%0.339SS*.Hα-helixtrans-68.4-24.6-179.948.80000114.1L622L622-T624 PolarHBondContact O-N 2.82Å
625D61.4Low54.6Low62 Ų6258.3 Ų58.333%0.33234%0.338SS..Hα-helixtrans-86.6-22.1-176.5-78.6-31.9000113.7L622 S623 N668 K670L622-D625 PolarHBondContact O-N 3.08Å; L622-D625 VanDerWaalsContact O-N 3.09Å; S623-D625 VanDerWaalsContact C-N 3.31Å; S623-D625 PolarHBondContact O-N 3.11Å; D625-N668 PolarHBondContact OD1-ND2 2.73Å; D625-K670 WeakPolarHBondContact O-CD 3.43Å
626L58.6Low55.1Low6 Ų649.3 Ų49.33%0.03130%0.304CS..Hα-helixtrans-102.8-29.1-175.4-68.6168.4000113.9V580 Y584 V614 K670 L671V580-L626 HydrophobicContact CG1-CD1 4.24Å; V580-L626 HydrophobicContact CG1-CD2 4.34Å; V580-L626 HydrophobicContact CG2-CD1 3.78Å; Y584-L626 HydrophobicContact CD2-CD1 4.16Å; Y584-L626 HydrophobicContact CE2-CD1 3.97Å; V614-L626 HydrophobicContact CG2-CB 4.33Å; L626-K670 PolarHBondContact O-N 3.29Å; L626-L671 HydrophobicContact CB-CD1 4.11Å; L626-L671 HydrophobicContact CB-CG 4.4Å; L626-L671 HydrophobicContact CD2-CD1 4.49Å; L626-L671 HydrophobicContact CD2-CD2 4.5Å; L626-L671 HydrophobicContact CD2-CG 4.32Å; L626-L671 PolarHBondContact O-N 3.18Å
627G57.5Low55.8Low2 Ų251 Ų512%0.02131%0.314CS..  trans-131.4-167.1-173.600000115.3V612 S623 G667 N668V612-G627 CarbonylContact O-C 3.49Å; V612-G627 WeakPolarHBondContact O-CA 3.37Å; S623-G627 PolarHBondContact O-N 2.7Å; G627-G667 WeakPolarHBondContact O-CA 3.4Å; G627-N668 PolarHBondContact O-N 3.11Å
628C57.9Low56.4Low7 Ų752.5 Ų52.55%0.04731%0.312CS..  trans-134.2146.3179.352.40000111.2V612 I666 N669V612-C628 PolarHBondContact O-N 3.16Å; V612-C628 PolarHBondContact O-SG 2.98Å; V612-C628 VanDerWaalsContact O-SG 3.37Å; C628-I666 VanDerWaalsContact CA-O 3.31Å; C628-I666 WeakPolarHBondContact CA-O 3.07Å; C628-I666 WeakPolarHBondContact CB-O 3.36Å; C628-N669 HydrophobicContact CB-CB 4.46Å
629Y56.2Low57.3Low72 Ų7252.5 Ų52.528%0.28231%0.308SS..  trans42.4122.7164.6-164-110.3000118.5G631 F636Y629-G631 VanDerWaalsContact CD1-N 3.3Å; Y629-F636 HydrophobicContact CD1-CB 3.68Å; Y629-F636 HydrophobicContact CD1-CD2 4.07Å; Y629-F636 HydrophobicContact CD1-CG 4.34Å; Y629-F636 HydrophobicContact CE1-CB 3.86Å; Y629-F636 HydrophobicContact CG-CB 4.43Å; Y629-F636 AromaticContact CG-CD2 3.96Å; Y629-F636 HydrophobicContact CG-CD2 3.96Å
630D52.1Low57.8Low155 Ų15552 Ų5283%0.82931%0.306SS*.SBendtrans-83.1-3.5179.361.4-14.2000114.9
631G52.2Low58.5Low30 Ų3054.1 Ų54.131%0.30931%0.308SS..SBendtrans-88.2-176.2-177.600000115.4Y629Y629-G631 VanDerWaalsContact CD1-N 3.3Å
632T51.4Low59.2Low90 Ų9056.6 Ų56.655%0.55231%0.311SS*.  trans-72.4159.7177.7580000111.8S634 G635 F636T632-S634 VanDerWaalsContact C-N 3.28Å; T632-S634 PolarHBondContact O-N 3.32Å; T632-S634 PolarHBondContact OG1-OG 3.34Å; T632-G635 PolarHBondContact O-N 3.08Å; T632-G635 PolarHBondContact OG1-N 3.28Å; T632-G635 VanDerWaalsContact OG1-N 3.1Å; T632-F636 PolarHBondContact O-N 2.98Å
633E53.5Low59.7Low69 Ų6959.7 Ų59.732%0.32233%0.328SS..Hα-helixtrans-50.4-50.1170.8177169.4-174.700112L521 G635 F636 V637L521-E633 HydrophobicContact CD1-CB 3.27Å; L521-E633 HydrophobicContact CD1-CG 3.43Å; L521-E633 VanDerWaalsContact CD1-CG 3.43Å; E633-G635 VanDerWaalsContact C-N 3.28Å; E633-G635 PolarHBondContact O-N 3.46Å; E633-F636 PolarHBondContact O-N 2.79Å; E633-V637 HydrophobicContact CG-CG2 4.41Å; E633-V637 WeakPolarHBondContact O-CB 3.49Å; E633-V637 VanDerWaalsContact O-CG2 3.3Å; E633-V637 WeakPolarHBondContact O-CG2 3.1Å; E633-V637 PolarHBondContact O-N 2.97Å
634S52.7Low60.4Low79 Ų7969.1 Ų69.155%0.55236%0.358SS*.Hα-helixtrans-56.3-42.1175.551.20000112T632 Q638T632-S634 VanDerWaalsContact C-N 3.28Å; T632-S634 PolarHBondContact O-N 3.32Å; T632-S634 PolarHBondContact OG1-OG 3.34Å; S634-Q638 WeakPolarHBondContact O-CB 3.33Å; S634-Q638 PolarHBondContact O-N 3.48Å
635G60.6Low60.9Low16 Ų1665.6 Ų65.617%0.16534%0.336CS..Hα-helixtrans-68.2-38.1179.600000113.7T632 E633 W639T632-G635 PolarHBondContact O-N 3.08Å; T632-G635 PolarHBondContact OG1-N 3.28Å; T632-G635 VanDerWaalsContact OG1-N 3.1Å; E633-G635 VanDerWaalsContact C-N 3.28Å; E633-G635 PolarHBondContact O-N 3.46Å; G635-W639 VanDerWaalsContact O-CB 3.23Å; G635-W639 WeakPolarHBondContact O-CB 3.31Å; G635-W639 PolarHBondContact O-N 2.78Å
636F64.4Low61.3Low5 Ų565.4 Ų65.42%0.02234%0.339CS..Hα-helixtrans-72-44.6176.2-178.4-96.8000111.7L611 Y629 T632 E633 W639 A640 L650L611-F636 HydrophobicContact CD1-CD1 3.81Å; L611-F636 HydrophobicContact CD1-CE1 3.37Å; L611-F636 HydrophobicContact CD1-CZ 3.99Å; Y629-F636 HydrophobicContact CD1-CB 3.68Å; Y629-F636 HydrophobicContact CD1-CD2 4.07Å; Y629-F636 HydrophobicContact CD1-CG 4.34Å; Y629-F636 HydrophobicContact CE1-CB 3.86Å; Y629-F636 HydrophobicContact CG-CB 4.43Å; Y629-F636 AromaticContact CG-CD2 3.96Å; Y629-F636 HydrophobicContact CG-CD2 3.96Å; T632-F636 PolarHBondContact O-N 2.98Å; E633-F636 PolarHBondContact O-N 2.79Å; F636-W639 HydrophobicContact CD2-CE3 4.14Å; F636-W639 HydrophobicContact CD2-CZ3 4.5Å; F636-W639 AromaticContact CE2-CE3 3.99Å; F636-W639 HydrophobicContact CE2-CE3 3.99Å; F636-W639 AromaticContact CE2-CZ3 3.9Å; F636-W639 HydrophobicContact CE2-CZ3 3.9Å; F636-W639 HydrophobicContact CZ-CZ3 4.42Å; F636-W639 PolarHBondContact O-N 3.47Å; F636-A640 HydrophobicContact CE1-CB 4.5Å; F636-A640 WeakPolarHBondContact O-CB 3.3Å; F636-A640 PolarHBondContact O-N 3.06Å; F636-L650 HydrophobicContact CE1-CD1 4.22Å; F636-L650 HydrophobicContact CZ-CD1 3.9Å
637V62.4Low61.7Low49 Ų4965.8 Ų65.830%0.29734%0.343SS..Hα-helixtrans-61.7-49.4178.2172.40000109.8E633 W639 A640 E641E633-V637 HydrophobicContact CG-CG2 4.41Å; E633-V637 WeakPolarHBondContact O-CB 3.49Å; E633-V637 VanDerWaalsContact O-CG2 3.3Å; E633-V637 WeakPolarHBondContact O-CG2 3.1Å; E633-V637 PolarHBondContact O-N 2.97Å; V637-W639 VanDerWaalsContact C-N 3.35Å; V637-W639 PolarHBondContact O-N 3.39Å; V637-A640 PolarHBondContact O-N 3.46Å; V637-A640 VanDerWaalsContact O-N 3.16Å; V637-E641 HydrophobicContact CG1-CG 4.26Å; V637-E641 WeakPolarHBondContact CG1-OE1 3.31Å; V637-E641 WeakPolarHBondContact O-CB 3.45Å; V637-E641 VanDerWaalsContact O-CG 3.31Å; V637-E641 WeakPolarHBondContact O-CG 3.47Å; V637-E641 PolarHBondContact O-N 3.18Å
638Q62.1Low62.3Low108 Ų10870 Ų7051%0.50537%0.365SS..Hα-helixtrans-57.6-46.8175.8-177.7179.3-6.800111.3S634 A640 E641 E642S634-Q638 WeakPolarHBondContact O-CB 3.33Å; S634-Q638 PolarHBondContact O-N 3.48Å; Q638-A640 PolarHBondContact O-N 3.23Å; Q638-E641 PolarHBondContact O-N 3.35Å; Q638-E642 HydrophobicContact CG-CG 4.23Å; Q638-E642 VanDerWaalsContact CG-OE1 3.27Å; Q638-E642 WeakPolarHBondContact CG-OE1 3.35Å; Q638-E642 PolarHBondContact NE2-OE1 3.13Å; Q638-E642 VanDerWaalsContact O-CB 3.24Å; Q638-E642 WeakPolarHBondContact O-CB 3.49Å; Q638-E642 WeakPolarHBondContact O-CG 3.17Å; Q638-E642 PolarHBondContact O-N 3.43Å
639W67.2Low63.1Low31 Ų3173 Ų7312%0.11738%0.377CS..Hα-helixtrans-61.5-42.2176.8173.475.2000112.6G635 F636 V637 N643 I645 M663 I666G635-W639 VanDerWaalsContact O-CB 3.23Å; G635-W639 WeakPolarHBondContact O-CB 3.31Å; G635-W639 PolarHBondContact O-N 2.78Å; F636-W639 HydrophobicContact CD2-CE3 4.14Å; F636-W639 HydrophobicContact CD2-CZ3 4.5Å; F636-W639 AromaticContact CE2-CE3 3.99Å; F636-W639 HydrophobicContact CE2-CE3 3.99Å; F636-W639 AromaticContact CE2-CZ3 3.9Å; F636-W639 HydrophobicContact CE2-CZ3 3.9Å; F636-W639 HydrophobicContact CZ-CZ3 4.42Å; F636-W639 PolarHBondContact O-N 3.47Å; V637-W639 VanDerWaalsContact C-N 3.35Å; V637-W639 PolarHBondContact O-N 3.39Å; W639-N643 VanDerWaalsContact CD1-ND2 3.29Å; W639-N643 PolarHBondContact NE1-ND2 2.9Å; W639-N643 WeakPolarHBondContact O-CB 3.4Å; W639-N643 PolarHBondContact O-N 3.47Å; W639-N643 PolarHBondContact O-ND2 3.12Å; W639-I645 HydrophobicContact CE3-CD1 4.23Å; W639-I645 HydrophobicContact CH2-CD1 3.17Å; W639-I645 HydrophobicContact CZ2-CD1 3.66Å; W639-I645 HydrophobicContact CZ3-CD1 3.51Å; W639-M663 HydrophobicContact CH2-SD 3.87Å; W639-M663 HydrophobicContact CZ2-CE 4.27Å; W639-M663 HydrophobicContact CZ2-SD 3.85Å; W639-I666 HydrophobicContact CH2-CD1 3.67Å; W639-I666 HydrophobicContact CH2-CG1 3.35Å; W639-I666 HydrophobicContact CZ2-CG1 4.38Å; W639-I666 HydrophobicContact CZ3-CD1 4.24Å; W639-I666 HydrophobicContact CZ3-CG1 3.79Å
640A65.8Low63.8Low7 Ų769.5 Ų69.56%0.05836%0.364CS..Hα-helixtrans-66.5-41.9178.400000111.7F636 V637 Q638 N643 R644 I645F636-A640 HydrophobicContact CE1-CB 4.5Å; F636-A640 WeakPolarHBondContact O-CB 3.3Å; F636-A640 PolarHBondContact O-N 3.06Å; V637-A640 PolarHBondContact O-N 3.46Å; V637-A640 VanDerWaalsContact O-N 3.16Å; Q638-A640 PolarHBondContact O-N 3.23Å; A640-N643 CarbonylContact O-C 3.6Å; A640-N643 PolarHBondContact O-N 3.07Å; A640-R644 PolarHBondContact O-N 2.88Å; A640-I645 HydrophobicContact CB-CB 4.24Å; A640-I645 PolarHBondContact O-N 3.39Å
641E66.5Low64.7Low139 Ų13963.5 Ų63.565%0.6533%0.333SS*.Hα-helixtrans-65.1-48.5175.8-73.2177.3170.100111.5V637 Q638 N643 R644V637-E641 HydrophobicContact CG1-CG 4.26Å; V637-E641 WeakPolarHBondContact CG1-OE1 3.31Å; V637-E641 WeakPolarHBondContact O-CB 3.45Å; V637-E641 VanDerWaalsContact O-CG 3.31Å; V637-E641 WeakPolarHBondContact O-CG 3.47Å; V637-E641 PolarHBondContact O-N 3.18Å; Q638-E641 PolarHBondContact O-N 3.35Å; E641-N643 PolarHBondContact O-N 3.47Å; E641-R644 PolarHBondContact O-N 3.4Å
642E70.7Confident65.6Low126 Ų12667.7 Ų67.759%0.58934%0.34SS*.Hα-helixtrans-56.9-35.4175.9-77.4174.1-179.200112Q638Q638-E642 HydrophobicContact CG-CG 4.23Å; Q638-E642 VanDerWaalsContact CG-OE1 3.27Å; Q638-E642 WeakPolarHBondContact CG-OE1 3.35Å; Q638-E642 PolarHBondContact NE2-OE1 3.13Å; Q638-E642 VanDerWaalsContact O-CB 3.24Å; Q638-E642 WeakPolarHBondContact O-CB 3.49Å; Q638-E642 WeakPolarHBondContact O-CG 3.17Å; Q638-E642 PolarHBondContact O-N 3.43Å
643N67.3Low66.6Low75 Ų7564.3 Ų64.340%0.40132%0.32SS..THydrogen-bonded Turntrans-95.66179.7-69.5-91.6000113.4W639 A640 E641 I645W639-N643 VanDerWaalsContact CD1-ND2 3.29Å; W639-N643 PolarHBondContact NE1-ND2 2.9Å; W639-N643 WeakPolarHBondContact O-CB 3.4Å; W639-N643 PolarHBondContact O-N 3.47Å; W639-N643 PolarHBondContact O-ND2 3.12Å; A640-N643 CarbonylContact O-C 3.6Å; A640-N643 PolarHBondContact O-N 3.07Å; E641-N643 PolarHBondContact O-N 3.47Å; N643-I645 HydrophobicContact CB-CD1 3.67Å; N643-I645 HydrophobicContact CB-CG1 3.64Å; N643-I645 PolarHBondContact O-N 2.98Å
644R71Confident67.6Low231 Ų23162 Ų6287%0.87231%0.308SS*.THydrogen-bonded Turntrans5236.7-178.7-56.8-178.3-179.9-177.2-1113.5A640 E641 S646A640-R644 PolarHBondContact O-N 2.88Å; E641-R644 PolarHBondContact O-N 3.4Å; R644-S646 PolarHBondContact O-N 3.31Å
645I68Low68.5Low19 Ų1961.4 Ų61.410%0.09731%0.308CS..  trans-83109.2-177.9-61.2-178.1000107.9W639 A640 N643 F649 L650 M663W639-I645 HydrophobicContact CE3-CD1 4.23Å; W639-I645 HydrophobicContact CH2-CD1 3.17Å; W639-I645 HydrophobicContact CZ2-CD1 3.66Å; W639-I645 HydrophobicContact CZ3-CD1 3.51Å; A640-I645 HydrophobicContact CB-CB 4.24Å; A640-I645 PolarHBondContact O-N 3.39Å; N643-I645 HydrophobicContact CB-CD1 3.67Å; N643-I645 HydrophobicContact CB-CG1 3.64Å; N643-I645 PolarHBondContact O-N 2.98Å; I645-F649 HydrophobicContact CG2-CD1 3.73Å; I645-F649 HydrophobicContact CG2-CE1 4.3Å; I645-L650 HydrophobicContact CG2-CD1 3.61Å; I645-L650 HydrophobicContact CG2-CD2 3.79Å; I645-L650 HydrophobicContact CG2-CG 3.4Å; I645-L650 VanDerWaalsContact CG2-CG 3.4Å; I645-M663 HydrophobicContact CD1-SD 4.05Å
646S70.3Confident68.9Low57 Ų5764.4 Ų64.440%0.39932%0.32SS..  trans-76.3156.5177.9730000112.3R644 D648 F649 L650R644-S646 PolarHBondContact O-N 3.31Å; S646-D648 VanDerWaalsContact C-N 3.3Å; S646-D648 PolarHBondContact O-N 3.49Å; S646-F649 WeakPolarHBondContact O-CB 3.35Å; S646-F649 PolarHBondContact O-N 3.14Å; S646-F649 VanDerWaalsContact O-N 3.09Å; S646-F649 VanDerWaalsContact OG-CB 3.27Å; S646-F649 WeakPolarHBondContact OG-CB 3.27Å; S646-F649 PolarHBondContact OG-N 3.36Å; S646-L650 PolarHBondContact O-N 3.14Å
647A66.9Low68.5Low14 Ų1465.2 Ų65.212%0.11633%0.33CS..Hα-helixtrans-57.1-44.6173.400000112.9N518 F519 Q609 F649 L650 C651N518-A647 HydrophobicContact CB-CB 3.48Å; N518-A647 VanDerWaalsContact CB-CB 3.48Å; F519-A647 HydrophobicContact CE1-CB 4.36Å; F519-A647 HydrophobicContact CE2-CB 3.78Å; F519-A647 VanDerWaalsContact CZ-CA 3.46Å; F519-A647 HydrophobicContact CZ-CB 3.63Å; Q609-A647 HydrophobicContact CG-CB 4.26Å; A647-F649 VanDerWaalsContact C-N 3.31Å; A647-F649 PolarHBondContact O-N 2.8Å; A647-L650 PolarHBondContact O-N 3.5Å; A647-C651 PolarHBondContact O-N 2.89Å; A647-C651 PolarHBondContact O-SG 3.49Å
648D69.6Low68.3Low91 Ų9169.8 Ų69.849%0.48735%0.352SS..Hα-helixtrans-60.7-38.1174.1175.875.7000112.8S646 C651 R652S646-D648 VanDerWaalsContact C-N 3.3Å; S646-D648 PolarHBondContact O-N 3.49Å; D648-C651 WeakPolarHBondContact O-CB 3.39Å; D648-C651 PolarHBondContact O-N 2.83Å; D648-R652 WeakPolarHBondContact O-CB 3.38Å; D648-R652 WeakPolarHBondContact O-CG 3.39Å; D648-R652 PolarHBondContact O-N 3.41Å; D648-R652 IonicContact OD2-CZ 2.72Å; D648-R652 IonicContact OD2-NE 2.79Å; D648-R652 PolarHBondContact OD2-NE 3.42Å; D648-R652 IonicContact OD2-NH2 2.62Å; D648-R652 PolarHBondContact OD2-NH2 2.92Å
649F73.4Confident68Low69 Ų6972.4 Ų72.430%0.30337%0.365SS..Hα-helixtrans-65.8-42.1175.1176.8-93.7000111.6I645 S646 A647 R652 C653 V660I645-F649 HydrophobicContact CG2-CD1 3.73Å; I645-F649 HydrophobicContact CG2-CE1 4.3Å; S646-F649 WeakPolarHBondContact O-CB 3.35Å; S646-F649 PolarHBondContact O-N 3.14Å; S646-F649 VanDerWaalsContact O-N 3.09Å; S646-F649 VanDerWaalsContact OG-CB 3.27Å; S646-F649 WeakPolarHBondContact OG-CB 3.27Å; S646-F649 PolarHBondContact OG-N 3.36Å; A647-F649 VanDerWaalsContact C-N 3.31Å; A647-F649 PolarHBondContact O-N 2.8Å; F649-R652 PolarHBondContact O-N 3.37Å; F649-C653 WeakPolarHBondContact CE1-SG 2.96Å; F649-C653 VanDerWaalsContact CZ-SG 3.52Å; F649-C653 PolarHBondContact O-N 3.43Å; F649-C653 PolarHBondContact O-SG 3.1Å; F649-V660 HydrophobicContact CE2-CG1 3.85Å; F649-V660 HydrophobicContact CZ-CG1 3.89Å
650L71.7Confident67.4Low0 Ų072.4 Ų72.40%037%0.368CS..Hα-helixtrans-62.9-43.3175.1-79.3167.3000112F519 F636 I645 S646 A647 R652 C653 W654 I666F519-L650 HydrophobicContact CE1-CB 4.25Å; F519-L650 HydrophobicContact CE1-CD1 3.78Å; F519-L650 HydrophobicContact CE2-CD1 4.14Å; F519-L650 HydrophobicContact CZ-CB 4.15Å; F519-L650 HydrophobicContact CZ-CD1 3.27Å; F519-L650 HydrophobicContact CZ-CG 4.27Å; F636-L650 HydrophobicContact CE1-CD1 4.22Å; F636-L650 HydrophobicContact CZ-CD1 3.9Å; I645-L650 HydrophobicContact CG2-CD1 3.61Å; I645-L650 HydrophobicContact CG2-CD2 3.79Å; I645-L650 HydrophobicContact CG2-CG 3.4Å; I645-L650 VanDerWaalsContact CG2-CG 3.4Å; S646-L650 PolarHBondContact O-N 3.14Å; A647-L650 PolarHBondContact O-N 3.5Å; L650-R652 VanDerWaalsContact C-N 3.32Å; L650-R652 PolarHBondContact O-N 2.81Å; L650-C653 WeakPolarHBondContact O-CB 3.22Å; L650-C653 PolarHBondContact O-N 2.94Å; L650-W654 HydrophobicContact CB-CE3 4.32Å; L650-W654 HydrophobicContact CB-CH2 3.7Å; L650-W654 HydrophobicContact CB-CZ2 4.44Å; L650-W654 HydrophobicContact CB-CZ3 3.72Å; L650-W654 HydrophobicContact CD1-CH2 4.26Å; L650-W654 HydrophobicContact CD2-CH2 3.87Å; L650-W654 HydrophobicContact CD2-CZ2 3.89Å; L650-W654 HydrophobicContact CG-CH2 4.13Å; L650-W654 PolarHBondContact O-N 3.36Å; L650-I666 HydrophobicContact CD2-CD1 3.71Å; L650-I666 HydrophobicContact CD2-CG1 4.4Å; L650-I666 HydrophobicContact CD2-CG2 3.58Å
651C70.5Confident66.8Low28 Ų2877.5 Ų77.519%0.18940%0.401CS..Hα-helixtrans-55-48.2171.4-59.80000111.7Q609 A647 D648 C653 W654 A655Q609-C651 PolarHBondContact NE2-SG 3.45Å; Q609-C651 PolarHBondContact OE1-SG 3.28Å; A647-C651 PolarHBondContact O-N 2.89Å; A647-C651 PolarHBondContact O-SG 3.49Å; D648-C651 WeakPolarHBondContact O-CB 3.39Å; D648-C651 PolarHBondContact O-N 2.83Å; C651-C653 VanDerWaalsContact C-N 3.33Å; C651-C653 PolarHBondContact O-N 3.32Å; C651-W654 PolarHBondContact O-N 2.71Å; C651-A655 WeakPolarHBondContact O-CB 3.3Å; C651-A655 PolarHBondContact O-N 2.61Å
652R72.2Confident66.1Low118 Ų11878.8 Ų78.845%0.44540%0.399SS..Hα-helixtrans-64-38.3179.9-76.5-173-79.7158.8-5.8111.8D648 F649 L650 N656D648-R652 WeakPolarHBondContact O-CB 3.38Å; D648-R652 WeakPolarHBondContact O-CG 3.39Å; D648-R652 PolarHBondContact O-N 3.41Å; D648-R652 IonicContact OD2-CZ 2.72Å; D648-R652 IonicContact OD2-NE 2.79Å; D648-R652 PolarHBondContact OD2-NE 3.42Å; D648-R652 IonicContact OD2-NH2 2.62Å; D648-R652 PolarHBondContact OD2-NH2 2.92Å; F649-R652 PolarHBondContact O-N 3.37Å; L650-R652 VanDerWaalsContact C-N 3.32Å; L650-R652 PolarHBondContact O-N 2.81Å; R652-N656 WeakPolarHBondContact O-CB 3.46Å; R652-N656 PolarHBondContact O-N 3.43Å
653C71.8Confident65.4Low19 Ų1976.8 Ų76.813%0.12839%0.391CS..Hα-helixtrans-62.1-46.2175.5-69.30000112.1F649 L650 C651 G657 V660F649-C653 WeakPolarHBondContact CE1-SG 2.96Å; F649-C653 VanDerWaalsContact CZ-SG 3.52Å; F649-C653 PolarHBondContact O-N 3.43Å; F649-C653 PolarHBondContact O-SG 3.1Å; L650-C653 WeakPolarHBondContact O-CB 3.22Å; L650-C653 PolarHBondContact O-N 2.94Å; C651-C653 VanDerWaalsContact C-N 3.33Å; C651-C653 PolarHBondContact O-N 3.32Å; C653-G657 WeakPolarHBondContact O-CA 3.23Å; C653-V660 WeakPolarHBondContact SG-CG1 3.37Å
654W75.1Confident64.6Low22 Ų2279.1 Ų79.18%0.08341%0.412CS..Hα-helixtrans-78.3-36.5-179.3-63-46.6000113.4F519 L611 L650 C651 I666 G667 N668 N669 L673F519-W654 HydrophobicContact CE1-CH2 4.38Å; F519-W654 HydrophobicContact CE1-CZ3 4.39Å; L611-W654 HydrophobicContact CD2-CH2 2.96Å; L611-W654 HydrophobicContact CD2-CZ2 3.53Å; L611-W654 HydrophobicContact CD2-CZ3 3.59Å; L611-W654 HydrophobicContact CG-CH2 4.26Å; L650-W654 HydrophobicContact CB-CE3 4.32Å; L650-W654 HydrophobicContact CB-CH2 3.7Å; L650-W654 HydrophobicContact CB-CZ2 4.44Å; L650-W654 HydrophobicContact CB-CZ3 3.72Å; L650-W654 HydrophobicContact CD1-CH2 4.26Å; L650-W654 HydrophobicContact CD2-CH2 3.87Å; L650-W654 HydrophobicContact CD2-CZ2 3.89Å; L650-W654 HydrophobicContact CG-CH2 4.13Å; L650-W654 PolarHBondContact O-N 3.36Å; C651-W654 PolarHBondContact O-N 2.71Å; W654-I666 HydrophobicContact CH2-CG2 4.42Å; W654-I666 HydrophobicContact CZ2-CG2 3.3Å; W654-G667 PolarHBondContact NE1-O 3.47Å; W654-N668 VanDerWaalsContact CD1-C 3.49Å; W654-N668 VanDerWaalsContact CD1-O 3.32Å; W654-N669 HydrophobicContact CD2-CB 3.63Å; W654-N669 VanDerWaalsContact CE2-CB 3.46Å; W654-N669 HydrophobicContact CE3-CB 4.12Å; W654-N669 HydrophobicContact CG-CB 4Å; W654-N669 HydrophobicContact CZ2-CB 3.92Å; W654-N669 WeakPolarHBondContact CZ3-ND2 3.24Å; W654-L673 HydrophobicContact CB-CD1 3.7Å; W654-L673 HydrophobicContact CB-CD2 4.34Å; W654-L673 HydrophobicContact CB-CG 4.18Å
655A71Confident63.8Low66 Ų6674.6 Ų74.655%0.54540%0.399SS..Hα-helixtrans-74.5-38.1-177.900000112.7C651C651-A655 WeakPolarHBondContact O-CB 3.3Å; C651-A655 PolarHBondContact O-N 2.61Å
656N69.1Low63.6Low79 Ų7974 Ų7442%0.42240%0.395SS..THydrogen-bonded Turntrans-108.336.4-175.1-60.3-31.3000111.7R652 D658 Q659R652-N656 WeakPolarHBondContact O-CB 3.46Å; R652-N656 PolarHBondContact O-N 3.43Å; N656-D658 PolarHBondContact O-N 2.84Å; N656-Q659 HydrophobicContact CB-CB 4.38Å; N656-Q659 PolarHBondContact O-N 3.3Å
657G55.5Low63.4Low21 Ų2172.2 Ų72.222%0.21639%0.386CS..THydrogen-bonded Turntrans-44.60.4-163.300000120.3C653 R662C653-G657 WeakPolarHBondContact O-CA 3.23Å; G657-R662 PolarHBondContact O-NE 3.24Å; G657-R662 PolarHBondContact O-NH2 2.93Å
658D58Low63.5Low145 Ų14573.2 Ų73.278%0.77539%0.389SS*.THydrogen-bonded Turntrans-114.8-9173.8-56.6-27.3000113.8N656 R662N656-D658 PolarHBondContact O-N 2.84Å; D658-R662 IonicContact OD1-NH2 3.78Å; D658-R662 PolarHBondContact OD1-NH2 3.16Å
659Q57.2Low64Low164 Ų16468.9 Ų68.977%0.76637%0.366SS*.SBendtrans-105.6-9.1-175-62.7-167.7-0.600114.7N656N656-Q659 HydrophobicContact CB-CB 4.38Å; N656-Q659 PolarHBondContact O-N 3.3Å
660V54.3Low64.4Low31 Ų3168.8 Ų68.819%0.18837%0.366CS..SBendtrans-123.7136.2178.7-165.70000108.6F649 C653 R662F649-V660 HydrophobicContact CE2-CG1 3.85Å; F649-V660 HydrophobicContact CZ-CG1 3.89Å; C653-V660 WeakPolarHBondContact SG-CG1 3.37Å; V660-R662 PolarHBondContact O-N 3.36Å
661P52.1Low65Low114 Ų11469.3 Ų69.374%0.7437%0.369SS*.  trans-53.8114.4-179.3-24.533000110.9M663P661-M663 PolarHBondContact O-N 3.36Å
662R52.4Low65.7Low165 Ų16568 Ų6862%0.62336%0.36SS*.  trans-63.8105.7177.9-68.9-170.7-172.4-178.95.5108.9G657 D658 V660 C664G657-R662 PolarHBondContact O-NE 3.24Å; G657-R662 PolarHBondContact O-NH2 2.93Å; D658-R662 IonicContact OD1-NH2 3.78Å; D658-R662 PolarHBondContact OD1-NH2 3.16Å; V660-R662 PolarHBondContact O-N 3.36Å; R662-C664 PolarHBondContact O-N 3.46Å
663M55.1Low66.4Low85 Ų8564.3 Ų64.342%0.41935%0.348SS..  trans-71.7109.6164.9-74.8-177.3134.300107.6W639 I645 P661 K665 I666W639-M663 HydrophobicContact CH2-SD 3.87Å; W639-M663 HydrophobicContact CZ2-CE 4.27Å; W639-M663 HydrophobicContact CZ2-SD 3.85Å; I645-M663 HydrophobicContact CD1-SD 4.05Å; P661-M663 PolarHBondContact O-N 3.36Å; M663-K665 PolarHBondContact O-N 3.41Å; M663-I666 HydrophobicContact CB-CD1 3.54Å; M663-I666 HydrophobicContact CB-CG1 3.7Å; M663-I666 HydrophobicContact CG-CD1 4.15Å; M663-I666 PolarHBondContact O-N 2.97Å; M663-I666 HydrophobicContact SD-CD1 3.84Å
664C52.5Low67.2Low124 Ų12464.7 Ų64.784%0.83835%0.348SS*.G310 helixtrans-50.6-30.4-179.450.90000113.7R662 I666R662-C664 PolarHBondContact O-N 3.46Å; C664-I666 VanDerWaalsContact C-N 3.31Å; C664-I666 PolarHBondContact O-N 3.43Å
665K53.8Low67.9Low136 Ų13663.9 Ų63.959%0.59135%0.346SS*.G310 helixtrans-68.1-22.4178.3-67.9-170174.1-171.90114.7M663M663-K665 PolarHBondContact O-N 3.41Å
666I62.3Low68.7Low5 Ų561.8 Ų61.83%0.02633%0.325CS..G310 helixtrans-84.9-24.3-174.8-52.9177.1000111.6C628 W639 L650 W654 M663 C664C628-I666 VanDerWaalsContact CA-O 3.31Å; C628-I666 WeakPolarHBondContact CA-O 3.07Å; C628-I666 WeakPolarHBondContact CB-O 3.36Å; W639-I666 HydrophobicContact CH2-CD1 3.67Å; W639-I666 HydrophobicContact CH2-CG1 3.35Å; W639-I666 HydrophobicContact CZ2-CG1 4.38Å; W639-I666 HydrophobicContact CZ3-CD1 4.24Å; W639-I666 HydrophobicContact CZ3-CG1 3.79Å; L650-I666 HydrophobicContact CD2-CD1 3.71Å; L650-I666 HydrophobicContact CD2-CG1 4.4Å; L650-I666 HydrophobicContact CD2-CG2 3.58Å; W654-I666 HydrophobicContact CH2-CG2 4.42Å; W654-I666 HydrophobicContact CZ2-CG2 3.3Å; M663-I666 HydrophobicContact CB-CD1 3.54Å; M663-I666 HydrophobicContact CB-CG1 3.7Å; M663-I666 HydrophobicContact CG-CD1 4.15Å; M663-I666 PolarHBondContact O-N 2.97Å; M663-I666 HydrophobicContact SD-CD1 3.84Å; C664-I666 VanDerWaalsContact C-N 3.31Å; C664-I666 PolarHBondContact O-N 3.43Å
667G66.2Low69.7Low20 Ų2064.7 Ų64.721%0.20633%0.334CS..  trans63.6-175.6-171.100000113.2G627 W654G627-G667 WeakPolarHBondContact O-CA 3.4Å; W654-G667 PolarHBondContact NE1-O 3.47Å
668N70.7Confident71.2Confident35 Ų3564.5 Ų64.519%0.18733%0.328CS..  trans-93.5-15.2-174.2-67.1-35.1000114.5D625 G627 W654 K670D625-N668 PolarHBondContact OD1-ND2 2.73Å; G627-N668 PolarHBondContact O-N 3.11Å; W654-N668 VanDerWaalsContact CD1-C 3.49Å; W654-N668 VanDerWaalsContact CD1-O 3.32Å; N668-K670 HydrophobicContact CB-CD 4.5Å; N668-K670 HydrophobicContact CB-CG 3.82Å; N668-K670 PolarHBondContact O-N 3.35Å
669N79.5Confident72.6Confident0 Ų058.5 Ų58.50%029%0.294CS..  trans41.835.9-177.9-165.930.3000114.9L610 L611 V612 C628 W654 L671 G672 L673L610-N669 PolarHBondContact O-ND2 2.96Å; L610-N669 PolarHBondContact O-OD1 3.25Å; L611-N669 WeakPolarHBondContact CD2-ND2 2.98Å; V612-N669 PolarHBondContact N-OD1 3.41Å; C628-N669 HydrophobicContact CB-CB 4.46Å; W654-N669 HydrophobicContact CD2-CB 3.63Å; W654-N669 VanDerWaalsContact CE2-CB 3.46Å; W654-N669 HydrophobicContact CE3-CB 4.12Å; W654-N669 HydrophobicContact CG-CB 4Å; W654-N669 HydrophobicContact CZ2-CB 3.92Å; W654-N669 WeakPolarHBondContact CZ3-ND2 3.24Å; N669-L671 VanDerWaalsContact C-N 3.29Å; N669-L671 PolarHBondContact O-N 3.29Å; N669-G672 PolarHBondContact O-N 2.65Å; N669-G672 VanDerWaalsContact O-N 3.11Å; N669-G672 WeakPolarHBondContact OD1-CA 3.45Å; N669-G672 PolarHBondContact OD1-N 3.07Å; N669-L673 PolarHBondContact O-N 2.81Å
670K81.4Confident73.7Confident68 Ų6853.9 Ų53.930%0.29628%0.28SS..Hα-helixtrans-61.3-38.1-173.9-65.1-173177.3-179.50112.3E581 D625 L626 N668 H674E581-K670 HydrophobicContact CG-CD 4.45Å; E581-K670 VanDerWaalsContact OE2-CD 3.24Å; E581-K670 WeakPolarHBondContact OE2-CD 3.44Å; E581-K670 WeakPolarHBondContact OE2-CE 3.49Å; E581-K670 IonicContact OE2-NZ 2.95Å; E581-K670 PolarHBondContact OE2-NZ 2.73Å; D625-K670 WeakPolarHBondContact O-CD 3.43Å; L626-K670 PolarHBondContact O-N 3.29Å; N668-K670 HydrophobicContact CB-CD 4.5Å; N668-K670 HydrophobicContact CB-CG 3.82Å; N668-K670 PolarHBondContact O-N 3.35Å; K670-H674 PolarHBondContact O-N 2.62Å
671L83.8Confident74.8Confident11 Ų1154.9 Ų54.96%0.05829%0.288CS..Hα-helixtrans-69.1-38176.4-65.8178.9000111.8Y584 V612 L626 N669 L673 H674 L675Y584-L671 HydrophobicContact CD1-CD1 3.82Å; Y584-L671 HydrophobicContact CD1-CD2 4.33Å; Y584-L671 HydrophobicContact CE1-CD1 4.34Å; Y584-L671 HydrophobicContact CG-CD1 4.35Å; Y584-L671 HydrophobicContact CG-CD2 4.28Å; V612-L671 HydrophobicContact CB-CB 4.17Å; V612-L671 HydrophobicContact CG1-CB 4.26Å; V612-L671 HydrophobicContact CG1-CD1 4.33Å; V612-L671 HydrophobicContact CG2-CB 3.75Å; L626-L671 HydrophobicContact CB-CD1 4.11Å; L626-L671 HydrophobicContact CB-CG 4.4Å; L626-L671 HydrophobicContact CD2-CD1 4.49Å; L626-L671 HydrophobicContact CD2-CD2 4.5Å; L626-L671 HydrophobicContact CD2-CG 4.32Å; L626-L671 PolarHBondContact O-N 3.18Å; N669-L671 VanDerWaalsContact C-N 3.29Å; N669-L671 PolarHBondContact O-N 3.29Å; L671-L673 PolarHBondContact O-N 3.25Å; L671-H674 WeakPolarHBondContact O-CB 3.48Å; L671-H674 PolarHBondContact O-N 3.05Å; L671-H674 VanDerWaalsContact O-N 3.15Å; L671-L675 WeakPolarHBondContact O-CG 3.26Å; L671-L675 PolarHBondContact O-N 3.29Å
672G85.8Confident75.7Confident0 Ų050.9 Ų50.90%026%0.26CS..Hα-helixtrans-62.4-43.7175.400000112L610 N669 H674 L675 M676L610-G672 WeakPolarHBondContact O-CA 3.39Å; N669-G672 PolarHBondContact O-N 2.65Å; N669-G672 VanDerWaalsContact O-N 3.11Å; N669-G672 WeakPolarHBondContact OD1-CA 3.45Å; N669-G672 PolarHBondContact OD1-N 3.07Å; G672-H674 VanDerWaalsContact C-N 3.33Å; G672-H674 PolarHBondContact O-N 3.21Å; G672-L675 PolarHBondContact O-N 3.11Å; G672-M676 WeakPolarHBondContact O-CE 3.14Å; G672-M676 WeakPolarHBondContact O-CG 3.34Å; G672-M676 PolarHBondContact O-N 3.4Å
673L86.1Confident76Confident40 Ų4046.9 Ų46.921%0.20926%0.256CS..Hα-helixtrans-61.5-38.8172.1-70.9179.4000112.7W654 N669 L671 M676 K677W654-L673 HydrophobicContact CB-CD1 3.7Å; W654-L673 HydrophobicContact CB-CD2 4.34Å; W654-L673 HydrophobicContact CB-CG 4.18Å; N669-L673 PolarHBondContact O-N 2.81Å; L671-L673 PolarHBondContact O-N 3.25Å; L673-M676 HydrophobicContact CD2-CE 4.32Å; L673-M676 PolarHBondContact O-N 3.46Å; L673-K677 WeakPolarHBondContact O-CG 3.21Å; L673-K677 PolarHBondContact O-N 3.39Å
674H89.5Confident75.8Confident27 Ų2746.5 Ų46.513%0.12526%0.262CS..Hα-helixtrans-65.6-43.8176-172.467.1000112K585 T589 K670 L671 G672 M676 K677 L678K585-H674 HydrophobicContact CG-CB 4.41Å; K585-H674 PolarHBondContact O-NE2 3.42Å; T589-H674 PolarHBondContact OG1-CE1 3.47Å; T589-H674 PolarHBondContact OG1-NE2 3.48Å; K670-H674 PolarHBondContact O-N 2.62Å; L671-H674 WeakPolarHBondContact O-CB 3.48Å; L671-H674 PolarHBondContact O-N 3.05Å; L671-H674 VanDerWaalsContact O-N 3.15Å; G672-H674 VanDerWaalsContact C-N 3.33Å; G672-H674 PolarHBondContact O-N 3.21Å; H674-M676 VanDerWaalsContact C-N 3.32Å; H674-M676 PolarHBondContact O-N 3.34Å; H674-K677 WeakPolarHBondContact O-CB 3.26Å; H674-K677 PolarHBondContact O-N 3.29Å; H674-K677 VanDerWaalsContact O-N 3.15Å; H674-L678 PolarHBondContact O-N 3.45Å
675L89.2Confident75.6Confident5 Ų543.7 Ų43.73%0.02624%0.241CC..Hα-helixtrans-60.8-41174.5-69176.5000111.9V522 T588 F592 L602 L610 V612 L671 G672 K677 L678 R679V522-L675 HydrophobicContact CG1-CD1 4.01Å; V522-L675 HydrophobicContact CG2-CD1 4.18Å; T588-L675 HydrophobicContact CG2-CD2 3.48Å; T588-L675 VanDerWaalsContact CG2-CD2 3.48Å; T588-L675 HydrophobicContact CG2-CG 4.44Å; F592-L675 HydrophobicContact CD2-CD2 3.81Å; F592-L675 HydrophobicContact CE1-CD2 4.44Å; F592-L675 HydrophobicContact CE2-CD2 3.22Å; F592-L675 HydrophobicContact CZ-CD2 3.56Å; L602-L675 HydrophobicContact CD1-CB 4.07Å; L602-L675 HydrophobicContact CD1-CD2 4.48Å; L610-L675 HydrophobicContact CD1-CB 3.54Å; L610-L675 HydrophobicContact CD1-CD1 4.48Å; V612-L675 HydrophobicContact CG2-CD1 4.1Å; L671-L675 WeakPolarHBondContact O-CG 3.26Å; L671-L675 PolarHBondContact O-N 3.29Å; G672-L675 PolarHBondContact O-N 3.11Å; L675-K677 VanDerWaalsContact C-N 3.33Å; L675-K677 PolarHBondContact O-N 3Å; L675-L678 PolarHBondContact O-N 3.47Å; L675-R679 WeakPolarHBondContact O-CB 3.29Å; L675-R679 PolarHBondContact O-N 3.29Å
676M89.2Confident75.2Confident22 Ų2241.9 Ų41.911%0.10824%0.238CC..Hα-helixtrans-65.4-36175-71.8-176.4-106.200112.3Q609 L610 G672 L673 H674 R679 S680Q609-M676 HydrophobicContact CB-SD 4.46Å; Q609-M676 PolarHBondContact OE1-SD 3.1Å; L610-M676 HydrophobicContact CB-CE 4.02Å; L610-M676 HydrophobicContact CB-CG 3.97Å; L610-M676 HydrophobicContact CB-SD 4.5Å; L610-M676 HydrophobicContact CD1-CG 3.92Å; L610-M676 HydrophobicContact CG-CG 3.73Å; L610-M676 PolarHBondContact N-SD 3.43Å; L610-M676 WeakPolarHBondContact O-CE 3.18Å; G672-M676 WeakPolarHBondContact O-CE 3.14Å; G672-M676 WeakPolarHBondContact O-CG 3.34Å; G672-M676 PolarHBondContact O-N 3.4Å; L673-M676 HydrophobicContact CD2-CE 4.32Å; L673-M676 PolarHBondContact O-N 3.46Å; H674-M676 VanDerWaalsContact C-N 3.32Å; H674-M676 PolarHBondContact O-N 3.34Å; M676-R679 PolarHBondContact O-N 3.3Å; M676-S680 WeakPolarHBondContact O-CB 3.21Å; M676-S680 PolarHBondContact O-N 2.94Å; M676-S680 PolarHBondContact O-OG 3.39Å
677K88.5Confident74Confident141 Ų14143.2 Ų43.261%0.61325%0.25SC*.Hα-helixtrans-63.5-47.8171.8-75.3174.5-178.1179.40111.4L673 H674 L675 R679 S680 S681L673-K677 WeakPolarHBondContact O-CG 3.21Å; L673-K677 PolarHBondContact O-N 3.39Å; H674-K677 WeakPolarHBondContact O-CB 3.26Å; H674-K677 PolarHBondContact O-N 3.29Å; H674-K677 VanDerWaalsContact O-N 3.15Å; L675-K677 VanDerWaalsContact C-N 3.33Å; L675-K677 PolarHBondContact O-N 3Å; K677-R679 VanDerWaalsContact C-N 3.33Å; K677-R679 PolarHBondContact O-N 2.78Å; K677-S680 WeakPolarHBondContact CA-OG 3.21Å; K677-S680 PolarHBondContact O-N 3.14Å; K677-S680 PolarHBondContact O-OG 3.06Å; K677-S681 PolarHBondContact O-N 2.76Å; K677-S681 PolarHBondContact O-OG 3.07Å
678L87.8Confident72.8Confident16 Ų1645.9 Ų45.98%0.08426%0.262CS..Hα-helixtrans-58.7-43.5175.1-72.2172.5000111.8T588 T589 F592 L602 H674 L675 S680 S681 E682T588-L678 HydrophobicContact CG2-CD1 4.24Å; T589-L678 HydrophobicContact CG2-CD2 4.02Å; F592-L678 HydrophobicContact CB-CD1 4.47Å; F592-L678 HydrophobicContact CD2-CD1 4.4Å; L602-L678 HydrophobicContact CD2-CB 4Å; H674-L678 PolarHBondContact O-N 3.45Å; L675-L678 PolarHBondContact O-N 3.47Å; L678-S680 PolarHBondContact O-N 3.3Å; L678-S681 WeakPolarHBondContact CA-OG 3.35Å; L678-S681 PolarHBondContact O-N 3.29Å; L678-S681 PolarHBondContact O-OG 3.42Å; L678-E682 VanDerWaalsContact O-CG 3.3Å; L678-E682 WeakPolarHBondContact O-CG 3.26Å; L678-E682 PolarHBondContact O-N 3.41Å
679R87.3Confident71.6Confident19 Ų1948.1 Ų48.17%0.07227%0.274CS..Hα-helixtrans-58.9-47.9174.5-173178.667.4-164.85111L602 L603 T605 G606 S608 L675 M676 K677 S681 E682 C683L602-R679 HydrophobicContact CD1-CB 4.21Å; L602-R679 HydrophobicContact CD2-CB 4.19Å; L602-R679 HydrophobicContact CG-CB 3.93Å; L602-R679 HydrophobicContact CG-CG 4.36Å; L602-R679 WeakPolarHBondContact O-CD 3.46Å; L603-R679 HydrophobicContact CD2-CG 4.5Å; T605-R679 WeakPolarHBondContact OG1-CD 3.19Å; T605-R679 PolarHBondContact OG1-NH1 3.33Å; G606-R679 VanDerWaalsContact O-CD 3.27Å; G606-R679 WeakPolarHBondContact O-CD 3.37Å; G606-R679 PolarHBondContact O-NE 3.05Å; G606-R679 PolarHBondContact O-NH1 2.81Å; G606-R679 VanDerWaalsContact O-NH1 3.12Å; G606-R679 PolarHBondContact O-NH2 2.85Å; S608-R679 VanDerWaalsContact O-CZ 3.26Å; S608-R679 PolarHBondContact O-NH1 2.95Å; S608-R679 PolarHBondContact O-NH2 2.95Å; L675-R679 WeakPolarHBondContact O-CB 3.29Å; L675-R679 PolarHBondContact O-N 3.29Å; M676-R679 PolarHBondContact O-N 3.3Å; K677-R679 VanDerWaalsContact C-N 3.33Å; K677-R679 PolarHBondContact O-N 2.78Å; R679-S681 PolarHBondContact O-N 2.88Å; R679-E682 PolarHBondContact O-N 2.87Å; R679-C683 WeakPolarHBondContact O-CB 3.44Å; R679-C683 PolarHBondContact O-N 2.87Å; R679-C683 PolarHBondContact O-SG 2.84Å
680S80.8Confident69.9Low68 Ų6849.6 Ų49.648%0.47628%0.283SS..Hα-helixtrans-65.3-37.5179.671.80000112.8M676 K677 L678 S684M676-S680 WeakPolarHBondContact O-CB 3.21Å; M676-S680 PolarHBondContact O-N 2.94Å; M676-S680 PolarHBondContact O-OG 3.39Å; K677-S680 WeakPolarHBondContact CA-OG 3.21Å; K677-S680 PolarHBondContact O-N 3.14Å; K677-S680 PolarHBondContact O-OG 3.06Å; L678-S680 PolarHBondContact O-N 3.3Å; S680-S684 VanDerWaalsContact O-CB 3.22Å; S680-S684 WeakPolarHBondContact O-CB 3.41Å; S680-S684 PolarHBondContact O-N 2.95Å; S680-S684 PolarHBondContact O-OG 2.91Å
681S78Confident67.9Low51 Ų5148.4 Ų48.436%0.35729%0.286SS..Hα-helixtrans-65.1-46.9176.554.50000110.5K677 L678 R679 S684 T685K677-S681 PolarHBondContact O-N 2.76Å; K677-S681 PolarHBondContact O-OG 3.07Å; L678-S681 WeakPolarHBondContact CA-OG 3.35Å; L678-S681 PolarHBondContact O-N 3.29Å; L678-S681 PolarHBondContact O-OG 3.42Å; R679-S681 PolarHBondContact O-N 2.88Å; S681-S684 WeakPolarHBondContact CA-OG 3.15Å; S681-S684 PolarHBondContact O-N 3.33Å; S681-S684 VanDerWaalsContact O-N 3.14Å; S681-S684 PolarHBondContact O-OG 3.25Å; S681-T685 PolarHBondContact O-N 2.92Å; S681-T685 PolarHBondContact O-OG1 3.21Å
682E69.8Low66Low31 Ų3155.2 Ų55.215%0.14531%0.31CS..Hα-helixtrans-61.5-44.9177.4-68.9-76.3145.700111.9R599 L603 L678 R679 S684 T685R599-E682 WeakPolarHBondContact CD-OE2 3.41Å; R599-E682 IonicContact CZ-OE1 3.35Å; R599-E682 IonicContact CZ-OE2 2.77Å; R599-E682 IonicContact NE-OE2 3.98Å; R599-E682 IonicContact NH1-OE1 3.29Å; R599-E682 IonicContact NH1-OE2 3.68Å; R599-E682 PolarHBondContact NH1-OE2 2.7Å; L603-E682 HydrophobicContact CD2-CB 4Å; L678-E682 VanDerWaalsContact O-CG 3.3Å; L678-E682 WeakPolarHBondContact O-CG 3.26Å; L678-E682 PolarHBondContact O-N 3.41Å; R679-E682 PolarHBondContact O-N 2.87Å; E682-S684 VanDerWaalsContact C-N 3.27Å; E682-S684 PolarHBondContact O-N 3.47Å; E682-T685 VanDerWaalsContact CA-OG1 3.28Å; E682-T685 WeakPolarHBondContact CA-OG1 3.44Å; E682-T685 PolarHBondContact O-N 2.84Å; E682-T685 PolarHBondContact O-OG1 3.42Å
683C57.9Low64Low81 Ų8157.5 Ų57.555%0.54732%0.321SS..Hα-helixtrans-65.1-29.5175.5-67.80000113.1R679R679-C683 WeakPolarHBondContact O-CB 3.44Å; R679-C683 PolarHBondContact O-N 2.87Å; R679-C683 PolarHBondContact O-SG 2.84Å
684S52.6Low62.1Low77 Ų7756.5 Ų56.554%0.53832%0.315SS..Hα-helixtrans-81.9-25.6179730000113.5S680 S681 E682S680-S684 VanDerWaalsContact O-CB 3.22Å; S680-S684 WeakPolarHBondContact O-CB 3.41Å; S680-S684 PolarHBondContact O-N 2.95Å; S680-S684 PolarHBondContact O-OG 2.91Å; S681-S684 WeakPolarHBondContact CA-OG 3.15Å; S681-S684 PolarHBondContact O-N 3.33Å; S681-S684 VanDerWaalsContact O-N 3.14Å; S681-S684 PolarHBondContact O-OG 3.25Å; E682-S684 VanDerWaalsContact C-N 3.27Å; E682-S684 PolarHBondContact O-N 3.47Å
685T47.1Very low60.1Low65 Ų6563.7 Ų63.740%0.39935%0.345SS..Hα-helixtrans-72.9-35.4178.925.60000113S681 E682 A687 V688 D689S681-T685 PolarHBondContact O-N 2.92Å; S681-T685 PolarHBondContact O-OG1 3.21Å; E682-T685 VanDerWaalsContact CA-OG1 3.28Å; E682-T685 WeakPolarHBondContact CA-OG1 3.44Å; E682-T685 PolarHBondContact O-N 2.84Å; E682-T685 PolarHBondContact O-OG1 3.42Å; T685-A687 PolarHBondContact O-N 3.19Å; T685-V688 PolarHBondContact O-N 3Å; T685-D689 PolarHBondContact O-N 3.05Å
686D46.2Very low57.8Low97 Ų9767.8 Ų67.852%0.51938%0.375SS..Hα-helixtrans-75.8-20.9-169.6-77.4-21.7000115.1V690D686-V690 VanDerWaalsContact O-CG2 3.22Å; D686-V690 WeakPolarHBondContact O-CG2 3.41Å
687A37.4Very low55.3Low34 Ų3468.5 Ų68.528%0.28138%0.382SS..Hα-helixtrans-79.6-23.8179.600000113.7T685T685-A687 PolarHBondContact O-N 3.19Å
688V40.6Very low53Low76 Ų7667.7 Ų67.746%0.46139%0.391SS..Hα-helixtrans-99-27.2-176.7-1760000111.4T685 R692T685-V688 PolarHBondContact O-N 3Å; V688-R692 PolarHBondContact O-N 3.33Å
689D46Very low50.8Low82 Ų8268.1 Ų68.144%0.43939%0.394SS..Hα-helixtrans-84.8-26.9179.2-88.4-12.7000114.7T685 A691 R692 F693T685-D689 PolarHBondContact O-N 3.05Å; D689-A691 PolarHBondContact O-N 3.44Å; D689-R692 PolarHBondContact O-N 3.07Å; D689-R692 IonicContact OD1-NH1 3.52Å; D689-R692 PolarHBondContact OD1-NH1 3.49Å; D689-F693 WeakPolarHBondContact O-CB 3.38Å; D689-F693 PolarHBondContact O-N 3.24Å
690V42.4Very low48.7Very low31 Ų3172.3 Ų72.319%0.18842%0.422CS..Hα-helixtrans-61.5-47.2172.8173.90000110.6D686 R692 F693 F694D686-V690 VanDerWaalsContact O-CG2 3.22Å; D686-V690 WeakPolarHBondContact O-CG2 3.41Å; V690-R692 PolarHBondContact O-N 2.66Å; V690-F693 PolarHBondContact O-N 3.5Å; V690-F694 HydrophobicContact CG1-CD2 3.94Å; V690-F694 HydrophobicContact CG1-CE2 3.91Å; V690-F694 WeakPolarHBondContact O-CD2 3.4Å; V690-F694 PolarHBondContact O-N 3.3Å; V690-F694 VanDerWaalsContact O-N 3.16Å
691A39.6Very low46.7Very low43 Ų4379.7 Ų79.736%0.35544%0.439SS..Hα-helixtrans-69.4-30178.500000113.8D689 K695D689-A691 PolarHBondContact O-N 3.44Å; A691-K695 PolarHBondContact O-N 3.43Å
692R44Very low44.8Very low153 Ų15380.9 Ų80.958%0.57745%0.452SS*.Hα-helixtrans-75.2-44.3174-103.8-174.2-139.6126.32.2112.1V688 D689 V690 F694 K695 S696V688-R692 PolarHBondContact O-N 3.33Å; D689-R692 PolarHBondContact O-N 3.07Å; D689-R692 IonicContact OD1-NH1 3.52Å; D689-R692 PolarHBondContact OD1-NH1 3.49Å; V690-R692 PolarHBondContact O-N 2.66Å; R692-F694 VanDerWaalsContact C-N 3.31Å; R692-F694 PolarHBondContact O-N 2.8Å; R692-K695 PolarHBondContact O-N 2.86Å; R692-K695 VanDerWaalsContact O-N 3.1Å; R692-S696 PolarHBondContact O-N 3.21Å; R692-S696 VanDerWaalsContact O-N 3.08Å; R692-S696 PolarHBondContact O-OG 3.47Å
693F44.3Very low43.1Very low49 Ų4983.2 Ų83.222%0.21547%0.47CS..Hα-helixtrans-58.3-43.4178.9-176.9-100.3000111D689 V690 K695 S696 S697 C748D689-F693 WeakPolarHBondContact O-CB 3.38Å; D689-F693 PolarHBondContact O-N 3.24Å; V690-F693 PolarHBondContact O-N 3.5Å; F693-K695 PolarHBondContact O-N 2.8Å; F693-S696 PolarHBondContact O-N 3.42Å; F693-S696 PolarHBondContact O-OG 3.18Å; F693-S697 WeakPolarHBondContact O-CB 3.34Å; F693-S697 PolarHBondContact O-N 3.22Å; F693-C748 HydrophobicContact CE1-CB 4.06Å; F693-C748 VanDerWaalsContact CE1-O 3.25Å; F693-C748 WeakPolarHBondContact CE1-O 2.8Å; F693-C748 HydrophobicContact CZ-CB 4.07Å; F693-C748 WeakPolarHBondContact CZ-O 3.22Å
694F46.8Very low42.1Very low19 Ų1982.9 Ų82.98%0.08347%0.468CS..Hα-helixtrans-74.4-19.8176.7-77-65.1000115.1V690 R692 L750 F761 L765 V770V690-F694 HydrophobicContact CG1-CD2 3.94Å; V690-F694 HydrophobicContact CG1-CE2 3.91Å; V690-F694 WeakPolarHBondContact O-CD2 3.4Å; V690-F694 PolarHBondContact O-N 3.3Å; V690-F694 VanDerWaalsContact O-N 3.16Å; R692-F694 VanDerWaalsContact C-N 3.31Å; R692-F694 PolarHBondContact O-N 2.8Å; F694-L750 HydrophobicContact CE2-CD1 3.7Å; F694-L750 HydrophobicContact CZ-CD1 3.42Å; F694-L750 VanDerWaalsContact CZ-CD1 3.42Å; F694-F761 HydrophobicContact CE1-CE1 4.02Å; F694-F761 HydrophobicContact CE1-CZ 4.01Å; F694-F761 HydrophobicContact CE2-CE1 4.38Å; F694-F761 HydrophobicContact CE2-CE2 4.47Å; F694-F761 AromaticContact CE2-CZ 3.59Å; F694-F761 HydrophobicContact CE2-CZ 3.59Å; F694-F761 AromaticContact CZ-CE1 3.62Å; F694-F761 HydrophobicContact CZ-CE1 3.62Å; F694-F761 HydrophobicContact CZ-CE2 4.44Å; F694-F761 AromaticContact CZ-CZ 3.27Å; F694-F761 HydrophobicContact CZ-CZ 3.27Å; F694-L765 HydrophobicContact CD1-CD1 4.15Å; F694-L765 HydrophobicContact CE1-CD1 4.47Å; F694-L765 HydrophobicContact CE1-CD2 4.5Å; F694-V770 HydrophobicContact CD2-CG1 3.78Å; F694-V770 HydrophobicContact CE2-CG1 4.13Å; F694-V770 HydrophobicContact CG-CG1 4.11Å
695K46.9Very low41.1Very low177 Ų17785.4 Ų85.477%0.7748%0.475SS*.Hα-helixtrans-78-23.7168.8-84.2-178.8176.3177.80112.8A691 R692 F693A691-K695 PolarHBondContact O-N 3.43Å; R692-K695 PolarHBondContact O-N 2.86Å; R692-K695 VanDerWaalsContact O-N 3.1Å; F693-K695 PolarHBondContact O-N 2.8Å
696S40.1Very low40.5Very low92 Ų9286.5 Ų86.564%0.64350%0.499SS*.Hα-helixtrans-109.2-16.1-174.158.30000115.2R692 F693R692-S696 PolarHBondContact O-N 3.21Å; R692-S696 VanDerWaalsContact O-N 3.08Å; R692-S696 PolarHBondContact O-OG 3.47Å; F693-S696 PolarHBondContact O-N 3.42Å; F693-S696 PolarHBondContact O-OG 3.18Å
697S37.6Very low39.6Very low36 Ų3689.7 Ų89.725%0.25251%0.511SS..  trans-98.5124.3-171.9-163.50000110.9F693 V699F693-S697 WeakPolarHBondContact O-CB 3.34Å; F693-S697 PolarHBondContact O-N 3.22Å; S697-V699 PolarHBondContact O-N 3.24Å; S697-V699 WeakPolarHBondContact OG-CG2 3.5Å
698P40.5Very low39.1Very low124 Ų12492.9 Ų92.981%0.80554%0.538SS*.  trans-77.946.8177.934.8-34.8000110.8V700P698-V700 PolarHBondContact O-N 3.36Å
699V41.3Very low38.5Very low25 Ų2595.9 Ų95.915%0.15255%0.549CS..  trans-66.1101.1-176.8-174.70000108.5S697 W701 C748S697-V699 PolarHBondContact O-N 3.24Å; S697-V699 WeakPolarHBondContact OG-CG2 3.5Å; V699-W701 PolarHBondContact O-N 3.06Å; V699-W701 VanDerWaalsContact O-N 3.12Å; V699-C748 HydrophobicContact CG2-CB 4.42Å
700V42.4Very low37.7Very low108 Ų10896.4 Ų96.466%0.65556%0.556SS**  trans15.378.2168.8-165.90000114.6P698 A702P698-V700 PolarHBondContact O-N 3.36Å; V700-A702 HydrophobicContact CG1-CB 4.44Å; V700-A702 PolarHBondContact O-N 2.78Å; V700-A702 VanDerWaalsContact O-N 3.16Å
701W39.2Very low37.3Very low223 Ų223100 Ų10085%0.84558%0.58SS**  trans-68.5101.2150.7-79.861.3000107.1V699 P703V699-W701 PolarHBondContact O-N 3.06Å; V699-W701 VanDerWaalsContact O-N 3.12Å; W701-P703 VanDerWaalsContact C-CD 3.46Å; W701-P703 VanDerWaalsContact O-CD 3.27Å; W701-P703 WeakPolarHBondContact O-CD 3.22Å
702A37.3Very low37.3Very low75 Ų75101 Ų10162%0.6258%0.579SS**  trans-101.987.4154.600000106.9V700 C704V700-A702 HydrophobicContact CG1-CB 4.44Å; V700-A702 PolarHBondContact O-N 2.78Å; V700-A702 VanDerWaalsContact O-N 3.16Å; A702-C704 PolarHBondContact O-N 2.8Å
703P35.4Very low37.2Very low81 Ų81100.9 Ų100.953%0.52659%0.585SS.*  trans-60.3134.9171.410.9-4.3000108.1W701 N705W701-P703 VanDerWaalsContact C-CD 3.46Å; W701-P703 VanDerWaalsContact O-CD 3.27Å; W701-P703 WeakPolarHBondContact O-CD 3.22Å; P703-N705 PolarHBondContact O-N 2.77Å
704C35.7Very low37.4Very low74 Ų74107.5 Ų107.550%0.561%0.608SS.*  trans-58.988.3164.4-65.20000108.2A702 G706A702-C704 PolarHBondContact O-N 2.8Å; C704-G706 PolarHBondContact O-N 3.25Å; C704-G706 VanDerWaalsContact O-N 3.17Å
705N33.2Very low37.7Very low130 Ų130107.9 Ų107.970%0.69561%0.61SS**  trans-59.9120.2166.8-79.5-20.2000106.7P703 Q707P703-N705 PolarHBondContact O-N 2.77Å; N705-Q707 PolarHBondContact O-N 3.4Å
706G32.8Very low37.5Very low88 Ų88106.1 Ų106.191%0.90760%0.603SS**SBendtrans-6644-170.800000116.4C704C704-G706 PolarHBondContact O-N 3.25Å; C704-G706 VanDerWaalsContact O-N 3.17Å
707Q29Very low38.1Very low164 Ų164108.6 Ų108.677%0.76660%0.604SS**SBendtrans-90129.4162.3-78179.8-32.400108.5N705 I709N705-Q707 PolarHBondContact O-N 3.4Å; Q707-I709 WeakPolarHBondContact O-CG1 3.05Å; Q707-I709 PolarHBondContact O-N 2.89Å
708A26.6Very low38.8Very low101 Ų101107.1 Ų107.184%0.83559%0.593SS**  trans-52.7105.1170.900000108.5V710A708-V710 PolarHBondContact O-N 3.43Å; A708-V710 VanDerWaalsContact O-N 3.08Å
709I28Very low39.3Very low138 Ų138106.9 Ų106.971%0.70858%0.582SS**  trans-72.4110-179.5-57.7179.9000106.2Q707Q707-I709 WeakPolarHBondContact O-CG1 3.05Å; Q707-I709 PolarHBondContact O-N 2.89Å
710V29.7Very low39.9Very low94 Ų94113.8 Ų113.857%0.5761%0.612SS**  trans-41.7139.5166.5-179.80000108.8A708 D712A708-V710 PolarHBondContact O-N 3.43Å; A708-V710 VanDerWaalsContact O-N 3.08Å; V710-D712 PolarHBondContact O-N 3.42Å; V710-D712 VanDerWaalsContact O-N 3.09Å
711P32.1Very low40.7Very low107 Ų107110 Ų11070%0.69559%0.588SS**SBendtrans-49.6123.7179.6-21.130.5000109.7E713P711-E713 PolarHBondContact O-N 2.79Å
712D41.5Very low41.7Very low64 Ų64103.7 Ų103.734%0.34257%0.574SS.*  trans-33.198.6-170.5-136.7-20000113.3V710 R714 F715V710-D712 PolarHBondContact O-N 3.42Å; V710-D712 VanDerWaalsContact O-N 3.09Å; D712-R714 PolarHBondContact O-N 2.76Å; D712-R714 WeakPolarHBondContact OD1-CG 3.47Å; D712-R714 IonicContact OD1-NE 3.77Å; D712-F715 HydrophobicContact CB-CD2 3.99Å; D712-F715 HydrophobicContact CB-CE2 3.87Å
713E40.7Very low43.2Very low150 Ų150102.4 Ų102.470%0.70155%0.554SS**G310 helixtrans-61.3-5.5176.9-75-177158.400112.9P711 F715P711-E713 PolarHBondContact O-N 2.79Å; E713-F715 PolarHBondContact O-N 3.44Å
714R49.1Very low45Very low188 Ų188100.2 Ų100.271%0.70954%0.541SS*.G310 helixtrans-80.6-10.4-169-61.9-176.7-165.7-1786115.2D712 Q895D712-R714 PolarHBondContact O-N 2.76Å; D712-R714 WeakPolarHBondContact OD1-CG 3.47Å; D712-R714 IonicContact OD1-NE 3.77Å; R714-Q895 PolarHBondContact O-NE2 3.22Å
715F51.9Low46.8Very low27 Ų27103.7 Ų103.712%0.11855%0.554CS.*G310 helixtrans-99.4-2.4-176.3-61.8-69.3000114.3D712 E713 E717 L718 L891 M892 Q895D712-F715 HydrophobicContact CB-CD2 3.99Å; D712-F715 HydrophobicContact CB-CE2 3.87Å; E713-F715 PolarHBondContact O-N 3.44Å; F715-E717 PolarHBondContact O-N 2.87Å; F715-E717 VanDerWaalsContact O-N 3.15Å; F715-L718 HydrophobicContact CB-CD1 3.91Å; F715-L718 HydrophobicContact CB-CG 4.42Å; F715-L718 HydrophobicContact CD1-CD1 3.81Å; F715-L718 HydrophobicContact CG-CD1 4.29Å; F715-L718 WeakPolarHBondContact O-CB 3.36Å; F715-L718 VanDerWaalsContact O-CG 3.3Å; F715-L718 WeakPolarHBondContact O-CG 3.34Å; F715-L718 PolarHBondContact O-N 3.44Å; F715-L891 HydrophobicContact CD1-CB 3.79Å; F715-L891 HydrophobicContact CD1-CD1 4.23Å; F715-L891 HydrophobicContact CE1-CB 3.59Å; F715-L891 HydrophobicContact CE1-CD1 4.42Å; F715-L891 HydrophobicContact CG-CD1 4.28Å; F715-L891 HydrophobicContact CZ-CB 4.3Å; F715-M892 HydrophobicContact CZ-CG 4.41Å; F715-Q895 HydrophobicContact CD1-CG 4.43Å; F715-Q895 HydrophobicContact CE1-CG 4.49Å
716F43.6Very low48.9Very low139 Ų139102.8 Ų102.861%0.6154%0.544SS*.G310 helixtrans-64-17.5-178.4-87.8-82.5000114.5L718F716-L718 VanDerWaalsContact C-N 3.33Å
717E52Low51.2Low145 Ų14599.7 Ų99.768%0.67851%0.508SS*.G310 helixtrans-83-6.9175.5-65.4-173.3174.800113.6F715 E719 Q720F715-E717 PolarHBondContact O-N 2.87Å; F715-E717 VanDerWaalsContact O-N 3.15Å; E717-E719 VanDerWaalsContact C-N 3.3Å; E717-E719 PolarHBondContact O-N 3.34Å; E717-Q720 PolarHBondContact O-N 2.81Å
718L53.8Low53.9Low5 Ų595.1 Ų95.13%0.02649%0.487CS..G310 helixtrans-69.8-24.4-178.7-66.1178.3000113.2F715 F716 Q720 L721 T875 L891 Q895F715-L718 HydrophobicContact CB-CD1 3.91Å; F715-L718 HydrophobicContact CB-CG 4.42Å; F715-L718 HydrophobicContact CD1-CD1 3.81Å; F715-L718 HydrophobicContact CG-CD1 4.29Å; F715-L718 WeakPolarHBondContact O-CB 3.36Å; F715-L718 VanDerWaalsContact O-CG 3.3Å; F715-L718 WeakPolarHBondContact O-CG 3.34Å; F715-L718 PolarHBondContact O-N 3.44Å; F716-L718 VanDerWaalsContact C-N 3.33Å; L718-Q720 PolarHBondContact O-N 3.15Å; L718-Q720 VanDerWaalsContact O-N 3.14Å; L718-L721 HydrophobicContact CB-CD1 4.28Å; L718-L721 HydrophobicContact CD2-CD1 3.2Å; L718-L721 HydrophobicContact CD2-CG 4.36Å; L718-L721 HydrophobicContact CG-CD1 4.29Å; L718-L721 WeakPolarHBondContact O-CB 3.5Å; L718-L721 PolarHBondContact O-N 3.31Å; L718-T875 HydrophobicContact CB-CG2 4.17Å; L718-T875 HydrophobicContact CD1-CG2 3.94Å; L718-L891 HydrophobicContact CD1-CB 4.17Å; L718-L891 HydrophobicContact CD1-CD2 3.35Å; L718-L891 HydrophobicContact CD1-CG 4.24Å; L718-Q895 HydrophobicContact CD2-CG 3.66Å
719E49.7Very low56.5Low119 Ų11991.2 Ų91.256%0.55645%0.451SS*.G310 helixtrans-64.1-15.5176.6-67-171.1159.400113E717E717-E719 VanDerWaalsContact C-N 3.3Å; E717-E719 PolarHBondContact O-N 3.34Å
720Q54.8Low59.1Low170 Ų17084.9 Ų84.979%0.79442%0.419SS*.G310 helixtrans-95.4-3.3176.9-59.7-178.94.300113.1E717 L718E717-Q720 PolarHBondContact O-N 2.81Å; L718-Q720 PolarHBondContact O-N 3.15Å; L718-Q720 VanDerWaalsContact O-N 3.14Å
721L58.7Low61Low27 Ų2783.7 Ų83.714%0.14141%0.407CS..SBendtrans-81.4142.4-179.2-67.1177.1000111.8L718 F723 E898L718-L721 HydrophobicContact CB-CD1 4.28Å; L718-L721 HydrophobicContact CD2-CD1 3.2Å; L718-L721 HydrophobicContact CD2-CG 4.36Å; L718-L721 HydrophobicContact CG-CD1 4.29Å; L718-L721 WeakPolarHBondContact O-CB 3.5Å; L718-L721 PolarHBondContact O-N 3.31Å; L721-F723 HydrophobicContact CB-CD1 3.98Å; L721-F723 HydrophobicContact CB-CE1 3.9Å; L721-F723 WeakPolarHBondContact O-CD1 3.47Å; L721-F723 WeakPolarHBondContact O-CE1 3.46Å; L721-E898 HydrophobicContact CD2-CB 3.62Å; L721-E898 HydrophobicContact CD2-CG 3.35Å; L721-E898 WeakPolarHBondContact CD2-OE2 3.43Å
722V59Low62.7Low91 Ų9180.4 Ų80.455%0.55239%0.393SS*.  trans-85.2115.1173.6-176.60000108.8
723F70.6Confident64Low49 Ų4979.5 Ų79.522%0.21540%0.395CS..  trans-127.5152.617029.1-97.1000109.6L721 C840 V842 V871L721-F723 HydrophobicContact CB-CD1 3.98Å; L721-F723 HydrophobicContact CB-CE1 3.9Å; L721-F723 WeakPolarHBondContact O-CD1 3.47Å; L721-F723 WeakPolarHBondContact O-CE1 3.46Å; F723-C840 CarbonylContact C-O 3.55Å; F723-C840 VanDerWaalsContact CA-O 3.25Å; F723-C840 WeakPolarHBondContact CA-O 3.26Å; F723-C840 WeakPolarHBondContact CB-O 3.2Å; F723-V842 HydrophobicContact CB-CG2 3.97Å; F723-V842 HydrophobicContact CD2-CG2 4.01Å; F723-V842 HydrophobicContact CG-CG2 4.03Å; F723-V871 HydrophobicContact CD2-CG2 4.36Å; F723-V871 HydrophobicContact CE1-CG1 4.17Å; F723-V871 HydrophobicContact CE1-CG2 4.25Å; F723-V871 HydrophobicContact CE2-CB 4.42Å; F723-V871 HydrophobicContact CE2-CG2 3.99Å; F723-V871 HydrophobicContact CZ-CB 4.15Å; F723-V871 HydrophobicContact CZ-CG1 3.87Å; F723-V871 HydrophobicContact CZ-CG2 3.95Å
724S72.1Confident65.2Low34 Ų3481 Ų8124%0.23840%0.402CS..  trans-77.7169.6173.263.80000111.5K726 R839 C840S724-K726 PolarHBondContact O-N 3.07Å; S724-K726 VanDerWaalsContact O-N 3.14Å; S724-K726 PolarHBondContact OG-N 3.33Å; S724-R839 WeakPolarHBondContact CB-O 3.23Å; S724-R839 PolarHBondContact OG-O 2.74Å; S724-C840 PolarHBondContact N-O 3.4Å
725D74Confident66.8Low147 Ų14773 Ų7379%0.78638%0.375SS*.SBendtrans-69.1-0.9171.2-71-33.1000113.3
726K77.6Confident68.2Low112 Ų11273.6 Ų73.649%0.48738%0.381SS..  trans-85.3143.7177.9-66-173.9175.6177.30111.3S724 P841 V842S724-K726 PolarHBondContact O-N 3.07Å; S724-K726 VanDerWaalsContact O-N 3.14Å; S724-K726 PolarHBondContact OG-N 3.33Å; K726-P841 HydrophobicContact CB-CB 4.24Å; K726-P841 WeakPolarHBondContact O-CA 3.39Å; K726-V842 PolarHBondContact O-N 3.09Å
727V80.9Confident70.3Confident23 Ų2367 Ų6714%0.13935%0.352CS..EExtended strand (participates in β ladder)trans-112.7135.7172179.70000108.1L729 V842 V844 F856 M860 A867 L870V727-L729 HydrophobicContact CG1-CD2 4.38Å; V727-V842 WeakPolarHBondContact CA-O 3.41Å; V727-V842 HydrophobicContact CG2-CB 4.42Å; V727-V844 HydrophobicContact CG1-CB 4.14Å; V727-V844 HydrophobicContact CG1-CG2 3.54Å; V727-F856 HydrophobicContact CG1-CE1 4.07Å; V727-M860 HydrophobicContact CB-SD 4.42Å; V727-M860 HydrophobicContact CG2-CE 3.71Å; V727-M860 HydrophobicContact CG2-SD 3.92Å; V727-A867 HydrophobicContact CG2-CB 4.27Å; V727-L870 HydrophobicContact CG1-CD1 4.37Å; V727-L870 HydrophobicContact CG2-CD1 3.68Å
728E84.5Confident72Confident68 Ų6860.4 Ų60.432%0.31832%0.321SS..EExtended strand (participates in β ladder)trans-119.6126.9176.2-173.7179176.600109.5P841 V842 L843 V844E728-P841 HydrophobicContact CB-CB 3.87Å; E728-P841 HydrophobicContact CB-CG 3.89Å; E728-P841 WeakPolarHBondContact OE2-CG 3.2Å; E728-V842 PolarHBondContact N-O 3.3Å; E728-L843 HydrophobicContact CB-CD2 4.21Å; E728-V844 PolarHBondContact O-N 3.46Å
729L82.6Confident73.6Confident18 Ų1861 Ų619%0.09432%0.324CS..EExtended strand (participates in β ladder)trans-89.7126.8179.5-60.7-173.7000110.9V727 Q731 V844 I846 N853 F856V727-L729 HydrophobicContact CG1-CD2 4.38Å; L729-Q731 HydrophobicContact CB-CG 4.05Å; L729-Q731 PolarHBondContact O-N 3.42Å; L729-V844 CarbonylContact C-O 3.56Å; L729-V844 WeakPolarHBondContact CA-O 3.16Å; L729-V844 HydrophobicContact CD2-CB 3.84Å; L729-V844 HydrophobicContact CD2-CG1 3.98Å; L729-I846 HydrophobicContact CD1-CD1 3.88Å; L729-I846 HydrophobicContact CD2-CD1 3.58Å; L729-I846 HydrophobicContact CD2-CG1 4.04Å; L729-I846 HydrophobicContact CG-CD1 4.33Å; L729-N853 HydrophobicContact CD1-CB 3.87Å; L729-N853 VanDerWaalsContact CD1-OD1 3.24Å; L729-N853 WeakPolarHBondContact CD1-OD1 3.19Å; L729-N853 WeakPolarHBondContact CG-OD1 3.24Å; L729-F856 HydrophobicContact CD1-CB 4.1Å; L729-F856 HydrophobicContact CD1-CG 4.47Å; L729-F856 HydrophobicContact CD2-CD1 3.95Å; L729-F856 HydrophobicContact CD2-CE1 4.24Å; L729-F856 HydrophobicContact CD2-CG 4.32Å
730I82.3Confident75.5Confident5 Ų559.1 Ų59.13%0.02631%0.313CS..EExtended strand (participates in β ladder)trans-90.1100.8173.4-54.6173.5000107.7L737 L843 V844 Y889 L893I730-L737 HydrophobicContact CD1-CB 4.13Å; I730-L737 HydrophobicContact CG1-CB 4.27Å; I730-L737 HydrophobicContact CG2-CB 4.33Å; I730-L843 HydrophobicContact CD1-CB 4.12Å; I730-V844 PolarHBondContact N-O 3.36Å; I730-Y889 HydrophobicContact CD1-CD1 4.21Å; I730-Y889 HydrophobicContact CD1-CE1 3.97Å; I730-Y889 HydrophobicContact CG2-CE1 4.28Å; I730-L893 HydrophobicContact CD1-CD1 3.31Å
731Q70.3Confident77.1Confident69 Ų6954.6 Ų54.632%0.32229%0.289SS..  trans-118.5138.5-176.9-63-170.6-25.700112.2L729 S735 I851L729-Q731 HydrophobicContact CB-CG 4.05Å; L729-Q731 PolarHBondContact O-N 3.42Å; Q731-S735 WeakPolarHBondContact O-CB 3.36Å; Q731-I851 PolarHBondContact NE2-O 3.09Å
732G66.8Low78.4Confident39 Ų3957.5 Ų57.540%0.40230%0.304SS..THydrogen-bonded Turntrans65.4-172.3166.900000116.3E734 S738G732-E734 VanDerWaalsContact C-N 3.31Å; G732-S738 WeakPolarHBondContact O-CB 3.42Å; G732-S738 PolarHBondContact O-OG 3.24Å
733A68.3Low79.7Confident45 Ų4553.3 Ų53.337%0.37228%0.279SS..THydrogen-bonded Turntrans-80.4-11174.900000113.3Y741A733-Y741 WeakPolarHBondContact O-CD2 3.49Å
734E67.6Low80.6Confident182 Ų18253.7 Ų53.785%0.8529%0.286SS*.THydrogen-bonded Turntrans-83.7-25.1-176.7-59.4-163.6168.400113.6G732 P736G732-E734 VanDerWaalsContact C-N 3.31Å; E734-P736 WeakPolarHBondContact O-CD 3.4Å
735S80.9Confident81.3Confident20 Ų2052 Ų5214%0.1428%0.275CS..SBendtrans-74123.6177.2176.60000110.9Q731 L737 S738 Y741Q731-S735 WeakPolarHBondContact O-CB 3.36Å; S735-L737 PolarHBondContact O-N 3.36Å; S735-L737 VanDerWaalsContact O-N 3.1Å; S735-S738 WeakPolarHBondContact O-CB 3.29Å; S735-S738 PolarHBondContact O-N 2.89Å; S735-Y741 WeakPolarHBondContact O-CB 3.22Å
736P83Confident81.7Confident38 Ų3847.6 Ų47.625%0.24725%0.253CS..THydrogen-bonded Turntrans-57.8-28178.2-23.532.8000114E734 S738 Y741 K824 L831 V834E734-P736 WeakPolarHBondContact O-CD 3.4Å; P736-S738 VanDerWaalsContact C-N 3.28Å; P736-S738 PolarHBondContact O-N 3.05Å; P736-Y741 HydrophobicContact CB-CD2 4.49Å; P736-Y741 HydrophobicContact CB-CE1 4.32Å; P736-Y741 HydrophobicContact CB-CE2 4.26Å; P736-Y741 HydrophobicContact CG-CE2 4.24Å; P736-K824 PolarHBondContact O-NZ 2.9Å; P736-L831 HydrophobicContact CB-CD2 3.81Å; P736-V834 HydrophobicContact CB-CG1 4.31Å
737L87.4Confident81.6Confident2 Ų243.3 Ų43.31%0.0124%0.235CC..THydrogen-bonded Turntrans-80.7-2.5177-59.2-177.3000113.2I730 S735 F825 V834 L835 L843 Y889 L893I730-L737 HydrophobicContact CD1-CB 4.13Å; I730-L737 HydrophobicContact CG1-CB 4.27Å; I730-L737 HydrophobicContact CG2-CB 4.33Å; S735-L737 PolarHBondContact O-N 3.36Å; S735-L737 VanDerWaalsContact O-N 3.1Å; L737-F825 HydrophobicContact CD2-CE1 4.35Å; L737-F825 HydrophobicContact CD2-CZ 3.92Å; L737-V834 HydrophobicContact CD2-CG1 4.09Å; L737-V834 HydrophobicContact CG-CG1 4.11Å; L737-L835 HydrophobicContact CD2-CB 4.11Å; L737-L835 HydrophobicContact CD2-CD1 4.11Å; L737-L843 HydrophobicContact CD1-CD1 4.34Å; L737-L843 HydrophobicContact CD1-CD2 3.91Å; L737-Y889 VanDerWaalsContact O-CE1 3.23Å; L737-Y889 WeakPolarHBondContact O-CE1 3.35Å; L737-Y889 VanDerWaalsContact O-CZ 3.29Å; L737-Y889 PolarHBondContact O-OH 3.08Å; L737-L893 HydrophobicContact CB-CD1 4.19Å
738S87.4Confident81Confident5 Ų545 Ų454%0.03525%0.248CC..SBendtrans-77.7151.8179.7-1770000113.3G732 S735 P736 Y740 Y741 K824G732-S738 WeakPolarHBondContact O-CB 3.42Å; G732-S738 PolarHBondContact O-OG 3.24Å; S735-S738 WeakPolarHBondContact O-CB 3.29Å; S735-S738 PolarHBondContact O-N 2.89Å; P736-S738 VanDerWaalsContact C-N 3.28Å; P736-S738 PolarHBondContact O-N 3.05Å; S738-Y740 PolarHBondContact O-N 2.89Å; S738-Y740 PolarHBondContact OG-N 3.44Å; S738-Y740 VanDerWaalsContact OG-N 3.16Å; S738-Y741 WeakPolarHBondContact O-CB 3.44Å; S738-Y741 PolarHBondContact O-N 3.29Å; S738-K824 PolarHBondContact O-NZ 3.34Å
739I88.2Confident80.1Confident17 Ų1752.1 Ų52.19%0.08727%0.272CS..THydrogen-bonded Turntrans-67.8-21.6168.955.9-179.1000112.9S754 V755 E756 Y817 Y889I739-S754 WeakPolarHBondContact O-CB 3.42Å; I739-V755 HydrophobicContact CB-CB 4.03Å; I739-V755 HydrophobicContact CB-CG1 4.26Å; I739-V755 HydrophobicContact CG2-CB 4.13Å; I739-V755 HydrophobicContact CG2-CG1 3.95Å; I739-V755 PolarHBondContact O-N 3.23Å; I739-E756 HydrophobicContact CB-CG 4.42Å; I739-E756 HydrophobicContact CD1-CG 4.23Å; I739-E756 HydrophobicContact CG1-CG 4.23Å; I739-E756 PolarHBondContact O-N 3.42Å; I739-Y817 HydrophobicContact CD1-CE2 4.1Å; I739-Y817 WeakPolarHBondContact CD1-OH 3.42Å; I739-Y817 HydrophobicContact CG2-CD2 4.45Å; I739-Y817 HydrophobicContact CG2-CE2 4.21Å; I739-Y889 HydrophobicContact CB-CE2 4.44Å; I739-Y889 HydrophobicContact CG2-CD2 3.61Å; I739-Y889 HydrophobicContact CG2-CE1 4.17Å; I739-Y889 HydrophobicContact CG2-CE2 3.02Å; I739-Y889 HydrophobicContact CG2-CG 4.37Å; I739-Y889 PolarHBondContact N-OH 2.97Å
740Y87.8Confident79.6Confident81 Ų8152.7 Ų52.732%0.31828%0.275SS..THydrogen-bonded Turntrans-89.1-13.6179.7-59.2-76.5000112.9S738 L742 E756 A788S738-Y740 PolarHBondContact O-N 2.89Å; S738-Y740 PolarHBondContact OG-N 3.44Å; S738-Y740 VanDerWaalsContact OG-N 3.16Å; Y740-L742 PolarHBondContact O-N 2.92Å; Y740-E756 HydrophobicContact CD1-CG 3.78Å; Y740-E756 HydrophobicContact CE1-CG 3.63Å; Y740-A788 HydrophobicContact CD1-CB 3.93Å
741Y88.4Confident79.6Confident74 Ų7455.7 Ų55.729%0.2929%0.293SS..SBendtrans-64.3134-179.2-175.3-100.5000111.8A733 S735 P736 S738 A743 S754 L831A733-Y741 WeakPolarHBondContact O-CD2 3.49Å; S735-Y741 WeakPolarHBondContact O-CB 3.22Å; P736-Y741 HydrophobicContact CB-CD2 4.49Å; P736-Y741 HydrophobicContact CB-CE1 4.32Å; P736-Y741 HydrophobicContact CB-CE2 4.26Å; P736-Y741 HydrophobicContact CG-CE2 4.24Å; S738-Y741 WeakPolarHBondContact O-CB 3.44Å; S738-Y741 PolarHBondContact O-N 3.29Å; Y741-A743 HydrophobicContact CD1-CB 3.79Å; Y741-A743 HydrophobicContact CE1-CB 3.99Å; Y741-A743 PolarHBondContact O-N 3.45Å; Y741-S754 WeakPolarHBondContact O-CB 3.32Å; Y741-L831 HydrophobicContact CE1-CD2 4.06Å
742L87.6Confident80.3Confident89 Ų8952.6 Ų52.647%0.46628%0.279SS..  trans-80.682.2-176.4-63.3175.1000111.3Y740 Y753 T786Y740-L742 PolarHBondContact O-N 2.92Å; L742-Y753 CarbonylContact C-O 3.44Å; L742-Y753 WeakPolarHBondContact CA-O 3.3Å; L742-T786 WeakPolarHBondContact CD1-O 3.25Å; L742-T786 VanDerWaalsContact CD2-O 3.32Å; L742-T786 WeakPolarHBondContact CD2-O 3.13Å
743A85.7Confident81.3Confident2 Ų254.8 Ų54.82%0.01728%0.275CS..  trans-120.199.5172.100000108.7Y741 F745 Y753 K824 L831Y741-A743 HydrophobicContact CD1-CB 3.79Å; Y741-A743 HydrophobicContact CE1-CB 3.99Å; Y741-A743 PolarHBondContact O-N 3.45Å; A743-F745 WeakPolarHBondContact O-CD1 3.37Å; A743-F745 PolarHBondContact O-N 3Å; A743-Y753 CarbonylContact C-O 3.51Å; A743-Y753 PolarHBondContact N-O 2.96Å; A743-Y753 VanDerWaalsContact N-O 3.11Å; A743-K824 HydrophobicContact CB-CD 4.19Å; A743-K824 HydrophobicContact CB-CG 4.05Å; A743-L831 HydrophobicContact CB-CD1 3.81Å
744P89.1Confident82.4Confident57 Ų5752.6 Ų52.637%0.3726%0.258SS..  trans-60.5133.7-176.9-23.133.2000112.3T751 F752 Y753 N828P744-T751 HydrophobicContact CB-CG2 3.97Å; P744-F752 VanDerWaalsContact CA-O 3.31Å; P744-F752 WeakPolarHBondContact CA-O 3.46Å; P744-Y753 HydrophobicContact CG-CD1 4.17Å; P744-N828 PolarHBondContact O-ND2 2.81Å; P744-N828 PolarHBondContact O-OD1 3.16Å
745F86.6Confident83.5Confident0 Ų044 Ų440%022%0.218CC..EExtended strand (participates in β ladder)trans-139.4150.9171.361.1-86.6000110.4A743 I747 T751 F752 V755 F758 A820 E823 K824 Q827A743-F745 WeakPolarHBondContact O-CD1 3.37Å; A743-F745 PolarHBondContact O-N 3Å; F745-I747 HydrophobicContact CD2-CD1 3.95Å; F745-I747 HydrophobicContact CD2-CG1 3.92Å; F745-I747 HydrophobicContact CE2-CD1 3.68Å; F745-I747 HydrophobicContact CE2-CG1 4.09Å; F745-T751 WeakPolarHBondContact O-CA 3.3Å; F745-F752 HydrophobicContact CE1-CB 4.31Å; F745-F752 HydrophobicContact CE2-CB 4.08Å; F745-F752 HydrophobicContact CE2-CD2 4.27Å; F745-F752 HydrophobicContact CZ-CB 3.89Å; F745-F752 PolarHBondContact N-O 3.01Å; F745-F752 PolarHBondContact O-N 3.42Å; F745-V755 HydrophobicContact CE1-CG2 4.43Å; F745-F758 HydrophobicContact CE2-CB 4.12Å; F745-F758 HydrophobicContact CE2-CG 4.41Å; F745-F758 HydrophobicContact CZ-CB 3.87Å; F745-A820 HydrophobicContact CE2-CB 4.03Å; F745-A820 HydrophobicContact CZ-CB 3.84Å; F745-E823 HydrophobicContact CD2-CB 3.94Å; F745-K824 HydrophobicContact CD1-CB 3.82Å; F745-K824 HydrophobicContact CD1-CG 4.38Å; F745-K824 HydrophobicContact CE1-CB 4.3Å; F745-K824 HydrophobicContact CG-CB 4.26Å; F745-Q827 HydrophobicContact CB-CB 4.49Å
746T82.8Confident84Confident54 Ų5443.5 Ų43.533%0.33121%0.213SC..EExtended strand (participates in β ladder)trans-110.4123.6-173.9-57.90000110.7L750 T751 Q827T746-L750 CarbonylContact C-O 3.51Å; T746-L750 VanDerWaalsContact CA-O 3.28Å; T746-L750 WeakPolarHBondContact CA-O 3.45Å; T746-T751 PolarHBondContact OG1-OG1 3.26Å; T746-Q827 PolarHBondContact O-NE2 2.94Å
747I75.9Confident84.4Confident21 Ų2141.8 Ų41.811%0.10820%0.202CC..EExtended strand (participates in β ladder)trans-122.4126172.1-59.6-177.3000107.8F745 R749 L750 F752 F758 L819 E823F745-I747 HydrophobicContact CD2-CD1 3.95Å; F745-I747 HydrophobicContact CD2-CG1 3.92Å; F745-I747 HydrophobicContact CE2-CD1 3.68Å; F745-I747 HydrophobicContact CE2-CG1 4.09Å; I747-R749 VanDerWaalsContact C-N 3.25Å; I747-R749 PolarHBondContact O-N 3.34Å; I747-L750 PolarHBondContact N-O 2.91Å; I747-L750 PolarHBondContact O-N 3.31Å; I747-F752 HydrophobicContact CB-CE2 4.17Å; I747-F758 HydrophobicContact CB-CE2 4.26Å; I747-F758 HydrophobicContact CD1-CD2 3.84Å; I747-F758 HydrophobicContact CD1-CE1 4.44Å; I747-F758 HydrophobicContact CD1-CE2 3.6Å; I747-F758 HydrophobicContact CD1-CG 4.35Å; I747-F758 HydrophobicContact CD1-CZ 3.92Å; I747-F758 HydrophobicContact CG1-CE2 4.48Å; I747-F758 HydrophobicContact CG2-CE2 4.12Å; I747-L819 HydrophobicContact CD1-CG 4.38Å; I747-E823 HydrophobicContact CD1-CB 4.06Å; I747-E823 HydrophobicContact CD1-CG 3.87Å; I747-E823 HydrophobicContact CG1-CB 4.09Å; I747-E823 HydrophobicContact CG1-CG 3.9Å
748C67.3Low84.6Confident60 Ų6041.8 Ų41.841%0.40520%0.202SC..THydrogen-bonded Turntrans51.342.4179.1-61.10000113.4F693 V699 L750F693-C748 HydrophobicContact CE1-CB 4.06Å; F693-C748 VanDerWaalsContact CE1-O 3.25Å; F693-C748 WeakPolarHBondContact CE1-O 2.8Å; F693-C748 HydrophobicContact CZ-CB 4.07Å; F693-C748 WeakPolarHBondContact CZ-O 3.22Å; V699-C748 HydrophobicContact CG2-CB 4.42Å; C748-L750 PolarHBondContact O-N 3.31Å
749R67.3Low84.8Confident217 Ų21742 Ų4282%0.81920%0.202SC*.THydrogen-bonded Turntrans69.12.2-178-51.5178.7176.1-179.9-2.6116.1I747I747-R749 VanDerWaalsContact C-N 3.25Å; I747-R749 PolarHBondContact O-N 3.34Å
750L71Confident85Confident30 Ų3041.8 Ų41.816%0.15720%0.2CC..EExtended strand (participates in β ladder)trans-98.1129.4169.7-66.2179.4000109.9F694 T746 I747 C748 F752 F761F694-L750 HydrophobicContact CE2-CD1 3.7Å; F694-L750 HydrophobicContact CZ-CD1 3.42Å; F694-L750 VanDerWaalsContact CZ-CD1 3.42Å; T746-L750 CarbonylContact C-O 3.51Å; T746-L750 VanDerWaalsContact CA-O 3.28Å; T746-L750 WeakPolarHBondContact CA-O 3.45Å; I747-L750 PolarHBondContact N-O 2.91Å; I747-L750 PolarHBondContact O-N 3.31Å; C748-L750 PolarHBondContact O-N 3.31Å; L750-F752 HydrophobicContact CB-CE2 3.71Å; L750-F752 HydrophobicContact CB-CZ 3.81Å; L750-F752 HydrophobicContact CD1-CZ 4.13Å; L750-F752 WeakPolarHBondContact O-CD2 3.5Å; L750-F752 WeakPolarHBondContact O-CE2 3.38Å; L750-F761 HydrophobicContact CD1-CE1 4.31Å; L750-F761 HydrophobicContact CD1-CE2 4.27Å; L750-F761 HydrophobicContact CD1-CZ 3.9Å
751T82.1Confident85.1Confident67 Ų6738 Ų3841%0.41119%0.185SC..EExtended strand (participates in β ladder)trans-90.8128.2174.7-54.60000109.6P744 F745 T746P744-T751 HydrophobicContact CB-CG2 3.97Å; F745-T751 WeakPolarHBondContact O-CA 3.3Å; T746-T751 PolarHBondContact OG1-OG1 3.26Å
752F85.7Confident85Confident4 Ų435.8 Ų35.82%0.01818%0.177CC..EExtended strand (participates in β ladder)trans-112.5133.8175.8-60.2-83.8000108.6P744 F745 I747 L750 H757 F758 F761 L783P744-F752 VanDerWaalsContact CA-O 3.31Å; P744-F752 WeakPolarHBondContact CA-O 3.46Å; F745-F752 HydrophobicContact CE1-CB 4.31Å; F745-F752 HydrophobicContact CE2-CB 4.08Å; F745-F752 HydrophobicContact CE2-CD2 4.27Å; F745-F752 HydrophobicContact CZ-CB 3.89Å; F745-F752 PolarHBondContact N-O 3.01Å; F745-F752 PolarHBondContact O-N 3.42Å; I747-F752 HydrophobicContact CB-CE2 4.17Å; L750-F752 HydrophobicContact CB-CE2 3.71Å; L750-F752 HydrophobicContact CB-CZ 3.81Å; L750-F752 HydrophobicContact CD1-CZ 4.13Å; L750-F752 WeakPolarHBondContact O-CD2 3.5Å; L750-F752 WeakPolarHBondContact O-CE2 3.38Å; F752-H757 HydrophobicContact CB-CB 4.12Å; F752-H757 HydrophobicContact CD1-CB 4.16Å; F752-F758 HydrophobicContact CB-CB 4.32Å; F752-F758 HydrophobicContact CD1-CB 4.12Å; F752-F758 HydrophobicContact CD1-CD2 4.47Å; F752-F758 HydrophobicContact CD2-CB 4.38Å; F752-F758 AromaticContact CD2-CD2 3.91Å; F752-F758 HydrophobicContact CD2-CD2 3.91Å; F752-F758 HydrophobicContact CE1-CD2 4.27Å; F752-F758 AromaticContact CE2-CD2 3.69Å; F752-F758 HydrophobicContact CE2-CD2 3.69Å; F752-F758 HydrophobicContact CE2-CE2 4.33Å; F752-F758 HydrophobicContact CG-CB 4Å; F752-F758 HydrophobicContact CG-CD2 4.3Å; F752-F758 AromaticContact CZ-CD2 3.88Å; F752-F758 HydrophobicContact CZ-CD2 3.88Å; F752-F761 HydrophobicContact CD1-CB 4.49Å; F752-F761 HydrophobicContact CE1-CB 3.67Å; F752-F761 HydrophobicContact CE1-CD1 4.05Å; F752-F761 HydrophobicContact CE1-CD2 4.14Å; F752-F761 AromaticContact CE1-CG 3.67Å; F752-F761 HydrophobicContact CE1-CG 3.67Å; F752-F761 HydrophobicContact CZ-CB 4.44Å; F752-F761 AromaticContact CZ-CD1 4Å; F752-F761 HydrophobicContact CZ-CD1 4Å; F752-F761 HydrophobicContact CZ-CG 4.08Å; F752-L783 HydrophobicContact CD1-CD2 4.1Å; F752-L783 HydrophobicContact CE1-CD2 3.89Å
753Y87.5Confident85Confident85 Ų8531.7 Ų31.733%0.33316%0.156SC..SBendtrans-77-21.8-177.3-67.2-70.3000113.6L742 A743 P744 L783L742-Y753 CarbonylContact C-O 3.44Å; L742-Y753 WeakPolarHBondContact CA-O 3.3Å; A743-Y753 CarbonylContact C-O 3.51Å; A743-Y753 PolarHBondContact N-O 2.96Å; A743-Y753 VanDerWaalsContact N-O 3.11Å; P744-Y753 HydrophobicContact CG-CD1 4.17Å; Y753-L783 WeakPolarHBondContact CE2-O 3.07Å
754S90.7Very high85Confident0 Ų031.7 Ų31.70%016%0.156CC..SBendtrans-154.6170.2176.876.90000111.6I739 Y741 E756 H757 F758 A788I739-S754 WeakPolarHBondContact O-CB 3.42Å; Y741-S754 WeakPolarHBondContact O-CB 3.32Å; S754-E756 PolarHBondContact O-N 2.78Å; S754-E756 PolarHBondContact OG-N 3.15Å; S754-H757 PolarHBondContact N-ND1 3.35Å; S754-H757 WeakPolarHBondContact O-CB 3.29Å; S754-H757 PolarHBondContact O-N 2.84Å; S754-H757 PolarHBondContact OG-N 3.25Å; S754-H757 PolarHBondContact OG-ND1 2.91Å; S754-F758 PolarHBondContact O-N 3.33Å; S754-A788 WeakPolarHBondContact OG-CB 3.49Å
755V91.1Very high84.8Confident1 Ų130.2 Ų30.21%0.00615%0.145CC..Hα-helixtrans-60.6-34.5177.31730000110.9I739 F745 F758 Y759 Y817 A820 L821 K824I739-V755 HydrophobicContact CB-CB 4.03Å; I739-V755 HydrophobicContact CB-CG1 4.26Å; I739-V755 HydrophobicContact CG2-CB 4.13Å; I739-V755 HydrophobicContact CG2-CG1 3.95Å; I739-V755 PolarHBondContact O-N 3.23Å; F745-V755 HydrophobicContact CE1-CG2 4.43Å; V755-F758 PolarHBondContact O-N 2.97Å; V755-Y759 PolarHBondContact O-N 3.41Å; V755-Y817 HydrophobicContact CG1-CD1 3.57Å; V755-Y817 HydrophobicContact CG1-CE1 3.94Å; V755-Y817 HydrophobicContact CG1-CG 4.06Å; V755-A820 HydrophobicContact CB-CB 4.32Å; V755-A820 HydrophobicContact CG1-CB 3.88Å; V755-A820 HydrophobicContact CG2-CB 4.13Å; V755-L821 HydrophobicContact CG2-CD2 4.03Å; V755-L821 HydrophobicContact CG2-CG 4.39Å; V755-K824 HydrophobicContact CG2-CD 4.06Å
756E91.6Very high84.4Confident10 Ų1032.4 Ų32.45%0.04716%0.163CC..Hα-helixtrans-64.8-39.8175.5-79.9-63.411200113.5I739 Y740 S754 F758 Y759 W760 A788 L791 Y817I739-E756 HydrophobicContact CB-CG 4.42Å; I739-E756 HydrophobicContact CD1-CG 4.23Å; I739-E756 HydrophobicContact CG1-CG 4.23Å; I739-E756 PolarHBondContact O-N 3.42Å; Y740-E756 HydrophobicContact CD1-CG 3.78Å; Y740-E756 HydrophobicContact CE1-CG 3.63Å; S754-E756 PolarHBondContact O-N 2.78Å; S754-E756 PolarHBondContact OG-N 3.15Å; E756-F758 VanDerWaalsContact C-N 3.29Å; E756-F758 PolarHBondContact O-N 3.23Å; E756-Y759 PolarHBondContact O-N 2.72Å; E756-W760 VanDerWaalsContact O-CD1 3.32Å; E756-W760 PolarHBondContact O-N 3.45Å; E756-W760 PolarHBondContact OE2-NE1 2.89Å; E756-A788 HydrophobicContact CB-CB 4.34Å; E756-L791 HydrophobicContact CB-CD1 3.82Å; E756-Y817 WeakPolarHBondContact OE1-CE1 3.22Å; E756-Y817 VanDerWaalsContact OE1-CZ 3.28Å; E756-Y817 PolarHBondContact OE1-OH 3.11Å
757H91.5Very high84.2Confident1 Ų131 Ų311%0.00516%0.159CC..Hα-helixtrans-58.5-44.6176.2-72.987.3000111.2F752 S754 F761 L782 E785 L791F752-H757 HydrophobicContact CB-CB 4.12Å; F752-H757 HydrophobicContact CD1-CB 4.16Å; S754-H757 PolarHBondContact N-ND1 3.35Å; S754-H757 WeakPolarHBondContact O-CB 3.29Å; S754-H757 PolarHBondContact O-N 2.84Å; S754-H757 PolarHBondContact OG-N 3.25Å; S754-H757 PolarHBondContact OG-ND1 2.91Å; H757-F761 VanDerWaalsContact O-CB 3.26Å; H757-F761 WeakPolarHBondContact O-CB 3.36Å; H757-F761 PolarHBondContact O-N 3.33Å; H757-L782 PolarHBondContact CD2-O 2.87Å; H757-L782 VanDerWaalsContact CD2-O 3.27Å; H757-E785 PolarHBondContact NE2-O 3.3Å; H757-L791 HydrophobicContact CB-CD1 4.38Å
758F91.4Very high84.2Confident3 Ų331.7 Ų31.71%0.01317%0.171CC..Hα-helixtrans-64.1-45.4176.6178.9-103000111.8F745 I747 F752 S754 V755 E756 F761 Q762 M816 L819 A820F745-F758 HydrophobicContact CE2-CB 4.12Å; F745-F758 HydrophobicContact CE2-CG 4.41Å; F745-F758 HydrophobicContact CZ-CB 3.87Å; I747-F758 HydrophobicContact CB-CE2 4.26Å; I747-F758 HydrophobicContact CD1-CD2 3.84Å; I747-F758 HydrophobicContact CD1-CE1 4.44Å; I747-F758 HydrophobicContact CD1-CE2 3.6Å; I747-F758 HydrophobicContact CD1-CG 4.35Å; I747-F758 HydrophobicContact CD1-CZ 3.92Å; I747-F758 HydrophobicContact CG1-CE2 4.48Å; I747-F758 HydrophobicContact CG2-CE2 4.12Å; F752-F758 HydrophobicContact CB-CB 4.32Å; F752-F758 HydrophobicContact CD1-CB 4.12Å; F752-F758 HydrophobicContact CD1-CD2 4.47Å; F752-F758 HydrophobicContact CD2-CB 4.38Å; F752-F758 AromaticContact CD2-CD2 3.91Å; F752-F758 HydrophobicContact CD2-CD2 3.91Å; F752-F758 HydrophobicContact CE1-CD2 4.27Å; F752-F758 AromaticContact CE2-CD2 3.69Å; F752-F758 HydrophobicContact CE2-CD2 3.69Å; F752-F758 HydrophobicContact CE2-CE2 4.33Å; F752-F758 HydrophobicContact CG-CB 4Å; F752-F758 HydrophobicContact CG-CD2 4.3Å; F752-F758 AromaticContact CZ-CD2 3.88Å; F752-F758 HydrophobicContact CZ-CD2 3.88Å; S754-F758 PolarHBondContact O-N 3.33Å; V755-F758 PolarHBondContact O-N 2.97Å; E756-F758 VanDerWaalsContact C-N 3.29Å; E756-F758 PolarHBondContact O-N 3.23Å; F758-F761 WeakPolarHBondContact O-CB 3.13Å; F758-F761 PolarHBondContact O-N 3.43Å; F758-Q762 HydrophobicContact CD1-CG 4.3Å; F758-Q762 HydrophobicContact CE1-CG 3.93Å; F758-Q762 HydrophobicContact CE2-CG 4.18Å; F758-Q762 VanDerWaalsContact CE2-NE2 3.32Å; F758-Q762 HydrophobicContact CZ-CG 3.87Å; F758-Q762 VanDerWaalsContact CZ-NE2 3.31Å; F758-Q762 VanDerWaalsContact O-CG 3.28Å; F758-Q762 WeakPolarHBondContact O-CG 3.38Å; F758-Q762 PolarHBondContact O-N 2.93Å; F758-M816 HydrophobicContact CD1-CB 4.45Å; F758-M816 HydrophobicContact CE1-CB 4.12Å; F758-M816 HydrophobicContact CE1-SD 3.89Å; F758-M816 HydrophobicContact CZ-SD 4.28Å; F758-L819 HydrophobicContact CE1-CD2 4.2Å; F758-L819 HydrophobicContact CZ-CD2 3.83Å; F758-A820 HydrophobicContact CB-CB 4.34Å; F758-A820 HydrophobicContact CD1-CB 3.7Å; F758-A820 HydrophobicContact CE1-CB 4.35Å; F758-A820 HydrophobicContact CG-CB 4.22Å
759Y91.8Very high84.9Confident9 Ų930 Ų304%0.03516%0.157CC..Hα-helixtrans-58.9-50.8178.7170.2-109.4000112.5V755 E756 F761 Q762 V763 T808 V811 K813 M816 Y817V755-Y759 PolarHBondContact O-N 3.41Å; E756-Y759 PolarHBondContact O-N 2.72Å; Y759-F761 VanDerWaalsContact C-N 3.32Å; Y759-F761 PolarHBondContact O-N 2.76Å; Y759-Q762 WeakPolarHBondContact O-CB 3.43Å; Y759-Q762 PolarHBondContact O-N 3.44Å; Y759-Q762 VanDerWaalsContact O-N 3.09Å; Y759-V763 HydrophobicContact CD2-CG2 4.48Å; Y759-V763 HydrophobicContact CE1-CG2 4.15Å; Y759-V763 HydrophobicContact CE2-CG2 4.01Å; Y759-V763 WeakPolarHBondContact O-CG2 3.45Å; Y759-V763 PolarHBondContact O-N 3.43Å; Y759-T808 WeakPolarHBondContact OH-CG2 3.28Å; Y759-V811 HydrophobicContact CD2-CG1 4.45Å; Y759-V811 HydrophobicContact CE2-CG1 4.25Å; Y759-K813 HydrophobicContact CD2-CG 4.14Å; Y759-K813 HydrophobicContact CE2-CB 3.87Å; Y759-K813 HydrophobicContact CE2-CD 4.1Å; Y759-K813 HydrophobicContact CE2-CG 3.69Å; Y759-M816 HydrophobicContact CD2-CB 4.49Å; Y759-Y817 HydrophobicContact CD2-CE1 4.25Å; Y759-Y817 AromaticContact CG-CE1 3.94Å; Y759-Y817 HydrophobicContact CG-CE1 3.94Å
760W91.8Very high85.1Confident12 Ų1219.9 Ų19.95%0.04512%0.119CC..Hα-helixtrans-67.2-33.6-179.7-79111.4000112.7E756 Q762 V763 L764 L782 L791 E792 I795 V804E756-W760 VanDerWaalsContact O-CD1 3.32Å; E756-W760 PolarHBondContact O-N 3.45Å; E756-W760 PolarHBondContact OE2-NE1 2.89Å; W760-Q762 VanDerWaalsContact C-N 3.32Å; W760-Q762 PolarHBondContact O-N 3.45Å; W760-V763 HydrophobicContact CE3-CB 4.18Å; W760-V763 HydrophobicContact CE3-CG1 4.26Å; W760-V763 HydrophobicContact CE3-CG2 4.33Å; W760-V763 HydrophobicContact CZ3-CG1 4.3Å; W760-V763 PolarHBondContact O-N 3.12Å; W760-L764 WeakPolarHBondContact O-CG 3.33Å; W760-L764 PolarHBondContact O-N 3.06Å; W760-L782 HydrophobicContact CB-CD1 3.62Å; W760-L791 HydrophobicContact CG-CB 4.21Å; W760-E792 HydrophobicContact CH2-CB 4.16Å; W760-E792 HydrophobicContact CH2-CG 3.85Å; W760-E792 HydrophobicContact CZ2-CB 3.51Å; W760-E792 HydrophobicContact CZ2-CG 3.64Å; W760-I795 HydrophobicContact CB-CD1 3.68Å; W760-I795 HydrophobicContact CD2-CD1 3.55Å; W760-I795 HydrophobicContact CE3-CD1 3.19Å; W760-I795 HydrophobicContact CE3-CG1 4.43Å; W760-I795 HydrophobicContact CG-CD1 3.8Å; W760-I795 HydrophobicContact CZ3-CD1 3.95Å; W760-I795 HydrophobicContact CZ3-CG2 4.28Å; W760-V804 HydrophobicContact CH2-CG1 4.23Å; W760-V804 HydrophobicContact CZ3-CG1 3.93Å
761F90.1Very high85Confident3 Ų322.7 Ų22.71%0.01313%0.131CC..Hα-helixtrans-59.3-43.3169.6-177.2-90.7000111.8F694 L750 F752 H757 F758 Y759 V763 L764 L765 V770 V779 L782 L783F694-F761 HydrophobicContact CE1-CE1 4.02Å; F694-F761 HydrophobicContact CE1-CZ 4.01Å; F694-F761 HydrophobicContact CE2-CE1 4.38Å; F694-F761 HydrophobicContact CE2-CE2 4.47Å; F694-F761 AromaticContact CE2-CZ 3.59Å; F694-F761 HydrophobicContact CE2-CZ 3.59Å; F694-F761 AromaticContact CZ-CE1 3.62Å; F694-F761 HydrophobicContact CZ-CE1 3.62Å; F694-F761 HydrophobicContact CZ-CE2 4.44Å; F694-F761 AromaticContact CZ-CZ 3.27Å; F694-F761 HydrophobicContact CZ-CZ 3.27Å; L750-F761 HydrophobicContact CD1-CE1 4.31Å; L750-F761 HydrophobicContact CD1-CE2 4.27Å; L750-F761 HydrophobicContact CD1-CZ 3.9Å; F752-F761 HydrophobicContact CD1-CB 4.49Å; F752-F761 HydrophobicContact CE1-CB 3.67Å; F752-F761 HydrophobicContact CE1-CD1 4.05Å; F752-F761 HydrophobicContact CE1-CD2 4.14Å; F752-F761 AromaticContact CE1-CG 3.67Å; F752-F761 HydrophobicContact CE1-CG 3.67Å; F752-F761 HydrophobicContact CZ-CB 4.44Å; F752-F761 AromaticContact CZ-CD1 4Å; F752-F761 HydrophobicContact CZ-CD1 4Å; F752-F761 HydrophobicContact CZ-CG 4.08Å; H757-F761 VanDerWaalsContact O-CB 3.26Å; H757-F761 WeakPolarHBondContact O-CB 3.36Å; H757-F761 PolarHBondContact O-N 3.33Å; F758-F761 WeakPolarHBondContact O-CB 3.13Å; F758-F761 PolarHBondContact O-N 3.43Å; Y759-F761 VanDerWaalsContact C-N 3.32Å; Y759-F761 PolarHBondContact O-N 2.76Å; F761-V763 VanDerWaalsContact C-N 3.35Å; F761-V763 PolarHBondContact O-N 2.69Å; F761-L764 PolarHBondContact O-N 3.25Å; F761-L765 HydrophobicContact CE1-CD2 4.37Å; F761-L765 WeakPolarHBondContact O-CB 3.4Å; F761-L765 PolarHBondContact O-N 2.93Å; F761-V770 HydrophobicContact CE2-CG1 4.31Å; F761-V770 HydrophobicContact CE2-CG2 4.05Å; F761-V770 HydrophobicContact CZ-CG1 3.96Å; F761-V770 HydrophobicContact CZ-CG2 4.06Å; F761-V779 HydrophobicContact CD2-CG1 4.29Å; F761-V779 HydrophobicContact CE2-CG1 3.86Å; F761-L782 HydrophobicContact CB-CD2 4.06Å; F761-L782 HydrophobicContact CD2-CD2 4.34Å; F761-L783 HydrophobicContact CD2-CD2 4.35Å
762Q87.2Confident84.5Confident27 Ų2721 Ų2113%0.12612%0.122CC..Hα-helixtrans-65.5-35.9176.7-67.4-68.1-17.100112.4F758 Y759 W760 L765 A766 V811 M816F758-Q762 HydrophobicContact CD1-CG 4.3Å; F758-Q762 HydrophobicContact CE1-CG 3.93Å; F758-Q762 HydrophobicContact CE2-CG 4.18Å; F758-Q762 VanDerWaalsContact CE2-NE2 3.32Å; F758-Q762 HydrophobicContact CZ-CG 3.87Å; F758-Q762 VanDerWaalsContact CZ-NE2 3.31Å; F758-Q762 VanDerWaalsContact O-CG 3.28Å; F758-Q762 WeakPolarHBondContact O-CG 3.38Å; F758-Q762 PolarHBondContact O-N 2.93Å; Y759-Q762 WeakPolarHBondContact O-CB 3.43Å; Y759-Q762 PolarHBondContact O-N 3.44Å; Y759-Q762 VanDerWaalsContact O-N 3.09Å; W760-Q762 VanDerWaalsContact C-N 3.32Å; W760-Q762 PolarHBondContact O-N 3.45Å; Q762-L765 PolarHBondContact O-N 3.42Å; Q762-A766 WeakPolarHBondContact O-CB 3.17Å; Q762-A766 PolarHBondContact O-N 3.31Å; Q762-V811 HydrophobicContact CB-CG1 4.14Å; Q762-V811 HydrophobicContact CB-CG2 4.49Å; Q762-M816 HydrophobicContact CB-CG 4.31Å; Q762-M816 HydrophobicContact CB-SD 4.14Å; Q762-M816 HydrophobicContact CG-CG 4.27Å; Q762-M816 HydrophobicContact CG-SD 3.63Å
763V87Confident83.9Confident3 Ų326.4 Ų26.42%0.01816%0.155CC..Hα-helixtrans-62.7-45.1173174.60000111Y759 W760 F761 L765 G767 C807 V811Y759-V763 HydrophobicContact CD2-CG2 4.48Å; Y759-V763 HydrophobicContact CE1-CG2 4.15Å; Y759-V763 HydrophobicContact CE2-CG2 4.01Å; Y759-V763 WeakPolarHBondContact O-CG2 3.45Å; Y759-V763 PolarHBondContact O-N 3.43Å; W760-V763 HydrophobicContact CE3-CB 4.18Å; W760-V763 HydrophobicContact CE3-CG1 4.26Å; W760-V763 HydrophobicContact CE3-CG2 4.33Å; W760-V763 HydrophobicContact CZ3-CG1 4.3Å; W760-V763 PolarHBondContact O-N 3.12Å; F761-V763 VanDerWaalsContact C-N 3.35Å; F761-V763 PolarHBondContact O-N 2.69Å; V763-L765 VanDerWaalsContact C-N 3.34Å; V763-G767 PolarHBondContact O-N 2.97Å; V763-C807 HydrophobicContact CG1-CB 3.92Å; V763-V811 HydrophobicContact CG2-CB 4.46Å; V763-V811 HydrophobicContact CG2-CG2 4.18Å
764L86.6Confident83.3Confident2 Ų228.4 Ų28.41%0.0117%0.172CC..Hα-helixtrans-65.9-37.1175.9-67.8-177.3000112.3W760 F761 G768 F769 V770 L778 V779 L782 I795 L799W760-L764 WeakPolarHBondContact O-CG 3.33Å; W760-L764 PolarHBondContact O-N 3.06Å; F761-L764 PolarHBondContact O-N 3.25Å; L764-G768 PolarHBondContact O-N 3.22Å; L764-F769 HydrophobicContact CB-CB 4.22Å; L764-F769 HydrophobicContact CD2-CB 4.15Å; L764-F769 HydrophobicContact CD2-CD2 4.1Å; L764-F769 HydrophobicContact CD2-CG 4.25Å; L764-F769 WeakPolarHBondContact O-CB 3.29Å; L764-F769 PolarHBondContact O-N 3.35Å; L764-V770 HydrophobicContact CB-CG2 3.98Å; L764-L778 HydrophobicContact CD1-CD2 4.41Å; L764-L778 HydrophobicContact CD1-CG 4.29Å; L764-L778 HydrophobicContact CD2-CD2 4.1Å; L764-V779 HydrophobicContact CD1-CG2 4.19Å; L764-L782 HydrophobicContact CD1-CD1 3.84Å; L764-I795 HydrophobicContact CD1-CD1 4.41Å; L764-I795 HydrophobicContact CD2-CD1 4.42Å; L764-I795 HydrophobicContact CG-CD1 4.31Å; L764-L799 HydrophobicContact CD2-CD1 3.7Å
765L83.3Confident82.8Confident26 Ų2631.1 Ų31.114%0.13619%0.185CC..Hα-helixtrans-65.6-48.2177.1-175.564.4000111F694 F761 Q762 V763 G767 G768 V770F694-L765 HydrophobicContact CD1-CD1 4.15Å; F694-L765 HydrophobicContact CE1-CD1 4.47Å; F694-L765 HydrophobicContact CE1-CD2 4.5Å; F761-L765 HydrophobicContact CE1-CD2 4.37Å; F761-L765 WeakPolarHBondContact O-CB 3.4Å; F761-L765 PolarHBondContact O-N 2.93Å; Q762-L765 PolarHBondContact O-N 3.42Å; V763-L765 VanDerWaalsContact C-N 3.34Å; L765-G767 VanDerWaalsContact C-N 3.29Å; L765-G767 PolarHBondContact O-N 3.19Å; L765-G768 PolarHBondContact O-N 3.26Å; L765-V770 HydrophobicContact CB-CG2 3.98Å; L765-V770 HydrophobicContact CD1-CB 3.84Å; L765-V770 HydrophobicContact CD1-CG1 4.04Å; L765-V770 HydrophobicContact CD1-CG2 4.18Å
766A78.1Confident82Confident46 Ų4633 Ų3338%0.3819%0.194SC..Hα-helixtrans-64.2-33.5178.100000112.7Q762 G768 L810 V811Q762-A766 WeakPolarHBondContact O-CB 3.17Å; Q762-A766 PolarHBondContact O-N 3.31Å; A766-G768 PolarHBondContact O-N 2.99Å; A766-L810 HydrophobicContact CB-CB 3.9Å; A766-L810 HydrophobicContact CB-CD1 4.37Å; A766-V811 HydrophobicContact CB-CG2 3.58Å
767G78.9Confident81.5Confident25 Ų2536.1 Ų36.126%0.25822%0.215SC..THydrogen-bonded Turntrans-75.2-4171.800000114.7V763 L765 F769V763-G767 PolarHBondContact O-N 2.97Å; L765-G767 VanDerWaalsContact C-N 3.29Å; L765-G767 PolarHBondContact O-N 3.19Å; G767-F769 VanDerWaalsContact C-N 3.26Å; G767-F769 WeakPolarHBondContact O-CE2 3.18Å; G767-F769 PolarHBondContact O-N 3.16Å
768G76.6Confident81.3Confident34 Ų3436.4 Ų36.435%0.35122%0.217SC..THydrogen-bonded Turntrans76.36.1-178.700000114.9L764 L765 A766 V770 H771L764-G768 PolarHBondContact O-N 3.22Å; L765-G768 PolarHBondContact O-N 3.26Å; A766-G768 PolarHBondContact O-N 2.99Å; G768-V770 PolarHBondContact O-N 3.1Å; G768-H771 PolarHBondContact O-N 3.36Å
769F82Confident80.9Confident26 Ų2636.4 Ų36.411%0.11422%0.217CC..G310 helixtrans-69.2-32.5-177.6-61.3-76.6000112.5L764 G767 H771 S772 H775 L799 V803L764-F769 HydrophobicContact CB-CB 4.22Å; L764-F769 HydrophobicContact CD2-CB 4.15Å; L764-F769 HydrophobicContact CD2-CD2 4.1Å; L764-F769 HydrophobicContact CD2-CG 4.25Å; L764-F769 WeakPolarHBondContact O-CB 3.29Å; L764-F769 PolarHBondContact O-N 3.35Å; G767-F769 VanDerWaalsContact C-N 3.26Å; G767-F769 WeakPolarHBondContact O-CE2 3.18Å; G767-F769 PolarHBondContact O-N 3.16Å; F769-H771 PolarHBondContact O-N 3.35Å; F769-S772 PolarHBondContact O-N 3.22Å; F769-S772 VanDerWaalsContact O-N 3.09Å; F769-H775 HydrophobicContact CB-CB 4.14Å; F769-H775 HydrophobicContact CD1-CB 4.34Å; F769-H775 AromaticContact CD1-CD2 3.47Å; F769-H775 VanDerWaalsContact CD1-CD2 3.47Å; F769-H775 WeakPolarHBondContact CD1-CD2 3.46Å; F769-H775 AromaticContact CD1-CG 3.78Å; F769-H775 AromaticContact CD1-NE2 3.75Å; F769-H775 AromaticContact CE1-NE2 3.94Å; F769-L799 HydrophobicContact CD1-CD1 4.11Å; F769-L799 HydrophobicContact CD1-CD2 3.95Å; F769-L799 HydrophobicContact CD2-CD1 4.1Å; F769-L799 HydrophobicContact CE1-CD1 4.05Å; F769-L799 HydrophobicContact CE1-CD2 3.61Å; F769-L799 HydrophobicContact CE2-CD1 4.01Å; F769-L799 HydrophobicContact CG-CD1 4.17Å; F769-L799 HydrophobicContact CZ-CD1 4.03Å; F769-L799 HydrophobicContact CZ-CD2 4.18Å; F769-V803 HydrophobicContact CE1-CG1 4.23Å; F769-V803 HydrophobicContact CE2-CG1 4.01Å; F769-V803 HydrophobicContact CZ-CG1 3.35Å
770V72.4Confident80.4Confident4 Ų440.4 Ų40.42%0.02424%0.235CC..G310 helixtrans-63.8-25.7177.1178.40000112.3F694 F761 L764 L765 G768 V779F694-V770 HydrophobicContact CD2-CG1 3.78Å; F694-V770 HydrophobicContact CE2-CG1 4.13Å; F694-V770 HydrophobicContact CG-CG1 4.11Å; F761-V770 HydrophobicContact CE2-CG1 4.31Å; F761-V770 HydrophobicContact CE2-CG2 4.05Å; F761-V770 HydrophobicContact CZ-CG1 3.96Å; F761-V770 HydrophobicContact CZ-CG2 4.06Å; L764-V770 HydrophobicContact CB-CG2 3.98Å; L765-V770 HydrophobicContact CB-CG2 3.98Å; L765-V770 HydrophobicContact CD1-CB 3.84Å; L765-V770 HydrophobicContact CD1-CG1 4.04Å; L765-V770 HydrophobicContact CD1-CG2 4.18Å; G768-V770 PolarHBondContact O-N 3.1Å; V770-V779 HydrophobicContact CG2-CG2 4.08Å
771H67.9Low80Confident88 Ų8844.7 Ų44.741%0.40725%0.251SS..G310 helixtrans-89.5-10.1177.6-57.3-59.3000113.5G768 F769G768-H771 PolarHBondContact O-N 3.36Å; F769-H771 PolarHBondContact O-N 3.35Å
772S71.3Confident79.8Confident31 Ų3144.5 Ų44.522%0.21725%0.25CS..  trans-86.4126.4179.91790000110.8F769 D774 H775 L776F769-S772 PolarHBondContact O-N 3.22Å; F769-S772 VanDerWaalsContact O-N 3.09Å; S772-D774 PolarHBondContact O-N 3.5Å; S772-D774 PolarHBondContact OG-N 3.4Å; S772-H775 PolarHBondContact O-N 2.97Å; S772-H775 PolarHBondContact OG-CD2 3.39Å; S772-L776 PolarHBondContact O-N 2.95Å
773T72.9Confident79.6Confident118 Ų11845.1 Ų45.172%0.72425%0.254SS*.THydrogen-bonded Turntrans-58.6-31.7170.543.90000112H775T773-H775 VanDerWaalsContact C-N 3.32Å; T773-H775 PolarHBondContact O-N 2.91Å
774D75.5Confident79.3Confident128 Ų12851.6 Ų51.668%0.68428%0.284SS*.THydrogen-bonded Turntrans-73.9-26.5-175.4-55.2-17.2000111.7S772S772-D774 PolarHBondContact O-N 3.5Å; S772-D774 PolarHBondContact OG-N 3.4Å
775H79.9Confident79.3Confident57 Ų5753.6 Ų53.626%0.26429%0.294SS..THydrogen-bonded Turntrans-105.91.1-178.9-59.8-66.5000113.6F769 S772 T773 P777 L778 V779F769-H775 HydrophobicContact CB-CB 4.14Å; F769-H775 HydrophobicContact CD1-CB 4.34Å; F769-H775 AromaticContact CD1-CD2 3.47Å; F769-H775 VanDerWaalsContact CD1-CD2 3.47Å; F769-H775 WeakPolarHBondContact CD1-CD2 3.46Å; F769-H775 AromaticContact CD1-CG 3.78Å; F769-H775 AromaticContact CD1-NE2 3.75Å; F769-H775 AromaticContact CE1-NE2 3.94Å; S772-H775 PolarHBondContact O-N 2.97Å; S772-H775 PolarHBondContact OG-CD2 3.39Å; T773-H775 VanDerWaalsContact C-N 3.32Å; T773-H775 PolarHBondContact O-N 2.91Å; H775-P777 VanDerWaalsContact C-N 3.31Å; H775-L778 WeakPolarHBondContact O-CB 3.12Å; H775-L778 PolarHBondContact O-N 3.3Å; H775-V779 PolarHBondContact O-N 3.41Å; H775-V779 VanDerWaalsContact O-N 3.12Å
776L75.1Confident79.2Confident39 Ų3957 Ų5720%0.20432%0.315CS..Hα-helixtrans-55.4-37.3173.7-171.364.9000113.4S772 L778 V779 K780S772-L776 PolarHBondContact O-N 2.95Å; L776-L778 VanDerWaalsContact C-N 3.33Å; L776-L778 PolarHBondContact O-N 2.81Å; L776-V779 PolarHBondContact O-N 3.17Å; L776-K780 WeakPolarHBondContact O-CG 3.4Å; L776-K780 PolarHBondContact O-N 2.68Å
777P80.8Confident79.4Confident76 Ų7657 Ų5749%0.49431%0.309SS..Hα-helixtrans-60.7-38.7173.1-24.235.3000113.5H775 K780 R781H775-P777 VanDerWaalsContact C-N 3.31Å; P777-K780 PolarHBondContact O-N 3.28Å; P777-R781 WeakPolarHBondContact O-CG 3.43Å; P777-R781 PolarHBondContact O-N 3.02Å
778L86.2Confident79.6Confident8 Ų856 Ų564%0.04230%0.298CS..Hα-helixtrans-64.9-43.4175.8170.462.7000110.9L764 H775 L776 K780 R781 L782 L794 I795 E798 L799L764-L778 HydrophobicContact CD1-CD2 4.41Å; L764-L778 HydrophobicContact CD1-CG 4.29Å; L764-L778 HydrophobicContact CD2-CD2 4.1Å; H775-L778 WeakPolarHBondContact O-CB 3.12Å; H775-L778 PolarHBondContact O-N 3.3Å; L776-L778 VanDerWaalsContact C-N 3.33Å; L776-L778 PolarHBondContact O-N 2.81Å; L778-K780 VanDerWaalsContact C-N 3.33Å; L778-K780 PolarHBondContact O-N 2.89Å; L778-R781 PolarHBondContact O-N 3Å; L778-L782 WeakPolarHBondContact O-CB 3.25Å; L778-L782 PolarHBondContact O-N 2.83Å; L778-L794 HydrophobicContact CD1-CG 4.38Å; L778-I795 HydrophobicContact CD1-CG1 4.41Å; L778-E798 HydrophobicContact CD1-CB 4.1Å; L778-E798 HydrophobicContact CD1-CG 4.05Å; L778-E798 HydrophobicContact CD2-CB 4.12Å; L778-L799 HydrophobicContact CD2-CD1 4.03Å; L778-L799 HydrophobicContact CD2-CG 3.97Å
779V83.4Confident79.9Confident3 Ų357.9 Ų57.92%0.01831%0.305CS..Hα-helixtrans-62.1-41.7176.21790000111.1F761 L764 V770 H775 L776 L782 L783F761-V779 HydrophobicContact CD2-CG1 4.29Å; F761-V779 HydrophobicContact CE2-CG1 3.86Å; L764-V779 HydrophobicContact CD1-CG2 4.19Å; V770-V779 HydrophobicContact CG2-CG2 4.08Å; H775-V779 PolarHBondContact O-N 3.41Å; H775-V779 VanDerWaalsContact O-N 3.12Å; L776-V779 PolarHBondContact O-N 3.17Å; V779-L782 PolarHBondContact O-N 3.27Å; V779-L783 HydrophobicContact CG1-CD1 4.24Å; V779-L783 WeakPolarHBondContact O-CG 3.4Å; V779-L783 PolarHBondContact O-N 3.45Å
780K80.6Confident80Confident92 Ų9261.5 Ų61.540%0.432%0.321SS..Hα-helixtrans-62.1-46.1174.7-74.7-176.5177.3-171.30111.9L776 P777 L778 L782 L783 Q784L776-K780 WeakPolarHBondContact O-CG 3.4Å; L776-K780 PolarHBondContact O-N 2.68Å; P777-K780 PolarHBondContact O-N 3.28Å; L778-K780 VanDerWaalsContact C-N 3.33Å; L778-K780 PolarHBondContact O-N 2.89Å; K780-L782 VanDerWaalsContact C-N 3.33Å; K780-L782 PolarHBondContact O-N 2.74Å; K780-L783 PolarHBondContact O-N 2.92Å; K780-Q784 WeakPolarHBondContact O-CB 3.24Å; K780-Q784 WeakPolarHBondContact O-CG 3.47Å; K780-Q784 PolarHBondContact O-N 2.88Å
781R84.6Confident80.8Confident102 Ų10261.3 Ų61.339%0.38532%0.32SS..Hα-helixtrans-60.5-42.6176.4-75.4172.465.8-168.3-1.7111.6P777 L778 L783 Q784 E785 L794 E798P777-R781 WeakPolarHBondContact O-CG 3.43Å; P777-R781 PolarHBondContact O-N 3.02Å; L778-R781 PolarHBondContact O-N 3Å; R781-L783 VanDerWaalsContact C-N 3.32Å; R781-L783 PolarHBondContact O-N 3.33Å; R781-Q784 PolarHBondContact O-N 3.18Å; R781-Q784 VanDerWaalsContact O-N 3.14Å; R781-E785 PolarHBondContact O-N 3.43Å; R781-L794 HydrophobicContact CB-CD1 4.32Å; R781-L794 HydrophobicContact CB-CD2 4.32Å; R781-E798 IonicContact CZ-OE1 2.7Å; R781-E798 IonicContact NH1-OE1 2.76Å; R781-E798 PolarHBondContact NH1-OE1 3.16Å
782L86.7Confident81.7Confident0 Ų062.8 Ų62.80%033%0.327CS..Hα-helixtrans-59-43.4174.8176.6145.5000111.8H757 W760 F761 L764 L778 V779 K780 Q784 L791 L794 I795H757-L782 PolarHBondContact CD2-O 2.87Å; H757-L782 VanDerWaalsContact CD2-O 3.27Å; W760-L782 HydrophobicContact CB-CD1 3.62Å; F761-L782 HydrophobicContact CB-CD2 4.06Å; F761-L782 HydrophobicContact CD2-CD2 4.34Å; L764-L782 HydrophobicContact CD1-CD1 3.84Å; L778-L782 WeakPolarHBondContact O-CB 3.25Å; L778-L782 PolarHBondContact O-N 2.83Å; V779-L782 PolarHBondContact O-N 3.27Å; K780-L782 VanDerWaalsContact C-N 3.33Å; K780-L782 PolarHBondContact O-N 2.74Å; L782-Q784 VanDerWaalsContact C-N 3.27Å; L782-Q784 PolarHBondContact O-N 3Å; L782-L791 HydrophobicContact CG-CD2 4.22Å; L782-L794 HydrophobicContact CB-CD2 4.38Å; L782-I795 HydrophobicContact CD1-CD1 3.79Å; L782-I795 HydrophobicContact CD1-CG1 4.42Å
783L81.9Confident82.5Confident40 Ų4064.5 Ų64.521%0.20934%0.339CS..Hα-helixtrans-75.9-12.7178.8-67173.5000113.6F752 Y753 F761 V779 K780 R781F752-L783 HydrophobicContact CD1-CD2 4.1Å; F752-L783 HydrophobicContact CE1-CD2 3.89Å; Y753-L783 WeakPolarHBondContact CE2-O 3.07Å; F761-L783 HydrophobicContact CD2-CD2 4.35Å; V779-L783 HydrophobicContact CG1-CD1 4.24Å; V779-L783 WeakPolarHBondContact O-CG 3.4Å; V779-L783 PolarHBondContact O-N 3.45Å; K780-L783 PolarHBondContact O-N 2.92Å; R781-L783 VanDerWaalsContact C-N 3.32Å; R781-L783 PolarHBondContact O-N 3.33Å
784Q81.2Confident83.3Confident139 Ų13959.4 Ų59.465%0.6531%0.307SS*.Hα-helixtrans-102.6-17.6179.4-73.9173.7-1800113.3K780 R781 L782 T786K780-Q784 WeakPolarHBondContact O-CB 3.24Å; K780-Q784 WeakPolarHBondContact O-CG 3.47Å; K780-Q784 PolarHBondContact O-N 2.88Å; R781-Q784 PolarHBondContact O-N 3.18Å; R781-Q784 VanDerWaalsContact O-N 3.14Å; L782-Q784 VanDerWaalsContact C-N 3.27Å; L782-Q784 PolarHBondContact O-N 3Å; Q784-T786 PolarHBondContact O-N 3.1Å
785E85.6Confident84Confident44 Ų4453.4 Ų53.421%0.20628%0.275CS..  trans-62.3130.5177.1-177.154.7-101.700109.6H757 R781 D787 K790 L791 L794H757-E785 PolarHBondContact NE2-O 3.3Å; R781-E785 PolarHBondContact O-N 3.43Å; E785-D787 WeakPolarHBondContact CG-O 3.44Å; E785-D787 WeakPolarHBondContact OE1-CB 3.33Å; E785-D787 PolarHBondContact OE1-N 3.44Å; E785-K790 HydrophobicContact CG-CB 4.49Å; E785-L791 HydrophobicContact CB-CD2 3.95Å; E785-L791 HydrophobicContact CG-CD2 3.94Å; E785-L794 HydrophobicContact CB-CD2 4.31Å
786T80.8Confident84.3Confident96 Ų9653.7 Ų53.759%0.58928%0.281SS*.  trans-97.5-14.5179.352.50000111.7L742 Q784L742-T786 WeakPolarHBondContact CD1-O 3.25Å; L742-T786 VanDerWaalsContact CD2-O 3.32Å; L742-T786 WeakPolarHBondContact CD2-O 3.13Å; Q784-T786 PolarHBondContact O-N 3.1Å
787D82.1Confident85Confident47 Ų4755.5 Ų55.525%0.25130%0.297SS..  trans-103.7101.5-179.8-172-13.2000111E785 C789 K790E785-D787 WeakPolarHBondContact CG-O 3.44Å; E785-D787 WeakPolarHBondContact OE1-CB 3.33Å; E785-D787 PolarHBondContact OE1-N 3.44Å; D787-C789 PolarHBondContact O-N 3.18Å; D787-C789 VanDerWaalsContact O-N 3.14Å; D787-C789 VanDerWaalsContact OD1-CB 3.3Å; D787-C789 WeakPolarHBondContact OD1-CB 3.3Å; D787-C789 PolarHBondContact OD1-N 3.22Å; D787-K790 HydrophobicContact CB-CB 4.32Å; D787-K790 HydrophobicContact CB-CD 4.01Å; D787-K790 HydrophobicContact CB-CG 4.08Å; D787-K790 PolarHBondContact O-N 3.43Å; D787-K790 VanDerWaalsContact OD2-CE 3.26Å; D787-K790 WeakPolarHBondContact OD2-CE 3.49Å; D787-K790 WeakPolarHBondContact OD2-CG 3.25Å; D787-K790 IonicContact OD2-NZ 2.69Å; D787-K790 PolarHBondContact OD2-NZ 2.81Å
788A84.2Confident85.1Confident4 Ų456.8 Ų56.83%0.03330%0.297CS..G310 helixtrans-59.2-26179.800000113.1Y740 S754 E756 K790Y740-A788 HydrophobicContact CD1-CB 3.93Å; S754-A788 WeakPolarHBondContact OG-CB 3.49Å; E756-A788 HydrophobicContact CB-CB 4.34Å; A788-K790 VanDerWaalsContact C-N 3.26Å; A788-K790 PolarHBondContact O-N 2.98Å
789C81.9Confident85.1Confident74 Ų7457 Ų5750%0.530%0.298SS..G310 helixtrans-72.8-19.7178.8-61.80000112.4D787D787-C789 PolarHBondContact O-N 3.18Å; D787-C789 VanDerWaalsContact O-N 3.14Å; D787-C789 VanDerWaalsContact OD1-CB 3.3Å; D787-C789 WeakPolarHBondContact OD1-CB 3.3Å; D787-C789 PolarHBondContact OD1-N 3.22Å
790K85.2Confident85.2Confident102 Ų10260.2 Ų60.244%0.44332%0.32SS..G310 helixtrans-88.5-10.2-179.6-70.4-176.2-178.7115.70114.1E785 D787 A788 E792 S793 L794E785-K790 HydrophobicContact CG-CB 4.49Å; D787-K790 HydrophobicContact CB-CB 4.32Å; D787-K790 HydrophobicContact CB-CD 4.01Å; D787-K790 HydrophobicContact CB-CG 4.08Å; D787-K790 PolarHBondContact O-N 3.43Å; D787-K790 VanDerWaalsContact OD2-CE 3.26Å; D787-K790 WeakPolarHBondContact OD2-CE 3.49Å; D787-K790 WeakPolarHBondContact OD2-CG 3.25Å; D787-K790 IonicContact OD2-NZ 2.69Å; D787-K790 PolarHBondContact OD2-NZ 2.81Å; A788-K790 VanDerWaalsContact C-N 3.26Å; A788-K790 PolarHBondContact O-N 2.98Å; K790-E792 PolarHBondContact O-N 3.47Å; K790-S793 PolarHBondContact O-N 3.27Å; K790-S793 VanDerWaalsContact O-N 3.09Å; K790-S793 PolarHBondContact O-OG 2.98Å; K790-L794 WeakPolarHBondContact O-CB 3.4Å; K790-L794 PolarHBondContact O-N 2.97Å
791L89.2Confident85.2Confident0 Ų058.2 Ų58.20%033%0.325CS..Hα-helixtrans-60.5-40.9-171.2-67.9173.5000114.2E756 H757 W760 L782 E785 L794 I795E756-L791 HydrophobicContact CB-CD1 3.82Å; H757-L791 HydrophobicContact CB-CD1 4.38Å; W760-L791 HydrophobicContact CG-CB 4.21Å; L782-L791 HydrophobicContact CG-CD2 4.22Å; E785-L791 HydrophobicContact CB-CD2 3.95Å; E785-L791 HydrophobicContact CG-CD2 3.94Å; L791-L794 HydrophobicContact CD2-CD2 4.43Å; L791-L794 WeakPolarHBondContact O-CB 3.36Å; L791-L794 PolarHBondContact O-N 3.05Å; L791-I795 WeakPolarHBondContact O-CG1 3.34Å; L791-I795 PolarHBondContact O-N 3.16Å
792E87.2Confident85Confident118 Ų11862.3 Ų62.355%0.55135%0.346SS*.Hα-helixtrans-64.2-44.7175.3-175.6170.4-175.700111.1W760 K790 L794 I795 T796W760-E792 HydrophobicContact CH2-CB 4.16Å; W760-E792 HydrophobicContact CH2-CG 3.85Å; W760-E792 HydrophobicContact CZ2-CB 3.51Å; W760-E792 HydrophobicContact CZ2-CG 3.64Å; K790-E792 PolarHBondContact O-N 3.47Å; E792-L794 VanDerWaalsContact C-N 3.31Å; E792-L794 PolarHBondContact O-N 3.02Å; E792-I795 PolarHBondContact O-N 3.27Å; E792-T796 HydrophobicContact CG-CG2 4.28Å; E792-T796 WeakPolarHBondContact O-CB 3.44Å; E792-T796 WeakPolarHBondContact O-CG2 3.48Å; E792-T796 PolarHBondContact O-N 2.93Å; E792-T796 PolarHBondContact O-OG1 3.49Å
793S86.5Confident84.9Confident68 Ų6865 Ų6548%0.47636%0.362SS..Hα-helixtrans-63.5-38.4177.675.20000112K790 T796 S797K790-S793 PolarHBondContact O-N 3.27Å; K790-S793 VanDerWaalsContact O-N 3.09Å; K790-S793 PolarHBondContact O-OG 2.98Å; S793-T796 WeakPolarHBondContact CA-OG1 2.96Å; S793-T796 PolarHBondContact O-OG1 3.49Å; S793-S797 VanDerWaalsContact O-CB 3.29Å; S793-S797 WeakPolarHBondContact O-CB 3.43Å; S793-S797 PolarHBondContact O-N 3.11Å; S793-S797 PolarHBondContact O-OG 3.24Å
794L90.1Very high85Confident11 Ų1163.6 Ų63.66%0.05836%0.355CS..Hα-helixtrans-61.2-48.4175.8177.168.9000110.7L778 R781 L782 E785 K790 L791 E792 S797L778-L794 HydrophobicContact CD1-CG 4.38Å; R781-L794 HydrophobicContact CB-CD1 4.32Å; R781-L794 HydrophobicContact CB-CD2 4.32Å; L782-L794 HydrophobicContact CB-CD2 4.38Å; E785-L794 HydrophobicContact CB-CD2 4.31Å; K790-L794 WeakPolarHBondContact O-CB 3.4Å; K790-L794 PolarHBondContact O-N 2.97Å; L791-L794 HydrophobicContact CD2-CD2 4.43Å; L791-L794 WeakPolarHBondContact O-CB 3.36Å; L791-L794 PolarHBondContact O-N 3.05Å; E792-L794 VanDerWaalsContact C-N 3.31Å; E792-L794 PolarHBondContact O-N 3.02Å; L794-S797 PolarHBondContact O-N 3.11Å; L794-S797 PolarHBondContact O-OG 3.44Å
795I90Very high85Confident1 Ų160.1 Ų60.11%0.00535%0.35CS..Hα-helixtrans-69.7-44.1-179.5-72.7172.5000111.6W760 L764 L778 L782 L791 E792 S797 E798 L799 V804W760-I795 HydrophobicContact CB-CD1 3.68Å; W760-I795 HydrophobicContact CD2-CD1 3.55Å; W760-I795 HydrophobicContact CE3-CD1 3.19Å; W760-I795 HydrophobicContact CE3-CG1 4.43Å; W760-I795 HydrophobicContact CG-CD1 3.8Å; W760-I795 HydrophobicContact CZ3-CD1 3.95Å; W760-I795 HydrophobicContact CZ3-CG2 4.28Å; L764-I795 HydrophobicContact CD1-CD1 4.41Å; L764-I795 HydrophobicContact CD2-CD1 4.42Å; L764-I795 HydrophobicContact CG-CD1 4.31Å; L778-I795 HydrophobicContact CD1-CG1 4.41Å; L782-I795 HydrophobicContact CD1-CD1 3.79Å; L782-I795 HydrophobicContact CD1-CG1 4.42Å; L791-I795 WeakPolarHBondContact O-CG1 3.34Å; L791-I795 PolarHBondContact O-N 3.16Å; E792-I795 PolarHBondContact O-N 3.27Å; I795-S797 PolarHBondContact O-N 3.04Å; I795-E798 PolarHBondContact O-N 3.25Å; I795-E798 VanDerWaalsContact O-N 3.16Å; I795-L799 HydrophobicContact CG2-CD1 4.2Å; I795-L799 PolarHBondContact O-N 3.29Å; I795-V804 HydrophobicContact CG2-CG2 3.78Å
796T87.8Confident84.8Confident63 Ų6360.1 Ų60.139%0.38736%0.362SS..Hα-helixtrans-69.5-19.1179.953.10000113.1E792 S793 V804E792-T796 HydrophobicContact CG-CG2 4.28Å; E792-T796 WeakPolarHBondContact O-CB 3.44Å; E792-T796 WeakPolarHBondContact O-CG2 3.48Å; E792-T796 PolarHBondContact O-N 2.93Å; E792-T796 PolarHBondContact O-OG1 3.49Å; S793-T796 WeakPolarHBondContact CA-OG1 2.96Å; S793-T796 PolarHBondContact O-OG1 3.49Å; T796-V804 HydrophobicContact CG2-CG2 4.44Å
797S87.8Confident84.9Confident77 Ų7756.1 Ų56.154%0.53834%0.338SS..Hα-helixtrans-72.2-27.5171.476.10000113.7S793 L794 I795S793-S797 VanDerWaalsContact O-CB 3.29Å; S793-S797 WeakPolarHBondContact O-CB 3.43Å; S793-S797 PolarHBondContact O-N 3.11Å; S793-S797 PolarHBondContact O-OG 3.24Å; L794-S797 PolarHBondContact O-N 3.11Å; L794-S797 PolarHBondContact O-OG 3.44Å; I795-S797 PolarHBondContact O-N 3.04Å
798E84Confident84.9Confident104 Ų10456.1 Ų56.149%0.48634%0.34SS..Hα-helixtrans-108.6-28.9-175.6-66.6-69.6163.700112.9L778 R781 I795L778-E798 HydrophobicContact CD1-CB 4.1Å; L778-E798 HydrophobicContact CD1-CG 4.05Å; L778-E798 HydrophobicContact CD2-CB 4.12Å; R781-E798 IonicContact CZ-OE1 2.7Å; R781-E798 IonicContact NH1-OE1 2.76Å; R781-E798 PolarHBondContact NH1-OE1 3.16Å; I795-E798 PolarHBondContact O-N 3.25Å; I795-E798 VanDerWaalsContact O-N 3.16Å
799L87.2Confident84.7Confident13 Ų1360.2 Ų60.27%0.06837%0.366CS..SBendtrans-114.8133.7177.4-63.3179.9000110.3L764 F769 L778 I795 G801 V803 V804L764-L799 HydrophobicContact CD2-CD1 3.7Å; F769-L799 HydrophobicContact CD1-CD1 4.11Å; F769-L799 HydrophobicContact CD1-CD2 3.95Å; F769-L799 HydrophobicContact CD2-CD1 4.1Å; F769-L799 HydrophobicContact CE1-CD1 4.05Å; F769-L799 HydrophobicContact CE1-CD2 3.61Å; F769-L799 HydrophobicContact CE2-CD1 4.01Å; F769-L799 HydrophobicContact CG-CD1 4.17Å; F769-L799 HydrophobicContact CZ-CD1 4.03Å; F769-L799 HydrophobicContact CZ-CD2 4.18Å; L778-L799 HydrophobicContact CD2-CD1 4.03Å; L778-L799 HydrophobicContact CD2-CG 3.97Å; I795-L799 HydrophobicContact CG2-CD1 4.2Å; I795-L799 PolarHBondContact O-N 3.29Å; L799-G801 PolarHBondContact O-N 3.35Å; L799-V803 HydrophobicContact CB-CG1 4.48Å; L799-V804 HydrophobicContact CB-CG2 3.85Å
800S83.9Confident84.5Confident70 Ų7061.1 Ų61.149%0.4937%0.366SS..  trans-57.6141.7177.575.90000111.3K802 V803 V804S800-K802 PolarHBondContact O-N 3.2Å; S800-V803 WeakPolarHBondContact O-CA 3.26Å; S800-V803 WeakPolarHBondContact O-CB 3.45Å; S800-V803 PolarHBondContact O-N 3.45Å; S800-V803 VanDerWaalsContact OG-CG2 3.25Å; S800-V803 WeakPolarHBondContact OG-CG2 3.2Å; S800-V803 PolarHBondContact OG-N 3.45Å; S800-V804 PolarHBondContact O-N 3.48Å; S800-V804 VanDerWaalsContact O-N 3.12Å
801G80.8Confident84Confident49 Ų4957 Ų5751%0.50535%0.349SS..Hα-helixtrans-54.7-26.7178.900000114.2L799 A805L799-G801 PolarHBondContact O-N 3.35Å; G801-A805 WeakPolarHBondContact O-CB 3.38Å; G801-A805 PolarHBondContact O-N 3.26Å
802K81.6Confident83.5Confident188 Ų18860.5 Ų60.582%0.81737%0.368SS*.Hα-helixtrans-66.9-39.4172.4-71.1-174.8179.5179.30113S800 G806S800-K802 PolarHBondContact O-N 3.2Å; K802-G806 PolarHBondContact O-N 2.9Å; K802-G806 VanDerWaalsContact O-N 3.1Å
803V84.7Confident83.4Confident57 Ų5759.4 Ų59.435%0.34536%0.361SS..Hα-helixtrans-69-47.3178.4168.10000109.7F769 L799 S800 A805 G806 C807F769-V803 HydrophobicContact CE1-CG1 4.23Å; F769-V803 HydrophobicContact CE2-CG1 4.01Å; F769-V803 HydrophobicContact CZ-CG1 3.35Å; L799-V803 HydrophobicContact CB-CG1 4.48Å; S800-V803 WeakPolarHBondContact O-CA 3.26Å; S800-V803 WeakPolarHBondContact O-CB 3.45Å; S800-V803 PolarHBondContact O-N 3.45Å; S800-V803 VanDerWaalsContact OG-CG2 3.25Å; S800-V803 WeakPolarHBondContact OG-CG2 3.2Å; S800-V803 PolarHBondContact OG-N 3.45Å; V803-A805 PolarHBondContact O-N 3.27Å; V803-G806 PolarHBondContact O-N 3.22Å; V803-G806 VanDerWaalsContact O-N 3.08Å; V803-C807 PolarHBondContact O-N 3.03Å; V803-C807 VanDerWaalsContact O-N 3.11Å; V803-C807 PolarHBondContact O-SG 3.3Å
804V83.8Confident82.9Confident11 Ų1158.2 Ų58.27%0.06735%0.352CS..Hα-helixtrans-58.5-50.1176.5-178.20000110.4W760 I795 T796 L799 S800 G806 C807 T808W760-V804 HydrophobicContact CH2-CG1 4.23Å; W760-V804 HydrophobicContact CZ3-CG1 3.93Å; I795-V804 HydrophobicContact CG2-CG2 3.78Å; T796-V804 HydrophobicContact CG2-CG2 4.44Å; L799-V804 HydrophobicContact CB-CG2 3.85Å; S800-V804 PolarHBondContact O-N 3.48Å; S800-V804 VanDerWaalsContact O-N 3.12Å; V804-G806 PolarHBondContact O-N 3.4Å; V804-G806 VanDerWaalsContact O-N 3.14Å; V804-C807 PolarHBondContact O-N 3.41Å; V804-T808 PolarHBondContact O-N 2.94Å; V804-T808 PolarHBondContact O-OG1 3.19Å
805A80.9Confident82.2Confident65 Ų6559.7 Ų59.754%0.53737%0.366SS..Hα-helixtrans-60.3-24.3176.700000114.1G801 V803 P809G801-A805 WeakPolarHBondContact O-CB 3.38Å; G801-A805 PolarHBondContact O-N 3.26Å; V803-A805 PolarHBondContact O-N 3.27Å; A805-P809 WeakPolarHBondContact O-CD 3.17Å; A805-P809 WeakPolarHBondContact O-CG 3.33Å
806G81.7Confident81.9Confident45 Ų4561 Ų6146%0.46437%0.373SS..Hα-helixtrans-79.6-25.7172.900000113.9K802 V803 V804K802-G806 PolarHBondContact O-N 2.9Å; K802-G806 VanDerWaalsContact O-N 3.1Å; V803-G806 PolarHBondContact O-N 3.22Å; V803-G806 VanDerWaalsContact O-N 3.08Å; V804-G806 PolarHBondContact O-N 3.4Å; V804-G806 VanDerWaalsContact O-N 3.14Å
807C82.9Confident82Confident12 Ų1258.8 Ų58.88%0.08136%0.357CS..Hα-helixtrans-91.9-36-178-59.50000112.7V763 V803 V804 P809 L810V763-C807 HydrophobicContact CG1-CB 3.92Å; V803-C807 PolarHBondContact O-N 3.03Å; V803-C807 VanDerWaalsContact O-N 3.11Å; V803-C807 PolarHBondContact O-SG 3.3Å; V804-C807 PolarHBondContact O-N 3.41Å; C807-P809 VanDerWaalsContact C-CD 3.42Å; C807-P809 VanDerWaalsContact C-N 3.33Å; C807-L810 WeakPolarHBondContact O-CB 3.41Å; C807-L810 WeakPolarHBondContact O-CG 3.34Å; C807-L810 PolarHBondContact O-N 2.65Å
808T82.2Confident81.7Confident46 Ų4657.3 Ų57.328%0.28234%0.343SS..G310 helixtrans-50.9-42.9179.1-53.30000113.7Y759 V804 L810 V811Y759-T808 WeakPolarHBondContact OH-CG2 3.28Å; V804-T808 PolarHBondContact O-N 2.94Å; V804-T808 PolarHBondContact O-OG1 3.19Å; T808-L810 PolarHBondContact O-N 3.38Å; T808-V811 PolarHBondContact O-N 3Å
809P79.9Confident81.7Confident91 Ų9155.2 Ų55.259%0.59134%0.336SS*.G310 helixtrans-69.3-16.1178-19.333.7000114.6A805 C807 V811A805-P809 WeakPolarHBondContact O-CD 3.17Å; A805-P809 WeakPolarHBondContact O-CG 3.33Å; C807-P809 VanDerWaalsContact C-CD 3.42Å; C807-P809 VanDerWaalsContact C-N 3.33Å; P809-V811 PolarHBondContact O-N 2.9Å
810L78Confident81.8Confident93 Ų9354.6 Ų54.649%0.48733%0.332SS..G310 helixtrans-74.1-17.6178.1-55.9176.3000112A766 C807 T808A766-L810 HydrophobicContact CB-CB 3.9Å; A766-L810 HydrophobicContact CB-CD1 4.37Å; C807-L810 WeakPolarHBondContact O-CB 3.41Å; C807-L810 WeakPolarHBondContact O-CG 3.34Å; C807-L810 PolarHBondContact O-N 2.65Å; T808-L810 PolarHBondContact O-N 3.38Å
811V74.1Confident82.1Confident16 Ų1651.4 Ų51.410%0.09731%0.31CS..SBendtrans-111.1124.5-176.9-178.40000109.7Y759 Q762 V763 A766 T808 P809 K813 M816Y759-V811 HydrophobicContact CD2-CG1 4.45Å; Y759-V811 HydrophobicContact CE2-CG1 4.25Å; Q762-V811 HydrophobicContact CB-CG1 4.14Å; Q762-V811 HydrophobicContact CB-CG2 4.49Å; V763-V811 HydrophobicContact CG2-CB 4.46Å; V763-V811 HydrophobicContact CG2-CG2 4.18Å; A766-V811 HydrophobicContact CB-CG2 3.58Å; T808-V811 PolarHBondContact O-N 3Å; P809-V811 PolarHBondContact O-N 2.9Å; V811-K813 PolarHBondContact O-N 3.17Å; V811-M816 HydrophobicContact CG1-CB 4.48Å; V811-M816 HydrophobicContact CG1-CG 3.38Å; V811-M816 HydrophobicContact CG1-SD 4.4Å
812N79.2Confident82.4Confident73 Ų7353 Ų5339%0.3930%0.3SS..  trans-74.297.1170.1-175.3-26.2000109.7S814 A815 M816N812-S814 VanDerWaalsContact C-N 3.3Å; N812-S814 PolarHBondContact O-N 3.34Å; N812-S814 PolarHBondContact OD1-N 3.1Å; N812-A815 HydrophobicContact CB-CB 3.94Å; N812-A815 PolarHBondContact O-N 2.87Å; N812-A815 VanDerWaalsContact O-N 3.14Å; N812-A815 PolarHBondContact OD1-N 3.04Å; N812-A815 VanDerWaalsContact OD1-N 3.14Å; N812-M816 WeakPolarHBondContact O-CG 3.21Å; N812-M816 PolarHBondContact O-N 2.92Å
813K83.6Confident82.7Confident95 Ų9547 Ų4741%0.41328%0.275SS..Hα-helixtrans-53.2-44-178.1-173.8169.6-176.1168.80113Y759 V811 M816 Y817Y759-K813 HydrophobicContact CD2-CG 4.14Å; Y759-K813 HydrophobicContact CE2-CB 3.87Å; Y759-K813 HydrophobicContact CE2-CD 4.1Å; Y759-K813 HydrophobicContact CE2-CG 3.69Å; V811-K813 PolarHBondContact O-N 3.17Å; K813-M816 PolarHBondContact O-N 3.37Å; K813-Y817 WeakPolarHBondContact CE-OH 3.32Å; K813-Y817 HydrophobicContact CG-CD1 4.46Å; K813-Y817 HydrophobicContact CG-CE1 4.23Å; K813-Y817 HydrophobicContact CG-CE2 4.25Å; K813-Y817 PolarHBondContact NZ-OH 3.46Å; K813-Y817 VanDerWaalsContact NZ-OH 3.17Å; K813-Y817 WeakPolarHBondContact O-CB 3.41Å; K813-Y817 PolarHBondContact O-N 2.97Å
814S75.9Confident83.1Confident42 Ų4244.3 Ų44.329%0.29426%0.259SS..Hα-helixtrans-61.9-45.5178.8-174.70000111.5N812 M816 Y817 D818 M892N812-S814 VanDerWaalsContact C-N 3.3Å; N812-S814 PolarHBondContact O-N 3.34Å; N812-S814 PolarHBondContact OD1-N 3.1Å; S814-M816 PolarHBondContact O-N 3.15Å; S814-Y817 PolarHBondContact O-N 3.42Å; S814-D818 PolarHBondContact O-N 2.95Å; S814-M892 WeakPolarHBondContact O-CE 3.35Å
815A75.7Confident83.3Confident42 Ų4243.8 Ų43.835%0.34726%0.256SS..Hα-helixtrans-65.1-38.7178.100000112.8N812 D818 L819N812-A815 HydrophobicContact CB-CB 3.94Å; N812-A815 PolarHBondContact O-N 2.87Å; N812-A815 VanDerWaalsContact O-N 3.14Å; N812-A815 PolarHBondContact OD1-N 3.04Å; N812-A815 VanDerWaalsContact OD1-N 3.14Å; A815-D818 PolarHBondContact O-N 2.9Å; A815-L819 PolarHBondContact O-N 3.31Å; A815-L819 VanDerWaalsContact O-N 3.14Å
816M85.2Confident83.4Confident29 Ų2943.8 Ų43.814%0.14325%0.252CS..Hα-helixtrans-69.5-39.9178.1-66.1-55.897.500112.1F758 Y759 Q762 V811 N812 K813 S814 A820F758-M816 HydrophobicContact CD1-CB 4.45Å; F758-M816 HydrophobicContact CE1-CB 4.12Å; F758-M816 HydrophobicContact CE1-SD 3.89Å; F758-M816 HydrophobicContact CZ-SD 4.28Å; Y759-M816 HydrophobicContact CD2-CB 4.49Å; Q762-M816 HydrophobicContact CB-CG 4.31Å; Q762-M816 HydrophobicContact CB-SD 4.14Å; Q762-M816 HydrophobicContact CG-CG 4.27Å; Q762-M816 HydrophobicContact CG-SD 3.63Å; V811-M816 HydrophobicContact CG1-CB 4.48Å; V811-M816 HydrophobicContact CG1-CG 3.38Å; V811-M816 HydrophobicContact CG1-SD 4.4Å; N812-M816 WeakPolarHBondContact O-CG 3.21Å; N812-M816 PolarHBondContact O-N 2.92Å; K813-M816 PolarHBondContact O-N 3.37Å; S814-M816 PolarHBondContact O-N 3.15Å; M816-A820 VanDerWaalsContact O-CB 3.28Å; M816-A820 WeakPolarHBondContact O-CB 3.44Å; M816-A820 PolarHBondContact O-N 2.85Å
817Y89.2Confident83.7Confident16 Ų1645.2 Ų45.26%0.06325%0.246CC..Hα-helixtrans-64.5-41.9173.9-78.68000111.7I739 V755 E756 Y759 K813 S814 L819 A820 L821 Y889I739-Y817 HydrophobicContact CD1-CE2 4.1Å; I739-Y817 WeakPolarHBondContact CD1-OH 3.42Å; I739-Y817 HydrophobicContact CG2-CD2 4.45Å; I739-Y817 HydrophobicContact CG2-CE2 4.21Å; V755-Y817 HydrophobicContact CG1-CD1 3.57Å; V755-Y817 HydrophobicContact CG1-CE1 3.94Å; V755-Y817 HydrophobicContact CG1-CG 4.06Å; E756-Y817 WeakPolarHBondContact OE1-CE1 3.22Å; E756-Y817 VanDerWaalsContact OE1-CZ 3.28Å; E756-Y817 PolarHBondContact OE1-OH 3.11Å; Y759-Y817 HydrophobicContact CD2-CE1 4.25Å; Y759-Y817 AromaticContact CG-CE1 3.94Å; Y759-Y817 HydrophobicContact CG-CE1 3.94Å; K813-Y817 WeakPolarHBondContact CE-OH 3.32Å; K813-Y817 HydrophobicContact CG-CD1 4.46Å; K813-Y817 HydrophobicContact CG-CE1 4.23Å; K813-Y817 HydrophobicContact CG-CE2 4.25Å; K813-Y817 PolarHBondContact NZ-OH 3.46Å; K813-Y817 VanDerWaalsContact NZ-OH 3.17Å; K813-Y817 WeakPolarHBondContact O-CB 3.41Å; K813-Y817 PolarHBondContact O-N 2.97Å; S814-Y817 PolarHBondContact O-N 3.42Å; Y817-L819 PolarHBondContact O-N 2.85Å; Y817-A820 PolarHBondContact O-N 2.92Å; Y817-L821 VanDerWaalsContact O-CB 3.27Å; Y817-L821 WeakPolarHBondContact O-CB 3.43Å; Y817-L821 WeakPolarHBondContact O-CG 3.32Å; Y817-L821 PolarHBondContact O-N 2.89Å; Y817-Y889 HydrophobicContact CD2-CD2 4.24Å
818D82Confident83.9Confident46 Ų4645.5 Ų45.525%0.24625%0.247CC..Hα-helixtrans-60.1-48.5178.4-177.959.4000110.6S814 A815 L821 R822 M892S814-D818 PolarHBondContact O-N 2.95Å; A815-D818 PolarHBondContact O-N 2.9Å; D818-L821 PolarHBondContact O-N 3.36Å; D818-R822 VanDerWaalsContact O-CG 3.26Å; D818-R822 WeakPolarHBondContact O-CG 3.25Å; D818-R822 PolarHBondContact O-N 2.91Å; D818-R822 IonicContact OD1-CZ 3.8Å; D818-R822 IonicContact OD1-NE 3.82Å; D818-R822 PolarHBondContact OD1-NE 3.27Å; D818-R822 IonicContact OD1-NH2 3.12Å; D818-R822 PolarHBondContact OD1-NH2 2.94Å; D818-R822 IonicContact OD2-CZ 2.67Å; D818-R822 IonicContact OD2-NE 3.72Å; D818-R822 PolarHBondContact OD2-NE 3.4Å; D818-R822 IonicContact OD2-NH2 3.6Å; D818-M892 HydrophobicContact CB-CE 3.58Å
819L83.9Confident83.8Confident61 Ų6147.2 Ų47.232%0.31926%0.259SS..Hα-helixtrans-60.1-50.4177.8179.462.5000111.7I747 F758 A815 Y817 L821 R822 E823I747-L819 HydrophobicContact CD1-CG 4.38Å; F758-L819 HydrophobicContact CE1-CD2 4.2Å; F758-L819 HydrophobicContact CZ-CD2 3.83Å; A815-L819 PolarHBondContact O-N 3.31Å; A815-L819 VanDerWaalsContact O-N 3.14Å; Y817-L819 PolarHBondContact O-N 2.85Å; L819-L821 PolarHBondContact O-N 3.48Å; L819-R822 PolarHBondContact O-N 3.45Å; L819-E823 WeakPolarHBondContact O-CG 3.49Å; L819-E823 PolarHBondContact O-N 2.95Å; L819-E823 VanDerWaalsContact O-N 3.11Å
820A89.3Confident83.9Confident0 Ų048.6 Ų48.60%026%0.258CS..Hα-helixtrans-64.2-38.4-179.600000112.7F745 V755 F758 M816 Y817 E823 K824F745-A820 HydrophobicContact CE2-CB 4.03Å; F745-A820 HydrophobicContact CZ-CB 3.84Å; V755-A820 HydrophobicContact CB-CB 4.32Å; V755-A820 HydrophobicContact CG1-CB 3.88Å; V755-A820 HydrophobicContact CG2-CB 4.13Å; F758-A820 HydrophobicContact CB-CB 4.34Å; F758-A820 HydrophobicContact CD1-CB 3.7Å; F758-A820 HydrophobicContact CE1-CB 4.35Å; F758-A820 HydrophobicContact CG-CB 4.22Å; M816-A820 VanDerWaalsContact O-CB 3.28Å; M816-A820 WeakPolarHBondContact O-CB 3.44Å; M816-A820 PolarHBondContact O-N 2.85Å; Y817-A820 PolarHBondContact O-N 2.92Å; A820-E823 PolarHBondContact O-N 3.11Å; A820-K824 WeakPolarHBondContact O-CB 3.22Å; A820-K824 PolarHBondContact O-N 3.42Å
821L89.6Confident84.2Confident2 Ų244.4 Ų44.41%0.0124%0.236CC..Hα-helixtrans-64.9-46.2175.8-75.2169.6000111.4V755 Y817 D818 L819 E823 K824 F825 Y889 M892 L893 L896V755-L821 HydrophobicContact CG2-CD2 4.03Å; V755-L821 HydrophobicContact CG2-CG 4.39Å; Y817-L821 VanDerWaalsContact O-CB 3.27Å; Y817-L821 WeakPolarHBondContact O-CB 3.43Å; Y817-L821 WeakPolarHBondContact O-CG 3.32Å; Y817-L821 PolarHBondContact O-N 2.89Å; D818-L821 PolarHBondContact O-N 3.36Å; L819-L821 PolarHBondContact O-N 3.48Å; L821-E823 VanDerWaalsContact C-N 3.27Å; L821-E823 PolarHBondContact O-N 3.47Å; L821-K824 PolarHBondContact O-N 3.5Å; L821-F825 HydrophobicContact CD2-CD2 4.49Å; L821-F825 HydrophobicContact CD2-CE2 4.06Å; L821-F825 VanDerWaalsContact O-CD2 3.31Å; L821-F825 WeakPolarHBondContact O-CD2 3.38Å; L821-F825 PolarHBondContact O-N 2.86Å; L821-Y889 HydrophobicContact CD1-CD2 4.19Å; L821-Y889 HydrophobicContact CD1-CE2 3.66Å; L821-Y889 HydrophobicContact CD2-CE2 3.85Å; L821-Y889 HydrophobicContact CG-CE2 4.17Å; L821-M892 HydrophobicContact CD1-CB 4.36Å; L821-M892 HydrophobicContact CD1-CE 4.13Å; L821-L893 HydrophobicContact CD1-CD2 4.36Å; L821-L893 HydrophobicContact CD2-CD2 3.99Å; L821-L896 HydrophobicContact CB-CD2 4.39Å
822R86.8Confident84.6Confident82 Ų8244.7 Ų44.731%0.30924%0.236SC..Hα-helixtrans-56.7-43.1176.8-73.1170.7-177.9-70-18.6111.6D818 L819 S826 L896 Q899D818-R822 VanDerWaalsContact O-CG 3.26Å; D818-R822 WeakPolarHBondContact O-CG 3.25Å; D818-R822 PolarHBondContact O-N 2.91Å; D818-R822 IonicContact OD1-CZ 3.8Å; D818-R822 IonicContact OD1-NE 3.82Å; D818-R822 PolarHBondContact OD1-NE 3.27Å; D818-R822 IonicContact OD1-NH2 3.12Å; D818-R822 PolarHBondContact OD1-NH2 2.94Å; D818-R822 IonicContact OD2-CZ 2.67Å; D818-R822 IonicContact OD2-NE 3.72Å; D818-R822 PolarHBondContact OD2-NE 3.4Å; D818-R822 IonicContact OD2-NH2 3.6Å; L819-R822 PolarHBondContact O-N 3.45Å; R822-S826 WeakPolarHBondContact O-CB 3.48Å; R822-S826 PolarHBondContact O-N 3.08Å; R822-S826 PolarHBondContact O-OG 3.44Å; R822-L896 HydrophobicContact CG-CD1 4.04Å; R822-Q899 VanDerWaalsContact NH2-OE1 3.11Å
823E89Confident84.6Confident64 Ų6443.7 Ų43.730%0.29924%0.244SC..Hα-helixtrans-73.1-38.1177.8-66.8-62.7153.800112.9F745 I747 L819 A820 L821 S826 Q827F745-E823 HydrophobicContact CD2-CB 3.94Å; I747-E823 HydrophobicContact CD1-CB 4.06Å; I747-E823 HydrophobicContact CD1-CG 3.87Å; I747-E823 HydrophobicContact CG1-CB 4.09Å; I747-E823 HydrophobicContact CG1-CG 3.9Å; L819-E823 WeakPolarHBondContact O-CG 3.49Å; L819-E823 PolarHBondContact O-N 2.95Å; L819-E823 VanDerWaalsContact O-N 3.11Å; A820-E823 PolarHBondContact O-N 3.11Å; L821-E823 VanDerWaalsContact C-N 3.27Å; L821-E823 PolarHBondContact O-N 3.47Å; E823-S826 WeakPolarHBondContact CA-OG 3.19Å; E823-S826 PolarHBondContact O-OG 3.03Å; E823-S826 VanDerWaalsContact O-OG 3.09Å; E823-Q827 WeakPolarHBondContact O-CB 3.41Å; E823-Q827 VanDerWaalsContact O-CG 3.29Å; E823-Q827 WeakPolarHBondContact O-CG 3.27Å; E823-Q827 PolarHBondContact O-N 3.09Å; E823-Q827 VanDerWaalsContact O-N 3.1Å; E823-Q827 PolarHBondContact OE2-NE2 3.15Å
824K91.8Very high84.5Confident0 Ų042 Ų420%024%0.241CC..Hα-helixtrans-57.2-55172.5174.8179.2162.8178.30110.7P736 S738 A743 F745 V755 A820 L821 Q827 N828 L831P736-K824 PolarHBondContact O-NZ 2.9Å; S738-K824 PolarHBondContact O-NZ 3.34Å; A743-K824 HydrophobicContact CB-CD 4.19Å; A743-K824 HydrophobicContact CB-CG 4.05Å; F745-K824 HydrophobicContact CD1-CB 3.82Å; F745-K824 HydrophobicContact CD1-CG 4.38Å; F745-K824 HydrophobicContact CE1-CB 4.3Å; F745-K824 HydrophobicContact CG-CB 4.26Å; V755-K824 HydrophobicContact CG2-CD 4.06Å; A820-K824 WeakPolarHBondContact O-CB 3.22Å; A820-K824 PolarHBondContact O-N 3.42Å; L821-K824 PolarHBondContact O-N 3.5Å; K824-Q827 PolarHBondContact O-N 3.45Å; K824-N828 VanDerWaalsContact O-CB 3.25Å; K824-N828 WeakPolarHBondContact O-CB 3.39Å; K824-N828 PolarHBondContact O-N 3.43Å; K824-N828 PolarHBondContact O-ND2 2.7Å; K824-L831 HydrophobicContact CD-CD1 4.4Å; K824-L831 HydrophobicContact CG-CD1 4.09Å
825F88.3Confident84.9Confident0 Ų040.2 Ų40.20%023%0.228CC..Hα-helixtrans-72.4-29.7-177.4-80.1-86.6000113.4L737 L821 L831 I832 L835 L893 L896 Y900L737-F825 HydrophobicContact CD2-CE1 4.35Å; L737-F825 HydrophobicContact CD2-CZ 3.92Å; L821-F825 HydrophobicContact CD2-CD2 4.49Å; L821-F825 HydrophobicContact CD2-CE2 4.06Å; L821-F825 VanDerWaalsContact O-CD2 3.31Å; L821-F825 WeakPolarHBondContact O-CD2 3.38Å; L821-F825 PolarHBondContact O-N 2.86Å; F825-L831 HydrophobicContact CD1-CB 3.75Å; F825-L831 HydrophobicContact CE1-CB 3.62Å; F825-L831 WeakPolarHBondContact CE1-O 3.3Å; F825-L831 HydrophobicContact CZ-CB 4.49Å; F825-I832 HydrophobicContact CD1-CG1 4.32Å; F825-L835 HydrophobicContact CD1-CB 4.38Å; F825-L835 HydrophobicContact CD1-CD2 4Å; F825-L835 HydrophobicContact CE1-CB 3.62Å; F825-L835 HydrophobicContact CE1-CD2 3.73Å; F825-L835 HydrophobicContact CE1-CG 4.19Å; F825-L835 HydrophobicContact CE2-CD2 4.45Å; F825-L835 HydrophobicContact CG-CD2 4.49Å; F825-L835 HydrophobicContact CZ-CB 4.17Å; F825-L835 HydrophobicContact CZ-CD1 4.45Å; F825-L835 HydrophobicContact CZ-CD2 3.97Å; F825-L835 HydrophobicContact CZ-CG 4.43Å; F825-L893 HydrophobicContact CE2-CD2 3.66Å; F825-L893 HydrophobicContact CZ-CD2 3.95Å; F825-L896 HydrophobicContact CB-CD2 4.12Å; F825-L896 HydrophobicContact CD2-CD2 3.43Å; F825-L896 VanDerWaalsContact CD2-CD2 3.43Å; F825-L896 HydrophobicContact CE2-CD2 4Å; F825-L896 HydrophobicContact CG-CD2 3.84Å; F825-Y900 HydrophobicContact CB-CE2 3.82Å; F825-Y900 WeakPolarHBondContact CB-OH 3.11Å; F825-Y900 HydrophobicContact CG-CE2 4.41Å
826S83.7Confident85.1Confident65 Ų6539.4 Ų39.446%0.45522%0.22SC..Hα-helixtrans-70.5-33.6175.571.20000112.7R822 E823 Y900R822-S826 WeakPolarHBondContact O-CB 3.48Å; R822-S826 PolarHBondContact O-N 3.08Å; R822-S826 PolarHBondContact O-OG 3.44Å; E823-S826 WeakPolarHBondContact CA-OG 3.19Å; E823-S826 PolarHBondContact O-OG 3.03Å; E823-S826 VanDerWaalsContact O-OG 3.09Å; S826-Y900 PolarHBondContact N-OH 3.42Å
827Q88.3Confident84.3Confident74 Ų7440.9 Ų40.935%0.34623%0.228SC..Hα-helixtrans-95-13.6-177-61.7179.744.400113.7F745 T746 E823 K824 P829F745-Q827 HydrophobicContact CB-CB 4.49Å; T746-Q827 PolarHBondContact O-NE2 2.94Å; E823-Q827 WeakPolarHBondContact O-CB 3.41Å; E823-Q827 VanDerWaalsContact O-CG 3.29Å; E823-Q827 WeakPolarHBondContact O-CG 3.27Å; E823-Q827 PolarHBondContact O-N 3.09Å; E823-Q827 VanDerWaalsContact O-N 3.1Å; E823-Q827 PolarHBondContact OE2-NE2 3.15Å; K824-Q827 PolarHBondContact O-N 3.45Å; Q827-P829 WeakPolarHBondContact O-CD 3.21Å
828N87Confident82.9Confident19 Ų1946 Ų4610%0.10225%0.253CS..  trans-123.872.3178-60.1-91.7000109.2P744 K824 E830 L831P744-N828 PolarHBondContact O-ND2 2.81Å; P744-N828 PolarHBondContact O-OD1 3.16Å; K824-N828 VanDerWaalsContact O-CB 3.25Å; K824-N828 WeakPolarHBondContact O-CB 3.39Å; K824-N828 PolarHBondContact O-N 3.43Å; K824-N828 PolarHBondContact O-ND2 2.7Å; N828-E830 WeakPolarHBondContact CA-OE2 3.42Å; N828-E830 WeakPolarHBondContact CB-OE1 3.38Å; N828-E830 PolarHBondContact O-N 2.87Å; N828-L831 HydrophobicContact CB-CD1 3.78Å; N828-L831 HydrophobicContact CB-CG 4.01Å; N828-L831 WeakPolarHBondContact O-CB 3.38Å; N828-L831 PolarHBondContact O-N 2.8Å
829P79.9Confident82.1Confident82 Ų8250.6 Ų50.653%0.53227%0.267SS..THydrogen-bonded Turntrans-61.8-23.5-17125-34.8000114.4Q827 L831 I832Q827-P829 WeakPolarHBondContact O-CD 3.21Å; P829-L831 PolarHBondContact O-N 3.44Å; P829-I832 HydrophobicContact CB-CD1 4.37Å; P829-I832 VanDerWaalsContact O-CB 3.27Å; P829-I832 WeakPolarHBondContact O-CB 3.35Å; P829-I832 PolarHBondContact O-N 2.75Å; P829-I832 VanDerWaalsContact O-N 3.08Å
830E81.2Confident81.6Confident120 Ų12048 Ų4856%0.56125%0.254SS*.Hα-helixtrans-58.8-30.3172.967.8-76.9-178.800112.7N828 I832 G833N828-E830 WeakPolarHBondContact CA-OE2 3.42Å; N828-E830 WeakPolarHBondContact CB-OE1 3.38Å; N828-E830 PolarHBondContact O-N 2.87Å; E830-I832 VanDerWaalsContact C-N 3.3Å; E830-I832 PolarHBondContact O-N 3.43Å; E830-G833 PolarHBondContact O-N 3.42Å
831L83.9Confident81.4Confident5 Ų548.4 Ų48.43%0.02626%0.256CS..Hα-helixtrans-73.4-24.1177.7-58.8-177.3000112.4P736 Y741 A743 K824 F825 N828 P829 G833 V834 L835P736-L831 HydrophobicContact CB-CD2 3.81Å; Y741-L831 HydrophobicContact CE1-CD2 4.06Å; A743-L831 HydrophobicContact CB-CD1 3.81Å; K824-L831 HydrophobicContact CD-CD1 4.4Å; K824-L831 HydrophobicContact CG-CD1 4.09Å; F825-L831 HydrophobicContact CD1-CB 3.75Å; F825-L831 HydrophobicContact CE1-CB 3.62Å; F825-L831 WeakPolarHBondContact CE1-O 3.3Å; F825-L831 HydrophobicContact CZ-CB 4.49Å; N828-L831 HydrophobicContact CB-CD1 3.78Å; N828-L831 HydrophobicContact CB-CG 4.01Å; N828-L831 WeakPolarHBondContact O-CB 3.38Å; N828-L831 PolarHBondContact O-N 2.8Å; P829-L831 PolarHBondContact O-N 3.44Å; L831-G833 PolarHBondContact O-N 3.09Å; L831-V834 WeakPolarHBondContact O-CB 3.38Å; L831-V834 PolarHBondContact O-N 3.15Å; L831-V834 VanDerWaalsContact O-N 3.16Å; L831-L835 PolarHBondContact O-N 3.08Å
832I83.7Confident81.2Confident21 Ų2148.3 Ų48.311%0.10826%0.256CS..Hα-helixtrans-61.6-38.8177-59.3175.4000109.7F825 P829 E830 V834 L835 C836 Y900 F904F825-I832 HydrophobicContact CD1-CG1 4.32Å; P829-I832 HydrophobicContact CB-CD1 4.37Å; P829-I832 VanDerWaalsContact O-CB 3.27Å; P829-I832 WeakPolarHBondContact O-CB 3.35Å; P829-I832 PolarHBondContact O-N 2.75Å; P829-I832 VanDerWaalsContact O-N 3.08Å; E830-I832 VanDerWaalsContact C-N 3.3Å; E830-I832 PolarHBondContact O-N 3.43Å; I832-V834 VanDerWaalsContact C-N 3.33Å; I832-V834 PolarHBondContact O-N 3.12Å; I832-L835 PolarHBondContact O-N 3.42Å; I832-C836 VanDerWaalsContact O-CB 3.27Å; I832-C836 WeakPolarHBondContact O-CB 3.49Å; I832-C836 PolarHBondContact O-N 2.93Å; I832-Y900 HydrophobicContact CD1-CD1 4.22Å; I832-Y900 HydrophobicContact CD1-CE1 3.85Å; I832-Y900 HydrophobicContact CG1-CE1 4.43Å; I832-Y900 HydrophobicContact CG1-CE2 4.41Å; I832-Y900 HydrophobicContact CG2-CD1 4.42Å; I832-Y900 HydrophobicContact CG2-CD2 4.49Å; I832-Y900 HydrophobicContact CG2-CG 4.17Å; I832-F904 HydrophobicContact CD1-CE2 4.31Å; I832-F904 HydrophobicContact CD1-CZ 4.19Å; I832-F904 HydrophobicContact CG2-CD2 4.47Å; I832-F904 HydrophobicContact CG2-CE2 3.73Å; I832-F904 HydrophobicContact CG2-CZ 4.42Å
833G77.5Confident81.3Confident53 Ų5344.5 Ų44.555%0.54624%0.242SC..Hα-helixtrans-61.2-40.5175.300000112.8E830 L831 D837E830-G833 PolarHBondContact O-N 3.42Å; L831-G833 PolarHBondContact O-N 3.09Å; G833-D837 PolarHBondContact O-N 2.94Å
834V83.3Confident81.1Confident59 Ų5941.7 Ų41.736%0.35823%0.229SC..Hα-helixtrans-67.1-43.1176.1-175.70000111.2P736 L737 L831 I832P736-V834 HydrophobicContact CB-CG1 4.31Å; L737-V834 HydrophobicContact CD2-CG1 4.09Å; L737-V834 HydrophobicContact CG-CG1 4.11Å; L831-V834 WeakPolarHBondContact O-CB 3.38Å; L831-V834 PolarHBondContact O-N 3.15Å; L831-V834 VanDerWaalsContact O-N 3.16Å; I832-V834 VanDerWaalsContact C-N 3.33Å; I832-V834 PolarHBondContact O-N 3.12Å
835L84.3Confident80.6Confident4 Ų443.4 Ų43.42%0.02124%0.241CC..Hα-helixtrans-68.3-36.8178.9-17964.3000112.7L737 F825 L831 I832 D837 L843 L893 L896 R897 Y900L737-L835 HydrophobicContact CD2-CB 4.11Å; L737-L835 HydrophobicContact CD2-CD1 4.11Å; F825-L835 HydrophobicContact CD1-CB 4.38Å; F825-L835 HydrophobicContact CD1-CD2 4Å; F825-L835 HydrophobicContact CE1-CB 3.62Å; F825-L835 HydrophobicContact CE1-CD2 3.73Å; F825-L835 HydrophobicContact CE1-CG 4.19Å; F825-L835 HydrophobicContact CE2-CD2 4.45Å; F825-L835 HydrophobicContact CG-CD2 4.49Å; F825-L835 HydrophobicContact CZ-CB 4.17Å; F825-L835 HydrophobicContact CZ-CD1 4.45Å; F825-L835 HydrophobicContact CZ-CD2 3.97Å; F825-L835 HydrophobicContact CZ-CG 4.43Å; L831-L835 PolarHBondContact O-N 3.08Å; I832-L835 PolarHBondContact O-N 3.42Å; L835-D837 VanDerWaalsContact C-N 3.34Å; L835-L843 HydrophobicContact CD1-CD1 4.02Å; L835-L893 HydrophobicContact CD1-CB 4.03Å; L835-L893 HydrophobicContact CD1-CD2 4.21Å; L835-L896 HydrophobicContact CD2-CB 4.21Å; L835-L896 HydrophobicContact CD2-CD2 4.08Å; L835-L896 HydrophobicContact CD2-CG 4.08Å; L835-R897 HydrophobicContact CD1-CB 4.07Å; L835-R897 HydrophobicContact CD2-CB 4.26Å; L835-R897 HydrophobicContact CG-CB 3.84Å; L835-R897 HydrophobicContact CG-CG 4.34Å; L835-R897 WeakPolarHBondContact O-CD 3.24Å; L835-R897 WeakPolarHBondContact O-CG 3.34Å; L835-Y900 HydrophobicContact CD2-CD2 4.23Å
836C78.1Confident79.7Confident26 Ų2644.7 Ų44.718%0.17625%0.247CC..THydrogen-bonded Turntrans-93.523.3-178.8-66.90000113.6I832 Q838I832-C836 VanDerWaalsContact O-CB 3.27Å; I832-C836 WeakPolarHBondContact O-CB 3.49Å; I832-C836 PolarHBondContact O-N 2.93Å; C836-Q838 PolarHBondContact O-N 2.84Å
837D69.8Low78.3Confident60 Ų6047 Ų4732%0.32126%0.261SS..  trans-45.3132.6175-179.18.9000111G833 L835 R839 C840G833-D837 PolarHBondContact O-N 2.94Å; L835-D837 VanDerWaalsContact C-N 3.34Å; D837-R839 PolarHBondContact O-N 3.4Å; D837-R839 VanDerWaalsContact O-N 3.1Å; D837-R839 PolarHBondContact OD1-N 3.45Å; D837-C840 PolarHBondContact O-N 2.78Å; D837-C840 PolarHBondContact O-SG 2.67Å
838Q59.4Low76.7Confident123 Ų12348.4 Ų48.458%0.57527%0.271SS*.THydrogen-bonded Turntrans-57.3-28.1-176.3-63.6-170.7-2.900112.4C836 C840C836-Q838 PolarHBondContact O-N 2.84Å; Q838-C840 PolarHBondContact O-N 2.81Å; Q838-C840 PolarHBondContact O-SG 3.42Å
839R64.9Low75.1Confident142 Ų14255 Ų5554%0.53631%0.306SS..THydrogen-bonded Turntrans-70-14177.3-64.9175178.7176.35.6113.9S724 D837 P841S724-R839 WeakPolarHBondContact CB-O 3.23Å; S724-R839 PolarHBondContact OG-O 2.74Å; D837-R839 PolarHBondContact O-N 3.4Å; D837-R839 VanDerWaalsContact O-N 3.1Å; D837-R839 PolarHBondContact OD1-N 3.45Å; R839-P841 VanDerWaalsContact C-CD 3.48Å
840C74.4Confident73.8Confident7 Ų759.2 Ų59.25%0.04732%0.316CS..  trans43.250.6174.7-550000115.4F723 S724 D837 Q838 R901F723-C840 CarbonylContact C-O 3.55Å; F723-C840 VanDerWaalsContact CA-O 3.25Å; F723-C840 WeakPolarHBondContact CA-O 3.26Å; F723-C840 WeakPolarHBondContact CB-O 3.2Å; S724-C840 PolarHBondContact N-O 3.4Å; D837-C840 PolarHBondContact O-N 2.78Å; D837-C840 PolarHBondContact O-SG 2.67Å; Q838-C840 PolarHBondContact O-N 2.81Å; Q838-C840 PolarHBondContact O-SG 3.42Å; C840-R901 VanDerWaalsContact SG-CZ 3.53Å; C840-R901 PolarHBondContact SG-NH1 2.57Å; C840-R901 PolarHBondContact SG-NH2 2.99Å; C840-R901 VanDerWaalsContact SG-NH2 3.39Å
841P84.1Confident72.9Confident8 Ų856.8 Ų56.85%0.05231%0.306CS..PPolyproline II helixtrans-66.8160.8-176.928.3-33.6000112.4K726 E728 R839 L843 R897K726-P841 HydrophobicContact CB-CB 4.24Å; K726-P841 WeakPolarHBondContact O-CA 3.39Å; E728-P841 HydrophobicContact CB-CB 3.87Å; E728-P841 HydrophobicContact CB-CG 3.89Å; E728-P841 WeakPolarHBondContact OE2-CG 3.2Å; R839-P841 VanDerWaalsContact C-CD 3.48Å; P841-L843 HydrophobicContact CG-CD2 4.34Å; P841-L843 PolarHBondContact O-N 2.85Å; P841-R897 PolarHBondContact O-NH1 2.86Å; P841-R897 PolarHBondContact O-NH2 3.31Å
842V86Confident72.1Confident0 Ų059.7 Ų59.70%033%0.327CS..EExtended strand (participates in β ladder)trans-75.4117.1167.1175.50000108.6F723 K726 V727 E728 V844 A867 V871 M894F723-V842 HydrophobicContact CB-CG2 3.97Å; F723-V842 HydrophobicContact CD2-CG2 4.01Å; F723-V842 HydrophobicContact CG-CG2 4.03Å; K726-V842 PolarHBondContact O-N 3.09Å; V727-V842 WeakPolarHBondContact CA-O 3.41Å; V727-V842 HydrophobicContact CG2-CB 4.42Å; E728-V842 PolarHBondContact N-O 3.3Å; V842-V844 HydrophobicContact CG1-CG2 4.16Å; V842-A867 HydrophobicContact CG2-CB 3.82Å; V842-V871 HydrophobicContact CB-CG2 4.44Å; V842-V871 HydrophobicContact CG1-CG2 3.81Å; V842-V871 HydrophobicContact CG2-CG2 3.68Å; V842-M894 HydrophobicContact CG1-SD 4.31Å
843L88.3Confident71.4Confident3 Ų361.7 Ų61.72%0.01634%0.338CS..EExtended strand (participates in β ladder)trans-83.6120.5-176.8-60.8179.6000110.5E728 I730 L737 L835 P841 N887 G890 L893 M894E728-L843 HydrophobicContact CB-CD2 4.21Å; I730-L843 HydrophobicContact CD1-CB 4.12Å; L737-L843 HydrophobicContact CD1-CD1 4.34Å; L737-L843 HydrophobicContact CD1-CD2 3.91Å; L835-L843 HydrophobicContact CD1-CD1 4.02Å; P841-L843 HydrophobicContact CG-CD2 4.34Å; P841-L843 PolarHBondContact O-N 2.85Å; L843-N887 PolarHBondContact O-ND2 3.27Å; L843-G890 WeakPolarHBondContact O-CA 3.27Å; L843-L893 HydrophobicContact CD1-CB 3.62Å; L843-L893 HydrophobicContact CD1-CD1 4.22Å; L843-M894 HydrophobicContact CB-CG 4.09Å; L843-M894 HydrophobicContact CB-SD 4.43Å; L843-M894 HydrophobicContact CD1-CG 4.1Å; L843-M894 HydrophobicContact CG-CG 4.09Å
844V86Confident71.2Confident4 Ų466.3 Ų66.32%0.02435%0.347CS..EExtended strand (participates in β ladder)trans-122.3115.4-178.2-1800000110.2V727 E728 L729 I730 V842 I846 F856 F874V727-V844 HydrophobicContact CG1-CB 4.14Å; V727-V844 HydrophobicContact CG1-CG2 3.54Å; E728-V844 PolarHBondContact O-N 3.46Å; L729-V844 CarbonylContact C-O 3.56Å; L729-V844 WeakPolarHBondContact CA-O 3.16Å; L729-V844 HydrophobicContact CD2-CB 3.84Å; L729-V844 HydrophobicContact CD2-CG1 3.98Å; I730-V844 PolarHBondContact N-O 3.36Å; V842-V844 HydrophobicContact CG1-CG2 4.16Å; V844-I846 HydrophobicContact CG1-CG1 4.01Å; V844-F856 HydrophobicContact CG1-CZ 4.43Å; V844-F874 HydrophobicContact CG1-CZ 4.32Å; V844-F874 HydrophobicContact CG2-CE2 3.95Å; V844-F874 HydrophobicContact CG2-CZ 4.41Å
845S81.1Confident70.7Confident37 Ų3765.8 Ų65.826%0.25935%0.349SS..EExtended strand (participates in β ladder)trans-88.5117.2172.7-172.50000109.7N887S845-N887 PolarHBondContact N-OD1 3.24Å
846I68.4Low70.5Confident27 Ų2766.1 Ų66.114%0.13835%0.35CS..  trans-106.2116.2174-56.5-173.8000107.6L729 V844 F856L729-I846 HydrophobicContact CD1-CD1 3.88Å; L729-I846 HydrophobicContact CD2-CD1 3.58Å; L729-I846 HydrophobicContact CD2-CG1 4.04Å; L729-I846 HydrophobicContact CG-CD1 4.33Å; V844-I846 HydrophobicContact CG1-CG1 4.01Å; I846-F856 HydrophobicContact CD1-CD2 3.89Å; I846-F856 HydrophobicContact CD1-CE2 4.28Å; I846-F856 HydrophobicContact CD1-CG 4.24Å
847P54Low70.6Confident114 Ų11469 Ų6974%0.7436%0.361SS*.  trans-73.6132.9168.629.3-27.9000108.7
848D55.1Low71Confident102 Ų10268.6 Ų68.655%0.54537%0.366SS..SBendtrans82.9138.1-177.8-70.6-15.4000118.1K850D848-K850 HydrophobicContact CB-CB 4.41Å; D848-K850 HydrophobicContact CB-CD 4.18Å; D848-K850 HydrophobicContact CB-CG 4.13Å; D848-K850 PolarHBondContact O-N 2.75Å; D848-K850 IonicContact OD2-NZ 2.61Å; D848-K850 PolarHBondContact OD2-NZ 3.43Å
849D52.6Low72.2Confident159 Ų15966.2 Ų66.285%0.8535%0.352SS*.THydrogen-bonded Turntrans-58.911.5170.3-66.2-30.4000115.2
850K54.3Low73.2Confident169 Ų16960.3 Ų60.374%0.73533%0.331SS*.THydrogen-bonded Turntrans-82.1-23.4-172.3-72.3174.1-176.71410113.8D848D848-K850 HydrophobicContact CB-CB 4.41Å; D848-K850 HydrophobicContact CB-CD 4.18Å; D848-K850 HydrophobicContact CB-CG 4.13Å; D848-K850 PolarHBondContact O-N 2.75Å; D848-K850 IonicContact OD2-NZ 2.61Å; D848-K850 PolarHBondContact OD2-NZ 3.43Å
851I62.5Low73.6Confident70 Ų7067.7 Ų67.736%0.35936%0.364SS..SBendtrans-121.9103.8-177.7-53.7178.3000108.3Q731 A855 F856Q731-I851 PolarHBondContact NE2-O 3.09Å; I851-A855 HydrophobicContact CG2-CB 4.14Å; I851-F856 HydrophobicContact CG2-CB 3.94Å; I851-F856 HydrophobicContact CG2-CD2 4.43Å
852S66.6Low73.6Confident65 Ų6574.9 Ų74.946%0.45540%0.395SS..  trans-64.7153.6171.961.80000110.7M854 A855 F856S852-M854 PolarHBondContact O-N 2.79Å; S852-A855 WeakPolarHBondContact O-CB 3.26Å; S852-A855 PolarHBondContact O-N 3.39Å; S852-A855 WeakPolarHBondContact OG-CB 3.45Å; S852-A855 PolarHBondContact OG-N 3.25Å; S852-F856 PolarHBondContact O-N 2.91Å; S852-F856 VanDerWaalsContact O-N 3.11Å
853N68.9Low73.6Confident64 Ų6482.9 Ų82.934%0.34243%0.425SS..Hα-helixtrans-53.2-44177.5-16619.5000112.3L729 A855 F856 E857L729-N853 HydrophobicContact CD1-CB 3.87Å; L729-N853 VanDerWaalsContact CD1-OD1 3.24Å; L729-N853 WeakPolarHBondContact CD1-OD1 3.19Å; L729-N853 WeakPolarHBondContact CG-OD1 3.24Å; N853-A855 VanDerWaalsContact C-N 3.32Å; N853-A855 PolarHBondContact O-N 3.19Å; N853-F856 PolarHBondContact O-N 2.93Å; N853-E857 WeakPolarHBondContact O-CG 3.11Å; N853-E857 PolarHBondContact O-N 3.31Å
854M72.5Confident73.3Confident150 Ų15086 Ų8674%0.73946%0.458SS*.Hα-helixtrans-57.4-39.4173.5-82.1-172.2-90.800113.8S852 A858S852-M854 PolarHBondContact O-N 2.79Å; M854-A858 WeakPolarHBondContact O-CB 3.13Å; M854-A858 PolarHBondContact O-N 2.82Å
855A74.2Confident73.2Confident48 Ų4886.7 Ų86.740%0.39746%0.462SS..Hα-helixtrans-70.3-37.1179.900000112.1I851 S852 N853 W859I851-A855 HydrophobicContact CG2-CB 4.14Å; S852-A855 WeakPolarHBondContact O-CB 3.26Å; S852-A855 PolarHBondContact O-N 3.39Å; S852-A855 WeakPolarHBondContact OG-CB 3.45Å; S852-A855 PolarHBondContact OG-N 3.25Å; N853-A855 VanDerWaalsContact C-N 3.32Å; N853-A855 PolarHBondContact O-N 3.19Å; A855-W859 WeakPolarHBondContact O-CB 3.28Å; A855-W859 PolarHBondContact O-N 3Å
856F80Confident73.3Confident11 Ų1186.5 Ų86.55%0.04847%0.465CS..Hα-helixtrans-68.9-46.9176.4-168.5-99.8000111.7V727 L729 V844 I846 I851 S852 N853 A858 W859 M860 L870 L884V727-F856 HydrophobicContact CG1-CE1 4.07Å; L729-F856 HydrophobicContact CD1-CB 4.1Å; L729-F856 HydrophobicContact CD1-CG 4.47Å; L729-F856 HydrophobicContact CD2-CD1 3.95Å; L729-F856 HydrophobicContact CD2-CE1 4.24Å; L729-F856 HydrophobicContact CD2-CG 4.32Å; V844-F856 HydrophobicContact CG1-CZ 4.43Å; I846-F856 HydrophobicContact CD1-CD2 3.89Å; I846-F856 HydrophobicContact CD1-CE2 4.28Å; I846-F856 HydrophobicContact CD1-CG 4.24Å; I851-F856 HydrophobicContact CG2-CB 3.94Å; I851-F856 HydrophobicContact CG2-CD2 4.43Å; S852-F856 PolarHBondContact O-N 2.91Å; S852-F856 VanDerWaalsContact O-N 3.11Å; N853-F856 PolarHBondContact O-N 2.93Å; F856-A858 PolarHBondContact O-N 3.45Å; F856-W859 HydrophobicContact CE2-CE3 4.48Å; F856-W859 WeakPolarHBondContact O-CB 3.32Å; F856-W859 PolarHBondContact O-N 3.03Å; F856-M860 HydrophobicContact CD1-CG 4.35Å; F856-M860 HydrophobicContact CD1-SD 3.91Å; F856-M860 HydrophobicContact CE1-CG 4.1Å; F856-M860 HydrophobicContact CE1-SD 3.53Å; F856-M860 VanDerWaalsContact CE1-SD 3.53Å; F856-M860 HydrophobicContact CZ-SD 4.43Å; F856-M860 PolarHBondContact O-N 3.34Å; F856-L870 HydrophobicContact CE1-CD1 4.13Å; F856-L870 HydrophobicContact CZ-CD1 4.24Å; F856-L870 HydrophobicContact CZ-CD2 4.38Å; F856-L884 HydrophobicContact CE2-CD2 3.55Å; F856-L884 HydrophobicContact CZ-CD2 3.89Å
857E78.7Confident74Confident86 Ų8685.2 Ų85.240%0.40246%0.459SS..Hα-helixtrans-61.5-43.4175.9-71.5177.816900111.9N853 W859 M860 Q861N853-E857 WeakPolarHBondContact O-CG 3.11Å; N853-E857 PolarHBondContact O-N 3.31Å; E857-W859 VanDerWaalsContact C-N 3.3Å; E857-W859 PolarHBondContact O-N 3.47Å; E857-M860 PolarHBondContact O-N 2.9Å; E857-Q861 WeakPolarHBondContact O-CG 3.49Å; E857-Q861 PolarHBondContact O-N 3.22Å
858A79.7Confident75.2Confident52 Ų5282.8 Ų82.843%0.4345%0.448SS..Hα-helixtrans-63.2-36.4175.400000112.3M854 F856 K862M854-A858 WeakPolarHBondContact O-CB 3.13Å; M854-A858 PolarHBondContact O-N 2.82Å; F856-A858 PolarHBondContact O-N 3.45Å; A858-K862 WeakPolarHBondContact O-CB 3.45Å; A858-K862 PolarHBondContact O-N 3.42Å
859W83.6Confident76.6Confident72 Ų7280.4 Ų80.427%0.27344%0.438SS..Hα-helixtrans-65.7-44.2174177.285.9000111.6A855 F856 E857 K862 W863 I865 W873 L884A855-W859 WeakPolarHBondContact O-CB 3.28Å; A855-W859 PolarHBondContact O-N 3Å; F856-W859 HydrophobicContact CE2-CE3 4.48Å; F856-W859 WeakPolarHBondContact O-CB 3.32Å; F856-W859 PolarHBondContact O-N 3.03Å; E857-W859 VanDerWaalsContact C-N 3.3Å; E857-W859 PolarHBondContact O-N 3.47Å; W859-K862 PolarHBondContact O-N 2.89Å; W859-W863 AromaticContact CD1-CD1 3.62Å; W859-W863 AromaticContact CD1-NE1 3.64Å; W859-W863 AromaticContact CE2-CD1 3.89Å; W859-W863 AromaticContact NE1-CD1 3.47Å; W859-W863 AromaticContact NE1-NE1 3.49Å; W859-W863 PolarHBondContact O-N 3.44Å; W859-I865 HydrophobicContact CD2-CD1 4.36Å; W859-I865 HydrophobicContact CE3-CD1 3.98Å; W859-I865 HydrophobicContact CH2-CD1 3.3Å; W859-I865 HydrophobicContact CZ2-CD1 3.73Å; W859-I865 HydrophobicContact CZ3-CD1 3.44Å; W859-I865 VanDerWaalsContact CZ3-CD1 3.44Å; W859-W873 HydrophobicContact CH2-CH2 4.43Å; W859-W873 AromaticContact CH2-CZ3 3.86Å; W859-W873 HydrophobicContact CH2-CZ3 3.86Å; W859-W873 HydrophobicContact CZ3-CZ3 4.47Å; W859-L884 HydrophobicContact CH2-CD1 3.56Å; W859-L884 HydrophobicContact CH2-CD2 4.23Å; W859-L884 HydrophobicContact CH2-CG 4.05Å; W859-L884 HydrophobicContact CZ3-CD1 4.07Å; W859-L884 HydrophobicContact CZ3-CD2 4.09Å; W859-L884 HydrophobicContact CZ3-CG 4.42Å
860M85.8Confident78.1Confident19 Ų1972.9 Ų72.99%0.09440%0.397CS..Hα-helixtrans-60.1-47.9175.1-73.1-178.165.300111.9V727 F856 E857 W863 G864 I865 L870V727-M860 HydrophobicContact CB-SD 4.42Å; V727-M860 HydrophobicContact CG2-CE 3.71Å; V727-M860 HydrophobicContact CG2-SD 3.92Å; F856-M860 HydrophobicContact CD1-CG 4.35Å; F856-M860 HydrophobicContact CD1-SD 3.91Å; F856-M860 HydrophobicContact CE1-CG 4.1Å; F856-M860 HydrophobicContact CE1-SD 3.53Å; F856-M860 VanDerWaalsContact CE1-SD 3.53Å; F856-M860 HydrophobicContact CZ-SD 4.43Å; F856-M860 PolarHBondContact O-N 3.34Å; E857-M860 PolarHBondContact O-N 2.9Å; M860-W863 PolarHBondContact O-N 3.43Å; M860-G864 PolarHBondContact O-N 2.71Å; M860-I865 HydrophobicContact CB-CB 4.42Å; M860-I865 WeakPolarHBondContact CE-O 3.15Å; M860-I865 HydrophobicContact CG-CB 4.46Å; M860-I865 PolarHBondContact O-N 3.2Å; M860-L870 HydrophobicContact CE-CD1 3.65Å; M860-L870 HydrophobicContact CE-CG 4.38Å; M860-L870 HydrophobicContact SD-CD1 3.73Å
861Q83.5Confident79.5Confident161 Ų16165.1 Ų65.175%0.75236%0.364SS*.Hα-helixtrans-61.5-45.7177.9-74.9-178.4-2.100112.1E857 W863 G864E857-Q861 WeakPolarHBondContact O-CG 3.49Å; E857-Q861 PolarHBondContact O-N 3.22Å; Q861-W863 PolarHBondContact O-N 3.03Å; Q861-G864 PolarHBondContact O-N 3.07Å
862K84.4Confident80.4Confident160 Ų16068.1 Ų68.170%0.69637%0.371SS*.Hα-helixtrans-56.4-35.6179.8177.8177.4178.8176.80112.9A858 W859A858-K862 WeakPolarHBondContact O-CB 3.45Å; A858-K862 PolarHBondContact O-N 3.42Å; W859-K862 PolarHBondContact O-N 2.89Å
863W84.6Confident81.2Confident167 Ų16767.3 Ų67.363%0.63336%0.358SS*.Hα-helixtrans-105.52.1-175.9-64.3111.4000113.9W859 M860 Q861 I865W859-W863 AromaticContact CD1-CD1 3.62Å; W859-W863 AromaticContact CD1-NE1 3.64Å; W859-W863 AromaticContact CE2-CD1 3.89Å; W859-W863 AromaticContact NE1-CD1 3.47Å; W859-W863 AromaticContact NE1-NE1 3.49Å; W859-W863 PolarHBondContact O-N 3.44Å; M860-W863 PolarHBondContact O-N 3.43Å; Q861-W863 PolarHBondContact O-N 3.03Å; W863-I865 VanDerWaalsContact C-N 3.31Å; W863-I865 HydrophobicContact CB-CD1 3.65Å; W863-I865 HydrophobicContact CB-CG1 3.79Å; W863-I865 HydrophobicContact CG-CD1 4.42Å; W863-I865 PolarHBondContact O-N 3.12Å
864G82.5Confident81.8Confident69 Ų6964.7 Ų64.771%0.71134%0.343SS*.THydrogen-bonded Turntrans63.435.2-178.100000113.3M860 Q861M860-G864 PolarHBondContact O-N 2.71Å; Q861-G864 PolarHBondContact O-N 3.07Å
865I83.6Confident81.9Confident19 Ų1958.5 Ų58.510%0.09731%0.314CS..  trans-89.1117.4-178.4-59.1166.6000108.3W859 M860 W863 T869 L870 W873W859-I865 HydrophobicContact CD2-CD1 4.36Å; W859-I865 HydrophobicContact CE3-CD1 3.98Å; W859-I865 HydrophobicContact CH2-CD1 3.3Å; W859-I865 HydrophobicContact CZ2-CD1 3.73Å; W859-I865 HydrophobicContact CZ3-CD1 3.44Å; W859-I865 VanDerWaalsContact CZ3-CD1 3.44Å; M860-I865 HydrophobicContact CB-CB 4.42Å; M860-I865 WeakPolarHBondContact CE-O 3.15Å; M860-I865 HydrophobicContact CG-CB 4.46Å; M860-I865 PolarHBondContact O-N 3.2Å; W863-I865 VanDerWaalsContact C-N 3.31Å; W863-I865 HydrophobicContact CB-CD1 3.65Å; W863-I865 HydrophobicContact CB-CG1 3.79Å; W863-I865 HydrophobicContact CG-CD1 4.42Å; W863-I865 PolarHBondContact O-N 3.12Å; I865-T869 HydrophobicContact CG2-CG2 4.15Å; I865-L870 HydrophobicContact CG2-CD2 4.03Å; I865-L870 HydrophobicContact CG2-CG 4.05Å; I865-W873 HydrophobicContact CD1-CH2 3.65Å; I865-W873 HydrophobicContact CD1-CZ3 3.88Å; I865-W873 HydrophobicContact CG1-CH2 3.95Å; I865-W873 HydrophobicContact CG1-CZ3 4.38Å; I865-W873 HydrophobicContact CG2-CH2 4.14Å; I865-W873 HydrophobicContact CG2-CZ3 3.9Å
866G83.8Confident82Confident32 Ų3259.2 Ų59.233%0.3331%0.309SS..  trans-92.6169.2174.900000113.2A868 T869 L870G866-A868 VanDerWaalsContact C-N 3.32Å; G866-A868 PolarHBondContact O-N 2.93Å; G866-T869 WeakPolarHBondContact O-CB 3.49Å; G866-T869 PolarHBondContact O-N 3.49Å; G866-L870 PolarHBondContact O-N 3.39Å
867A82.7Confident81.4Confident1 Ų162.9 Ų62.91%0.00833%0.334CS..Hα-helixtrans-57.8-41.6178.300000112.8V727 V842 T869 L870 V871V727-A867 HydrophobicContact CG2-CB 4.27Å; V842-A867 HydrophobicContact CG2-CB 3.82Å; A867-T869 VanDerWaalsContact C-N 3.27Å; A867-T869 PolarHBondContact O-N 2.84Å; A867-L870 WeakPolarHBondContact O-CB 3.13Å; A867-L870 PolarHBondContact O-N 3.4Å; A867-L870 VanDerWaalsContact O-N 3.17Å; A867-V871 PolarHBondContact O-N 2.93Å
868A80.4Confident81.1Confident62 Ų6266.7 Ų66.751%0.51236%0.357SS..Hα-helixtrans-60.7-35.2175.200000113G866 R872G866-A868 VanDerWaalsContact C-N 3.32Å; G866-A868 PolarHBondContact O-N 2.93Å; A868-R872 WeakPolarHBondContact O-CB 3.47Å; A868-R872 PolarHBondContact O-N 2.76Å; A868-R872 VanDerWaalsContact O-N 3.08Å
869T84.2Confident80.8Confident53 Ų5368.3 Ų68.333%0.32536%0.358SS..Hα-helixtrans-67.1-41.3176-50.20000111.3I865 G866 A867 R872 W873I865-T869 HydrophobicContact CG2-CG2 4.15Å; G866-T869 WeakPolarHBondContact O-CB 3.49Å; G866-T869 PolarHBondContact O-N 3.49Å; A867-T869 VanDerWaalsContact C-N 3.27Å; A867-T869 PolarHBondContact O-N 2.84Å; T869-R872 PolarHBondContact O-N 3.46Å; T869-W873 HydrophobicContact CG2-CD2 4.14Å; T869-W873 HydrophobicContact CG2-CH2 4.23Å; T869-W873 HydrophobicContact CG2-CZ2 3.78Å; T869-W873 VanDerWaalsContact O-CG 3.31Å; T869-W873 PolarHBondContact O-N 3.1Å
870L84.7Confident80.4Confident0 Ų066 Ų660%035%0.352CS..Hα-helixtrans-63.6-46.8176.2-70.9176.3000112.1V727 F856 M860 I865 G866 A867 R872 W873 F874 L884V727-L870 HydrophobicContact CG1-CD1 4.37Å; V727-L870 HydrophobicContact CG2-CD1 3.68Å; F856-L870 HydrophobicContact CE1-CD1 4.13Å; F856-L870 HydrophobicContact CZ-CD1 4.24Å; F856-L870 HydrophobicContact CZ-CD2 4.38Å; M860-L870 HydrophobicContact CE-CD1 3.65Å; M860-L870 HydrophobicContact CE-CG 4.38Å; M860-L870 HydrophobicContact SD-CD1 3.73Å; I865-L870 HydrophobicContact CG2-CD2 4.03Å; I865-L870 HydrophobicContact CG2-CG 4.05Å; G866-L870 PolarHBondContact O-N 3.39Å; A867-L870 WeakPolarHBondContact O-CB 3.13Å; A867-L870 PolarHBondContact O-N 3.4Å; A867-L870 VanDerWaalsContact O-N 3.17Å; L870-R872 VanDerWaalsContact C-N 3.31Å; L870-R872 PolarHBondContact O-N 3.03Å; L870-W873 HydrophobicContact CD2-CE3 4.02Å; L870-W873 HydrophobicContact CD2-CZ3 4.24Å; L870-W873 PolarHBondContact O-N 3.5Å; L870-W873 VanDerWaalsContact O-N 3.15Å; L870-F874 HydrophobicContact CB-CD2 4.44Å; L870-F874 HydrophobicContact CB-CE2 4Å; L870-F874 WeakPolarHBondContact O-CD2 3.4Å; L870-F874 VanDerWaalsContact O-CG 3.31Å; L870-F874 WeakPolarHBondContact O-CG 3.34Å; L870-F874 PolarHBondContact O-N 3.44Å; L870-L884 HydrophobicContact CD2-CD1 4.18Å; L870-L884 HydrophobicContact CD2-CD2 4.42Å
871V81.8Confident79.8Confident6 Ų666.9 Ų66.94%0.03636%0.36CS..Hα-helixtrans-58-47.5177.5174.30000110.2F723 V842 A867 W873 F874 T875F723-V871 HydrophobicContact CD2-CG2 4.36Å; F723-V871 HydrophobicContact CE1-CG1 4.17Å; F723-V871 HydrophobicContact CE1-CG2 4.25Å; F723-V871 HydrophobicContact CE2-CB 4.42Å; F723-V871 HydrophobicContact CE2-CG2 3.99Å; F723-V871 HydrophobicContact CZ-CB 4.15Å; F723-V871 HydrophobicContact CZ-CG1 3.87Å; F723-V871 HydrophobicContact CZ-CG2 3.95Å; V842-V871 HydrophobicContact CB-CG2 4.44Å; V842-V871 HydrophobicContact CG1-CG2 3.81Å; V842-V871 HydrophobicContact CG2-CG2 3.68Å; A867-V871 PolarHBondContact O-N 2.93Å; V871-W873 VanDerWaalsContact C-N 3.31Å; V871-W873 PolarHBondContact O-N 2.83Å; V871-F874 PolarHBondContact O-N 2.91Å; V871-F874 VanDerWaalsContact O-N 3.1Å; V871-T875 HydrophobicContact CG1-CG2 4.3Å; V871-T875 WeakPolarHBondContact O-CG2 3.25Å; V871-T875 PolarHBondContact O-N 3.4Å; V871-T875 PolarHBondContact O-OG1 2.8Å; V871-T875 VanDerWaalsContact O-OG1 3.07Å
872R81.2Confident79.1Confident134 Ų13471.4 Ų71.451%0.50637%0.37SS..Hα-helixtrans-58.6-41.3176.4-175.9177.9172.4-174.60112.5A868 T869 L870 T875 E876A868-R872 WeakPolarHBondContact O-CB 3.47Å; A868-R872 PolarHBondContact O-N 2.76Å; A868-R872 VanDerWaalsContact O-N 3.08Å; T869-R872 PolarHBondContact O-N 3.46Å; L870-R872 VanDerWaalsContact C-N 3.31Å; L870-R872 PolarHBondContact O-N 3.03Å; R872-T875 WeakPolarHBondContact CA-OG1 3.36Å; R872-T875 PolarHBondContact O-OG1 3.34Å; R872-E876 HydrophobicContact CG-CG 4.43Å; R872-E876 VanDerWaalsContact CG-OE2 3.3Å; R872-E876 WeakPolarHBondContact CG-OE2 3.49Å; R872-E876 IonicContact CZ-OE2 3.37Å; R872-E876 IonicContact NE-OE2 2.73Å; R872-E876 PolarHBondContact NE-OE2 2.71Å; R872-E876 IonicContact NH2-OE2 2.85Å; R872-E876 VanDerWaalsContact O-CB 3.25Å; R872-E876 WeakPolarHBondContact O-CB 3.37Å; R872-E876 PolarHBondContact O-N 2.91Å
873W84Confident78.1Confident47 Ų4768.9 Ų68.918%0.17837%0.371CS..Hα-helixtrans-65.1-39.6175-72.7-11.4000112.5W859 I865 T869 L870 V871 E876 C880 P881 L884W859-W873 HydrophobicContact CH2-CH2 4.43Å; W859-W873 AromaticContact CH2-CZ3 3.86Å; W859-W873 HydrophobicContact CH2-CZ3 3.86Å; W859-W873 HydrophobicContact CZ3-CZ3 4.47Å; I865-W873 HydrophobicContact CD1-CH2 3.65Å; I865-W873 HydrophobicContact CD1-CZ3 3.88Å; I865-W873 HydrophobicContact CG1-CH2 3.95Å; I865-W873 HydrophobicContact CG1-CZ3 4.38Å; I865-W873 HydrophobicContact CG2-CH2 4.14Å; I865-W873 HydrophobicContact CG2-CZ3 3.9Å; T869-W873 HydrophobicContact CG2-CD2 4.14Å; T869-W873 HydrophobicContact CG2-CH2 4.23Å; T869-W873 HydrophobicContact CG2-CZ2 3.78Å; T869-W873 VanDerWaalsContact O-CG 3.31Å; T869-W873 PolarHBondContact O-N 3.1Å; L870-W873 HydrophobicContact CD2-CE3 4.02Å; L870-W873 HydrophobicContact CD2-CZ3 4.24Å; L870-W873 PolarHBondContact O-N 3.5Å; L870-W873 VanDerWaalsContact O-N 3.15Å; V871-W873 VanDerWaalsContact C-N 3.31Å; V871-W873 PolarHBondContact O-N 2.83Å; W873-E876 CarbonylContact O-C 3.47Å; W873-C880 HydrophobicContact CB-CB 4.08Å; W873-C880 WeakPolarHBondContact O-CB 3.33Å; W873-P881 HydrophobicContact CD2-CG 4.31Å; W873-P881 HydrophobicContact CE3-CG 4.03Å; W873-P881 HydrophobicContact CH2-CG 3.91Å; W873-P881 HydrophobicContact CZ2-CG 4.2Å; W873-P881 HydrophobicContact CZ3-CG 3.84Å; W873-L884 HydrophobicContact CE3-CD1 3.41Å; W873-L884 VanDerWaalsContact CE3-CD1 3.41Å; W873-L884 HydrophobicContact CZ3-CD1 3.51Å
874F82.2Confident77.3Confident10 Ų1062.4 Ų62.44%0.04435%0.349CS..Hα-helixtrans-72.4-30.2178.4-61.1-42.7000113.3V844 L870 V871 L884 N887 L891V844-F874 HydrophobicContact CG1-CZ 4.32Å; V844-F874 HydrophobicContact CG2-CE2 3.95Å; V844-F874 HydrophobicContact CG2-CZ 4.41Å; L870-F874 HydrophobicContact CB-CD2 4.44Å; L870-F874 HydrophobicContact CB-CE2 4Å; L870-F874 WeakPolarHBondContact O-CD2 3.4Å; L870-F874 VanDerWaalsContact O-CG 3.31Å; L870-F874 WeakPolarHBondContact O-CG 3.34Å; L870-F874 PolarHBondContact O-N 3.44Å; V871-F874 PolarHBondContact O-N 2.91Å; V871-F874 VanDerWaalsContact O-N 3.1Å; F874-L884 HydrophobicContact CE1-CB 4.36Å; F874-N887 HydrophobicContact CD1-CB 3.52Å; F874-N887 HydrophobicContact CD2-CB 3.84Å; F874-N887 WeakPolarHBondContact CD2-ND2 3.47Å; F874-N887 HydrophobicContact CE1-CB 3.49Å; F874-N887 VanDerWaalsContact CE1-CB 3.49Å; F874-N887 HydrophobicContact CE2-CB 3.81Å; F874-N887 WeakPolarHBondContact CE2-ND2 3.29Å; F874-N887 HydrophobicContact CG-CB 3.71Å; F874-N887 HydrophobicContact CZ-CB 3.64Å; F874-L891 HydrophobicContact CB-CD1 4.12Å; F874-L891 HydrophobicContact CB-CD2 3.99Å; F874-L891 HydrophobicContact CB-CG 4.35Å
875T74.5Confident76.8Confident20 Ų2061.1 Ų61.112%0.12334%0.336CS..Hα-helixtrans-84.7-24.7174.856.50000113.5L718 V871 R872 P877L718-T875 HydrophobicContact CB-CG2 4.17Å; L718-T875 HydrophobicContact CD1-CG2 3.94Å; V871-T875 HydrophobicContact CG1-CG2 4.3Å; V871-T875 WeakPolarHBondContact O-CG2 3.25Å; V871-T875 PolarHBondContact O-N 3.4Å; V871-T875 PolarHBondContact O-OG1 2.8Å; V871-T875 VanDerWaalsContact O-OG1 3.07Å; R872-T875 WeakPolarHBondContact CA-OG1 3.36Å; R872-T875 PolarHBondContact O-OG1 3.34Å; T875-P877 VanDerWaalsContact O-CD 3.31Å; T875-P877 WeakPolarHBondContact O-CD 3.29Å
876E75.7Confident76.2Confident62 Ų6262.6 Ų62.629%0.2936%0.356SS..  trans-115.281.6176-56.3-172.7128.500110.4R872 W873 N878 L879 C880R872-E876 HydrophobicContact CG-CG 4.43Å; R872-E876 VanDerWaalsContact CG-OE2 3.3Å; R872-E876 WeakPolarHBondContact CG-OE2 3.49Å; R872-E876 IonicContact CZ-OE2 3.37Å; R872-E876 IonicContact NE-OE2 2.73Å; R872-E876 PolarHBondContact NE-OE2 2.71Å; R872-E876 IonicContact NH2-OE2 2.85Å; R872-E876 VanDerWaalsContact O-CB 3.25Å; R872-E876 WeakPolarHBondContact O-CB 3.37Å; R872-E876 PolarHBondContact O-N 2.91Å; W873-E876 CarbonylContact O-C 3.47Å; E876-N878 PolarHBondContact O-N 3.05Å; E876-L879 HydrophobicContact CB-CB 4.41Å; E876-L879 HydrophobicContact CB-CD1 4.21Å; E876-L879 HydrophobicContact CB-CG 4.21Å; E876-L879 PolarHBondContact O-N 3.31Å; E876-L879 WeakPolarHBondContact OE2-CD1 3.5Å; E876-C880 PolarHBondContact O-N 2.61Å
877P67.4Low76.2Confident88 Ų8861.7 Ų61.757%0.57134%0.343SS*.THydrogen-bonded Turntrans-55.8-25-173.8-24.531000114.4T875 L879 C880T875-P877 VanDerWaalsContact O-CD 3.31Å; T875-P877 WeakPolarHBondContact O-CD 3.29Å; P877-L879 VanDerWaalsContact C-N 3.26Å; P877-L879 PolarHBondContact O-N 2.85Å; P877-C880 PolarHBondContact O-N 3.28Å
878N73.3Confident75.9Confident166 Ų16664.9 Ų64.989%0.88837%0.366SS*.THydrogen-bonded Turntrans-70.1-19.7177.9-64-33.4000113.4E876E876-N878 PolarHBondContact O-N 3.05Å
879L73.1Confident76.1Confident86 Ų8662.5 Ų62.545%0.4534%0.343SS..THydrogen-bonded Turntrans-101.8-13.5177.6-59-173.3000112.9E876 P877 P881E876-L879 HydrophobicContact CB-CB 4.41Å; E876-L879 HydrophobicContact CB-CD1 4.21Å; E876-L879 HydrophobicContact CB-CG 4.21Å; E876-L879 PolarHBondContact O-N 3.31Å; E876-L879 WeakPolarHBondContact OE2-CD1 3.5Å; P877-L879 VanDerWaalsContact C-N 3.26Å; P877-L879 PolarHBondContact O-N 2.85Å; L879-P881 WeakPolarHBondContact O-CD 3.41Å
880C74.4Confident76.3Confident23 Ų2360 Ų6016%0.15533%0.328CS..SBendtrans-70.6127.3-178.3-166.20000111.8W873 E876 P877 R882 G885W873-C880 HydrophobicContact CB-CB 4.08Å; W873-C880 WeakPolarHBondContact O-CB 3.33Å; E876-C880 PolarHBondContact O-N 2.61Å; P877-C880 PolarHBondContact O-N 3.28Å; C880-R882 PolarHBondContact O-N 2.7Å; C880-G885 PolarHBondContact SG-O 3.21Å
881P73.7Confident76.3Confident39 Ų3960.2 Ų60.225%0.25333%0.329SS..  trans-54.8129.4167-24.934.7000110.9W873 L879 C883 L884W873-P881 HydrophobicContact CD2-CG 4.31Å; W873-P881 HydrophobicContact CE3-CG 4.03Å; W873-P881 HydrophobicContact CH2-CG 3.91Å; W873-P881 HydrophobicContact CZ2-CG 4.2Å; W873-P881 HydrophobicContact CZ3-CG 3.84Å; L879-P881 WeakPolarHBondContact O-CD 3.41Å; P881-C883 PolarHBondContact O-N 3.45Å; P881-L884 HydrophobicContact CB-CD1 4.25Å; P881-L884 HydrophobicContact CG-CD1 3.99Å; P881-L884 PolarHBondContact O-N 2.98Å
882R68.8Low76.5Confident256 Ų25660.2 Ų60.297%0.96633%0.329SS*.THydrogen-bonded Turntrans-51.8-26.1-177.7-77.1-175.1177-178.8-0.9114.4C880C880-R882 PolarHBondContact O-N 2.7Å
883C63.8Low76.8Confident106 Ų10653.9 Ų53.972%0.71631%0.305SS*.THydrogen-bonded Turntrans-75.1-17.9179.954.10000114.9P881P881-C883 PolarHBondContact O-N 3.45Å
884L67.5Low76.9Confident32 Ų3251.8 Ų51.817%0.16830%0.297CS..THydrogen-bonded Turntrans-89.2-16.2-177.1-84.9166.4000114.1F856 W859 L870 W873 F874 P881F856-L884 HydrophobicContact CE2-CD2 3.55Å; F856-L884 HydrophobicContact CZ-CD2 3.89Å; W859-L884 HydrophobicContact CH2-CD1 3.56Å; W859-L884 HydrophobicContact CH2-CD2 4.23Å; W859-L884 HydrophobicContact CH2-CG 4.05Å; W859-L884 HydrophobicContact CZ3-CD1 4.07Å; W859-L884 HydrophobicContact CZ3-CD2 4.09Å; W859-L884 HydrophobicContact CZ3-CG 4.42Å; L870-L884 HydrophobicContact CD2-CD1 4.18Å; L870-L884 HydrophobicContact CD2-CD2 4.42Å; W873-L884 HydrophobicContact CE3-CD1 3.41Å; W873-L884 VanDerWaalsContact CE3-CD1 3.41Å; W873-L884 HydrophobicContact CZ3-CD1 3.51Å; F874-L884 HydrophobicContact CE1-CB 4.36Å; P881-L884 HydrophobicContact CB-CD1 4.25Å; P881-L884 HydrophobicContact CG-CD1 3.99Å; P881-L884 PolarHBondContact O-N 2.98Å
885G71.2Confident77Confident42 Ų4253.3 Ų53.343%0.43330%0.304SS..  trans66.1-171.1-174.300000113.2C880C880-G885 PolarHBondContact SG-O 3.21Å
886G72Confident77.5Confident50 Ų5052.7 Ų52.752%0.51530%0.3SS..  trans-94.7-8-175.300000115.6S888G886-S888 PolarHBondContact O-N 2.86Å
887N82.6Confident78Confident12 Ų1250 Ų506%0.06429%0.287CS..  trans42.635.8-176.8-170.433.5000115L843 S845 F874 Y889 G890 L891L843-N887 PolarHBondContact O-ND2 3.27Å; S845-N887 PolarHBondContact N-OD1 3.24Å; F874-N887 HydrophobicContact CD1-CB 3.52Å; F874-N887 HydrophobicContact CD2-CB 3.84Å; F874-N887 WeakPolarHBondContact CD2-ND2 3.47Å; F874-N887 HydrophobicContact CE1-CB 3.49Å; F874-N887 VanDerWaalsContact CE1-CB 3.49Å; F874-N887 HydrophobicContact CE2-CB 3.81Å; F874-N887 WeakPolarHBondContact CE2-ND2 3.29Å; F874-N887 HydrophobicContact CG-CB 3.71Å; F874-N887 HydrophobicContact CZ-CB 3.64Å; N887-Y889 PolarHBondContact O-N 3.23Å; N887-G890 PolarHBondContact O-N 2.92Å; N887-G890 VanDerWaalsContact O-N 3.13Å; N887-G890 PolarHBondContact OD1-N 3.07Å; N887-L891 WeakPolarHBondContact O-CG 3.4Å; N887-L891 PolarHBondContact O-N 3.42Å
888S78.3Confident78.5Confident69 Ų6948 Ų4848%0.48327%0.27SS..Hα-helixtrans-57.4-38.7-174.649.70000112.5G886 L891 M892G886-S888 PolarHBondContact O-N 2.86Å; S888-L891 PolarHBondContact O-N 3.05Å; S888-M892 WeakPolarHBondContact O-CG 3.35Å; S888-M892 PolarHBondContact O-N 2.95Å
889Y84.7Confident78.9Confident12 Ų1244.2 Ų44.25%0.04725%0.247CC..Hα-helixtrans-62.9-46.3176.7-177.3-106000113.2I730 L737 I739 Y817 L821 N887 L891 M892 L893I730-Y889 HydrophobicContact CD1-CD1 4.21Å; I730-Y889 HydrophobicContact CD1-CE1 3.97Å; I730-Y889 HydrophobicContact CG2-CE1 4.28Å; L737-Y889 VanDerWaalsContact O-CE1 3.23Å; L737-Y889 WeakPolarHBondContact O-CE1 3.35Å; L737-Y889 VanDerWaalsContact O-CZ 3.29Å; L737-Y889 PolarHBondContact O-OH 3.08Å; I739-Y889 HydrophobicContact CB-CE2 4.44Å; I739-Y889 HydrophobicContact CG2-CD2 3.61Å; I739-Y889 HydrophobicContact CG2-CE1 4.17Å; I739-Y889 HydrophobicContact CG2-CE2 3.02Å; I739-Y889 HydrophobicContact CG2-CG 4.37Å; I739-Y889 PolarHBondContact N-OH 2.97Å; Y817-Y889 HydrophobicContact CD2-CD2 4.24Å; L821-Y889 HydrophobicContact CD1-CD2 4.19Å; L821-Y889 HydrophobicContact CD1-CE2 3.66Å; L821-Y889 HydrophobicContact CD2-CE2 3.85Å; L821-Y889 HydrophobicContact CG-CE2 4.17Å; N887-Y889 PolarHBondContact O-N 3.23Å; Y889-L891 VanDerWaalsContact C-N 3.3Å; Y889-L891 PolarHBondContact O-N 3.44Å; Y889-M892 PolarHBondContact O-N 3.34Å; Y889-L893 HydrophobicContact CD1-CD1 4.02Å; Y889-L893 HydrophobicContact CE1-CD1 3.41Å; Y889-L893 VanDerWaalsContact CE1-CD1 3.41Å; Y889-L893 HydrophobicContact CE1-CG 4.17Å; Y889-L893 PolarHBondContact O-N 3Å; Y889-L893 VanDerWaalsContact O-N 3.08Å
890G86.7Confident79.2Confident0 Ų041.8 Ų41.80%023%0.233CC..Hα-helixtrans-60.8-41.5175.200000111.6L843 N887 M892 L893 M894L843-G890 WeakPolarHBondContact O-CA 3.27Å; N887-G890 PolarHBondContact O-N 2.92Å; N887-G890 VanDerWaalsContact O-N 3.13Å; N887-G890 PolarHBondContact OD1-N 3.07Å; G890-M892 PolarHBondContact O-N 3.41Å; G890-L893 PolarHBondContact O-N 3.23Å; G890-M894 WeakPolarHBondContact O-CE 3.45Å; G890-M894 VanDerWaalsContact O-CG 3.31Å; G890-M894 WeakPolarHBondContact O-CG 3.22Å; G890-M894 PolarHBondContact O-N 3.37Å
891L84.8Confident79.2Confident4 Ų443.2 Ų43.22%0.02124%0.235CC..Hα-helixtrans-60.4-43.7174.8-62.1171000112.1F715 L718 F874 N887 S888 Y889 M894 Q895F715-L891 HydrophobicContact CD1-CB 3.79Å; F715-L891 HydrophobicContact CD1-CD1 4.23Å; F715-L891 HydrophobicContact CE1-CB 3.59Å; F715-L891 HydrophobicContact CE1-CD1 4.42Å; F715-L891 HydrophobicContact CG-CD1 4.28Å; F715-L891 HydrophobicContact CZ-CB 4.3Å; L718-L891 HydrophobicContact CD1-CB 4.17Å; L718-L891 HydrophobicContact CD1-CD2 3.35Å; L718-L891 HydrophobicContact CD1-CG 4.24Å; F874-L891 HydrophobicContact CB-CD1 4.12Å; F874-L891 HydrophobicContact CB-CD2 3.99Å; F874-L891 HydrophobicContact CB-CG 4.35Å; N887-L891 WeakPolarHBondContact O-CG 3.4Å; N887-L891 PolarHBondContact O-N 3.42Å; S888-L891 PolarHBondContact O-N 3.05Å; Y889-L891 VanDerWaalsContact C-N 3.3Å; Y889-L891 PolarHBondContact O-N 3.44Å; L891-M894 HydrophobicContact CB-CE 4.45Å; L891-M894 HydrophobicContact CD2-CE 3.61Å; L891-M894 HydrophobicContact CG-CE 4.3Å; L891-M894 PolarHBondContact O-N 3.18Å; L891-Q895 WeakPolarHBondContact O-CG 3.31Å; L891-Q895 PolarHBondContact O-N 3.36Å
892M85.8Confident79.1Confident7 Ų746.9 Ų46.93%0.03425%0.247CC..Hα-helixtrans-62-43.2177.8-68.5165.270.700112.4F715 S814 D818 L821 S888 Y889 G890 Q895 L896F715-M892 HydrophobicContact CZ-CG 4.41Å; S814-M892 WeakPolarHBondContact O-CE 3.35Å; D818-M892 HydrophobicContact CB-CE 3.58Å; L821-M892 HydrophobicContact CD1-CB 4.36Å; L821-M892 HydrophobicContact CD1-CE 4.13Å; S888-M892 WeakPolarHBondContact O-CG 3.35Å; S888-M892 PolarHBondContact O-N 2.95Å; Y889-M892 PolarHBondContact O-N 3.34Å; G890-M892 PolarHBondContact O-N 3.41Å; M892-Q895 PolarHBondContact O-N 3.1Å; M892-L896 WeakPolarHBondContact O-CB 3.27Å; M892-L896 PolarHBondContact O-N 2.92Å
893L88.7Confident79Confident0 Ų038.5 Ų38.50%023%0.232CC..Hα-helixtrans-63.1-41.7174.8-73.5174.3000111.8I730 L737 L821 F825 L835 L843 Y889 G890 Q895 L896 R897I730-L893 HydrophobicContact CD1-CD1 3.31Å; L737-L893 HydrophobicContact CB-CD1 4.19Å; L821-L893 HydrophobicContact CD1-CD2 4.36Å; L821-L893 HydrophobicContact CD2-CD2 3.99Å; F825-L893 HydrophobicContact CE2-CD2 3.66Å; F825-L893 HydrophobicContact CZ-CD2 3.95Å; L835-L893 HydrophobicContact CD1-CB 4.03Å; L835-L893 HydrophobicContact CD1-CD2 4.21Å; L843-L893 HydrophobicContact CD1-CB 3.62Å; L843-L893 HydrophobicContact CD1-CD1 4.22Å; Y889-L893 HydrophobicContact CD1-CD1 4.02Å; Y889-L893 HydrophobicContact CE1-CD1 3.41Å; Y889-L893 VanDerWaalsContact CE1-CD1 3.41Å; Y889-L893 HydrophobicContact CE1-CG 4.17Å; Y889-L893 PolarHBondContact O-N 3Å; Y889-L893 VanDerWaalsContact O-N 3.08Å; G890-L893 PolarHBondContact O-N 3.23Å; L893-Q895 VanDerWaalsContact C-N 3.31Å; L893-Q895 PolarHBondContact O-N 3.05Å; L893-L896 PolarHBondContact O-N 2.69Å; L893-R897 WeakPolarHBondContact O-CB 3.25Å; L893-R897 PolarHBondContact O-N 3.06Å
894M86.8Confident78.9Confident3 Ų339.8 Ų39.82%0.01523%0.226CC..Hα-helixtrans-64.2-35.4177-69.7-175.4-65.600112.4V842 L843 G890 L891 R897 E898V842-M894 HydrophobicContact CG1-SD 4.31Å; L843-M894 HydrophobicContact CB-CG 4.09Å; L843-M894 HydrophobicContact CB-SD 4.43Å; L843-M894 HydrophobicContact CD1-CG 4.1Å; L843-M894 HydrophobicContact CG-CG 4.09Å; G890-M894 WeakPolarHBondContact O-CE 3.45Å; G890-M894 VanDerWaalsContact O-CG 3.31Å; G890-M894 WeakPolarHBondContact O-CG 3.22Å; G890-M894 PolarHBondContact O-N 3.37Å; L891-M894 HydrophobicContact CB-CE 4.45Å; L891-M894 HydrophobicContact CD2-CE 3.61Å; L891-M894 HydrophobicContact CG-CE 4.3Å; L891-M894 PolarHBondContact O-N 3.18Å; M894-R897 WeakPolarHBondContact O-CB 3.46Å; M894-E898 PolarHBondContact O-N 3.46Å
895Q83Confident78Confident43 Ų4341.3 Ų41.320%0.20125%0.249CC..Hα-helixtrans-66.4-45171.4-69.7-178.6-33.100112R714 F715 L718 L891 M892 L893 R897 E898 Q899R714-Q895 PolarHBondContact O-NE2 3.22Å; F715-Q895 HydrophobicContact CD1-CG 4.43Å; F715-Q895 HydrophobicContact CE1-CG 4.49Å; L718-Q895 HydrophobicContact CD2-CG 3.66Å; L891-Q895 WeakPolarHBondContact O-CG 3.31Å; L891-Q895 PolarHBondContact O-N 3.36Å; M892-Q895 PolarHBondContact O-N 3.1Å; L893-Q895 VanDerWaalsContact C-N 3.31Å; L893-Q895 PolarHBondContact O-N 3.05Å; Q895-R897 VanDerWaalsContact C-N 3.31Å; Q895-R897 PolarHBondContact O-N 2.84Å; Q895-E898 PolarHBondContact O-N 2.81Å; Q895-Q899 WeakPolarHBondContact O-CG 3.33Å; Q895-Q899 PolarHBondContact O-N 2.78Å
896L85Confident76.8Confident6 Ų645.2 Ų45.23%0.03126%0.256CS..Hα-helixtrans-62.8-40178.7-17066.8000111.4L821 R822 F825 L835 M892 L893 E898 Q899 Y900L821-L896 HydrophobicContact CB-CD2 4.39Å; R822-L896 HydrophobicContact CG-CD1 4.04Å; F825-L896 HydrophobicContact CB-CD2 4.12Å; F825-L896 HydrophobicContact CD2-CD2 3.43Å; F825-L896 VanDerWaalsContact CD2-CD2 3.43Å; F825-L896 HydrophobicContact CE2-CD2 4Å; F825-L896 HydrophobicContact CG-CD2 3.84Å; L835-L896 HydrophobicContact CD2-CB 4.21Å; L835-L896 HydrophobicContact CD2-CD2 4.08Å; L835-L896 HydrophobicContact CD2-CG 4.08Å; M892-L896 WeakPolarHBondContact O-CB 3.27Å; M892-L896 PolarHBondContact O-N 2.92Å; L893-L896 PolarHBondContact O-N 2.69Å; L896-E898 VanDerWaalsContact C-N 3.32Å; L896-E898 PolarHBondContact O-N 3.21Å; L896-Q899 PolarHBondContact O-N 3.41Å; L896-Y900 HydrophobicContact CD1-CD2 4.33Å; L896-Y900 HydrophobicContact CD1-CE2 3.79Å; L896-Y900 HydrophobicContact CD2-CE2 4.04Å; L896-Y900 HydrophobicContact CG-CD2 3.94Å; L896-Y900 HydrophobicContact CG-CE2 3.6Å; L896-Y900 VanDerWaalsContact O-CD2 3.26Å; L896-Y900 WeakPolarHBondContact O-CD2 3.41Å; L896-Y900 PolarHBondContact O-N 3.23Å
897R86.6Confident75Confident6 Ų646.3 Ų46.32%0.02326%0.256CS..Hα-helixtrans-53.6-48.4172.1-178.717569-1720.6111.3L835 P841 L893 M894 Q895 Y900 R901L835-R897 HydrophobicContact CD1-CB 4.07Å; L835-R897 HydrophobicContact CD2-CB 4.26Å; L835-R897 HydrophobicContact CG-CB 3.84Å; L835-R897 HydrophobicContact CG-CG 4.34Å; L835-R897 WeakPolarHBondContact O-CD 3.24Å; L835-R897 WeakPolarHBondContact O-CG 3.34Å; P841-R897 PolarHBondContact O-NH1 2.86Å; P841-R897 PolarHBondContact O-NH2 3.31Å; L893-R897 WeakPolarHBondContact O-CB 3.25Å; L893-R897 PolarHBondContact O-N 3.06Å; M894-R897 WeakPolarHBondContact O-CB 3.46Å; Q895-R897 VanDerWaalsContact C-N 3.31Å; Q895-R897 PolarHBondContact O-N 2.84Å; R897-Y900 PolarHBondContact O-N 3.5Å; R897-R901 WeakPolarHBondContact O-CG 3.13Å; R897-R901 PolarHBondContact O-N 3.08Å
898E78.3Confident72.6Confident46 Ų4654.7 Ų54.722%0.21530%0.295CS..Hα-helixtrans-65.5-40.1179.1-175.763.7-166.700112.5L721 M894 Q895 L896 Y900 R901 K902L721-E898 HydrophobicContact CD2-CB 3.62Å; L721-E898 HydrophobicContact CD2-CG 3.35Å; L721-E898 WeakPolarHBondContact CD2-OE2 3.43Å; M894-E898 PolarHBondContact O-N 3.46Å; Q895-E898 PolarHBondContact O-N 2.81Å; L896-E898 VanDerWaalsContact C-N 3.32Å; L896-E898 PolarHBondContact O-N 3.21Å; E898-Y900 VanDerWaalsContact C-N 3.32Å; E898-Y900 PolarHBondContact O-N 3.33Å; E898-R901 PolarHBondContact O-N 2.58Å; E898-K902 HydrophobicContact CG-CD 4.21Å; E898-K902 HydrophobicContact CG-CG 4.48Å; E898-K902 WeakPolarHBondContact O-CG 3.29Å; E898-K902 PolarHBondContact O-N 3.38Å; E898-K902 WeakPolarHBondContact OE1-CE 3.33Å; E898-K902 IonicContact OE1-NZ 2.89Å
899Q80.5Confident70.5Confident86 Ų8658.6 Ų58.640%0.40232%0.316SS..Hα-helixtrans-59.9-43.9177-70.3-177.8-1.500111.4R822 Q895 L896 K902 A903R822-Q899 VanDerWaalsContact NH2-OE1 3.11Å; Q895-Q899 WeakPolarHBondContact O-CG 3.33Å; Q895-Q899 PolarHBondContact O-N 2.78Å; L896-Q899 PolarHBondContact O-N 3.41Å; Q899-K902 PolarHBondContact O-N 2.92Å; Q899-A903 WeakPolarHBondContact O-CB 3.44Å; Q899-A903 PolarHBondContact O-N 2.8Å
900Y79.4Confident67.9Low36 Ų3662.6 Ų62.614%0.14135%0.351CS..Hα-helixtrans-66.9-43175.2-75.9-59.8000112.3F825 S826 I832 L835 L896 R897 E898 K902 A903 F904F825-Y900 HydrophobicContact CB-CE2 3.82Å; F825-Y900 WeakPolarHBondContact CB-OH 3.11Å; F825-Y900 HydrophobicContact CG-CE2 4.41Å; S826-Y900 PolarHBondContact N-OH 3.42Å; I832-Y900 HydrophobicContact CD1-CD1 4.22Å; I832-Y900 HydrophobicContact CD1-CE1 3.85Å; I832-Y900 HydrophobicContact CG1-CE1 4.43Å; I832-Y900 HydrophobicContact CG1-CE2 4.41Å; I832-Y900 HydrophobicContact CG2-CD1 4.42Å; I832-Y900 HydrophobicContact CG2-CD2 4.49Å; I832-Y900 HydrophobicContact CG2-CG 4.17Å; L835-Y900 HydrophobicContact CD2-CD2 4.23Å; L896-Y900 HydrophobicContact CD1-CD2 4.33Å; L896-Y900 HydrophobicContact CD1-CE2 3.79Å; L896-Y900 HydrophobicContact CD2-CE2 4.04Å; L896-Y900 HydrophobicContact CG-CD2 3.94Å; L896-Y900 HydrophobicContact CG-CE2 3.6Å; L896-Y900 VanDerWaalsContact O-CD2 3.26Å; L896-Y900 WeakPolarHBondContact O-CD2 3.41Å; L896-Y900 PolarHBondContact O-N 3.23Å; R897-Y900 PolarHBondContact O-N 3.5Å; E898-Y900 VanDerWaalsContact C-N 3.32Å; E898-Y900 PolarHBondContact O-N 3.33Å; Y900-K902 VanDerWaalsContact C-N 3.31Å; Y900-K902 PolarHBondContact O-N 3.4Å; Y900-A903 PolarHBondContact O-N 3.33Å; Y900-A903 VanDerWaalsContact O-N 3.13Å; Y900-F904 HydrophobicContact CD1-CD2 4.3Å; Y900-F904 AromaticContact CD1-CE2 3.48Å; Y900-F904 HydrophobicContact CD1-CE2 3.48Å; Y900-F904 VanDerWaalsContact CD1-CE2 3.48Å; Y900-F904 HydrophobicContact CD1-CZ 4.23Å; Y900-F904 HydrophobicContact CE1-CE2 4.37Å; Y900-F904 HydrophobicContact CG-CE2 4.05Å; Y900-F904 WeakPolarHBondContact O-CB 3.35Å; Y900-F904 WeakPolarHBondContact O-CD2 2.84Å; Y900-F904 PolarHBondContact O-N 2.94Å
901R75.6Confident65Low53 Ų5368.5 Ų68.520%0.239%0.387CS..Hα-helixtrans-56.6-43.9174.8-72.7-174.1106.1156.614.4112.7C840 R897 E898 G905 Q906C840-R901 VanDerWaalsContact SG-CZ 3.53Å; C840-R901 PolarHBondContact SG-NH1 2.57Å; C840-R901 PolarHBondContact SG-NH2 2.99Å; C840-R901 VanDerWaalsContact SG-NH2 3.39Å; R897-R901 WeakPolarHBondContact O-CG 3.13Å; R897-R901 PolarHBondContact O-N 3.08Å; E898-R901 PolarHBondContact O-N 2.58Å; R901-G905 PolarHBondContact O-N 3.48Å; R901-Q906 HydrophobicContact CB-CB 4.38Å; R901-Q906 WeakPolarHBondContact O-CB 3.42Å; R901-Q906 PolarHBondContact O-N 2.85Å
902K70.3Confident62.1Low116 Ų11675.6 Ų75.650%0.50443%0.425SS..Hα-helixtrans-63.4-44.7174.9-73.1177178.6170.80111.7E898 Q899 Y900 G905E898-K902 HydrophobicContact CG-CD 4.21Å; E898-K902 HydrophobicContact CG-CG 4.48Å; E898-K902 WeakPolarHBondContact O-CG 3.29Å; E898-K902 PolarHBondContact O-N 3.38Å; E898-K902 WeakPolarHBondContact OE1-CE 3.33Å; E898-K902 IonicContact OE1-NZ 2.89Å; Q899-K902 PolarHBondContact O-N 2.92Å; Y900-K902 VanDerWaalsContact C-N 3.31Å; Y900-K902 PolarHBondContact O-N 3.4Å; K902-G905 PolarHBondContact O-N 2.94Å
903A66.8Low59.3Low80 Ų8081.1 Ų81.166%0.66146%0.459SS*.Hα-helixtrans-67.7-37-178.900000113.6Q899 Y900 G905Q899-A903 WeakPolarHBondContact O-CB 3.44Å; Q899-A903 PolarHBondContact O-N 2.8Å; Y900-A903 PolarHBondContact O-N 3.33Å; Y900-A903 VanDerWaalsContact O-N 3.13Å; A903-G905 PolarHBondContact O-N 3.28Å
904F63Low56.2Low132 Ų13288.1 Ų88.158%0.57950%0.502SS*.THydrogen-bonded Turntrans-84.913.3177-65.3-66.6000113.4I832 Y900I832-F904 HydrophobicContact CD1-CE2 4.31Å; I832-F904 HydrophobicContact CD1-CZ 4.19Å; I832-F904 HydrophobicContact CG2-CD2 4.47Å; I832-F904 HydrophobicContact CG2-CE2 3.73Å; I832-F904 HydrophobicContact CG2-CZ 4.42Å; Y900-F904 HydrophobicContact CD1-CD2 4.3Å; Y900-F904 AromaticContact CD1-CE2 3.48Å; Y900-F904 HydrophobicContact CD1-CE2 3.48Å; Y900-F904 VanDerWaalsContact CD1-CE2 3.48Å; Y900-F904 HydrophobicContact CD1-CZ 4.23Å; Y900-F904 HydrophobicContact CE1-CE2 4.37Å; Y900-F904 HydrophobicContact CG-CE2 4.05Å; Y900-F904 WeakPolarHBondContact O-CB 3.35Å; Y900-F904 WeakPolarHBondContact O-CD2 2.84Å; Y900-F904 PolarHBondContact O-N 2.94Å
905G48.2Very low53.2Low64 Ų6492.4 Ų92.466%0.6653%0.532SS*.THydrogen-bonded Turntrans80.720.1169.100000116R901 K902 A903 S907R901-G905 PolarHBondContact O-N 3.48Å; K902-G905 PolarHBondContact O-N 2.94Å; A903-G905 PolarHBondContact O-N 3.28Å; G905-S907 VanDerWaalsContact C-N 3.3Å; G905-S907 PolarHBondContact O-N 3.37Å
906Q46.3Very low50.3Low125 Ų12596.8 Ų96.858%0.58456%0.561SS**  trans-85.916.3178.1-64.6-172.8-4.400114.7R901R901-Q906 HydrophobicContact CB-CB 4.38Å; R901-Q906 WeakPolarHBondContact O-CB 3.42Å; R901-Q906 PolarHBondContact O-N 2.85Å
907S33.7Very low47.8Very low72 Ų72101.7 Ų101.750%0.50360%0.596SS.*  trans-117.799.4-176.1164.20000112.5G905G905-S907 VanDerWaalsContact C-N 3.3Å; G905-S907 PolarHBondContact O-N 3.37Å
908Q32.7Very low44.8Very low189 Ų189106.8 Ų106.888%0.88363%0.63SS**  trans-174.456.8155.1-111.2178.146.600115.4
909T34.3Very low42.3Very low151 Ų151108.5 Ų108.593%0.92664%0.637SS**  trans-149.211.7166.741.10000117.7
910A28.9Very low40Very low95 Ų95108.3 Ų108.379%0.78565%0.645SS**  trans-117.463.4-174.800000114.5
911T26.1Very low37.6Very low124 Ų124109.8 Ų109.876%0.76167%0.665SS**  trans-149.2106.7162.445.70000110.3
912N24.9Very low35.7Very low154 Ų154112.5 Ų112.582%0.82468%0.683SS**  trans147.5126.7137.9-81.9-27.4000115.4
913V25.5Very low34Very low123 Ų123108.6 Ų108.675%0.74567%0.672SS**  trans84.1120.1138.5-179.80000119.1S915V913-S915 PolarHBondContact O-N 2.78Å
914V25.3Very low32.4Very low147 Ų147106 Ų10689%0.89165%0.648SS**  trans-59.1106.1162.3176.90000110.1
915S22.4Very low31.2Very low93 Ų93101.6 Ų101.665%0.6564%0.635SS**  trans-172.2135.1144.263.30000110.3V913V913-S915 PolarHBondContact O-N 2.78Å
916V23.1Very low30.7Very low134 Ų134103.9 Ų103.981%0.81263%0.632SS**SBendtrans12.7109.8163.9-163.50000117.4
917S31.2Very low30.3Very low109 Ų109101.1 Ų101.176%0.76262%0.621SS**  trans34.5113.6165.765.20000118
918P24.9Very low30.4Very low114 Ų114101.7 Ų101.774%0.7462%0.624SS**  -143.6139.7117.526.3-6.5000114
919F25.8Very low30.9Very low81 Ų8198.3 Ų98.336%0.35561%0.607SS.*  trans18113.6157.3-78.4-100.8000119.3H949 N1025 E1027 L1028F919-H949 AromaticContact CE1-CE1 3.82Å; F919-H949 AromaticContact CE1-ND1 3.97Å; F919-H949 AromaticContact CZ-CE1 3.63Å; F919-H949 AromaticContact CZ-ND1 3.3Å; F919-H949 VanDerWaalsContact CZ-ND1 3.3Å; F919-H949 WeakPolarHBondContact CZ-ND1 3.41Å; F919-N1025 VanDerWaalsContact CE1-ND2 3.27Å; F919-N1025 WeakPolarHBondContact CE1-ND2 3.21Å; F919-N1025 WeakPolarHBondContact CE2-ND2 3.49Å; F919-N1025 WeakPolarHBondContact CZ-ND2 3.46Å; F919-E1027 WeakPolarHBondContact CB-OE2 3.1Å; F919-E1027 WeakPolarHBondContact CG-OE2 3.25Å; F919-L1028 HydrophobicContact CE1-CD1 4.17Å; F919-L1028 HydrophobicContact CE1-CG 4.23Å; F919-L1028 HydrophobicContact CZ-CD1 4.22Å
920S31.3Very low31.3Very low83 Ų8392.6 Ų92.658%0.5857%0.569SS**  trans-85.1112.3161.169.20000109.7N922 A923S920-N922 PolarHBondContact O-N 2.84Å; S920-A923 PolarHBondContact O-N 2.65Å
921A29.5Very low32.2Very low67 Ų6790.7 Ų90.755%0.55456%0.559SS**G310 helixtrans-55.7-6.8168.200000114.2A923A921-A923 VanDerWaalsContact C-N 3.28Å; A921-A923 PolarHBondContact O-N 2.77Å
922N35.5Very low33.3Very low110 Ų11088.8 Ų88.859%0.58854%0.544SS*.G310 helixtrans-70.3-13.8176.8-71.3-6.6000114.8S920 L924 A925S920-N922 PolarHBondContact O-N 2.84Å; N922-L924 PolarHBondContact O-N 2.9Å; N922-A925 PolarHBondContact O-N 3.21Å
923A35.5Very low35.2Very low33 Ų3386.5 Ų86.527%0.27353%0.528SS..G310 helixtrans-72.8-9.517900000113.9S920 A921 P942S920-A923 PolarHBondContact O-N 2.65Å; A921-A923 VanDerWaalsContact C-N 3.28Å; A921-A923 PolarHBondContact O-N 2.77Å; A923-P942 HydrophobicContact CB-CG 3.31Å
924L33.1Very low37.4Very low27 Ų2781 Ų8114%0.14149%0.494CS..G310 helixtrans-88.4-3.6172.3-83.1156.4000113.8N922 L927 S1031N922-L924 PolarHBondContact O-N 2.9Å; L924-L927 WeakPolarHBondContact O-CD1 3.44Å; L924-L927 WeakPolarHBondContact O-CG 3.37Å; L924-S1031 WeakPolarHBondContact CD1-OG 3.46Å
925A36.1Very low40Very low38 Ų3874.3 Ų74.331%0.31445%0.453SS..SBendtrans-91.1-18.1-178.600000113.1N922 L927N922-A925 PolarHBondContact O-N 3.21Å; A925-L927 PolarHBondContact O-N 2.94Å
926D37.9Very low42.9Very low113 Ų11370.4 Ų70.460%0.60443%0.426SS*.SBendtrans-91.437.5176.3-76.1-34.4000112.3C928D926-C928 PolarHBondContact O-N 3.32Å
927L37.9Very low45.8Very low67 Ų6764.3 Ų64.335%0.35139%0.388SS..  trans-58.298.8178.8-72.9162000110.2L924 A925 K929 F935L924-L927 WeakPolarHBondContact O-CD1 3.44Å; L924-L927 WeakPolarHBondContact O-CG 3.37Å; A925-L927 PolarHBondContact O-N 2.94Å; L927-K929 PolarHBondContact O-N 3.19Å; L927-F935 HydrophobicContact CD2-CD2 3.75Å; L927-F935 HydrophobicContact CD2-CE2 2.92Å; L927-F935 HydrophobicContact CD2-CZ 3.38Å; L927-F935 HydrophobicContact CG-CE2 4.42Å
928C36.7Very low48.3Very low84 Ų8462.6 Ų62.657%0.56837%0.37SS*.EExtended strand (participates in β ladder)trans-69.476.7167-70.30000108.2D926 F930 V936D926-C928 PolarHBondContact O-N 3.32Å; C928-F930 PolarHBondContact O-N 3.24Å; C928-V936 HydrophobicContact CB-CB 4.46Å; C928-V936 PolarHBondContact O-N 3.35Å
929K43.7Very low51Low118 Ų11860.2 Ų60.251%0.51336%0.356SS..EExtended strand (participates in β ladder)trans-67.9119.6167-86.6-171.5173.4-170.50108.5L927 G931L927-K929 PolarHBondContact O-N 3.19Å; K929-G931 CarbonylContact C-O 3.49Å; K929-G931 PolarHBondContact O-N 3.34Å
930F42.4Very low53.2Low31 Ų3161 Ų6114%0.13637%0.372CS..EExtended strand (participates in β ladder)trans-89.285.2175.7-123.9-106.3000109C928 I934 V936 G1056 L1059 Q1060C928-F930 PolarHBondContact O-N 3.24Å; F930-I934 HydrophobicContact CB-CB 4.09Å; F930-I934 PolarHBondContact N-O 3.37Å; F930-I934 VanDerWaalsContact N-O 3.08Å; F930-V936 HydrophobicContact CB-CG2 4Å; F930-V936 HydrophobicContact CD2-CB 4.03Å; F930-V936 HydrophobicContact CD2-CG2 3.37Å; F930-V936 HydrophobicContact CE2-CB 4.39Å; F930-V936 HydrophobicContact CE2-CG1 4.46Å; F930-V936 HydrophobicContact CE2-CG2 3.81Å; F930-V936 HydrophobicContact CG-CG2 3.86Å; F930-G1056 WeakPolarHBondContact CE2-O 3.1Å; F930-G1056 WeakPolarHBondContact CZ-O 3.33Å; F930-L1059 HydrophobicContact CE1-CB 4.25Å; F930-L1059 HydrophobicContact CE1-CD2 4.37Å; F930-L1059 HydrophobicContact CE1-CG 3.95Å; F930-L1059 HydrophobicContact CZ-CB 3.75Å; F930-L1059 HydrophobicContact CZ-CD2 4.15Å; F930-L1059 HydrophobicContact CZ-CG 3.87Å; F930-Q1060 HydrophobicContact CE1-CB 3.6Å; F930-Q1060 HydrophobicContact CE1-CG 3.94Å; F930-Q1060 HydrophobicContact CE2-CB 4.11Å; F930-Q1060 HydrophobicContact CZ-CB 3.35Å; F930-Q1060 HydrophobicContact CZ-CG 4.03Å
931G46.7Very low55.6Low55 Ų5558 Ų5857%0.56735%0.349SS*.THydrogen-bonded Turntrans53.7-168.6-156.300000110.8K929 E933K929-G931 CarbonylContact C-O 3.49Å; K929-G931 PolarHBondContact O-N 3.34Å; G931-E933 PolarHBondContact O-N 3.14Å; G931-E933 VanDerWaalsContact O-N 3.11Å
932N48.9Very low58Low84 Ų8455.9 Ų55.945%0.44933%0.33SS..THydrogen-bonded Turntrans-74.912.7175.2-85.4-17.4000114.4D493 L1038D493-N932 VanDerWaalsContact OD2-CG 3.32Å; D493-N932 PolarHBondContact OD2-ND2 2.91Å; N932-L1038 WeakPolarHBondContact O-CD2 3.31Å
933E65.1Low60.3Low106 Ų10650.7 Ų50.750%0.49530%0.302SS..THydrogen-bonded Turntrans-118.4-21.2-164-50.1-163.4157.600117.1G931 P1039 A1070G931-E933 PolarHBondContact O-N 3.14Å; G931-E933 VanDerWaalsContact O-N 3.11Å; E933-P1039 WeakPolarHBondContact O-CD 3.4Å; E933-A1070 HydrophobicContact CB-CB 3.52Å; E933-A1070 VanDerWaalsContact O-CB 3.29Å; E933-A1070 WeakPolarHBondContact O-CB 3.45Å; E933-A1070 PolarHBondContact OE2-N 3.08Å
934I72.4Confident62.8Low7 Ų749.1 Ų49.14%0.03629%0.289CS..EExtended strand (participates in β ladder)trans-137.6138179.7-53.6177.6000110.8F930 V936 P1039 A1041 A1070 L1073F930-I934 HydrophobicContact CB-CB 4.09Å; F930-I934 PolarHBondContact N-O 3.37Å; F930-I934 VanDerWaalsContact N-O 3.08Å; I934-V936 HydrophobicContact CG2-CG2 4.16Å; I934-P1039 WeakPolarHBondContact CG2-O 3.37Å; I934-A1041 HydrophobicContact CG2-CB 3.81Å; I934-A1070 HydrophobicContact CD1-CB 4.08Å; I934-A1070 HydrophobicContact CG1-CB 3.57Å; I934-L1073 HydrophobicContact CD1-CB 4.07Å; I934-L1073 HydrophobicContact CD1-CD1 3.6Å; I934-L1073 HydrophobicContact CD1-CG 4.29Å
935F80.6Confident65.3Low7 Ų747.9 Ų47.93%0.03128%0.283CS..EExtended strand (participates in β ladder)trans-92.3110.5173.3-174-74.5000110L927 F937 H941 L943 T1035 L1038 P1039 L1040 A1041L927-F935 HydrophobicContact CD2-CD2 3.75Å; L927-F935 HydrophobicContact CD2-CE2 2.92Å; L927-F935 HydrophobicContact CD2-CZ 3.38Å; L927-F935 HydrophobicContact CG-CE2 4.42Å; F935-F937 HydrophobicContact CD1-CB 4.49Å; F935-F937 AromaticContact CD1-CD1 3.85Å; F935-F937 HydrophobicContact CD1-CD1 3.85Å; F935-F937 HydrophobicContact CE1-CB 4.02Å; F935-F937 AromaticContact CE1-CD1 3.96Å; F935-F937 HydrophobicContact CE1-CD1 3.96Å; F935-F937 HydrophobicContact CE1-CG 4.29Å; F935-H941 AromaticContact CZ-CE1 3.93Å; F935-H941 AromaticContact CZ-NE2 3.85Å; F935-L943 HydrophobicContact CE1-CD1 4.2Å; F935-L943 HydrophobicContact CZ-CD1 4.35Å; F935-T1035 HydrophobicContact CD2-CG2 3.77Å; F935-T1035 HydrophobicContact CE1-CG2 4.26Å; F935-T1035 HydrophobicContact CE2-CG2 3.34Å; F935-T1035 HydrophobicContact CG-CG2 4.34Å; F935-T1035 HydrophobicContact CZ-CG2 3.67Å; F935-L1038 HydrophobicContact CB-CB 4.1Å; F935-L1038 HydrophobicContact CB-CD1 4.35Å; F935-P1039 PolarHBondContact N-O 3.26Å; F935-L1040 HydrophobicContact CB-CD2 3.72Å; F935-L1040 HydrophobicContact CD1-CD2 3.66Å; F935-L1040 HydrophobicContact CD2-CD2 4.36Å; F935-L1040 HydrophobicContact CE1-CD2 4.38Å; F935-L1040 HydrophobicContact CG-CD2 3.68Å; F935-A1041 PolarHBondContact O-N 3.21Å
936V81.8Confident67.5Low11 Ų1149.5 Ų49.57%0.06728%0.283CS..EExtended strand (participates in β ladder)trans-102.4132-179.7176.40000110.8C928 F930 I934 A1041 C1043 L1059C928-V936 HydrophobicContact CB-CB 4.46Å; C928-V936 PolarHBondContact O-N 3.35Å; F930-V936 HydrophobicContact CB-CG2 4Å; F930-V936 HydrophobicContact CD2-CB 4.03Å; F930-V936 HydrophobicContact CD2-CG2 3.37Å; F930-V936 HydrophobicContact CE2-CB 4.39Å; F930-V936 HydrophobicContact CE2-CG1 4.46Å; F930-V936 HydrophobicContact CE2-CG2 3.81Å; F930-V936 HydrophobicContact CG-CG2 3.86Å; I934-V936 HydrophobicContact CG2-CG2 4.16Å; V936-A1041 HydrophobicContact CG2-CB 4.21Å; V936-C1043 HydrophobicContact CG1-CB 3.92Å; V936-C1043 WeakPolarHBondContact CG1-SG 3.27Å; V936-L1059 HydrophobicContact CG2-CD2 4.19Å
937F85.1Confident69.4Low5 Ų544.4 Ų44.42%0.02226%0.257CS..EExtended strand (participates in β ladder)trans-140148.817565.1-76.4000111.4F935 H941 L943 L1040 A1041 Y1042 C1043 W1092 L1096F935-F937 HydrophobicContact CD1-CB 4.49Å; F935-F937 AromaticContact CD1-CD1 3.85Å; F935-F937 HydrophobicContact CD1-CD1 3.85Å; F935-F937 HydrophobicContact CE1-CB 4.02Å; F935-F937 AromaticContact CE1-CD1 3.96Å; F935-F937 HydrophobicContact CE1-CD1 3.96Å; F935-F937 HydrophobicContact CE1-CG 4.29Å; F937-H941 HydrophobicContact CB-CB 3.67Å; F937-H941 HydrophobicContact CD2-CB 4.26Å; F937-H941 HydrophobicContact CG-CB 4.44Å; F937-L943 HydrophobicContact CD2-CB 4.17Å; F937-L943 HydrophobicContact CE2-CB 4.08Å; F937-L1040 HydrophobicContact CE1-CB 4.04Å; F937-A1041 WeakPolarHBondContact CD1-O 3.4Å; F937-A1041 PolarHBondContact N-O 3.45Å; F937-Y1042 AromaticContact CD2-CD2 3.86Å; F937-Y1042 HydrophobicContact CD2-CD2 3.86Å; F937-Y1042 AromaticContact CE2-CD2 3.62Å; F937-Y1042 HydrophobicContact CE2-CD2 3.62Å; F937-Y1042 HydrophobicContact CE2-CG 4.05Å; F937-Y1042 HydrophobicContact CZ-CD2 4.29Å; F937-Y1042 HydrophobicContact CZ-CG 4.32Å; F937-Y1042 CarbonylContact O-C 3.56Å; F937-Y1042 WeakPolarHBondContact O-CA 3.48Å; F937-C1043 PolarHBondContact O-N 3.2Å; F937-W1092 AromaticContact CE2-CD1 3.96Å; F937-W1092 AromaticContact CZ-CD1 3.92Å; F937-L1096 HydrophobicContact CE2-CD1 4.44Å; F937-L1096 HydrophobicContact CZ-CD1 3.86Å
938N83.7Confident71.3Confident73 Ų7346.9 Ų46.939%0.3928%0.278SS..  trans-114.9-173.2-178.464.46.4000110.6S940 H941 S944N938-S940 PolarHBondContact ND2-OG 3.25Å; N938-S940 VanDerWaalsContact ND2-OG 3.13Å; N938-S940 PolarHBondContact O-N 3.31Å; N938-S940 VanDerWaalsContact O-N 3.17Å; N938-S940 PolarHBondContact OD1-N 3.21Å; N938-S940 PolarHBondContact OD1-OG 2.95Å; N938-H941 WeakPolarHBondContact O-CB 3.42Å; N938-H941 PolarHBondContact O-N 2.93Å; N938-H941 PolarHBondContact OD1-N 3.11Å; N938-S944 WeakPolarHBondContact O-CB 3.29Å
939S81.1Confident73.1Confident64 Ų6443.4 Ų43.445%0.44825%0.253SS..THydrogen-bonded Turntrans-60.9-22.3-179.551.40000114.5H941 S944 E946S939-H941 VanDerWaalsContact C-N 3.34Å; S939-S944 PolarHBondContact O-OG 3.08Å; S939-E946 VanDerWaalsContact CA-OE2 3.29Å; S939-E946 WeakPolarHBondContact CA-OE2 3.3Å; S939-E946 WeakPolarHBondContact CB-OE2 3.38Å
940S73.1Confident74.7Confident99 Ų9942.6 Ų42.669%0.69226%0.262SS*.THydrogen-bonded Turntrans-79.9-9.7175.241.50000114.7N938N938-S940 PolarHBondContact ND2-OG 3.25Å; N938-S940 VanDerWaalsContact ND2-OG 3.13Å; N938-S940 PolarHBondContact O-N 3.31Å; N938-S940 VanDerWaalsContact O-N 3.17Å; N938-S940 PolarHBondContact OD1-N 3.21Å; N938-S940 PolarHBondContact OD1-OG 2.95Å
941H80.5Confident76.3Confident18 Ų1841.3 Ų41.38%0.08326%0.257CS..SBendtrans-83.3146.1-178.1-169.3-94.5000111.9F935 F937 N938 S939 L943 S944F935-H941 AromaticContact CZ-CE1 3.93Å; F935-H941 AromaticContact CZ-NE2 3.85Å; F937-H941 HydrophobicContact CB-CB 3.67Å; F937-H941 HydrophobicContact CD2-CB 4.26Å; F937-H941 HydrophobicContact CG-CB 4.44Å; N938-H941 WeakPolarHBondContact O-CB 3.42Å; N938-H941 PolarHBondContact O-N 2.93Å; N938-H941 PolarHBondContact OD1-N 3.11Å; S939-H941 VanDerWaalsContact C-N 3.34Å; H941-L943 WeakPolarHBondContact ND1-CB 3.28Å; H941-L943 PolarHBondContact ND1-N 3.2Å; H941-L943 VanDerWaalsContact ND1-N 3.1Å; H941-L943 PolarHBondContact O-N 2.94Å; H941-L943 VanDerWaalsContact O-N 3.17Å; H941-S944 WeakPolarHBondContact O-CB 3.33Å; H941-S944 PolarHBondContact O-N 3.5Å; H941-S944 PolarHBondContact O-OG 2.96Å
942P79.8Confident77.8Confident24 Ų2441.9 Ų41.916%0.15626%0.256CS..THydrogen-bonded Turntrans-59.2-29.7179.3-23.330.9000114.2A923 S944 H949 L1028A923-P942 HydrophobicContact CB-CG 3.31Å; P942-S944 PolarHBondContact O-N 3.2Å; P942-H949 PolarHBondContact O-CE1 3.24Å; P942-H949 PolarHBondContact O-NE2 3.05Å; P942-L1028 HydrophobicContact CB-CD2 4.28Å; P942-L1028 WeakPolarHBondContact O-CD2 3.18Å
943L84.8Confident79.1Confident0 Ų038.5 Ų38.50%024%0.237CC..THydrogen-bonded Turntrans-74.9-3.2175.3-62.5172.6000113.4F935 F937 H941 L1028 L1032 T1035 W1092 L1096F935-L943 HydrophobicContact CE1-CD1 4.2Å; F935-L943 HydrophobicContact CZ-CD1 4.35Å; F937-L943 HydrophobicContact CD2-CB 4.17Å; F937-L943 HydrophobicContact CE2-CB 4.08Å; H941-L943 WeakPolarHBondContact ND1-CB 3.28Å; H941-L943 PolarHBondContact ND1-N 3.2Å; H941-L943 VanDerWaalsContact ND1-N 3.1Å; H941-L943 PolarHBondContact O-N 2.94Å; H941-L943 VanDerWaalsContact O-N 3.17Å; L943-L1028 HydrophobicContact CD2-CD2 3.77Å; L943-L1032 HydrophobicContact CD2-CB 4.32Å; L943-T1035 HydrophobicContact CD1-CG2 4.14Å; L943-W1092 PolarHBondContact O-NE1 2.97Å; L943-L1096 HydrophobicContact CB-CD1 4.17Å; L943-L1096 HydrophobicContact CD2-CD2 4.43Å
944S86.7Confident79.4Confident0 Ų038.8 Ų38.80%024%0.242CC..SBendtrans-72.6151.3-18092.40000111.6N938 S939 H941 P942 E946 A947N938-S944 WeakPolarHBondContact O-CB 3.29Å; S939-S944 PolarHBondContact O-OG 3.08Å; H941-S944 WeakPolarHBondContact O-CB 3.33Å; H941-S944 PolarHBondContact O-N 3.5Å; H941-S944 PolarHBondContact O-OG 2.96Å; P942-S944 PolarHBondContact O-N 3.2Å; S944-E946 PolarHBondContact O-N 3.06Å; S944-E946 PolarHBondContact OG-N 3.18Å; S944-E946 PolarHBondContact OG-OE2 3.48Å; S944-A947 WeakPolarHBondContact O-CB 3.33Å; S944-A947 PolarHBondContact O-N 3.37Å; S944-A947 WeakPolarHBondContact OG-CB 3.48Å; S944-A947 PolarHBondContact OG-N 3.41Å
945P85.8Confident79.3Confident2 Ų247.1 Ų47.11%0.01329%0.286CS..THydrogen-bonded Turntrans-66.8-25.3174.326.2-31.1000112.5S960 A961 S962 Y1042 W1092P945-S960 WeakPolarHBondContact O-CB 3.49Å; P945-S960 PolarHBondContact O-OG 2.96Å; P945-A961 HydrophobicContact CB-CB 4.45Å; P945-A961 PolarHBondContact O-N 3.35Å; P945-S962 PolarHBondContact O-N 2.92Å; P945-S962 PolarHBondContact O-OG 3.49Å; P945-Y1042 HydrophobicContact CG-CE1 3.95Å; P945-W1092 HydrophobicContact CB-CD2 4.09Å; P945-W1092 HydrophobicContact CB-CE3 4.13Å; P945-W1092 HydrophobicContact CB-CH2 3.82Å; P945-W1092 HydrophobicContact CB-CZ2 3.72Å; P945-W1092 HydrophobicContact CB-CZ3 4.01Å; P945-W1092 HydrophobicContact CG-CD2 4.24Å
946E82Confident78.9Confident71 Ų7151.7 Ų51.733%0.33230%0.303SS..THydrogen-bonded Turntrans-83.4-12.9178-52.792.8-172.200113.9S939 S944 S962 Y1042S939-E946 VanDerWaalsContact CA-OE2 3.29Å; S939-E946 WeakPolarHBondContact CA-OE2 3.3Å; S939-E946 WeakPolarHBondContact CB-OE2 3.38Å; S944-E946 PolarHBondContact O-N 3.06Å; S944-E946 PolarHBondContact OG-N 3.18Å; S944-E946 PolarHBondContact OG-OE2 3.48Å; E946-S962 PolarHBondContact N-OG 2.89Å; E946-Y1042 PolarHBondContact OE1-OH 2.95Å; E946-Y1042 PolarHBondContact OE2-OH 3.35Å
947A79.2Confident78.6Confident7 Ų756.5 Ų56.56%0.05833%0.333CS..SBendtrans-59.6138.2-177.500000111.3S944 H949 S960S944-A947 WeakPolarHBondContact O-CB 3.33Å; S944-A947 PolarHBondContact O-N 3.37Å; S944-A947 WeakPolarHBondContact OG-CB 3.48Å; S944-A947 PolarHBondContact OG-N 3.41Å; A947-H949 VanDerWaalsContact CB-NE2 3.26Å; A947-H949 WeakPolarHBondContact CB-NE2 3.42Å; A947-H949 PolarHBondContact O-CD2 2.99Å; A947-H949 PolarHBondContact O-N 3Å; A947-S960 WeakPolarHBondContact O-CB 3.38Å
948P78.1Confident78.3Confident119 Ų11957.1 Ų57.177%0.77334%0.335SS*.  trans-7098.4-175.525.9-32000111R959P948-R959 CarbonylContact C-O 3.6Å; P948-R959 WeakPolarHBondContact CA-O 3.41Å
949H73.3Confident78Confident10 Ų1060.7 Ų60.75%0.04634%0.343CS..  trans-126.6118.1178.7-61.1-44.9000109.4F919 P942 A947 L951 Y958 R959 S960F919-H949 AromaticContact CE1-CE1 3.82Å; F919-H949 AromaticContact CE1-ND1 3.97Å; F919-H949 AromaticContact CZ-CE1 3.63Å; F919-H949 AromaticContact CZ-ND1 3.3Å; F919-H949 VanDerWaalsContact CZ-ND1 3.3Å; F919-H949 WeakPolarHBondContact CZ-ND1 3.41Å; P942-H949 PolarHBondContact O-CE1 3.24Å; P942-H949 PolarHBondContact O-NE2 3.05Å; A947-H949 VanDerWaalsContact CB-NE2 3.26Å; A947-H949 WeakPolarHBondContact CB-NE2 3.42Å; A947-H949 PolarHBondContact O-CD2 2.99Å; A947-H949 PolarHBondContact O-N 3Å; H949-L951 HydrophobicContact CB-CG 4.42Å; H949-L951 PolarHBondContact O-N 2.66Å; H949-L951 VanDerWaalsContact O-N 3.11Å; H949-Y958 VanDerWaalsContact O-O 3.06Å; H949-R959 CarbonylContact C-O 3.59Å; H949-R959 PolarHBondContact N-O 2.85Å; H949-R959 CarbonylContact O-C 3.51Å; H949-R959 VanDerWaalsContact O-O 3.11Å; H949-S960 PolarHBondContact O-N 3.26Å
950S77.2Confident78Confident102 Ų10257.8 Ų57.871%0.71332%0.323SS*.  trans-75.1101.4177.5-152.70000109.7Y958S950-Y958 WeakPolarHBondContact CA-O 3.42Å
951L76.6Confident78.6Confident3 Ų353.1 Ų53.12%0.01629%0.29CS..EExtended strand (participates in β ladder)trans-101122.7-177-61.5168.7000110.1H949 T957 Y958 A961 L964 L1020 M1021H949-L951 HydrophobicContact CB-CG 4.42Å; H949-L951 PolarHBondContact O-N 2.66Å; H949-L951 VanDerWaalsContact O-N 3.11Å; L951-T957 CarbonylContact O-C 3.54Å; L951-T957 WeakPolarHBondContact O-CA 3.32Å; L951-Y958 PolarHBondContact N-O 3.09Å; L951-Y958 PolarHBondContact O-N 3.46Å; L951-A961 VanDerWaalsContact CD1-CA 3.48Å; L951-A961 HydrophobicContact CD1-CB 4.12Å; L951-L964 HydrophobicContact CD1-CD2 4.44Å; L951-L1020 HydrophobicContact CD2-CB 3.94Å; L951-M1021 HydrophobicContact CD2-CB 4.34Å
952A77.6Confident78.7Confident67 Ų6753.1 Ų53.155%0.55429%0.293SS*.EExtended strand (participates in β ladder)trans-94.911817600000110.8R956A952-R956 WeakPolarHBondContact CA-O 3.4Å
953W76.3Confident78.8Confident14 Ų1452.9 Ų52.95%0.05329%0.289CS..EExtended strand (participates in β ladder)trans-145.9135.2176.5-179.2-106000110.3N955 R956 Y958 L964 L1016 L1020 L1133W953-N955 PolarHBondContact O-N 2.75Å; W953-R956 PolarHBondContact N-O 2.73Å; W953-R956 PolarHBondContact O-N 3.34Å; W953-R956 VanDerWaalsContact O-O 3.12Å; W953-Y958 HydrophobicContact CB-CD2 4.49Å; W953-Y958 HydrophobicContact CB-CE2 4.14Å; W953-L964 HydrophobicContact CB-CD1 4.09Å; W953-L964 HydrophobicContact CG-CD1 4.11Å; W953-L1016 HydrophobicContact CD2-CD1 4.14Å; W953-L1016 HydrophobicContact CD2-CD2 4.04Å; W953-L1016 HydrophobicContact CE3-CD1 3.71Å; W953-L1016 HydrophobicContact CE3-CD2 4.46Å; W953-L1016 HydrophobicContact CH2-CD1 3.62Å; W953-L1016 HydrophobicContact CH2-CD2 4.22Å; W953-L1016 HydrophobicContact CZ2-CD1 4.07Å; W953-L1016 HydrophobicContact CZ2-CD2 3.79Å; W953-L1016 HydrophobicContact CZ3-CD1 3.42Å; W953-L1016 VanDerWaalsContact CZ3-CD1 3.42Å; W953-L1020 HydrophobicContact CB-CD1 4.13Å; W953-L1020 HydrophobicContact CD2-CD1 4.36Å; W953-L1020 HydrophobicContact CE3-CD1 3.97Å; W953-L1020 HydrophobicContact CE3-CD2 4.41Å; W953-L1020 HydrophobicContact CG-CD1 4.46Å; W953-L1133 HydrophobicContact CZ2-CD1 4.11Å
954N71.1Confident78.8Confident112 Ų11252.9 Ų52.960%0.59929%0.289SS*.THydrogen-bonded Turntrans45.752.1-179.5-87-1.9000114.6R956N954-R956 PolarHBondContact O-N 3.48Å
955N72Confident78.8Confident181 Ų18153.8 Ų53.897%0.96829%0.293SS*.THydrogen-bonded Turntrans58.413-178.2-67.3-14000115.6W953W953-N955 PolarHBondContact O-N 2.75Å
956R71.4Confident78.5Confident103 Ų10355.6 Ų55.639%0.38930%0.299SS..EExtended strand (participates in β ladder)trans-115.7152.8173.3-68.1-173179.4-149.32.2110.9A952 W953 N954 Y958 E977A952-R956 WeakPolarHBondContact CA-O 3.4Å; W953-R956 PolarHBondContact N-O 2.73Å; W953-R956 PolarHBondContact O-N 3.34Å; W953-R956 VanDerWaalsContact O-O 3.12Å; N954-R956 PolarHBondContact O-N 3.48Å; R956-Y958 HydrophobicContact CB-CE2 3.9Å; R956-E977 IonicContact CZ-OE1 3.76Å; R956-E977 IonicContact CZ-OE2 2.68Å; R956-E977 IonicContact NE-OE1 3.13Å; R956-E977 PolarHBondContact NE-OE1 2.51Å; R956-E977 IonicContact NE-OE2 2.65Å; R956-E977 IonicContact NH1-OE1 3.41Å; R956-E977 IonicContact NH1-OE2 3.6Å; R956-E977 IonicContact NH2-OE1 3.66Å; R956-E977 IonicContact NH2-OE2 3.75Å; R956-E977 PolarHBondContact NH2-OE2 2.95Å
957T75.8Confident78.4Confident112 Ų11252.3 Ų52.369%0.68729%0.285SS*.EExtended strand (participates in β ladder)trans-110.712417448.60000110L951L951-T957 CarbonylContact O-C 3.54Å; L951-T957 WeakPolarHBondContact O-CA 3.32Å
958Y77.9Confident78.6Confident19 Ų1953.3 Ų53.38%0.07529%0.288CS..EExtended strand (participates in β ladder)trans-105.6141.8177.8-61-91.8000109.6H949 S950 L951 W953 R956 H963 L964 S967H949-Y958 VanDerWaalsContact O-O 3.06Å; S950-Y958 WeakPolarHBondContact CA-O 3.42Å; L951-Y958 PolarHBondContact N-O 3.09Å; L951-Y958 PolarHBondContact O-N 3.46Å; W953-Y958 HydrophobicContact CB-CD2 4.49Å; W953-Y958 HydrophobicContact CB-CE2 4.14Å; R956-Y958 HydrophobicContact CB-CE2 3.9Å; Y958-H963 HydrophobicContact CD1-CB 4.24Å; Y958-L964 HydrophobicContact CD1-CB 4.3Å; Y958-L964 HydrophobicContact CD2-CB 4.32Å; Y958-L964 HydrophobicContact CD2-CD1 3.81Å; Y958-L964 HydrophobicContact CE1-CD1 4.3Å; Y958-L964 HydrophobicContact CE2-CD1 3.58Å; Y958-L964 HydrophobicContact CG-CB 4.03Å; Y958-L964 HydrophobicContact CG-CD1 4.26Å; Y958-S967 VanDerWaalsContact CE1-CB 3.47Å; Y958-S967 WeakPolarHBondContact CE1-OG 3.35Å; Y958-S967 PolarHBondContact OH-OG 2.85Å; Y958-S967 VanDerWaalsContact OH-OG 3.11Å
959R77.1Confident78.9Confident147 Ų14747.6 Ų47.656%0.55525%0.251SS*.SBendtrans-79.1-15.7-174.875.9177.2-156.2-140.1-9.5115.1P948 H949 H963 F982P948-R959 CarbonylContact C-O 3.6Å; P948-R959 WeakPolarHBondContact CA-O 3.41Å; H949-R959 CarbonylContact C-O 3.59Å; H949-R959 PolarHBondContact N-O 2.85Å; H949-R959 CarbonylContact O-C 3.51Å; H949-R959 VanDerWaalsContact O-O 3.11Å; R959-H963 WeakPolarHBondContact CG-ND1 3.42Å; R959-H963 PolarHBondContact NE-CE1 3.17Å; R959-H963 PolarHBondContact NE-NE2 3.13Å; R959-H963 PolarHBondContact NH2-CE1 2.98Å; R959-H963 VanDerWaalsContact NH2-CE1 3.3Å; R959-H963 PolarHBondContact NH2-NE2 2.81Å; R959-H963 VanDerWaalsContact NH2-NE2 3.14Å; R959-F982 PolarHBondContact NH1-O 2.95Å
960S82Confident79.1Confident3 Ų347.4 Ų47.42%0.02125%0.25CS..SBendtrans-160168.5174.782.10000110.6P945 A947 H949 S962 H963 L964P945-S960 WeakPolarHBondContact O-CB 3.49Å; P945-S960 PolarHBondContact O-OG 2.96Å; A947-S960 WeakPolarHBondContact O-CB 3.38Å; H949-S960 PolarHBondContact O-N 3.26Å; S960-S962 VanDerWaalsContact C-N 3.29Å; S960-S962 PolarHBondContact O-N 3.35Å; S960-S962 PolarHBondContact OG-N 3.18Å; S960-H963 WeakPolarHBondContact O-CB 3.28Å; S960-H963 PolarHBondContact O-N 3.49Å; S960-H963 VanDerWaalsContact O-N 3.09Å; S960-H963 PolarHBondContact OG-N 3.46Å; S960-H963 PolarHBondContact OG-ND1 2.96Å; S960-L964 PolarHBondContact O-N 3.05Å
961A85.7Confident79.2Confident1 Ų146.1 Ų46.11%0.00824%0.235CC..Hα-helixtrans-59.1-39.4174.200000112.5P945 L951 H963 L964 Y965 C1017 W1092P945-A961 HydrophobicContact CB-CB 4.45Å; P945-A961 PolarHBondContact O-N 3.35Å; L951-A961 VanDerWaalsContact CD1-CA 3.48Å; L951-A961 HydrophobicContact CD1-CB 4.12Å; A961-H963 PolarHBondContact O-N 3.38Å; A961-L964 PolarHBondContact O-N 2.83Å; A961-Y965 PolarHBondContact O-N 2.82Å; A961-C1017 HydrophobicContact CB-CB 4.04Å; A961-W1092 HydrophobicContact CB-CH2 3.55Å; A961-W1092 HydrophobicContact CB-CZ2 4.21Å; A961-W1092 HydrophobicContact CB-CZ3 4.44Å
962S82.6Confident79.3Confident19 Ų1948.4 Ų48.413%0.13325%0.254CS..Hα-helixtrans-55.9-39.2173.8-50.10000112.3P945 E946 S960 Y965 W966P945-S962 PolarHBondContact O-N 2.92Å; P945-S962 PolarHBondContact O-OG 3.49Å; E946-S962 PolarHBondContact N-OG 2.89Å; S960-S962 VanDerWaalsContact C-N 3.29Å; S960-S962 PolarHBondContact O-N 3.35Å; S960-S962 PolarHBondContact OG-N 3.18Å; S962-Y965 PolarHBondContact O-N 3.24Å; S962-W966 WeakPolarHBondContact O-CB 3.2Å; S962-W966 PolarHBondContact O-N 3.26Å
963H81.3Confident79.4Confident19 Ų1945.6 Ų45.69%0.08823%0.229CC..Hα-helixtrans-67.2-40.3-179-71.168000112.3Y958 R959 S960 A961 S967 F982Y958-H963 HydrophobicContact CD1-CB 4.24Å; R959-H963 WeakPolarHBondContact CG-ND1 3.42Å; R959-H963 PolarHBondContact NE-CE1 3.17Å; R959-H963 PolarHBondContact NE-NE2 3.13Å; R959-H963 PolarHBondContact NH2-CE1 2.98Å; R959-H963 VanDerWaalsContact NH2-CE1 3.3Å; R959-H963 PolarHBondContact NH2-NE2 2.81Å; R959-H963 VanDerWaalsContact NH2-NE2 3.14Å; S960-H963 WeakPolarHBondContact O-CB 3.28Å; S960-H963 PolarHBondContact O-N 3.49Å; S960-H963 VanDerWaalsContact O-N 3.09Å; S960-H963 PolarHBondContact OG-N 3.46Å; S960-H963 PolarHBondContact OG-ND1 2.96Å; A961-H963 PolarHBondContact O-N 3.38Å; H963-S967 WeakPolarHBondContact O-CB 3.35Å; H963-S967 PolarHBondContact O-N 3.32Å; H963-F982 HydrophobicContact CB-CZ 4.38Å; H963-F982 VanDerWaalsContact CD2-CB 3.44Å; H963-F982 WeakPolarHBondContact CD2-CB 3.43Å; H963-F982 AromaticContact CD2-CD1 3.22Å; H963-F982 WeakPolarHBondContact CD2-CD1 3.2Å; H963-F982 AromaticContact CD2-CD2 3.74Å; H963-F982 AromaticContact CD2-CE1 3.73Å; H963-F982 AromaticContact CD2-CG 3.22Å; H963-F982 WeakPolarHBondContact CD2-CG 3.44Å; H963-F982 AromaticContact NE2-CD1 3.51Å; H963-F982 AromaticContact NE2-CG 3.71Å; H963-F982 WeakPolarHBondContact O-CZ 3.4Å
964L85.1Confident79.2Confident0 Ų048 Ų480%026%0.259CS..Hα-helixtrans-66.1-46.9175.2177.260.4000110.8L951 W953 Y958 S960 A961 W966 S967 Q968 L1016 L1020L951-L964 HydrophobicContact CD1-CD2 4.44Å; W953-L964 HydrophobicContact CB-CD1 4.09Å; W953-L964 HydrophobicContact CG-CD1 4.11Å; Y958-L964 HydrophobicContact CD1-CB 4.3Å; Y958-L964 HydrophobicContact CD2-CB 4.32Å; Y958-L964 HydrophobicContact CD2-CD1 3.81Å; Y958-L964 HydrophobicContact CE1-CD1 4.3Å; Y958-L964 HydrophobicContact CE2-CD1 3.58Å; Y958-L964 HydrophobicContact CG-CB 4.03Å; Y958-L964 HydrophobicContact CG-CD1 4.26Å; S960-L964 PolarHBondContact O-N 3.05Å; A961-L964 PolarHBondContact O-N 2.83Å; L964-W966 PolarHBondContact O-N 3.49Å; L964-S967 WeakPolarHBondContact O-CB 3.32Å; L964-S967 PolarHBondContact O-N 3.09Å; L964-Q968 HydrophobicContact CD1-CG 4.47Å; L964-Q968 WeakPolarHBondContact O-CG 3.23Å; L964-Q968 PolarHBondContact O-N 2.84Å; L964-L1016 HydrophobicContact CD2-CD2 4.4Å; L964-L1016 HydrophobicContact CD2-CG 4.35Å; L964-L1020 HydrophobicContact CD2-CD1 3.53Å
965Y85.9Confident78.9Confident18 Ų1843.7 Ų43.77%0.07124%0.237CC..Hα-helixtrans-56.8-48.8177.2173.3-99.9000112.2A961 S962 S967 Q968 C969 W1004 A1013 I1014A961-Y965 PolarHBondContact O-N 2.82Å; S962-Y965 PolarHBondContact O-N 3.24Å; Y965-S967 VanDerWaalsContact C-N 3.33Å; Y965-S967 PolarHBondContact O-N 3.06Å; Y965-Q968 PolarHBondContact O-N 2.96Å; Y965-C969 WeakPolarHBondContact O-CB 3.11Å; Y965-C969 PolarHBondContact O-N 2.75Å; Y965-W1004 HydrophobicContact CD2-CH2 4.27Å; Y965-W1004 AromaticContact CE2-CH2 3.8Å; Y965-W1004 HydrophobicContact CE2-CH2 3.8Å; Y965-W1004 AromaticContact CE2-CZ3 3.74Å; Y965-W1004 HydrophobicContact CE2-CZ3 3.74Å; Y965-W1004 AromaticContact CZ-CZ3 3.73Å; Y965-A1013 HydrophobicContact CD2-CB 4.41Å; Y965-I1014 HydrophobicContact CD2-CG1 3.69Å; Y965-I1014 HydrophobicContact CE2-CD1 3.98Å; Y965-I1014 HydrophobicContact CE2-CG1 3.49Å; Y965-I1014 VanDerWaalsContact CE2-CG1 3.49Å
966W80.2Confident78.4Confident40 Ų4042 Ų4215%0.15222%0.224CC..Hα-helixtrans-64.8-36.8178.5-76.9114.6000112.4S962 L964 C969 F970 F982 L988 L992 F1001S962-W966 WeakPolarHBondContact O-CB 3.2Å; S962-W966 PolarHBondContact O-N 3.26Å; L964-W966 PolarHBondContact O-N 3.49Å; W966-C969 HydrophobicContact CE3-CB 4.3Å; W966-C969 WeakPolarHBondContact O-CB 3.31Å; W966-C969 PolarHBondContact O-N 2.68Å; W966-F970 HydrophobicContact CB-CE2 4.47Å; W966-F970 HydrophobicContact CE3-CE2 4.14Å; W966-F970 WeakPolarHBondContact O-CD2 3.43Å; W966-F970 PolarHBondContact O-N 3.45Å; W966-F982 HydrophobicContact CB-CE1 3.97Å; W966-F982 HydrophobicContact CB-CZ 4.01Å; W966-L988 HydrophobicContact CB-CD2 4.12Å; W966-L988 HydrophobicContact CD2-CB 4.04Å; W966-L988 HydrophobicContact CD2-CD1 4.12Å; W966-L988 HydrophobicContact CD2-CD2 3.8Å; W966-L988 HydrophobicContact CD2-CG 4.2Å; W966-L988 HydrophobicContact CE3-CB 4.17Å; W966-L988 HydrophobicContact CE3-CD2 4Å; W966-L988 HydrophobicContact CG-CD1 3.99Å; W966-L988 HydrophobicContact CG-CD2 3.84Å; W966-L988 HydrophobicContact CG-CG 4.39Å; W966-L988 HydrophobicContact CH2-CB 3.94Å; W966-L988 HydrophobicContact CZ2-CB 3.8Å; W966-L988 HydrophobicContact CZ3-CB 4.12Å; W966-L992 HydrophobicContact CH2-CD1 4.14Å; W966-L992 HydrophobicContact CZ3-CD1 3.85Å; W966-L992 HydrophobicContact CZ3-CG 4.49Å; W966-F1001 HydrophobicContact CH2-CE2 4.32Å; W966-F1001 HydrophobicContact CH2-CZ 4.33Å; W966-F1001 HydrophobicContact CZ3-CE2 4.27Å
967S80.7Confident77.6Confident3 Ų340.2 Ų40.22%0.02122%0.22CC..Hα-helixtrans-61-44.2171.9170.60000112.2Y958 H963 L964 Y965 F970 L971Y958-S967 VanDerWaalsContact CE1-CB 3.47Å; Y958-S967 WeakPolarHBondContact CE1-OG 3.35Å; Y958-S967 PolarHBondContact OH-OG 2.85Å; Y958-S967 VanDerWaalsContact OH-OG 3.11Å; H963-S967 WeakPolarHBondContact O-CB 3.35Å; H963-S967 PolarHBondContact O-N 3.32Å; L964-S967 WeakPolarHBondContact O-CB 3.32Å; L964-S967 PolarHBondContact O-N 3.09Å; Y965-S967 VanDerWaalsContact C-N 3.33Å; Y965-S967 PolarHBondContact O-N 3.06Å; S967-F970 PolarHBondContact O-N 2.89Å; S967-L971 WeakPolarHBondContact O-CB 3.31Å; S967-L971 WeakPolarHBondContact O-CD1 3.39Å; S967-L971 VanDerWaalsContact O-CG 3.29Å; S967-L971 WeakPolarHBondContact O-CG 3.27Å; S967-L971 PolarHBondContact O-N 2.87Å
968Q83.7Confident76.5Confident27 Ų2743 Ų4313%0.12623%0.225CC..Hα-helixtrans-63.1-41.6175.6-65.1-52.5-55.900111.9L964 Y965 L971 A972 W1004 A1013L964-Q968 HydrophobicContact CD1-CG 4.47Å; L964-Q968 WeakPolarHBondContact O-CG 3.23Å; L964-Q968 PolarHBondContact O-N 2.84Å; Y965-Q968 PolarHBondContact O-N 2.96Å; Q968-L971 PolarHBondContact O-N 3.03Å; Q968-A972 WeakPolarHBondContact O-CB 3.36Å; Q968-A972 PolarHBondContact O-N 2.75Å; Q968-W1004 HydrophobicContact CB-CH2 4.44Å; Q968-W1004 HydrophobicContact CB-CZ2 4.28Å; Q968-A1013 HydrophobicContact CB-CB 3.94Å; Q968-A1013 HydrophobicContact CG-CB 4.2Å
969C82.8Confident75.3Confident0 Ų048.3 Ų48.30%025%0.251CS..Hα-helixtrans-58.2-53.4175.8176.80000111.6Y965 W966 L971 A972 L973 W1004Y965-C969 WeakPolarHBondContact O-CB 3.11Å; Y965-C969 PolarHBondContact O-N 2.75Å; W966-C969 HydrophobicContact CE3-CB 4.3Å; W966-C969 WeakPolarHBondContact O-CB 3.31Å; W966-C969 PolarHBondContact O-N 2.68Å; C969-L971 VanDerWaalsContact C-N 3.35Å; C969-L971 PolarHBondContact O-N 3.33Å; C969-A972 PolarHBondContact O-N 3.34Å; C969-L973 WeakPolarHBondContact O-CB 3.03Å; C969-L973 WeakPolarHBondContact O-CG 3.46Å; C969-L973 PolarHBondContact O-N 3.08Å; C969-L973 VanDerWaalsContact SG-CD1 3.52Å; C969-W1004 HydrophobicContact CB-CE3 4.1Å; C969-W1004 HydrophobicContact CB-CH2 3.72Å; C969-W1004 HydrophobicContact CB-CZ2 4.42Å; C969-W1004 HydrophobicContact CB-CZ3 3.53Å
970F78.4Confident74.2Confident6 Ų642.8 Ų42.83%0.02623%0.232CC..Hα-helixtrans-65.7-36.2-179-76.6-62.7000113.3W966 S967 L973 G974 S975 I980 L988 V991 L992W966-F970 HydrophobicContact CB-CE2 4.47Å; W966-F970 HydrophobicContact CE3-CE2 4.14Å; W966-F970 WeakPolarHBondContact O-CD2 3.43Å; W966-F970 PolarHBondContact O-N 3.45Å; S967-F970 PolarHBondContact O-N 2.89Å; F970-L973 PolarHBondContact O-N 3.3Å; F970-G974 PolarHBondContact O-N 2.92Å; F970-S975 PolarHBondContact O-N 3.4Å; F970-I980 HydrophobicContact CB-CD1 3.45Å; F970-I980 VanDerWaalsContact CB-CD1 3.45Å; F970-I980 HydrophobicContact CB-CG1 4.38Å; F970-I980 HydrophobicContact CD2-CD1 3.67Å; F970-I980 HydrophobicContact CD2-CG1 4.1Å; F970-I980 HydrophobicContact CD2-CG2 4.2Å; F970-I980 HydrophobicContact CE2-CG2 4.37Å; F970-I980 HydrophobicContact CG-CD1 3.81Å; F970-I980 HydrophobicContact CG-CG1 4.33Å; F970-L988 HydrophobicContact CE2-CD2 3.56Å; F970-L988 HydrophobicContact CZ-CD2 4.01Å; F970-V991 HydrophobicContact CE1-CG1 3.93Å; F970-V991 HydrophobicContact CZ-CB 4.3Å; F970-V991 HydrophobicContact CZ-CG1 3.88Å; F970-L992 HydrophobicContact CE1-CD2 4.26Å
971L79Confident72.5Confident75 Ų7548.3 Ų48.339%0.39326%0.261SS..Hα-helixtrans-60.9-46.5172.3-78.8166.6000111.2S967 Q968 C969 L973 G974 E977S967-L971 WeakPolarHBondContact O-CB 3.31Å; S967-L971 WeakPolarHBondContact O-CD1 3.39Å; S967-L971 VanDerWaalsContact O-CG 3.29Å; S967-L971 WeakPolarHBondContact O-CG 3.27Å; S967-L971 PolarHBondContact O-N 2.87Å; Q968-L971 PolarHBondContact O-N 3.03Å; C969-L971 VanDerWaalsContact C-N 3.35Å; C969-L971 PolarHBondContact O-N 3.33Å; L971-L973 VanDerWaalsContact C-N 3.32Å; L971-L973 PolarHBondContact O-N 3.13Å; L971-G974 PolarHBondContact O-N 3.34Å; L971-E977 HydrophobicContact CD2-CG 4.04Å; L971-E977 HydrophobicContact CG-CG 4.45Å
972A79.2Confident70.9Confident50 Ų5050.4 Ų50.441%0.41327%0.27SS..Hα-helixtrans-68-31178.300000113.2Q968 C969 G974 W1004Q968-A972 WeakPolarHBondContact O-CB 3.36Å; Q968-A972 PolarHBondContact O-N 2.75Å; C969-A972 PolarHBondContact O-N 3.34Å; A972-G974 VanDerWaalsContact C-N 3.3Å; A972-W1004 VanDerWaalsContact CB-CD1 3.47Å; A972-W1004 HydrophobicContact CB-CD2 4.39Å; A972-W1004 HydrophobicContact CB-CG 4.22Å; A972-W1004 HydrophobicContact CB-CZ2 4.41Å
973L78.5Confident69Low8 Ų853.2 Ų53.24%0.04229%0.29CS..Hα-helixtrans-80.4-9.9176.3-65.9173.8000113.3C969 F970 L971 L992 C997 R1000 F1001C969-L973 WeakPolarHBondContact O-CB 3.03Å; C969-L973 WeakPolarHBondContact O-CG 3.46Å; C969-L973 PolarHBondContact O-N 3.08Å; C969-L973 VanDerWaalsContact SG-CD1 3.52Å; F970-L973 PolarHBondContact O-N 3.3Å; L971-L973 VanDerWaalsContact C-N 3.32Å; L971-L973 PolarHBondContact O-N 3.13Å; L973-L992 HydrophobicContact CD1-CD2 3.61Å; L973-C997 HydrophobicContact CD1-CB 4.39Å; L973-R1000 HydrophobicContact CD2-CB 3.47Å; L973-R1000 VanDerWaalsContact CD2-CB 3.47Å; L973-R1000 PolarHBondContact O-NH1 2.91Å; L973-R1000 PolarHBondContact O-NH2 3.43Å; L973-F1001 HydrophobicContact CD1-CB 4.22Å
974G71.9Confident67.1Low66 Ų6659.6 Ų59.668%0.6832%0.32SS*.THydrogen-bonded Turntrans87.826.1175.400000114.9F970 L971 A972F970-G974 PolarHBondContact O-N 2.92Å; L971-G974 PolarHBondContact O-N 3.34Å; A972-G974 VanDerWaalsContact C-N 3.3Å
975S66.2Low65.1Low20 Ų2068 Ų6814%0.1437%0.365CS..  trans-88.2145.5170-68.40000111.2F970 K995F970-S975 PolarHBondContact O-N 3.4Å; S975-K995 PolarHBondContact OG-NZ 3.11Å; S975-K995 VanDerWaalsContact OG-NZ 3.07Å
976E60.6Low63.3Low146 Ų14672.4 Ų72.468%0.68239%0.389SS*.  trans-70.2139.8177.8-66.4-167.1169.100111.5E978 E979E976-E978 PolarHBondContact O-N 3.31Å; E976-E979 PolarHBondContact O-N 3.22Å
977E54.1Low62.2Low65 Ų6576.7 Ų76.730%0.30441%0.411SS..THydrogen-bonded Turntrans-64.8-12-172.3-134.8-177.1177.200114.1R956 L971R956-E977 IonicContact CZ-OE1 3.76Å; R956-E977 IonicContact CZ-OE2 2.68Å; R956-E977 IonicContact NE-OE1 3.13Å; R956-E977 PolarHBondContact NE-OE1 2.51Å; R956-E977 IonicContact NE-OE2 2.65Å; R956-E977 IonicContact NH1-OE1 3.41Å; R956-E977 IonicContact NH1-OE2 3.6Å; R956-E977 IonicContact NH2-OE1 3.66Å; R956-E977 IonicContact NH2-OE2 3.75Å; R956-E977 PolarHBondContact NH2-OE2 2.95Å; L971-E977 HydrophobicContact CD2-CG 4.04Å; L971-E977 HydrophobicContact CG-CG 4.45Å
978E53.6Low61.4Low171 Ų17178.5 Ų78.580%0.79942%0.42SS*.THydrogen-bonded Turntrans-91.2-17.6-178.7-68.7-176.316900113.6E976 I980E976-E978 PolarHBondContact O-N 3.31Å; E978-I980 PolarHBondContact O-N 3.34Å
979E52.2Low60.5Low130 Ų13081.8 Ų81.861%0.60744%0.435SS*.SBendtrans-77.9-7.8178.6-77.3-171.3145.900113.6E976 D981 K995E976-E979 PolarHBondContact O-N 3.22Å; E979-D981 PolarHBondContact O-N 3.31Å; E979-K995 IonicContact OE2-NZ 2.81Å; E979-K995 PolarHBondContact OE2-NZ 2.72Å
980I53.5Low59.8Low32 Ų3285.4 Ų85.416%0.16446%0.455CS..  trans-101.262-171.2-38.8167.1000109.7F970 E978 F982F970-I980 HydrophobicContact CB-CD1 3.45Å; F970-I980 VanDerWaalsContact CB-CD1 3.45Å; F970-I980 HydrophobicContact CB-CG1 4.38Å; F970-I980 HydrophobicContact CD2-CD1 3.67Å; F970-I980 HydrophobicContact CD2-CG1 4.1Å; F970-I980 HydrophobicContact CD2-CG2 4.2Å; F970-I980 HydrophobicContact CE2-CG2 4.37Å; F970-I980 HydrophobicContact CG-CD1 3.81Å; F970-I980 HydrophobicContact CG-CG1 4.33Å; E978-I980 PolarHBondContact O-N 3.34Å; I980-F982 HydrophobicContact CB-CE2 4.09Å; I980-F982 HydrophobicContact CB-CZ 4.48Å; I980-F982 HydrophobicContact CG2-CD1 4.24Å; I980-F982 HydrophobicContact CG2-CD2 3.76Å; I980-F982 HydrophobicContact CG2-CE1 3.78Å; I980-F982 HydrophobicContact CG2-CE2 3.25Å; I980-F982 HydrophobicContact CG2-CG 4.24Å; I980-F982 HydrophobicContact CG2-CZ 3.27Å; I980-F982 VanDerWaalsContact O-CD2 3.22Å; I980-F982 WeakPolarHBondContact O-CD2 3.23Å; I980-F982 PolarHBondContact O-N 2.72Å
981D47.8Very low59.4Low119 Ų11987 Ų8764%0.63646%0.464SS*.  trans-78.697.5170.1-168.5-8.8000109.3E979 S983E979-D981 PolarHBondContact O-N 3.31Å; D981-S983 VanDerWaalsContact CG-OG 3.23Å; D981-S983 PolarHBondContact O-N 3.43Å; D981-S983 VanDerWaalsContact OD1-CB 3.29Å; D981-S983 WeakPolarHBondContact OD1-CB 3.5Å; D981-S983 PolarHBondContact OD1-N 3.15Å; D981-S983 PolarHBondContact OD1-OG 3.45Å; D981-S983 PolarHBondContact OD2-OG 2.96Å
982F52.4Low58.9Low45 Ų4583.4 Ų83.420%0.19745%0.446CS..THydrogen-bonded Turntrans-72.112.3-175.2-71.2-86000114.6R959 H963 W966 I980 Q984 L988R959-F982 PolarHBondContact NH1-O 2.95Å; H963-F982 HydrophobicContact CB-CZ 4.38Å; H963-F982 VanDerWaalsContact CD2-CB 3.44Å; H963-F982 WeakPolarHBondContact CD2-CB 3.43Å; H963-F982 AromaticContact CD2-CD1 3.22Å; H963-F982 WeakPolarHBondContact CD2-CD1 3.2Å; H963-F982 AromaticContact CD2-CD2 3.74Å; H963-F982 AromaticContact CD2-CE1 3.73Å; H963-F982 AromaticContact CD2-CG 3.22Å; H963-F982 WeakPolarHBondContact CD2-CG 3.44Å; H963-F982 AromaticContact NE2-CD1 3.51Å; H963-F982 AromaticContact NE2-CG 3.71Å; H963-F982 WeakPolarHBondContact O-CZ 3.4Å; W966-F982 HydrophobicContact CB-CE1 3.97Å; W966-F982 HydrophobicContact CB-CZ 4.01Å; I980-F982 HydrophobicContact CB-CE2 4.09Å; I980-F982 HydrophobicContact CB-CZ 4.48Å; I980-F982 HydrophobicContact CG2-CD1 4.24Å; I980-F982 HydrophobicContact CG2-CD2 3.76Å; I980-F982 HydrophobicContact CG2-CE1 3.78Å; I980-F982 HydrophobicContact CG2-CE2 3.25Å; I980-F982 HydrophobicContact CG2-CG 4.24Å; I980-F982 HydrophobicContact CG2-CZ 3.27Å; I980-F982 VanDerWaalsContact O-CD2 3.22Å; I980-F982 WeakPolarHBondContact O-CD2 3.23Å; I980-F982 PolarHBondContact O-N 2.72Å; F982-Q984 VanDerWaalsContact C-N 3.31Å; F982-Q984 PolarHBondContact O-N 3.18Å; F982-L988 HydrophobicContact CE1-CD2 4.33Å
983S41.5Very low58.7Low78 Ų7888.3 Ų88.355%0.54545%0.454SS..THydrogen-bonded Turntrans-75.9-4.5-170.2550000115.7D981D981-S983 VanDerWaalsContact CG-OG 3.23Å; D981-S983 PolarHBondContact O-N 3.43Å; D981-S983 VanDerWaalsContact OD1-CB 3.29Å; D981-S983 WeakPolarHBondContact OD1-CB 3.5Å; D981-S983 PolarHBondContact OD1-N 3.15Å; D981-S983 PolarHBondContact OD1-OG 3.45Å; D981-S983 PolarHBondContact OD2-OG 2.96Å
984Q41.7Very low58.4Low152 Ų15293.8 Ų93.871%0.7149%0.487SS*.SBendtrans-137152.8179.9-63.2-172.92.800112.5F982 L986F982-Q984 VanDerWaalsContact C-N 3.31Å; F982-Q984 PolarHBondContact O-N 3.18Å; Q984-L986 PolarHBondContact O-N 2.71Å
985N43.4Very low58.4Low178 Ų17894.2 Ų94.295%0.95247%0.471SS*.  trans-53.549.2-179.8-77.7-36.4000116
986L46.8Very low58.8Low109 Ų109100.4 Ų100.457%0.57150%0.502SS*.  trans-81.5122.9178.6-84.6137.1000110.2Q984 L988 V991Q984-L986 PolarHBondContact O-N 2.71Å; L986-L988 PolarHBondContact O-N 2.78Å; L986-L988 VanDerWaalsContact O-N 3.08Å; L986-V991 HydrophobicContact CD2-CG2 4.29Å
987Q58.1Low59.5Low131 Ų13194.2 Ų94.261%0.61248%0.475SS*.  trans-63.8104.8161.7-71-116.7-21.800107.8E989 D990Q987-E989 PolarHBondContact O-N 3.49Å; Q987-E989 VanDerWaalsContact O-N 3.16Å; Q987-D990 HydrophobicContact CB-CB 4.43Å; Q987-D990 WeakPolarHBondContact CB-OD2 3.35Å; Q987-D990 WeakPolarHBondContact O-CB 3.41Å; Q987-D990 PolarHBondContact O-N 3.27Å
988L64.7Low60.5Low41 Ų4194.3 Ų94.322%0.21548%0.477CS..Hα-helixtrans-60.8-23.7-175.7-80131.4000113.6W966 F970 F982 L986 D990 V991 L992W966-L988 HydrophobicContact CB-CD2 4.12Å; W966-L988 HydrophobicContact CD2-CB 4.04Å; W966-L988 HydrophobicContact CD2-CD1 4.12Å; W966-L988 HydrophobicContact CD2-CD2 3.8Å; W966-L988 HydrophobicContact CD2-CG 4.2Å; W966-L988 HydrophobicContact CE3-CB 4.17Å; W966-L988 HydrophobicContact CE3-CD2 4Å; W966-L988 HydrophobicContact CG-CD1 3.99Å; W966-L988 HydrophobicContact CG-CD2 3.84Å; W966-L988 HydrophobicContact CG-CG 4.39Å; W966-L988 HydrophobicContact CH2-CB 3.94Å; W966-L988 HydrophobicContact CZ2-CB 3.8Å; W966-L988 HydrophobicContact CZ3-CB 4.12Å; F970-L988 HydrophobicContact CE2-CD2 3.56Å; F970-L988 HydrophobicContact CZ-CD2 4.01Å; F982-L988 HydrophobicContact CE1-CD2 4.33Å; L986-L988 PolarHBondContact O-N 2.78Å; L986-L988 VanDerWaalsContact O-N 3.08Å; L988-D990 VanDerWaalsContact C-N 3.32Å; L988-V991 WeakPolarHBondContact O-CB 3.48Å; L988-V991 PolarHBondContact O-N 3.2Å; L988-L992 PolarHBondContact O-N 3.36Å
989E64.9Low61.5Low96 Ų9692.6 Ų92.645%0.44947%0.473SS..Hα-helixtrans-64-34.4169.4-72.4-168.1151.400113Q987 V991 L992 R993Q987-E989 PolarHBondContact O-N 3.49Å; Q987-E989 VanDerWaalsContact O-N 3.16Å; E989-V991 VanDerWaalsContact C-N 3.28Å; E989-V991 PolarHBondContact O-N 3.02Å; E989-L992 PolarHBondContact O-N 3.33Å; E989-R993 WeakPolarHBondContact O-CG 3.01Å; E989-R993 PolarHBondContact O-N 3.12Å
990D67.3Low62.9Low76 Ų7693 Ų9341%0.40647%0.469SS..Hα-helixtrans-66.8-33.9176.4-71.4-30000110.8Q987 L988 R993 T994Q987-D990 HydrophobicContact CB-CB 4.43Å; Q987-D990 WeakPolarHBondContact CB-OD2 3.35Å; Q987-D990 WeakPolarHBondContact O-CB 3.41Å; Q987-D990 PolarHBondContact O-N 3.27Å; L988-D990 VanDerWaalsContact C-N 3.32Å; D990-R993 PolarHBondContact O-N 3.11Å; D990-T994 WeakPolarHBondContact O-CB 3.48Å; D990-T994 PolarHBondContact O-N 3.4Å; D990-T994 PolarHBondContact O-OG1 3.04Å
991V69.1Low64.2Low38 Ų3892.4 Ų92.423%0.2347%0.465CS..Hα-helixtrans-64.6-43.7173.9-177.10000110.8F970 L986 L988 E989 T994 K995F970-V991 HydrophobicContact CE1-CG1 3.93Å; F970-V991 HydrophobicContact CZ-CB 4.3Å; F970-V991 HydrophobicContact CZ-CG1 3.88Å; L986-V991 HydrophobicContact CD2-CG2 4.29Å; L988-V991 WeakPolarHBondContact O-CB 3.48Å; L988-V991 PolarHBondContact O-N 3.2Å; E989-V991 VanDerWaalsContact C-N 3.28Å; E989-V991 PolarHBondContact O-N 3.02Å; V991-T994 PolarHBondContact O-N 2.92Å; V991-K995 HydrophobicContact CG1-CD 4.44Å; V991-K995 WeakPolarHBondContact O-CB 3.5Å; V991-K995 WeakPolarHBondContact O-CG 3.17Å; V991-K995 PolarHBondContact O-N 3.49Å
992L70Confident65.6Low1 Ų189.4 Ų89.41%0.00545%0.451CS..Hα-helixtrans-64.6-39.8175.9-71.4174000112.8W966 F970 L973 L988 E989 K995 N996 C997 L998 F1001W966-L992 HydrophobicContact CH2-CD1 4.14Å; W966-L992 HydrophobicContact CZ3-CD1 3.85Å; W966-L992 HydrophobicContact CZ3-CG 4.49Å; F970-L992 HydrophobicContact CE1-CD2 4.26Å; L973-L992 HydrophobicContact CD1-CD2 3.61Å; L988-L992 PolarHBondContact O-N 3.36Å; E989-L992 PolarHBondContact O-N 3.33Å; L992-K995 PolarHBondContact O-N 3.32Å; L992-N996 PolarHBondContact O-N 3.28Å; L992-N996 VanDerWaalsContact O-N 3.16Å; L992-C997 HydrophobicContact CD2-CB 3.94Å; L992-C997 PolarHBondContact O-N 3.43Å; L992-L998 HydrophobicContact CB-CD1 3.91Å; L992-F1001 HydrophobicContact CD1-CB 3.91Å; L992-F1001 HydrophobicContact CD1-CD1 3.8Å; L992-F1001 HydrophobicContact CD1-CD2 4Å; L992-F1001 HydrophobicContact CD1-CE1 4.3Å; L992-F1001 HydrophobicContact CD1-CE2 4.48Å; L992-F1001 HydrophobicContact CD1-CG 3.61Å; L992-F1001 HydrophobicContact CD2-CB 4.19Å
993R73.4Confident66.9Low153 Ų15390.4 Ų90.458%0.57747%0.468SS*.Hα-helixtrans-63.5-46.9173.6-76.1-178-175173.44.4111.3E989 D990 K995 N996 L998E989-R993 WeakPolarHBondContact O-CG 3.01Å; E989-R993 PolarHBondContact O-N 3.12Å; D990-R993 PolarHBondContact O-N 3.11Å; R993-K995 PolarHBondContact O-N 2.86Å; R993-N996 PolarHBondContact O-N 3.19Å; R993-N996 VanDerWaalsContact O-N 3.14Å; R993-L998 HydrophobicContact CG-CD1 4.01Å
994T72.5Confident69Low122 Ų12287.6 Ų87.675%0.74845%0.445SS*.Hα-helixtrans-62.9-32.3-179.9-47.70000111.4D990 V991D990-T994 WeakPolarHBondContact O-CB 3.48Å; D990-T994 PolarHBondContact O-N 3.4Å; D990-T994 PolarHBondContact O-OG1 3.04Å; V991-T994 PolarHBondContact O-N 2.92Å
995K71.6Confident70.8Confident76 Ų7683.3 Ų83.333%0.3342%0.423SS..THydrogen-bonded Turntrans-90.53.6177.9-70.9-169.7166.1-176.40115S975 E979 V991 L992 R993 C997S975-K995 PolarHBondContact OG-NZ 3.11Å; S975-K995 VanDerWaalsContact OG-NZ 3.07Å; E979-K995 IonicContact OE2-NZ 2.81Å; E979-K995 PolarHBondContact OE2-NZ 2.72Å; V991-K995 HydrophobicContact CG1-CD 4.44Å; V991-K995 WeakPolarHBondContact O-CB 3.5Å; V991-K995 WeakPolarHBondContact O-CG 3.17Å; V991-K995 PolarHBondContact O-N 3.49Å; L992-K995 PolarHBondContact O-N 3.32Å; R993-K995 PolarHBondContact O-N 2.86Å; K995-C997 HydrophobicContact CB-CB 4.39Å; K995-C997 PolarHBondContact O-N 2.94Å; K995-C997 VanDerWaalsContact O-N 3.14Å; K995-C997 PolarHBondContact O-SG 2.89Å
996N75.9Confident72.2Confident150 Ų15078.1 Ų78.180%0.80240%0.395SS*.THydrogen-bonded Turntrans52.233.2-174.9-97.1-6.4000113.3L992 R993L992-N996 PolarHBondContact O-N 3.28Å; L992-N996 VanDerWaalsContact O-N 3.16Å; R993-N996 PolarHBondContact O-N 3.19Å; R993-N996 VanDerWaalsContact O-N 3.14Å
997C74.1Confident73.8Confident16 Ų1674.2 Ų74.211%0.10838%0.377CS..  trans-103.24.8-176-66.10000113L973 L992 K995 D999 R1000 F1001L973-C997 HydrophobicContact CD1-CB 4.39Å; L992-C997 HydrophobicContact CD2-CB 3.94Å; L992-C997 PolarHBondContact O-N 3.43Å; K995-C997 HydrophobicContact CB-CB 4.39Å; K995-C997 PolarHBondContact O-N 2.94Å; K995-C997 VanDerWaalsContact O-N 3.14Å; K995-C997 PolarHBondContact O-SG 2.89Å; C997-D999 PolarHBondContact O-N 2.94Å; C997-R1000 PolarHBondContact O-N 2.99Å; C997-F1001 WeakPolarHBondContact O-CB 3.3Å; C997-F1001 PolarHBondContact O-N 2.87Å
998L75.3Confident74.4Confident66 Ų6672.3 Ų72.335%0.34637%0.368SS..Hα-helixtrans-60.3-44.5-172.4-14983.2000112.5L992 R993 R1000 F1001 V1002L992-L998 HydrophobicContact CB-CD1 3.91Å; R993-L998 HydrophobicContact CG-CD1 4.01Å; L998-R1000 PolarHBondContact O-N 3.38Å; L998-F1001 WeakPolarHBondContact O-CB 3.37Å; L998-F1001 PolarHBondContact O-N 3.46Å; L998-V1002 WeakPolarHBondContact O-CG2 3.23Å; L998-V1002 PolarHBondContact O-N 3.28Å
999D75.5Confident74.9Confident135 Ų13576 Ų7672%0.72238%0.384SS*.Hα-helixtrans-66.4-39.9179.5-59.5-28000111.8C997 F1001 V1002 A1003C997-D999 PolarHBondContact O-N 2.94Å; D999-F1001 VanDerWaalsContact C-N 3.32Å; D999-V1002 PolarHBondContact O-N 2.96Å; D999-A1003 PolarHBondContact O-N 3.02Å
1000R81Confident75.5Confident139 Ų13971.4 Ų71.453%0.52536%0.363SS..Hα-helixtrans-67.2-35.7176.2-65.9179.568.8-156.6-3.2111.3L973 C997 L998 W1004L973-R1000 HydrophobicContact CD2-CB 3.47Å; L973-R1000 VanDerWaalsContact CD2-CB 3.47Å; L973-R1000 PolarHBondContact O-NH1 2.91Å; L973-R1000 PolarHBondContact O-NH2 3.43Å; C997-R1000 PolarHBondContact O-N 2.99Å; L998-R1000 PolarHBondContact O-N 3.38Å; R1000-W1004 VanDerWaalsContact O-CB 3.25Å; R1000-W1004 WeakPolarHBondContact O-CB 3.17Å; R1000-W1004 PolarHBondContact O-N 3.12Å
1001F81Confident76Confident19 Ų1972 Ų728%0.08336%0.361CS..Hα-helixtrans-64.3-45.7173.6163.8-108.1000111.6W966 L973 L992 C997 L998 D999 A1003 W1004 R1005W966-F1001 HydrophobicContact CH2-CE2 4.32Å; W966-F1001 HydrophobicContact CH2-CZ 4.33Å; W966-F1001 HydrophobicContact CZ3-CE2 4.27Å; L973-F1001 HydrophobicContact CD1-CB 4.22Å; L992-F1001 HydrophobicContact CD1-CB 3.91Å; L992-F1001 HydrophobicContact CD1-CD1 3.8Å; L992-F1001 HydrophobicContact CD1-CD2 4Å; L992-F1001 HydrophobicContact CD1-CE1 4.3Å; L992-F1001 HydrophobicContact CD1-CE2 4.48Å; L992-F1001 HydrophobicContact CD1-CG 3.61Å; L992-F1001 HydrophobicContact CD2-CB 4.19Å; C997-F1001 WeakPolarHBondContact O-CB 3.3Å; C997-F1001 PolarHBondContact O-N 2.87Å; L998-F1001 WeakPolarHBondContact O-CB 3.37Å; L998-F1001 PolarHBondContact O-N 3.46Å; D999-F1001 VanDerWaalsContact C-N 3.32Å; F1001-A1003 VanDerWaalsContact C-N 3.32Å; F1001-A1003 PolarHBondContact O-N 3.5Å; F1001-W1004 HydrophobicContact CD2-CE3 4.39Å; F1001-W1004 PolarHBondContact O-N 3.44Å; F1001-R1005 HydrophobicContact CE2-CB 4.44Å; F1001-R1005 WeakPolarHBondContact O-CB 3.3Å; F1001-R1005 PolarHBondContact O-N 2.98Å
1002V78.4Confident76.3Confident57 Ų5770.7 Ų70.735%0.34536%0.355SS..Hα-helixtrans-59-46176.5172.30000110.5L998 D999 D1006L998-V1002 WeakPolarHBondContact O-CG2 3.23Å; L998-V1002 PolarHBondContact O-N 3.28Å; D999-V1002 PolarHBondContact O-N 2.96Å; V1002-D1006 PolarHBondContact O-N 2.96Å
1003A78.7Confident76.9Confident66 Ų6670.7 Ų70.755%0.54536%0.355SS..Hα-helixtrans-64.1-41.517700000113.1D999 F1001 S1007D999-A1003 PolarHBondContact O-N 3.02Å; F1001-A1003 VanDerWaalsContact C-N 3.32Å; F1001-A1003 PolarHBondContact O-N 3.5Å; A1003-S1007 PolarHBondContact O-N 3.08Å
1004W85.1Confident77.4Confident19 Ų1963.4 Ų63.47%0.07233%0.327CS..Hα-helixtrans-68.6-42.1178.3175.978.3000112.4Y965 Q968 C969 A972 R1000 F1001 D1006 S1007 G1010 A1013Y965-W1004 HydrophobicContact CD2-CH2 4.27Å; Y965-W1004 AromaticContact CE2-CH2 3.8Å; Y965-W1004 HydrophobicContact CE2-CH2 3.8Å; Y965-W1004 AromaticContact CE2-CZ3 3.74Å; Y965-W1004 HydrophobicContact CE2-CZ3 3.74Å; Y965-W1004 AromaticContact CZ-CZ3 3.73Å; Q968-W1004 HydrophobicContact CB-CH2 4.44Å; Q968-W1004 HydrophobicContact CB-CZ2 4.28Å; C969-W1004 HydrophobicContact CB-CE3 4.1Å; C969-W1004 HydrophobicContact CB-CH2 3.72Å; C969-W1004 HydrophobicContact CB-CZ2 4.42Å; C969-W1004 HydrophobicContact CB-CZ3 3.53Å; A972-W1004 VanDerWaalsContact CB-CD1 3.47Å; A972-W1004 HydrophobicContact CB-CD2 4.39Å; A972-W1004 HydrophobicContact CB-CG 4.22Å; A972-W1004 HydrophobicContact CB-CZ2 4.41Å; R1000-W1004 VanDerWaalsContact O-CB 3.25Å; R1000-W1004 WeakPolarHBondContact O-CB 3.17Å; R1000-W1004 PolarHBondContact O-N 3.12Å; F1001-W1004 HydrophobicContact CD2-CE3 4.39Å; F1001-W1004 PolarHBondContact O-N 3.44Å; W1004-D1006 PolarHBondContact O-N 3.22Å; W1004-S1007 WeakPolarHBondContact O-CB 3.16Å; W1004-S1007 PolarHBondContact O-N 3.44Å; W1004-S1007 PolarHBondContact O-OG 3.05Å; W1004-G1010 WeakPolarHBondContact O-CA 3.32Å; W1004-G1010 PolarHBondContact O-N 3.38Å; W1004-A1013 HydrophobicContact CH2-CB 3.94Å; W1004-A1013 HydrophobicContact CZ2-CB 3.93Å
1005R79.9Confident77.8Confident62 Ų6260.1 Ų60.123%0.23430%0.304CS..Hα-helixtrans-55.5-41.7178.2170-177.872.5179.5-0.8112F1001 Y1049F1001-R1005 HydrophobicContact CE2-CB 4.44Å; F1001-R1005 WeakPolarHBondContact O-CB 3.3Å; F1001-R1005 PolarHBondContact O-N 2.98Å; R1005-Y1049 HydrophobicContact CG-CD1 4.07Å; R1005-Y1049 HydrophobicContact CG-CD2 4.27Å; R1005-Y1049 HydrophobicContact CG-CE1 3.49Å; R1005-Y1049 VanDerWaalsContact CG-CE1 3.49Å; R1005-Y1049 HydrophobicContact CG-CE2 3.72Å; R1005-Y1049 HydrophobicContact CG-CG 4.44Å; R1005-Y1049 PolarHBondContact O-OH 3.29Å
1006D73.3Confident78.3Confident69 Ų6956.7 Ų56.737%0.36929%0.289SS..THydrogen-bonded Turntrans-86.6-5.3-179.8-67.4-47.5000112.9V1002 W1004 R1089V1002-D1006 PolarHBondContact O-N 2.96Å; W1004-D1006 PolarHBondContact O-N 3.22Å; D1006-R1089 IonicContact OD1-NH1 3.63Å
1007S79.4Confident78.8Confident26 Ų2649.6 Ų49.618%0.18225%0.251CS..SBendtrans-76.6164.9176.192.80000112.4A1003 W1004 E1009 G1010 K1011A1003-S1007 PolarHBondContact O-N 3.08Å; W1004-S1007 WeakPolarHBondContact O-CB 3.16Å; W1004-S1007 PolarHBondContact O-N 3.44Å; W1004-S1007 PolarHBondContact O-OG 3.05Å; S1007-E1009 PolarHBondContact O-N 3.32Å; S1007-E1009 PolarHBondContact OG-N 3.48Å; S1007-E1009 VanDerWaalsContact OG-N 3.09Å; S1007-E1009 PolarHBondContact OG-OE2 3.02Å; S1007-G1010 PolarHBondContact O-N 2.97Å; S1007-G1010 PolarHBondContact OG-N 3.49Å; S1007-K1011 WeakPolarHBondContact O-CG 3.38Å; S1007-K1011 PolarHBondContact O-N 3.18Å; S1007-K1011 VanDerWaalsContact O-N 3.09Å
1008E72.5Confident79.3Confident92 Ų9248.9 Ų48.943%0.4325%0.246SC..Hα-helixtrans-60.1-29172.2-69.2-57.8119.700112.3K1011 A1012E1008-K1011 IonicContact OE1-NZ 3.44Å; E1008-K1011 PolarHBondContact OE1-NZ 3.03Å; E1008-A1012 WeakPolarHBondContact O-CB 3.38Å; E1008-A1012 PolarHBondContact O-N 3.14Å
1009E74.2Confident79.5Confident118 Ų11847.1 Ų47.155%0.55124%0.237SC*.Hα-helixtrans-70.9-42175.5-61.5122.216700112.1S1007 A1012 A1013S1007-E1009 PolarHBondContact O-N 3.32Å; S1007-E1009 PolarHBondContact OG-N 3.48Å; S1007-E1009 VanDerWaalsContact OG-N 3.09Å; S1007-E1009 PolarHBondContact OG-OE2 3.02Å; E1009-A1012 PolarHBondContact O-N 3.13Å; E1009-A1013 WeakPolarHBondContact O-CB 3.2Å; E1009-A1013 PolarHBondContact O-N 3.23Å
1010G77.5Confident79.9Confident0 Ų041.7 Ų41.70%021%0.208CC..Hα-helixtrans-62.5-44.7175.600000112.1W1004 S1007 A1013 I1014W1004-G1010 WeakPolarHBondContact O-CA 3.32Å; W1004-G1010 PolarHBondContact O-N 3.38Å; S1007-G1010 PolarHBondContact O-N 2.97Å; S1007-G1010 PolarHBondContact OG-N 3.49Å; G1010-A1013 PolarHBondContact O-N 3.03Å; G1010-I1014 WeakPolarHBondContact O-CG1 3.44Å; G1010-I1014 PolarHBondContact O-N 2.71Å
1011K77.2Confident80Confident87 Ų8735.1 Ų35.138%0.37818%0.183SC..Hα-helixtrans-62.4-44.7174.6-65.1175.6-163.5165.80111.9S1007 E1008 A1013 I1014 Q1015S1007-K1011 WeakPolarHBondContact O-CG 3.38Å; S1007-K1011 PolarHBondContact O-N 3.18Å; S1007-K1011 VanDerWaalsContact O-N 3.09Å; E1008-K1011 IonicContact OE1-NZ 3.44Å; E1008-K1011 PolarHBondContact OE1-NZ 3.03Å; K1011-A1013 VanDerWaalsContact C-N 3.33Å; K1011-A1013 PolarHBondContact O-N 3.45Å; K1011-I1014 PolarHBondContact O-N 2.66Å; K1011-Q1015 PolarHBondContact O-N 2.69Å
1012A76.2Confident79.8Confident12 Ų1234.3 Ų34.310%0.09918%0.18CC..Hα-helixtrans-64.5-35.5178.200000112.6E1008 E1009 I1014 Q1015 L1016 L1133 L1137E1008-A1012 WeakPolarHBondContact O-CB 3.38Å; E1008-A1012 PolarHBondContact O-N 3.14Å; E1009-A1012 PolarHBondContact O-N 3.13Å; A1012-I1014 VanDerWaalsContact C-N 3.35Å; A1012-Q1015 PolarHBondContact O-N 2.95Å; A1012-L1016 WeakPolarHBondContact O-CB 3.45Å; A1012-L1016 PolarHBondContact O-N 3.29Å; A1012-L1133 HydrophobicContact CB-CD2 3.98Å; A1012-L1137 HydrophobicContact CB-CD1 4.08Å
1013A82.6Confident79.5Confident0 Ų036.4 Ų36.40%019%0.192CC..Hα-helixtrans-63.9-39.5175.500000112.1Y965 Q968 W1004 E1009 G1010 K1011 C1017Y965-A1013 HydrophobicContact CD2-CB 4.41Å; Q968-A1013 HydrophobicContact CB-CB 3.94Å; Q968-A1013 HydrophobicContact CG-CB 4.2Å; W1004-A1013 HydrophobicContact CH2-CB 3.94Å; W1004-A1013 HydrophobicContact CZ2-CB 3.93Å; E1009-A1013 WeakPolarHBondContact O-CB 3.2Å; E1009-A1013 PolarHBondContact O-N 3.23Å; G1010-A1013 PolarHBondContact O-N 3.03Å; K1011-A1013 VanDerWaalsContact C-N 3.33Å; K1011-A1013 PolarHBondContact O-N 3.45Å; A1013-C1017 PolarHBondContact O-N 3.09Å; A1013-C1017 PolarHBondContact O-SG 3.4Å
1014I83.4Confident79.1Confident1 Ų137.1 Ų37.11%0.00519%0.193CC..Hα-helixtrans-69.2-46.6176.4-59.1168.7000110.1Y965 G1010 K1011 A1012 L1016 C1017 V1018 Y1049 L1050 L1091 W1092 L1095Y965-I1014 HydrophobicContact CD2-CG1 3.69Å; Y965-I1014 HydrophobicContact CE2-CD1 3.98Å; Y965-I1014 HydrophobicContact CE2-CG1 3.49Å; Y965-I1014 VanDerWaalsContact CE2-CG1 3.49Å; G1010-I1014 WeakPolarHBondContact O-CG1 3.44Å; G1010-I1014 PolarHBondContact O-N 2.71Å; K1011-I1014 PolarHBondContact O-N 2.66Å; A1012-I1014 VanDerWaalsContact C-N 3.35Å; I1014-L1016 VanDerWaalsContact C-N 3.3Å; I1014-L1016 PolarHBondContact O-N 2.88Å; I1014-C1017 WeakPolarHBondContact O-CB 3.33Å; I1014-C1017 PolarHBondContact O-N 3.49Å; I1014-V1018 HydrophobicContact CG2-CG2 4.48Å; I1014-V1018 WeakPolarHBondContact O-CG2 3.32Å; I1014-V1018 PolarHBondContact O-N 3.11Å; I1014-Y1049 HydrophobicContact CD1-CE1 3.84Å; I1014-L1050 HydrophobicContact CD1-CD2 3.87Å; I1014-L1050 HydrophobicContact CG1-CD2 4.49Å; I1014-L1050 HydrophobicContact CG2-CD2 4.41Å; I1014-L1091 HydrophobicContact CD1-CD2 3.67Å; I1014-W1092 HydrophobicContact CG2-CE3 4.07Å; I1014-W1092 HydrophobicContact CG2-CZ3 4.18Å; I1014-L1095 HydrophobicContact CB-CD1 4.13Å; I1014-L1095 HydrophobicContact CG2-CD1 3.29Å
1015Q80.3Confident78.5Confident53 Ų5337.5 Ų37.525%0.24820%0.196CC..Hα-helixtrans-54-47.4176.1-172.572.839.400111.4K1011 A1012 C1017 V1018 D1019K1011-Q1015 PolarHBondContact O-N 2.69Å; A1012-Q1015 PolarHBondContact O-N 2.95Å; Q1015-C1017 VanDerWaalsContact C-N 3.3Å; Q1015-C1017 PolarHBondContact O-N 3.05Å; Q1015-V1018 PolarHBondContact O-N 3.34Å; Q1015-D1019 PolarHBondContact NE2-OD1 3.44Å; Q1015-D1019 WeakPolarHBondContact O-CB 3.46Å; Q1015-D1019 PolarHBondContact O-N 3.09Å
1016L83.4Confident78.2Confident4 Ų439.8 Ų39.82%0.02121%0.21CC..Hα-helixtrans-55.4-44.1176171.367000112.2W953 L964 A1012 I1014 L1020 L1133 L1137W953-L1016 HydrophobicContact CD2-CD1 4.14Å; W953-L1016 HydrophobicContact CD2-CD2 4.04Å; W953-L1016 HydrophobicContact CE3-CD1 3.71Å; W953-L1016 HydrophobicContact CE3-CD2 4.46Å; W953-L1016 HydrophobicContact CH2-CD1 3.62Å; W953-L1016 HydrophobicContact CH2-CD2 4.22Å; W953-L1016 HydrophobicContact CZ2-CD1 4.07Å; W953-L1016 HydrophobicContact CZ2-CD2 3.79Å; W953-L1016 HydrophobicContact CZ3-CD1 3.42Å; W953-L1016 VanDerWaalsContact CZ3-CD1 3.42Å; L964-L1016 HydrophobicContact CD2-CD2 4.4Å; L964-L1016 HydrophobicContact CD2-CG 4.35Å; A1012-L1016 WeakPolarHBondContact O-CB 3.45Å; A1012-L1016 PolarHBondContact O-N 3.29Å; I1014-L1016 VanDerWaalsContact C-N 3.3Å; I1014-L1016 PolarHBondContact O-N 2.88Å; L1016-L1020 HydrophobicContact CD1-CD1 3.71Å; L1016-L1020 HydrophobicContact CD1-CG 4Å; L1016-L1020 HydrophobicContact CG-CD1 3.97Å; L1016-L1020 WeakPolarHBondContact O-CB 3.46Å; L1016-L1020 WeakPolarHBondContact O-CG 3.4Å; L1016-L1020 PolarHBondContact O-N 2.75Å; L1016-L1133 HydrophobicContact CD2-CD1 4.32Å; L1016-L1137 HydrophobicContact CD1-CD2 4.12Å
1017C86.2Confident78.1Confident1 Ų140.5 Ų40.51%0.00721%0.211CC..Hα-helixtrans-63.7-44.5179.9-67.10000111.7A961 A1013 I1014 Q1015 M1021 W1092A961-C1017 HydrophobicContact CB-CB 4.04Å; A1013-C1017 PolarHBondContact O-N 3.09Å; A1013-C1017 PolarHBondContact O-SG 3.4Å; I1014-C1017 WeakPolarHBondContact O-CB 3.33Å; I1014-C1017 PolarHBondContact O-N 3.49Å; Q1015-C1017 VanDerWaalsContact C-N 3.3Å; Q1015-C1017 PolarHBondContact O-N 3.05Å; C1017-M1021 VanDerWaalsContact O-CB 3.25Å; C1017-M1021 WeakPolarHBondContact O-CB 3.48Å; C1017-M1021 PolarHBondContact O-N 3.39Å; C1017-W1092 HydrophobicContact CB-CH2 4.34Å; C1017-W1092 HydrophobicContact CB-CZ3 4.36Å
1018V84.2Confident78Confident0 Ų039.4 Ų39.40%020%0.203CC..Hα-helixtrans-70-42.4179.6-167.50000110.8I1014 Q1015 M1021 V1022 W1092 L1095 L1096 I1099I1014-V1018 HydrophobicContact CG2-CG2 4.48Å; I1014-V1018 WeakPolarHBondContact O-CG2 3.32Å; I1014-V1018 PolarHBondContact O-N 3.11Å; Q1015-V1018 PolarHBondContact O-N 3.34Å; V1018-M1021 HydrophobicContact CG1-CE 4.3Å; V1018-M1021 PolarHBondContact O-N 3.45Å; V1018-V1022 HydrophobicContact CG1-CG2 4.36Å; V1018-V1022 WeakPolarHBondContact O-CG2 3.38Å; V1018-V1022 PolarHBondContact O-N 3.46Å; V1018-W1092 HydrophobicContact CG2-CD2 4.33Å; V1018-W1092 HydrophobicContact CG2-CE3 3.88Å; V1018-W1092 HydrophobicContact CG2-CH2 3.69Å; V1018-W1092 HydrophobicContact CG2-CZ2 4.19Å; V1018-W1092 HydrophobicContact CG2-CZ3 3.54Å; V1018-L1095 HydrophobicContact CG2-CB 4.19Å; V1018-L1095 HydrophobicContact CG2-CD1 4.32Å; V1018-L1096 HydrophobicContact CG1-CD2 3.56Å; V1018-L1096 HydrophobicContact CG1-CG 4.1Å; V1018-I1099 HydrophobicContact CB-CD1 3.71Å; V1018-I1099 HydrophobicContact CG1-CD1 3.27Å
1019D80.5Confident78.4Confident30 Ų3038 Ų3816%0.1620%0.195CC..Hα-helixtrans-59-49.9177-80.2-5.6000111.1Q1015 M1021 V1022 T1023 I1099Q1015-D1019 PolarHBondContact NE2-OD1 3.44Å; Q1015-D1019 WeakPolarHBondContact O-CB 3.46Å; Q1015-D1019 PolarHBondContact O-N 3.09Å; D1019-M1021 VanDerWaalsContact C-N 3.34Å; D1019-M1021 PolarHBondContact O-N 3.27Å; D1019-V1022 PolarHBondContact O-N 2.81Å; D1019-T1023 VanDerWaalsContact O-CB 3.31Å; D1019-T1023 WeakPolarHBondContact O-CB 3.44Å; D1019-T1023 WeakPolarHBondContact O-CG2 3.47Å; D1019-T1023 PolarHBondContact O-N 2.81Å; D1019-T1023 PolarHBondContact O-OG1 3.3Å; D1019-I1099 VanDerWaalsContact OD1-CD1 3.29Å; D1019-I1099 WeakPolarHBondContact OD1-CD1 3.37Å
1020L82Confident78.4Confident20 Ų2038.8 Ų38.811%0.10520%0.197CC..Hα-helixtrans-62.6-41.1177.2-74.5170000111.9L951 W953 L964 L1016 V1022 C1024L951-L1020 HydrophobicContact CD2-CB 3.94Å; W953-L1020 HydrophobicContact CB-CD1 4.13Å; W953-L1020 HydrophobicContact CD2-CD1 4.36Å; W953-L1020 HydrophobicContact CE3-CD1 3.97Å; W953-L1020 HydrophobicContact CE3-CD2 4.41Å; W953-L1020 HydrophobicContact CG-CD1 4.46Å; L964-L1020 HydrophobicContact CD2-CD1 3.53Å; L1016-L1020 HydrophobicContact CD1-CD1 3.71Å; L1016-L1020 HydrophobicContact CD1-CG 4Å; L1016-L1020 HydrophobicContact CG-CD1 3.97Å; L1016-L1020 WeakPolarHBondContact O-CB 3.46Å; L1016-L1020 WeakPolarHBondContact O-CG 3.4Å; L1016-L1020 PolarHBondContact O-N 2.75Å; L1020-V1022 VanDerWaalsContact C-N 3.32Å; L1020-V1022 PolarHBondContact O-N 3.29Å; L1020-C1024 WeakPolarHBondContact O-CB 3.22Å; L1020-C1024 PolarHBondContact O-N 3.42Å; L1020-C1024 PolarHBondContact O-SG 3.15Å
1021M83.3Confident78.3Confident2 Ų239.3 Ų39.31%0.0120%0.2CC..Hα-helixtrans-61-41.5178.6-174.2-179.967.900111.8L951 C1017 V1018 D1019 L1028 W1092 L1096L951-M1021 HydrophobicContact CD2-CB 4.34Å; C1017-M1021 VanDerWaalsContact O-CB 3.25Å; C1017-M1021 WeakPolarHBondContact O-CB 3.48Å; C1017-M1021 PolarHBondContact O-N 3.39Å; V1018-M1021 HydrophobicContact CG1-CE 4.3Å; V1018-M1021 PolarHBondContact O-N 3.45Å; D1019-M1021 VanDerWaalsContact C-N 3.34Å; D1019-M1021 PolarHBondContact O-N 3.27Å; M1021-L1028 HydrophobicContact CG-CD1 3.77Å; M1021-L1028 HydrophobicContact CG-CD2 4.5Å; M1021-W1092 HydrophobicContact CE-CH2 4.41Å; M1021-W1092 HydrophobicContact CE-CZ2 3.62Å; M1021-W1092 HydrophobicContact SD-CZ2 3.93Å; M1021-L1096 HydrophobicContact CE-CD2 3.8Å
1022V77.4Confident78.6Confident2 Ų235.2 Ų35.21%0.01218%0.182CC..Hα-helixtrans-83.4-36.7-178.3178.40000112.5V1018 D1019 L1020 K1029 L1032 L1096 I1099 L1103V1018-V1022 HydrophobicContact CG1-CG2 4.36Å; V1018-V1022 WeakPolarHBondContact O-CG2 3.38Å; V1018-V1022 PolarHBondContact O-N 3.46Å; D1019-V1022 PolarHBondContact O-N 2.81Å; L1020-V1022 VanDerWaalsContact C-N 3.32Å; L1020-V1022 PolarHBondContact O-N 3.29Å; V1022-K1029 HydrophobicContact CG1-CB 4.16Å; V1022-K1029 HydrophobicContact CG1-CG 4.31Å; V1022-L1032 HydrophobicContact CG1-CD2 4.2Å; V1022-L1032 HydrophobicContact CG2-CD2 3.91Å; V1022-L1096 HydrophobicContact CG2-CD2 4.36Å; V1022-I1099 HydrophobicContact CB-CG2 4.2Å; V1022-I1099 HydrophobicContact CG1-CG2 3.85Å; V1022-I1099 HydrophobicContact CG2-CG2 4.24Å; V1022-L1103 HydrophobicContact CG1-CD1 3.87Å
1023T72.5Confident78.8Confident100 Ų10037.1 Ų37.161%0.61319%0.19SC*.Hα-helixtrans-79-30.5-178.950.50000113.6D1019 N1025D1019-T1023 VanDerWaalsContact O-CB 3.31Å; D1019-T1023 WeakPolarHBondContact O-CB 3.44Å; D1019-T1023 WeakPolarHBondContact O-CG2 3.47Å; D1019-T1023 PolarHBondContact O-N 2.81Å; D1019-T1023 PolarHBondContact O-OG1 3.3Å; T1023-N1025 VanDerWaalsContact C-N 3.31Å
1024C69.7Low78.4Confident81 Ų8143.1 Ų43.155%0.54722%0.218SC..SBendtrans-84.8-3.7179.1-620000113.6L1020L1020-C1024 WeakPolarHBondContact O-CB 3.22Å; L1020-C1024 PolarHBondContact O-N 3.42Å; L1020-C1024 PolarHBondContact O-SG 3.15Å
1025N72.2Confident78.1Confident27 Ų2743.1 Ų43.114%0.14422%0.218CC..  trans-142.8103.2-175-170.7-42.7000112.9F919 T1023 E1027 L1028 K1029F919-N1025 VanDerWaalsContact CE1-ND2 3.27Å; F919-N1025 WeakPolarHBondContact CE1-ND2 3.21Å; F919-N1025 WeakPolarHBondContact CE2-ND2 3.49Å; F919-N1025 WeakPolarHBondContact CZ-ND2 3.46Å; T1023-N1025 VanDerWaalsContact C-N 3.31Å; N1025-E1027 VanDerWaalsContact C-N 3.27Å; N1025-E1027 PolarHBondContact O-N 3.34Å; N1025-E1027 WeakPolarHBondContact OD1-CA 3.5Å; N1025-E1027 WeakPolarHBondContact OD1-CB 3.46Å; N1025-E1027 PolarHBondContact OD1-N 2.97Å; N1025-L1028 HydrophobicContact CB-CB 3.91Å; N1025-L1028 HydrophobicContact CB-CD1 3.7Å; N1025-L1028 HydrophobicContact CB-CG 4.29Å; N1025-L1028 WeakPolarHBondContact O-CB 3.35Å; N1025-L1028 PolarHBondContact O-N 2.97Å; N1025-L1028 PolarHBondContact OD1-N 3.5Å; N1025-K1029 PolarHBondContact O-N 3.17Å
1026E73.7Confident77.7Confident111 Ų11143.1 Ų43.152%0.51923%0.227SC..Hα-helixtrans-64.1-26.7179.6-78.8-64.6153.500113.8K1029 K1030E1026-K1029 IonicContact OE1-NZ 2.89Å; E1026-K1029 PolarHBondContact OE1-NZ 2.91Å; E1026-K1029 IonicContact OE2-NZ 3.36Å; E1026-K1029 PolarHBondContact OE2-NZ 3.24Å; E1026-K1030 WeakPolarHBondContact O-CB 3.29Å; E1026-K1030 WeakPolarHBondContact O-CG 3.29Å; E1026-K1030 PolarHBondContact O-N 3.42Å
1027E71.9Confident77.3Confident84 Ų8449.7 Ų49.739%0.39326%0.262SS..Hα-helixtrans-73.8-39.9173.8-76-176.1142.800111.9F919 N1025 K1029 K1030 S1031F919-E1027 WeakPolarHBondContact CB-OE2 3.1Å; F919-E1027 WeakPolarHBondContact CG-OE2 3.25Å; N1025-E1027 VanDerWaalsContact C-N 3.27Å; N1025-E1027 PolarHBondContact O-N 3.34Å; N1025-E1027 WeakPolarHBondContact OD1-CA 3.5Å; N1025-E1027 WeakPolarHBondContact OD1-CB 3.46Å; N1025-E1027 PolarHBondContact OD1-N 2.97Å; E1027-K1029 VanDerWaalsContact C-N 3.34Å; E1027-K1030 PolarHBondContact O-N 3.27Å; E1027-S1031 VanDerWaalsContact O-CB 3.29Å; E1027-S1031 WeakPolarHBondContact O-CB 3.46Å; E1027-S1031 PolarHBondContact O-N 2.92Å; E1027-S1031 PolarHBondContact O-OG 3.47Å
1028L77.8Confident76.9Confident2 Ų250.9 Ų50.91%0.0127%0.269CS..Hα-helixtrans-63.9-40.5172-92.3159.3000111.6F919 P942 L943 M1021 N1025 S1031 L1032F919-L1028 HydrophobicContact CE1-CD1 4.17Å; F919-L1028 HydrophobicContact CE1-CG 4.23Å; F919-L1028 HydrophobicContact CZ-CD1 4.22Å; P942-L1028 HydrophobicContact CB-CD2 4.28Å; P942-L1028 WeakPolarHBondContact O-CD2 3.18Å; L943-L1028 HydrophobicContact CD2-CD2 3.77Å; M1021-L1028 HydrophobicContact CG-CD1 3.77Å; M1021-L1028 HydrophobicContact CG-CD2 4.5Å; N1025-L1028 HydrophobicContact CB-CB 3.91Å; N1025-L1028 HydrophobicContact CB-CD1 3.7Å; N1025-L1028 HydrophobicContact CB-CG 4.29Å; N1025-L1028 WeakPolarHBondContact O-CB 3.35Å; N1025-L1028 PolarHBondContact O-N 2.97Å; N1025-L1028 PolarHBondContact OD1-N 3.5Å; L1028-S1031 WeakPolarHBondContact O-CB 3.39Å; L1028-S1031 PolarHBondContact O-N 3.1Å; L1028-L1032 WeakPolarHBondContact O-CB 3.47Å; L1028-L1032 PolarHBondContact O-N 2.96Å
1029K79.9Confident76.8Confident63 Ų6352 Ų5227%0.27428%0.276SS..Hα-helixtrans-60.3-47.7172.6-177.5174.5158.1-160.70111.4V1022 N1025 E1026 E1027 S1031 L1032 M1033 L1103V1022-K1029 HydrophobicContact CG1-CB 4.16Å; V1022-K1029 HydrophobicContact CG1-CG 4.31Å; N1025-K1029 PolarHBondContact O-N 3.17Å; E1026-K1029 IonicContact OE1-NZ 2.89Å; E1026-K1029 PolarHBondContact OE1-NZ 2.91Å; E1026-K1029 IonicContact OE2-NZ 3.36Å; E1026-K1029 PolarHBondContact OE2-NZ 3.24Å; E1027-K1029 VanDerWaalsContact C-N 3.34Å; K1029-S1031 PolarHBondContact O-N 2.95Å; K1029-L1032 PolarHBondContact O-N 3.35Å; K1029-M1033 WeakPolarHBondContact O-CG 3.3Å; K1029-M1033 PolarHBondContact O-N 3.41Å; K1029-L1103 HydrophobicContact CD-CD2 4.32Å; K1029-L1103 HydrophobicContact CG-CD1 3.96Å; K1029-L1103 HydrophobicContact CG-CD2 4.49Å
1030K75.4Confident77.1Confident135 Ų13550.6 Ų50.659%0.58727%0.268SS*.Hα-helixtrans-60.8-42.7172.7-79.7179.6179.7177.60112.4E1026 E1027 L1032 M1033 Q1034E1026-K1030 WeakPolarHBondContact O-CB 3.29Å; E1026-K1030 WeakPolarHBondContact O-CG 3.29Å; E1026-K1030 PolarHBondContact O-N 3.42Å; E1027-K1030 PolarHBondContact O-N 3.27Å; K1030-L1032 VanDerWaalsContact C-N 3.34Å; K1030-L1032 PolarHBondContact O-N 3.41Å; K1030-M1033 PolarHBondContact O-N 2.93Å; K1030-Q1034 VanDerWaalsContact O-CG 3.29Å; K1030-Q1034 WeakPolarHBondContact O-CG 3.46Å; K1030-Q1034 PolarHBondContact O-N 2.96Å
1031S74.9Confident77.3Confident11 Ų1149.6 Ų49.68%0.07726%0.263CS..Hα-helixtrans-59.9-44.7177.9-58.10000111.6L924 E1027 L1028 K1029 Q1034 T1035L924-S1031 WeakPolarHBondContact CD1-OG 3.46Å; E1027-S1031 VanDerWaalsContact O-CB 3.29Å; E1027-S1031 WeakPolarHBondContact O-CB 3.46Å; E1027-S1031 PolarHBondContact O-N 2.92Å; E1027-S1031 PolarHBondContact O-OG 3.47Å; L1028-S1031 WeakPolarHBondContact O-CB 3.39Å; L1028-S1031 PolarHBondContact O-N 3.1Å; K1029-S1031 PolarHBondContact O-N 2.95Å; S1031-Q1034 PolarHBondContact O-N 3.23Å; S1031-T1035 WeakPolarHBondContact O-CG2 3.37Å; S1031-T1035 PolarHBondContact O-N 3.45Å
1032L82.9Confident77.7Confident0 Ų049.5 Ų49.50%026%0.263CS..Hα-helixtrans-64.3-42.2175.8-178.860.3000111.2L943 V1022 L1028 K1029 K1030 Q1034 T1035 L1040 L1096 I1099 R1100 L1103L943-L1032 HydrophobicContact CD2-CB 4.32Å; V1022-L1032 HydrophobicContact CG1-CD2 4.2Å; V1022-L1032 HydrophobicContact CG2-CD2 3.91Å; L1028-L1032 WeakPolarHBondContact O-CB 3.47Å; L1028-L1032 PolarHBondContact O-N 2.96Å; K1029-L1032 PolarHBondContact O-N 3.35Å; K1030-L1032 VanDerWaalsContact C-N 3.34Å; K1030-L1032 PolarHBondContact O-N 3.41Å; L1032-Q1034 VanDerWaalsContact C-N 3.32Å; L1032-Q1034 PolarHBondContact O-N 3.49Å; L1032-T1035 WeakPolarHBondContact O-CB 2.97Å; L1032-T1035 PolarHBondContact O-N 3.12Å; L1032-T1035 PolarHBondContact O-OG1 3.13Å; L1032-L1040 HydrophobicContact CD1-CD1 3.78Å; L1032-L1096 HydrophobicContact CD1-CB 3.91Å; L1032-L1096 HydrophobicContact CD1-CD2 4.14Å; L1032-L1096 HydrophobicContact CD2-CD2 4.27Å; L1032-I1099 HydrophobicContact CD2-CG2 4.13Å; L1032-R1100 HydrophobicContact CD1-CB 4.21Å; L1032-R1100 HydrophobicContact CD2-CB 4.21Å; L1032-R1100 HydrophobicContact CG-CB 3.97Å; L1032-R1100 HydrophobicContact CG-CG 4.33Å; L1032-R1100 WeakPolarHBondContact O-CD 3.34Å; L1032-L1103 HydrophobicContact CD2-CD1 4.44Å
1033M79.6Confident78.1Confident52 Ų5249.9 Ų49.926%0.25627%0.265SS..Hα-helixtrans-66.9-32.2177.2-66-66.7-68.700112.8K1029 K1030 T1035 A1036 R1100 L1103 L1104K1029-M1033 WeakPolarHBondContact O-CG 3.3Å; K1029-M1033 PolarHBondContact O-N 3.41Å; K1030-M1033 PolarHBondContact O-N 2.93Å; M1033-T1035 PolarHBondContact O-N 3.47Å; M1033-A1036 PolarHBondContact O-N 3.47Å; M1033-A1036 VanDerWaalsContact O-N 3.16Å; M1033-R1100 HydrophobicContact SD-CG 4.37Å; M1033-L1103 HydrophobicContact SD-CB 3.74Å; M1033-L1103 HydrophobicContact SD-CD1 4.21Å; M1033-L1104 HydrophobicContact CE-CD2 3.39Å; M1033-L1104 HydrophobicContact CE-CG 3.69Å; M1033-L1104 HydrophobicContact SD-CG 4.27Å
1034Q74.9Confident78.6Confident126 Ų12646.7 Ų46.759%0.58925%0.245SC*.Hα-helixtrans-67.9-16.4175-76172.6-5.100113.6K1030 S1031 L1032 A1036K1030-Q1034 VanDerWaalsContact O-CG 3.29Å; K1030-Q1034 WeakPolarHBondContact O-CG 3.46Å; K1030-Q1034 PolarHBondContact O-N 2.96Å; S1031-Q1034 PolarHBondContact O-N 3.23Å; L1032-Q1034 VanDerWaalsContact C-N 3.32Å; L1032-Q1034 PolarHBondContact O-N 3.49Å; Q1034-A1036 PolarHBondContact O-N 3.44Å
1035T77.1Confident79.1Confident1 Ų149.2 Ų49.21%0.00625%0.248CC..THydrogen-bonded Turntrans-73.5-1.5172.573.20000113.5F935 L943 S1031 L1032 M1033 D1037 L1038 L1040 R1100F935-T1035 HydrophobicContact CD2-CG2 3.77Å; F935-T1035 HydrophobicContact CE1-CG2 4.26Å; F935-T1035 HydrophobicContact CE2-CG2 3.34Å; F935-T1035 HydrophobicContact CG-CG2 4.34Å; F935-T1035 HydrophobicContact CZ-CG2 3.67Å; L943-T1035 HydrophobicContact CD1-CG2 4.14Å; S1031-T1035 WeakPolarHBondContact O-CG2 3.37Å; S1031-T1035 PolarHBondContact O-N 3.45Å; L1032-T1035 WeakPolarHBondContact O-CB 2.97Å; L1032-T1035 PolarHBondContact O-N 3.12Å; L1032-T1035 PolarHBondContact O-OG1 3.13Å; M1033-T1035 PolarHBondContact O-N 3.47Å; T1035-D1037 PolarHBondContact O-N 2.77Å; T1035-L1038 WeakPolarHBondContact O-CB 3.12Å; T1035-L1038 PolarHBondContact O-N 3.48Å; T1035-L1040 HydrophobicContact CG2-CD2 3.83Å; T1035-R1100 PolarHBondContact O-NH1 2.84Å; T1035-R1100 VanDerWaalsContact O-NH1 3.16Å; T1035-R1100 VanDerWaalsContact OG1-CD 3.31Å; T1035-R1100 WeakPolarHBondContact OG1-CD 3.39Å; T1035-R1100 PolarHBondContact OG1-NH1 2.87Å
1036A73.3Confident79.3Confident54 Ų5453.2 Ų53.245%0.44628%0.277SS..THydrogen-bonded Turntrans54.2-127173.800000113.2M1033 Q1034 R1100M1033-A1036 PolarHBondContact O-N 3.47Å; M1033-A1036 VanDerWaalsContact O-N 3.16Å; Q1034-A1036 PolarHBondContact O-N 3.44Å; A1036-R1100 WeakPolarHBondContact O-CD 3.39Å; A1036-R1100 PolarHBondContact O-NE 2.89Å; A1036-R1100 PolarHBondContact O-NH1 2.92Å; A1036-R1100 VanDerWaalsContact O-NH1 3.11Å; A1036-R1100 PolarHBondContact O-NH2 3.37Å
1037D73.3Confident79.5Confident141 Ų14149.5 Ų49.575%0.75426%0.261SS*.THydrogen-bonded Turntrans-101.71.5178.559.6-22.5000112.9T1035 R1100T1035-D1037 PolarHBondContact O-N 2.77Å; D1037-R1100 PolarHBondContact O-NH2 3.38Å
1038L77.8Confident79.8Confident27 Ų2750.4 Ų50.414%0.14127%0.268CS..PPolyproline II helixtrans-62137.1-178.3-63.4173.4000111.5N932 F935 T1035 L1040 R1100N932-L1038 WeakPolarHBondContact O-CD2 3.31Å; F935-L1038 HydrophobicContact CB-CB 4.1Å; F935-L1038 HydrophobicContact CB-CD1 4.35Å; T1035-L1038 WeakPolarHBondContact O-CB 3.12Å; T1035-L1038 PolarHBondContact O-N 3.48Å; L1038-L1040 PolarHBondContact O-N 2.79Å; L1038-R1100 VanDerWaalsContact O-CZ 3.31Å; L1038-R1100 PolarHBondContact O-NH1 3.32Å; L1038-R1100 PolarHBondContact O-NH2 3.33Å
1039P82.2Confident80Confident23 Ų2351.5 Ų51.515%0.14927%0.272CS..PPolyproline II helixtrans-56.7130.2163.8-22.433.8000110.8E933 I934 F935 A1070 Y1074 M1097E933-P1039 WeakPolarHBondContact O-CD 3.4Å; I934-P1039 WeakPolarHBondContact CG2-O 3.37Å; F935-P1039 PolarHBondContact N-O 3.26Å; P1039-A1070 HydrophobicContact CG-CB 4.3Å; P1039-Y1074 HydrophobicContact CB-CD2 4.49Å; P1039-M1097 HydrophobicContact CB-CE 4.44Å; P1039-M1097 HydrophobicContact CB-SD 4.42Å
1040L87.5Confident80.2Confident0 Ų049.5 Ų49.50%026%0.264CS..EExtended strand (participates in β ladder)trans-93.9121.9178.1-57.1174.8000110.2F935 F937 L1032 T1035 L1038 N1090 G1093 L1096 M1097F935-L1040 HydrophobicContact CB-CD2 3.72Å; F935-L1040 HydrophobicContact CD1-CD2 3.66Å; F935-L1040 HydrophobicContact CD2-CD2 4.36Å; F935-L1040 HydrophobicContact CE1-CD2 4.38Å; F935-L1040 HydrophobicContact CG-CD2 3.68Å; F937-L1040 HydrophobicContact CE1-CB 4.04Å; L1032-L1040 HydrophobicContact CD1-CD1 3.78Å; T1035-L1040 HydrophobicContact CG2-CD2 3.83Å; L1038-L1040 PolarHBondContact O-N 2.79Å; L1040-N1090 PolarHBondContact O-ND2 2.88Å; L1040-G1093 WeakPolarHBondContact O-CA 3.47Å; L1040-L1096 HydrophobicContact CD1-CB 3.49Å; L1040-L1096 VanDerWaalsContact CD1-CB 3.49Å; L1040-L1096 HydrophobicContact CD1-CD1 4.4Å; L1040-M1097 HydrophobicContact CB-CE 3.92Å; L1040-M1097 HydrophobicContact CB-CG 4.1Å; L1040-M1097 HydrophobicContact CD1-CG 3.82Å; L1040-M1097 HydrophobicContact CG-CG 3.79Å; L1040-M1097 WeakPolarHBondContact O-CE 3.46Å
1041A87Confident80.8Confident0 Ų043 Ų430%024%0.236CC..EExtended strand (participates in β ladder)trans-117.4113-179.700000111.7I934 F935 V936 F937 C1043 V1052 L1059 M1077I934-A1041 HydrophobicContact CG2-CB 3.81Å; F935-A1041 PolarHBondContact O-N 3.21Å; V936-A1041 HydrophobicContact CG2-CB 4.21Å; F937-A1041 WeakPolarHBondContact CD1-O 3.4Å; F937-A1041 PolarHBondContact N-O 3.45Å; A1041-C1043 PolarHBondContact O-N 3.35Å; A1041-V1052 HydrophobicContact CB-CG2 3.98Å; A1041-L1059 HydrophobicContact CB-CD2 4.44Å; A1041-M1077 HydrophobicContact CB-CE 4.36Å
1042Y90.8Very high81.2Confident0 Ų042.5 Ų42.50%023%0.232CC..EExtended strand (participates in β ladder)trans-83.899.5175.9178.5-131.1000110.7F937 P945 E946 N1044 L1050 G1051 V1052 N1090 W1092F937-Y1042 AromaticContact CD2-CD2 3.86Å; F937-Y1042 HydrophobicContact CD2-CD2 3.86Å; F937-Y1042 AromaticContact CE2-CD2 3.62Å; F937-Y1042 HydrophobicContact CE2-CD2 3.62Å; F937-Y1042 HydrophobicContact CE2-CG 4.05Å; F937-Y1042 HydrophobicContact CZ-CD2 4.29Å; F937-Y1042 HydrophobicContact CZ-CG 4.32Å; F937-Y1042 CarbonylContact O-C 3.56Å; F937-Y1042 WeakPolarHBondContact O-CA 3.48Å; P945-Y1042 HydrophobicContact CG-CE1 3.95Å; E946-Y1042 PolarHBondContact OE1-OH 2.95Å; E946-Y1042 PolarHBondContact OE2-OH 3.35Å; Y1042-N1044 HydrophobicContact CE1-CB 3.86Å; Y1042-N1044 HydrophobicContact CE2-CB 4.35Å; Y1042-N1044 PolarHBondContact O-N 3.19Å; Y1042-N1044 PolarHBondContact OH-ND2 2.82Å; Y1042-L1050 HydrophobicContact CD1-CB 4.41Å; Y1042-G1051 CarbonylContact O-C 3.58Å; Y1042-G1051 WeakPolarHBondContact O-CA 3.4Å; Y1042-V1052 WeakPolarHBondContact O-CG2 3.19Å; Y1042-V1052 PolarHBondContact O-N 3.27Å; Y1042-N1090 PolarHBondContact N-OD1 2.9Å; Y1042-W1092 HydrophobicContact CD1-CB 4.43Å
1043C85.5Confident81.3Confident9 Ų943.4 Ų43.46%0.06124%0.241CC..  trans-86.793.6-176.4-75.80000112V936 F937 A1041 M1054V936-C1043 HydrophobicContact CG1-CB 3.92Å; V936-C1043 WeakPolarHBondContact CG1-SG 3.27Å; F937-C1043 PolarHBondContact O-N 3.2Å; A1041-C1043 PolarHBondContact O-N 3.35Å; C1043-M1054 CarbonylContact C-O 3.6Å; C1043-M1054 WeakPolarHBondContact CA-O 3.04Å; C1043-M1054 WeakPolarHBondContact CB-O 2.79Å
1044N83.1Confident81.6Confident34 Ų3442.4 Ų42.418%0.18224%0.236CC..  trans-125.7119169.7-176.3-18.2000109.2Y1042 C1046 D1047 G1053 M1054Y1042-N1044 HydrophobicContact CE1-CB 3.86Å; Y1042-N1044 HydrophobicContact CE2-CB 4.35Å; Y1042-N1044 PolarHBondContact O-N 3.19Å; Y1042-N1044 PolarHBondContact OH-ND2 2.82Å; N1044-C1046 PolarHBondContact O-N 2.72Å; N1044-C1046 PolarHBondContact OD1-N 3Å; N1044-D1047 HydrophobicContact CB-CB 4.12Å; N1044-D1047 PolarHBondContact O-N 3.32Å; N1044-G1053 CarbonylContact O-C 3.54Å; N1044-G1053 VanDerWaalsContact O-CA 3.25Å; N1044-G1053 WeakPolarHBondContact O-CA 3.42Å; N1044-G1053 PolarHBondContact O-N 2.86Å; N1044-M1054 PolarHBondContact N-O 2.85Å
1045Q81.2Confident82.1Confident134 Ų13439 Ų3963%0.62622%0.224SC*.THydrogen-bonded Turntrans-65.5-17-178.169.7-173-1.800114.1T1055Q1045-T1055 HydrophobicContact CB-CG2 3.97Å
1046C74.8Confident82.2Confident111 Ų11140 Ų4075%0.7524%0.235SC*.THydrogen-bonded Turntrans-103.3-2.3-178-60.50000113N1044N1044-C1046 PolarHBondContact O-N 2.72Å; N1044-C1046 PolarHBondContact OD1-N 3Å
1047D77.8Confident82.4Confident33 Ų3343.3 Ų43.318%0.17625%0.245CC..  trans-129.5101.6-172.8-165.7-21000112N1044 Y1049 L1050 G1051 G1053N1044-D1047 HydrophobicContact CB-CB 4.12Å; N1044-D1047 PolarHBondContact O-N 3.32Å; D1047-Y1049 WeakPolarHBondContact OD1-CA 3.3Å; D1047-Y1049 PolarHBondContact OD1-N 2.93Å; D1047-L1050 PolarHBondContact OD1-N 2.85Å; D1047-L1050 VanDerWaalsContact OD2-CB 3.29Å; D1047-L1050 WeakPolarHBondContact OD2-CB 3.16Å; D1047-G1051 CarbonylContact O-C 3.09Å; D1047-G1051 VanDerWaalsContact O-CA 3.29Å; D1047-G1051 WeakPolarHBondContact O-CA 3.43Å; D1047-G1051 PolarHBondContact O-N 2.82Å; D1047-G1053 PolarHBondContact O-N 2.99Å; D1047-G1053 VanDerWaalsContact O-N 3.12Å
1048L79.1Confident82.8Confident103 Ų10337.9 Ų37.954%0.53922%0.22SC..SBendtrans-85.3-9175.2-72.1157.2000113G1051 G1088 R1089L1048-G1051 CarbonylContact C-O 3.53Å; L1048-G1088 CarbonylContact O-C 3.51Å; L1048-G1088 WeakPolarHBondContact O-CA 3.36Å; L1048-R1089 PolarHBondContact O-N 3.45Å
1049Y81.9Confident83Confident24 Ų2436.6 Ų36.69%0.09421%0.214CC..SBendtrans-98.8-58.5-174.9-173-100.7000111.7R1005 I1014 D1047 L1091R1005-Y1049 HydrophobicContact CG-CD1 4.07Å; R1005-Y1049 HydrophobicContact CG-CD2 4.27Å; R1005-Y1049 HydrophobicContact CG-CE1 3.49Å; R1005-Y1049 VanDerWaalsContact CG-CE1 3.49Å; R1005-Y1049 HydrophobicContact CG-CE2 3.72Å; R1005-Y1049 HydrophobicContact CG-CG 4.44Å; R1005-Y1049 PolarHBondContact O-OH 3.29Å; I1014-Y1049 HydrophobicContact CD1-CE1 3.84Å; D1047-Y1049 WeakPolarHBondContact OD1-CA 3.3Å; D1047-Y1049 PolarHBondContact OD1-N 2.93Å; Y1049-L1091 HydrophobicContact CD1-CD2 4.44Å; Y1049-L1091 HydrophobicContact CE1-CD2 3.68Å; Y1049-L1091 VanDerWaalsContact O-CB 3.31Å; Y1049-L1091 WeakPolarHBondContact O-CB 3.3Å; Y1049-L1091 PolarHBondContact O-N 3.07Å
1050L84.6Confident82.7Confident21 Ų2140 Ų4011%0.1123%0.227CC..SBendtrans-80.6-31.7175.6-57.4175.1000111.5I1014 Y1042 D1047 N1090 L1091 W1092I1014-L1050 HydrophobicContact CD1-CD2 3.87Å; I1014-L1050 HydrophobicContact CG1-CD2 4.49Å; I1014-L1050 HydrophobicContact CG2-CD2 4.41Å; Y1042-L1050 HydrophobicContact CD1-CB 4.41Å; D1047-L1050 PolarHBondContact OD1-N 2.85Å; D1047-L1050 VanDerWaalsContact OD2-CB 3.29Å; D1047-L1050 WeakPolarHBondContact OD2-CB 3.16Å; L1050-N1090 CarbonylContact O-C 3.58Å; L1050-N1090 WeakPolarHBondContact O-CA 3.2Å; L1050-L1091 PolarHBondContact O-N 3.23Å; L1050-W1092 HydrophobicContact CB-CB 4.21Å; L1050-W1092 VanDerWaalsContact O-CB 3.31Å; L1050-W1092 WeakPolarHBondContact O-CB 3.33Å; L1050-W1092 PolarHBondContact O-N 2.84Å; L1050-W1092 VanDerWaalsContact O-N 3.12Å
1051G86.7Confident82.2Confident0 Ų046 Ų460%026%0.255CS..SBendtrans-111.3-174.6-177.600000114.7Y1042 D1047 L1048 G1088 N1090Y1042-G1051 CarbonylContact O-C 3.58Å; Y1042-G1051 WeakPolarHBondContact O-CA 3.4Å; D1047-G1051 CarbonylContact O-C 3.09Å; D1047-G1051 VanDerWaalsContact O-CA 3.29Å; D1047-G1051 WeakPolarHBondContact O-CA 3.43Å; D1047-G1051 PolarHBondContact O-N 2.82Å; L1048-G1051 CarbonylContact C-O 3.53Å; G1051-G1088 CarbonylContact O-C 3.4Å; G1051-N1090 WeakPolarHBondContact O-CA 3.49Å; G1051-N1090 PolarHBondContact O-N 3.26Å
1052V85.1Confident81.7Confident0 Ų046.8 Ų46.80%026%0.259CS..  trans-83.9-8178.8-149.40000112.8A1041 Y1042 M1054 L1059 M1077 L1087 G1088 N1090A1041-V1052 HydrophobicContact CB-CG2 3.98Å; Y1042-V1052 WeakPolarHBondContact O-CG2 3.19Å; Y1042-V1052 PolarHBondContact O-N 3.27Å; V1052-M1054 VanDerWaalsContact C-N 3.29Å; V1052-M1054 PolarHBondContact O-N 3.46Å; V1052-L1059 HydrophobicContact CG1-CD1 4.23Å; V1052-M1077 HydrophobicContact CG1-CE 4.27Å; V1052-L1087 HydrophobicContact CG1-CD1 3.47Å; V1052-L1087 VanDerWaalsContact CG1-CD1 3.47Å; V1052-L1087 HydrophobicContact CG1-CG 3.89Å; V1052-G1088 PolarHBondContact O-N 3.11Å; V1052-N1090 HydrophobicContact CG2-CB 4.25Å
1053G84.8Confident80.9Confident18 Ų1847.7 Ų47.719%0.18627%0.265CS..SBendtrans73.513.3-177.300000115.4N1044 D1047N1044-G1053 CarbonylContact O-C 3.54Å; N1044-G1053 VanDerWaalsContact O-CA 3.25Å; N1044-G1053 WeakPolarHBondContact O-CA 3.42Å; N1044-G1053 PolarHBondContact O-N 2.86Å; D1047-G1053 PolarHBondContact O-N 2.99Å; D1047-G1053 VanDerWaalsContact O-N 3.12Å
1054M85.2Confident80.2Confident31 Ų3153.2 Ų53.215%0.15329%0.294CS..SBendtrans-136.2157.3-177.9-57.2-173.897.600110.9C1043 N1044 V1052 A1058 L1059 F1062C1043-M1054 CarbonylContact C-O 3.6Å; C1043-M1054 WeakPolarHBondContact CA-O 3.04Å; C1043-M1054 WeakPolarHBondContact CB-O 2.79Å; N1044-M1054 PolarHBondContact N-O 2.85Å; V1052-M1054 VanDerWaalsContact C-N 3.29Å; V1052-M1054 PolarHBondContact O-N 3.46Å; M1054-A1058 HydrophobicContact CB-CB 4.2Å; M1054-A1058 HydrophobicContact CE-CB 4.17Å; M1054-L1059 HydrophobicContact CB-CB 4.36Å; M1054-L1059 HydrophobicContact SD-CD1 4.39Å; M1054-F1062 HydrophobicContact CE-CB 4.02Å; M1054-F1062 HydrophobicContact CE-CG 4.44Å; M1054-F1062 HydrophobicContact SD-CB 4.24Å; M1054-F1062 HydrophobicContact SD-CG 4.35Å
1055T85.2Confident79.7Confident55 Ų5559.1 Ų59.134%0.33732%0.32SS..  trans-74.9161.5166.1650000110.1Q1045 N1057 A1058 L1059Q1045-T1055 HydrophobicContact CB-CG2 3.97Å; T1055-N1057 VanDerWaalsContact C-N 3.26Å; T1055-N1057 PolarHBondContact O-N 3.26Å; T1055-A1058 PolarHBondContact O-N 3.37Å; T1055-A1058 VanDerWaalsContact O-N 3.12Å; T1055-A1058 WeakPolarHBondContact OG1-CB 3.42Å; T1055-A1058 PolarHBondContact OG1-N 3.27Å; T1055-A1058 VanDerWaalsContact OG1-N 3.16Å; T1055-L1059 PolarHBondContact O-N 3.37Å
1056G80.5Confident78.9Confident23 Ų2355.9 Ų55.924%0.23731%0.309CS..Hα-helixtrans-52.5-43.3173.100000112.4F930 A1058 Q1060F930-G1056 WeakPolarHBondContact CE2-O 3.1Å; F930-G1056 WeakPolarHBondContact CZ-O 3.33Å; G1056-A1058 PolarHBondContact O-N 3.24Å; G1056-Q1060 PolarHBondContact O-N 3.16Å
1057N77.2Confident78.1Confident122 Ų12254.4 Ų54.465%0.65231%0.306SS*.Hα-helixtrans-69.1-36.8177.9-69.7-3.9000113.4T1055 Q1060 Q1061T1055-N1057 VanDerWaalsContact C-N 3.26Å; T1055-N1057 PolarHBondContact O-N 3.26Å; N1057-Q1060 VanDerWaalsContact O-CB 3.3Å; N1057-Q1060 WeakPolarHBondContact O-CB 3.33Å; N1057-Q1060 PolarHBondContact O-N 3.18Å; N1057-Q1060 VanDerWaalsContact O-N 3.15Å; N1057-Q1061 PolarHBondContact O-N 2.88Å; N1057-Q1061 VanDerWaalsContact O-N 3.09Å
1058A81.3Confident77.2Confident28 Ų2853.7 Ų53.723%0.23131%0.305CS..Hα-helixtrans-71.7-37.5-179.200000112.1M1054 T1055 G1056 Q1060 Q1061 F1062M1054-A1058 HydrophobicContact CB-CB 4.2Å; M1054-A1058 HydrophobicContact CE-CB 4.17Å; T1055-A1058 PolarHBondContact O-N 3.37Å; T1055-A1058 VanDerWaalsContact O-N 3.12Å; T1055-A1058 WeakPolarHBondContact OG1-CB 3.42Å; T1055-A1058 PolarHBondContact OG1-N 3.27Å; T1055-A1058 VanDerWaalsContact OG1-N 3.16Å; G1056-A1058 PolarHBondContact O-N 3.24Å; A1058-Q1060 PolarHBondContact O-N 3.17Å; A1058-Q1061 PolarHBondContact O-N 3.12Å; A1058-F1062 WeakPolarHBondContact O-CB 3.37Å; A1058-F1062 PolarHBondContact O-N 2.91Å
1059L81.2Confident76.5Confident0 Ų051.3 Ų51.30%030%0.298CS..Hα-helixtrans-60.6-30.3170-177.465.1000110.6F930 V936 A1041 V1052 M1054 T1055 F1062 C1063 L1073 L1087F930-L1059 HydrophobicContact CE1-CB 4.25Å; F930-L1059 HydrophobicContact CE1-CD2 4.37Å; F930-L1059 HydrophobicContact CE1-CG 3.95Å; F930-L1059 HydrophobicContact CZ-CB 3.75Å; F930-L1059 HydrophobicContact CZ-CD2 4.15Å; F930-L1059 HydrophobicContact CZ-CG 3.87Å; V936-L1059 HydrophobicContact CG2-CD2 4.19Å; A1041-L1059 HydrophobicContact CB-CD2 4.44Å; V1052-L1059 HydrophobicContact CG1-CD1 4.23Å; M1054-L1059 HydrophobicContact CB-CB 4.36Å; M1054-L1059 HydrophobicContact SD-CD1 4.39Å; T1055-L1059 PolarHBondContact O-N 3.37Å; L1059-F1062 HydrophobicContact CD1-CD1 4.34Å; L1059-F1062 PolarHBondContact O-N 2.81Å; L1059-C1063 PolarHBondContact O-N 3.01Å; L1059-C1063 PolarHBondContact O-SG 3.01Å; L1059-L1073 HydrophobicContact CD1-CD2 3.94Å; L1059-L1087 HydrophobicContact CD1-CD1 4.09Å
1060Q76Confident75.7Confident94 Ų9450.7 Ų50.744%0.43930%0.297SS..Hα-helixtrans-73.8-45.5-177.7-163.4177.6-0.500111.2F930 G1056 N1057 A1058 F1062 C1063 N1064F930-Q1060 HydrophobicContact CE1-CB 3.6Å; F930-Q1060 HydrophobicContact CE1-CG 3.94Å; F930-Q1060 HydrophobicContact CE2-CB 4.11Å; F930-Q1060 HydrophobicContact CZ-CB 3.35Å; F930-Q1060 HydrophobicContact CZ-CG 4.03Å; G1056-Q1060 PolarHBondContact O-N 3.16Å; N1057-Q1060 VanDerWaalsContact O-CB 3.3Å; N1057-Q1060 WeakPolarHBondContact O-CB 3.33Å; N1057-Q1060 PolarHBondContact O-N 3.18Å; N1057-Q1060 VanDerWaalsContact O-N 3.15Å; A1058-Q1060 PolarHBondContact O-N 3.17Å; Q1060-F1062 VanDerWaalsContact C-N 3.32Å; Q1060-C1063 PolarHBondContact O-N 3.41Å; Q1060-N1064 WeakPolarHBondContact O-CB 3.17Å; Q1060-N1064 PolarHBondContact O-N 3.37Å; Q1060-N1064 PolarHBondContact O-ND2 3.12Å; Q1060-N1064 PolarHBondContact O-OD1 3.24Å
1061Q77.3Confident74.8Confident125 Ų12557.9 Ų57.958%0.58433%0.328SS*.Hα-helixtrans-59.5-45.5171.5-71.5176.9-28.400110.9N1057 A1058 C1063 N1064 E1065N1057-Q1061 PolarHBondContact O-N 2.88Å; N1057-Q1061 VanDerWaalsContact O-N 3.09Å; A1058-Q1061 PolarHBondContact O-N 3.12Å; Q1061-C1063 PolarHBondContact O-N 2.76Å; Q1061-N1064 PolarHBondContact O-N 3Å; Q1061-E1065 WeakPolarHBondContact O-CG 3.48Å; Q1061-E1065 PolarHBondContact O-N 3.43Å
1062F77.6Confident73.9Confident18 Ų1860.7 Ų60.78%0.07934%0.342CS..Hα-helixtrans-57.9-50.6175.7177.9-97000112.1M1054 A1058 L1059 Q1060 N1064 E1065 V1066 W1076 P1084 L1087M1054-F1062 HydrophobicContact CE-CB 4.02Å; M1054-F1062 HydrophobicContact CE-CG 4.44Å; M1054-F1062 HydrophobicContact SD-CB 4.24Å; M1054-F1062 HydrophobicContact SD-CG 4.35Å; A1058-F1062 WeakPolarHBondContact O-CB 3.37Å; A1058-F1062 PolarHBondContact O-N 2.91Å; L1059-F1062 HydrophobicContact CD1-CD1 4.34Å; L1059-F1062 PolarHBondContact O-N 2.81Å; Q1060-F1062 VanDerWaalsContact C-N 3.32Å; F1062-N1064 VanDerWaalsContact C-N 3.28Å; F1062-N1064 PolarHBondContact O-N 2.74Å; F1062-E1065 PolarHBondContact O-N 3.09Å; F1062-E1065 VanDerWaalsContact O-N 3.13Å; F1062-V1066 HydrophobicContact CD1-CG2 4.4Å; F1062-V1066 HydrophobicContact CD2-CG2 3.94Å; F1062-V1066 HydrophobicContact CE1-CG2 4.19Å; F1062-V1066 HydrophobicContact CE2-CG2 3.71Å; F1062-V1066 HydrophobicContact CG-CG2 4.29Å; F1062-V1066 HydrophobicContact CZ-CG2 3.85Å; F1062-V1066 VanDerWaalsContact O-CG2 3.25Å; F1062-V1066 WeakPolarHBondContact O-CG2 2.95Å; F1062-V1066 PolarHBondContact O-N 3.35Å; F1062-W1076 HydrophobicContact CE1-CE3 4.25Å; F1062-W1076 AromaticContact CE1-CZ3 3.75Å; F1062-W1076 HydrophobicContact CE1-CZ3 3.75Å; F1062-W1076 HydrophobicContact CZ-CE3 4.31Å; F1062-W1076 HydrophobicContact CZ-CH2 4.5Å; F1062-W1076 AromaticContact CZ-CZ3 3.74Å; F1062-W1076 HydrophobicContact CZ-CZ3 3.74Å; F1062-P1084 HydrophobicContact CE2-CB 4.29Å; F1062-P1084 HydrophobicContact CE2-CG 4.43Å; F1062-P1084 HydrophobicContact CZ-CB 4.2Å; F1062-P1084 HydrophobicContact CZ-CG 3.97Å; F1062-L1087 HydrophobicContact CD1-CD1 4.43Å; F1062-L1087 HydrophobicContact CE1-CD1 3.96Å; F1062-L1087 HydrophobicContact CZ-CD1 4.49Å
1063C73.7Confident73.4Confident18 Ų1860.8 Ų60.812%0.12234%0.343CS..Hα-helixtrans-58.3-39.5177.6-65.20000112.9L1059 Q1060 Q1061 A1067 G1068 L1073L1059-C1063 PolarHBondContact O-N 3.01Å; L1059-C1063 PolarHBondContact O-SG 3.01Å; Q1060-C1063 PolarHBondContact O-N 3.41Å; Q1061-C1063 PolarHBondContact O-N 2.76Å; C1063-A1067 PolarHBondContact O-N 3.29Å; C1063-G1068 PolarHBondContact O-N 2.99Å; C1063-L1073 WeakPolarHBondContact SG-CD1 3.45Å
1064N70.9Confident73Confident125 Ų12562.7 Ų62.767%0.66835%0.345SS*.Hα-helixtrans-67.1-36.5177.5-68.6-15.7000112.3Q1060 Q1061 F1062Q1060-N1064 WeakPolarHBondContact O-CB 3.17Å; Q1060-N1064 PolarHBondContact O-N 3.37Å; Q1060-N1064 PolarHBondContact O-ND2 3.12Å; Q1060-N1064 PolarHBondContact O-OD1 3.24Å; Q1061-N1064 PolarHBondContact O-N 3Å; F1062-N1064 VanDerWaalsContact C-N 3.28Å; F1062-N1064 PolarHBondContact O-N 2.74Å
1065E71.2Confident72.5Confident158 Ų15866.1 Ų66.174%0.73836%0.359SS*.Hα-helixtrans-73.9-40.2-179.9-74.9173.1-171.600112.9Q1061 F1062Q1061-E1065 WeakPolarHBondContact O-CG 3.48Å; Q1061-E1065 PolarHBondContact O-N 3.43Å; F1062-E1065 PolarHBondContact O-N 3.09Å; F1062-E1065 VanDerWaalsContact O-N 3.13Å
1066V65.5Low72.1Confident66 Ų6664.9 Ų64.940%0.435%0.348SS..Hα-helixtrans-94.82.8-175.4-143.50000113.7F1062 G1068 W1076F1062-V1066 HydrophobicContact CD1-CG2 4.4Å; F1062-V1066 HydrophobicContact CD2-CG2 3.94Å; F1062-V1066 HydrophobicContact CE1-CG2 4.19Å; F1062-V1066 HydrophobicContact CE2-CG2 3.71Å; F1062-V1066 HydrophobicContact CG-CG2 4.29Å; F1062-V1066 HydrophobicContact CZ-CG2 3.85Å; F1062-V1066 VanDerWaalsContact O-CG2 3.25Å; F1062-V1066 WeakPolarHBondContact O-CG2 2.95Å; F1062-V1066 PolarHBondContact O-N 3.35Å; V1066-G1068 PolarHBondContact O-N 3.09Å; V1066-G1068 VanDerWaalsContact O-N 3.08Å; V1066-W1076 HydrophobicContact CB-CH2 4.4Å; V1066-W1076 HydrophobicContact CG1-CH2 3.9Å
1067A57.3Low71.9Confident81 Ų8164 Ų6467%0.66934%0.338SS*.THydrogen-bonded Turntrans47.934.5-173.600000113.1C1063C1063-A1067 PolarHBondContact O-N 3.29Å
1068G58.8Low71.6Confident17 Ų1760 Ų6018%0.17532%0.318CS..  trans-81126.4-170.700000112.5C1063 V1066C1063-G1068 PolarHBondContact O-N 2.99Å; V1066-G1068 PolarHBondContact O-N 3.09Å; V1066-G1068 VanDerWaalsContact O-N 3.08Å
1069S63.7Low71.1Confident54 Ų5461.2 Ų61.238%0.37832%0.321SS..  trans-75.2159.9169.566.10000111.6K1071 L1072 L1073S1069-K1071 PolarHBondContact O-N 3.37Å; S1069-K1071 VanDerWaalsContact O-N 3.08Å; S1069-L1072 WeakPolarHBondContact O-CB 3.48Å; S1069-L1072 PolarHBondContact O-N 3.36Å; S1069-L1072 PolarHBondContact OG-N 2.83Å; S1069-L1073 PolarHBondContact O-N 2.92Å
1070A65.4Low70.4Confident10 Ų1064.3 Ų64.38%0.08334%0.341CS..Hα-helixtrans-55.2-27.8173.500000114.1E933 I934 P1039 Y1074E933-A1070 HydrophobicContact CB-CB 3.52Å; E933-A1070 VanDerWaalsContact O-CB 3.29Å; E933-A1070 WeakPolarHBondContact O-CB 3.45Å; E933-A1070 PolarHBondContact OE2-N 3.08Å; I934-A1070 HydrophobicContact CD1-CB 4.08Å; I934-A1070 HydrophobicContact CG1-CB 3.57Å; P1039-A1070 HydrophobicContact CG-CB 4.3Å; A1070-Y1074 VanDerWaalsContact O-CB 3.29Å; A1070-Y1074 WeakPolarHBondContact O-CB 3.45Å; A1070-Y1074 PolarHBondContact O-N 2.99Å
1071K65.7Low70Confident172 Ų17264.8 Ų64.875%0.74836%0.355SS*.Hα-helixtrans-67.9-42.6173.3-72.4-178.8-179.9175.50112.4S1069 Y1074 F1075S1069-K1071 PolarHBondContact O-N 3.37Å; S1069-K1071 VanDerWaalsContact O-N 3.08Å; K1071-Y1074 PolarHBondContact O-N 2.84Å; K1071-F1075 WeakPolarHBondContact O-CB 3.47Å; K1071-F1075 PolarHBondContact O-N 3.11Å
1072L68.4Low69.4Low59 Ų5961 Ų6131%0.30934%0.344SS..Hα-helixtrans-66.9-42.1177.5-175.863.9000111.1S1069 F1075 W1076S1069-L1072 WeakPolarHBondContact O-CB 3.48Å; S1069-L1072 PolarHBondContact O-N 3.36Å; S1069-L1072 PolarHBondContact OG-N 2.83Å; L1072-F1075 WeakPolarHBondContact O-CB 3.48Å; L1072-F1075 PolarHBondContact O-N 3.02Å; L1072-W1076 HydrophobicContact CD1-CD2 4.42Å; L1072-W1076 HydrophobicContact CD1-CZ2 3.94Å; L1072-W1076 HydrophobicContact CD2-CH2 3.57Å; L1072-W1076 HydrophobicContact CD2-CZ2 3.65Å; L1072-W1076 HydrophobicContact CD2-CZ3 4.15Å; L1072-W1076 HydrophobicContact CG-CD2 4.09Å; L1072-W1076 HydrophobicContact CG-CE3 4.27Å; L1072-W1076 HydrophobicContact CG-CH2 3.9Å; L1072-W1076 HydrophobicContact CG-CZ2 3.72Å; L1072-W1076 HydrophobicContact CG-CZ3 4.18Å; L1072-W1076 PolarHBondContact O-N 2.69Å
1073L75.1Confident69.2Low2 Ų261.3 Ų61.31%0.0135%0.349CS..Hα-helixtrans-61-45.7173.2-98140.7000112.4I934 L1059 C1063 S1069 F1075 W1076 M1077 L1087I934-L1073 HydrophobicContact CD1-CB 4.07Å; I934-L1073 HydrophobicContact CD1-CD1 3.6Å; I934-L1073 HydrophobicContact CD1-CG 4.29Å; L1059-L1073 HydrophobicContact CD1-CD2 3.94Å; C1063-L1073 WeakPolarHBondContact SG-CD1 3.45Å; S1069-L1073 PolarHBondContact O-N 2.92Å; L1073-F1075 VanDerWaalsContact C-N 3.34Å; L1073-F1075 PolarHBondContact O-N 3.29Å; L1073-W1076 PolarHBondContact O-N 3.35Å; L1073-M1077 HydrophobicContact CB-CE 4.4Å; L1073-M1077 HydrophobicContact CD2-CE 3.85Å; L1073-M1077 WeakPolarHBondContact O-CG 3.45Å; L1073-M1077 PolarHBondContact O-N 3.06Å; L1073-L1087 HydrophobicContact CD2-CD1 3.75Å; L1073-L1087 HydrophobicContact CD2-CD2 4.24Å
1074Y75.5Confident69.3Low59 Ų5962.3 Ų62.323%0.23136%0.355CS..Hα-helixtrans-62.4-41.7175-175.4-99.3000111.8P1039 A1070 K1071 M1077 V1078 M1097 W1150P1039-Y1074 HydrophobicContact CB-CD2 4.49Å; A1070-Y1074 VanDerWaalsContact O-CB 3.29Å; A1070-Y1074 WeakPolarHBondContact O-CB 3.45Å; A1070-Y1074 PolarHBondContact O-N 2.99Å; K1071-Y1074 PolarHBondContact O-N 2.84Å; Y1074-M1077 WeakPolarHBondContact O-CB 3.24Å; Y1074-M1077 PolarHBondContact O-N 2.98Å; Y1074-V1078 HydrophobicContact CD1-CG2 4.06Å; Y1074-V1078 HydrophobicContact CE1-CG2 3.68Å; Y1074-V1078 HydrophobicContact CE2-CG2 4.37Å; Y1074-V1078 WeakPolarHBondContact O-CG2 3.35Å; Y1074-V1078 PolarHBondContact O-N 3.01Å; Y1074-M1097 HydrophobicContact CD2-CE 4.46Å; Y1074-M1097 HydrophobicContact CD2-SD 4.34Å; Y1074-M1097 HydrophobicContact CE2-CE 4.26Å; Y1074-M1097 HydrophobicContact CE2-SD 3.87Å; Y1074-W1150 WeakPolarHBondContact OH-CH2 3.47Å; Y1074-W1150 WeakPolarHBondContact OH-CZ3 3.44Å
1075F74.1Confident69.4Low103 Ų10365.9 Ų65.945%0.45237%0.367SS..Hα-helixtrans-58.1-48.3175.1177.7-101.1000111.4K1071 L1072 L1073 M1077 V1078 D1079 A1082K1071-F1075 WeakPolarHBondContact O-CB 3.47Å; K1071-F1075 PolarHBondContact O-N 3.11Å; L1072-F1075 WeakPolarHBondContact O-CB 3.48Å; L1072-F1075 PolarHBondContact O-N 3.02Å; L1073-F1075 VanDerWaalsContact C-N 3.34Å; L1073-F1075 PolarHBondContact O-N 3.29Å; F1075-M1077 VanDerWaalsContact C-N 3.31Å; F1075-M1077 PolarHBondContact O-N 3.47Å; F1075-V1078 PolarHBondContact O-N 3.26Å; F1075-V1078 VanDerWaalsContact O-N 3.08Å; F1075-D1079 HydrophobicContact CZ-CB 4.47Å; F1075-D1079 PolarHBondContact O-N 3.18Å; F1075-A1082 HydrophobicContact CD1-CB 4.49Å; F1075-A1082 HydrophobicContact CE1-CB 3.58Å; F1075-A1082 HydrophobicContact CZ-CB 4.14Å
1076W78.5Confident69.5Low29 Ų2961.1 Ų61.111%0.1135%0.351CS..Hα-helixtrans-64.1-30.7175.2-70.2-23.2000114.1F1062 V1066 L1072 L1073 V1078 A1082 S1083 P1084 L1087F1062-W1076 HydrophobicContact CE1-CE3 4.25Å; F1062-W1076 AromaticContact CE1-CZ3 3.75Å; F1062-W1076 HydrophobicContact CE1-CZ3 3.75Å; F1062-W1076 HydrophobicContact CZ-CE3 4.31Å; F1062-W1076 HydrophobicContact CZ-CH2 4.5Å; F1062-W1076 AromaticContact CZ-CZ3 3.74Å; F1062-W1076 HydrophobicContact CZ-CZ3 3.74Å; V1066-W1076 HydrophobicContact CB-CH2 4.4Å; V1066-W1076 HydrophobicContact CG1-CH2 3.9Å; L1072-W1076 HydrophobicContact CD1-CD2 4.42Å; L1072-W1076 HydrophobicContact CD1-CZ2 3.94Å; L1072-W1076 HydrophobicContact CD2-CH2 3.57Å; L1072-W1076 HydrophobicContact CD2-CZ2 3.65Å; L1072-W1076 HydrophobicContact CD2-CZ3 4.15Å; L1072-W1076 HydrophobicContact CG-CD2 4.09Å; L1072-W1076 HydrophobicContact CG-CE3 4.27Å; L1072-W1076 HydrophobicContact CG-CH2 3.9Å; L1072-W1076 HydrophobicContact CG-CZ2 3.72Å; L1072-W1076 HydrophobicContact CG-CZ3 4.18Å; L1072-W1076 PolarHBondContact O-N 2.69Å; L1073-W1076 PolarHBondContact O-N 3.35Å; W1076-V1078 VanDerWaalsContact C-N 3.33Å; W1076-A1082 PolarHBondContact NE1-O 3.11Å; W1076-S1083 WeakPolarHBondContact O-CB 3.48Å; W1076-P1084 HydrophobicContact CD2-CG 4.33Å; W1076-P1084 HydrophobicContact CE3-CG 4.27Å; W1076-P1084 HydrophobicContact CH2-CG 4.02Å; W1076-P1084 HydrophobicContact CZ2-CG 4.05Å; W1076-P1084 HydrophobicContact CZ3-CG 4.13Å; W1076-L1087 HydrophobicContact CB-CD2 3.47Å; W1076-L1087 VanDerWaalsContact CB-CD2 3.47Å; W1076-L1087 HydrophobicContact CE3-CD2 4.16Å; W1076-L1087 HydrophobicContact CG-CD2 4.4Å
1077M75.2Confident70.2Confident3 Ų358.4 Ų58.42%0.01534%0.335CS..Hα-helixtrans-72.7-26.1173.1-68.2169-169.700112.8A1041 V1052 L1073 Y1074 F1075 L1087 N1090 R1094A1041-M1077 HydrophobicContact CB-CE 4.36Å; V1052-M1077 HydrophobicContact CG1-CE 4.27Å; L1073-M1077 HydrophobicContact CB-CE 4.4Å; L1073-M1077 HydrophobicContact CD2-CE 3.85Å; L1073-M1077 WeakPolarHBondContact O-CG 3.45Å; L1073-M1077 PolarHBondContact O-N 3.06Å; Y1074-M1077 WeakPolarHBondContact O-CB 3.24Å; Y1074-M1077 PolarHBondContact O-N 2.98Å; F1075-M1077 VanDerWaalsContact C-N 3.31Å; F1075-M1077 PolarHBondContact O-N 3.47Å; M1077-L1087 HydrophobicContact CG-CD2 4.44Å; M1077-N1090 HydrophobicContact CG-CB 4.03Å; M1077-N1090 HydrophobicContact SD-CB 4.01Å; M1077-N1090 PolarHBondContact SD-ND2 3.12Å; M1077-R1094 PolarHBondContact O-NH1 3.03Å
1078V70.9Confident71.3Confident39 Ų3954.8 Ų54.824%0.23631%0.305CS..Hα-helixtrans-85.7-45.1178.8173.30000111.1Y1074 F1075 W1076 P1080Y1074-V1078 HydrophobicContact CD1-CG2 4.06Å; Y1074-V1078 HydrophobicContact CE1-CG2 3.68Å; Y1074-V1078 HydrophobicContact CE2-CG2 4.37Å; Y1074-V1078 WeakPolarHBondContact O-CG2 3.35Å; Y1074-V1078 PolarHBondContact O-N 3.01Å; F1075-V1078 PolarHBondContact O-N 3.26Å; F1075-V1078 VanDerWaalsContact O-N 3.08Å; W1076-V1078 VanDerWaalsContact C-N 3.33Å; V1078-P1080 WeakPolarHBondContact O-CD 3.41Å
1079D70.6Confident72.5Confident54 Ų5459.3 Ų59.329%0.28932%0.317SS..  trans-11393.5-178.1-1754.2000111.9F1075 S1081 A1082F1075-D1079 HydrophobicContact CZ-CB 4.47Å; F1075-D1079 PolarHBondContact O-N 3.18Å; D1079-S1081 VanDerWaalsContact CG-OG 3.27Å; D1079-S1081 PolarHBondContact O-N 3Å; D1079-S1081 VanDerWaalsContact O-N 3.17Å; D1079-S1081 VanDerWaalsContact OD1-CB 3.29Å; D1079-S1081 WeakPolarHBondContact OD1-CB 3.32Å; D1079-S1081 PolarHBondContact OD1-N 3.16Å; D1079-S1081 PolarHBondContact OD1-OG 3.3Å; D1079-S1081 PolarHBondContact OD2-OG 3.41Å; D1079-A1082 PolarHBondContact O-N 3.33Å
1080P65.9Low73.7Confident64 Ų6456.7 Ų56.742%0.41630%0.299SS..THydrogen-bonded Turntrans-68.8-8.3177.726.8-32000113.7V1078 A1082 S1083V1078-P1080 WeakPolarHBondContact O-CD 3.41Å; P1080-A1082 VanDerWaalsContact C-N 3.35Å; P1080-S1083 PolarHBondContact O-OG 2.75Å
1081S68.2Low74.7Confident105 Ų10557.9 Ų57.973%0.73430%0.304SS*.THydrogen-bonded Turntrans-78.7-22.7175760000112.6D1079D1079-S1081 VanDerWaalsContact CG-OG 3.27Å; D1079-S1081 PolarHBondContact O-N 3Å; D1079-S1081 VanDerWaalsContact O-N 3.17Å; D1079-S1081 VanDerWaalsContact OD1-CB 3.29Å; D1079-S1081 WeakPolarHBondContact OD1-CB 3.32Å; D1079-S1081 PolarHBondContact OD1-N 3.16Å; D1079-S1081 PolarHBondContact OD1-OG 3.3Å; D1079-S1081 PolarHBondContact OD2-OG 3.41Å
1082A66Low75.8Confident44 Ų4450 Ų5036%0.36427%0.269SS..SBendtrans-103.7-1.5178.100000113.6F1075 W1076 D1079 P1080F1075-A1082 HydrophobicContact CD1-CB 4.49Å; F1075-A1082 HydrophobicContact CE1-CB 3.58Å; F1075-A1082 HydrophobicContact CZ-CB 4.14Å; W1076-A1082 PolarHBondContact NE1-O 3.11Å; D1079-A1082 PolarHBondContact O-N 3.33Å; P1080-A1082 VanDerWaalsContact C-N 3.35Å
1083S72.8Confident76.8Confident25 Ų2547.1 Ų47.118%0.17525%0.254CS..SBendtrans-87.4146.9-175.280.30000113.5W1076 P1080W1076-S1083 WeakPolarHBondContact O-CB 3.48Å; P1080-S1083 PolarHBondContact O-OG 2.75Å
1084P74.6Confident77.4Confident39 Ų3949.2 Ų49.225%0.25326%0.262SS..  trans-60.3140.6166.1-26.238.3000111.1F1062 W1076 S1086 L1087F1062-P1084 HydrophobicContact CE2-CB 4.29Å; F1062-P1084 HydrophobicContact CE2-CG 4.43Å; F1062-P1084 HydrophobicContact CZ-CB 4.2Å; F1062-P1084 HydrophobicContact CZ-CG 3.97Å; W1076-P1084 HydrophobicContact CD2-CG 4.33Å; W1076-P1084 HydrophobicContact CE3-CG 4.27Å; W1076-P1084 HydrophobicContact CH2-CG 4.02Å; W1076-P1084 HydrophobicContact CZ2-CG 4.05Å; W1076-P1084 HydrophobicContact CZ3-CG 4.13Å; P1084-S1086 PolarHBondContact O-N 2.89Å; P1084-L1087 PolarHBondContact O-N 3.23Å
1085H74.5Confident77.9Confident200 Ų20047.7 Ų47.793%0.92626%0.258SS*.THydrogen-bonded Turntrans-57.5-19.1-178.5-68.7-48.2000114.8L1087H1085-L1087 VanDerWaalsContact C-N 3.35Å
1086S72.3Confident78.5Confident58 Ų5842.8 Ų42.841%0.40624%0.236SC..THydrogen-bonded Turntrans-78.9-11.9176.951.20000114.3P1084P1084-S1086 PolarHBondContact O-N 2.89Å
1087L80.8Confident78.9Confident10 Ų1042 Ų425%0.05223%0.234CC..  trans-104.6120.7-176.6-161.687.4000111.6V1052 L1059 F1062 L1073 W1076 M1077 P1084 H1085V1052-L1087 HydrophobicContact CG1-CD1 3.47Å; V1052-L1087 VanDerWaalsContact CG1-CD1 3.47Å; V1052-L1087 HydrophobicContact CG1-CG 3.89Å; L1059-L1087 HydrophobicContact CD1-CD1 4.09Å; F1062-L1087 HydrophobicContact CD1-CD1 4.43Å; F1062-L1087 HydrophobicContact CE1-CD1 3.96Å; F1062-L1087 HydrophobicContact CZ-CD1 4.49Å; L1073-L1087 HydrophobicContact CD2-CD1 3.75Å; L1073-L1087 HydrophobicContact CD2-CD2 4.24Å; W1076-L1087 HydrophobicContact CB-CD2 3.47Å; W1076-L1087 VanDerWaalsContact CB-CD2 3.47Å; W1076-L1087 HydrophobicContact CE3-CD2 4.16Å; W1076-L1087 HydrophobicContact CG-CD2 4.4Å; M1077-L1087 HydrophobicContact CG-CD2 4.44Å; P1084-L1087 PolarHBondContact O-N 3.23Å; H1085-L1087 VanDerWaalsContact C-N 3.35Å
1088G80.7Confident79.3Confident5 Ų542.8 Ų42.85%0.05224%0.24CC..  trans-77169.2177.300000114.8L1048 G1051 V1052 N1090L1048-G1088 CarbonylContact O-C 3.51Å; L1048-G1088 WeakPolarHBondContact O-CA 3.36Å; G1051-G1088 CarbonylContact O-C 3.4Å; V1052-G1088 PolarHBondContact O-N 3.11Å; G1088-N1090 VanDerWaalsContact C-N 3.33Å; G1088-N1090 PolarHBondContact O-N 3.25Å
1089R84Confident79.7Confident111 Ų11141.5 Ų41.542%0.41923%0.232SC..  trans-71.2-21.8-174.1-70.3-171.9169.6-173.3-1.6114.8D1006 L1048 L1091D1006-R1089 IonicContact OD1-NH1 3.63Å; L1048-R1089 PolarHBondContact O-N 3.45Å; R1089-L1091 PolarHBondContact O-N 3.35Å; R1089-L1091 VanDerWaalsContact O-N 3.16Å
1090N88.9Confident80.4Confident0 Ų039.7 Ų39.70%022%0.221CC..  trans50.141.2179.9-172.642.1000113.6L1040 Y1042 L1050 G1051 V1052 M1077 G1088 W1092 G1093 R1094L1040-N1090 PolarHBondContact O-ND2 2.88Å; Y1042-N1090 PolarHBondContact N-OD1 2.9Å; L1050-N1090 CarbonylContact O-C 3.58Å; L1050-N1090 WeakPolarHBondContact O-CA 3.2Å; G1051-N1090 WeakPolarHBondContact O-CA 3.49Å; G1051-N1090 PolarHBondContact O-N 3.26Å; V1052-N1090 HydrophobicContact CG2-CB 4.25Å; M1077-N1090 HydrophobicContact CG-CB 4.03Å; M1077-N1090 HydrophobicContact SD-CB 4.01Å; M1077-N1090 PolarHBondContact SD-ND2 3.12Å; G1088-N1090 VanDerWaalsContact C-N 3.33Å; G1088-N1090 PolarHBondContact O-N 3.25Å; N1090-W1092 PolarHBondContact O-N 3.34Å; N1090-G1093 PolarHBondContact O-N 2.94Å; N1090-R1094 WeakPolarHBondContact O-CG 3.48Å; N1090-R1094 PolarHBondContact O-N 3.26Å; N1090-R1094 VanDerWaalsContact O-N 3.11Å
1091L85.6Confident81Confident34 Ų3440.1 Ų40.118%0.17821%0.214CC..Hα-helixtrans-59-36.7-174.1-17269.5000112.2I1014 Y1049 L1050 R1089 R1094 L1095I1014-L1091 HydrophobicContact CD1-CD2 3.67Å; Y1049-L1091 HydrophobicContact CD1-CD2 4.44Å; Y1049-L1091 HydrophobicContact CE1-CD2 3.68Å; Y1049-L1091 VanDerWaalsContact O-CB 3.31Å; Y1049-L1091 WeakPolarHBondContact O-CB 3.3Å; Y1049-L1091 PolarHBondContact O-N 3.07Å; L1050-L1091 PolarHBondContact O-N 3.23Å; R1089-L1091 PolarHBondContact O-N 3.35Å; R1089-L1091 VanDerWaalsContact O-N 3.16Å; L1091-R1094 PolarHBondContact O-N 3.05Å; L1091-L1095 HydrophobicContact CG-CD1 4.29Å; L1091-L1095 WeakPolarHBondContact O-CG 2.91Å; L1091-L1095 PolarHBondContact O-N 3.46Å
1092W89.9Confident81.2Confident6 Ų637 Ų372%0.02319%0.189CC..Hα-helixtrans-64.1-47.1179.5-170.9-98.5000112.1F937 L943 P945 A961 I1014 C1017 V1018 M1021 Y1042 L1050 N1090 R1094 L1095 L1096F937-W1092 AromaticContact CE2-CD1 3.96Å; F937-W1092 AromaticContact CZ-CD1 3.92Å; L943-W1092 PolarHBondContact O-NE1 2.97Å; P945-W1092 HydrophobicContact CB-CD2 4.09Å; P945-W1092 HydrophobicContact CB-CE3 4.13Å; P945-W1092 HydrophobicContact CB-CH2 3.82Å; P945-W1092 HydrophobicContact CB-CZ2 3.72Å; P945-W1092 HydrophobicContact CB-CZ3 4.01Å; P945-W1092 HydrophobicContact CG-CD2 4.24Å; A961-W1092 HydrophobicContact CB-CH2 3.55Å; A961-W1092 HydrophobicContact CB-CZ2 4.21Å; A961-W1092 HydrophobicContact CB-CZ3 4.44Å; I1014-W1092 HydrophobicContact CG2-CE3 4.07Å; I1014-W1092 HydrophobicContact CG2-CZ3 4.18Å; C1017-W1092 HydrophobicContact CB-CH2 4.34Å; C1017-W1092 HydrophobicContact CB-CZ3 4.36Å; V1018-W1092 HydrophobicContact CG2-CD2 4.33Å; V1018-W1092 HydrophobicContact CG2-CE3 3.88Å; V1018-W1092 HydrophobicContact CG2-CH2 3.69Å; V1018-W1092 HydrophobicContact CG2-CZ2 4.19Å; V1018-W1092 HydrophobicContact CG2-CZ3 3.54Å; M1021-W1092 HydrophobicContact CE-CH2 4.41Å; M1021-W1092 HydrophobicContact CE-CZ2 3.62Å; M1021-W1092 HydrophobicContact SD-CZ2 3.93Å; Y1042-W1092 HydrophobicContact CD1-CB 4.43Å; L1050-W1092 HydrophobicContact CB-CB 4.21Å; L1050-W1092 VanDerWaalsContact O-CB 3.31Å; L1050-W1092 WeakPolarHBondContact O-CB 3.33Å; L1050-W1092 PolarHBondContact O-N 2.84Å; L1050-W1092 VanDerWaalsContact O-N 3.12Å; N1090-W1092 PolarHBondContact O-N 3.34Å; W1092-R1094 VanDerWaalsContact C-N 3.33Å; W1092-R1094 PolarHBondContact O-N 2.78Å; W1092-L1095 PolarHBondContact O-N 3.31Å; W1092-L1096 WeakPolarHBondContact O-CG 3.33Å; W1092-L1096 PolarHBondContact O-N 2.58Å; W1092-L1096 VanDerWaalsContact O-N 3.11Å
1093G89Confident81.4Confident0 Ų036.5 Ų36.50%018%0.18CC..Hα-helixtrans-60.3-41.8174.900000112.4L1040 N1090 L1096 M1097L1040-G1093 WeakPolarHBondContact O-CA 3.47Å; N1090-G1093 PolarHBondContact O-N 2.94Å; G1093-L1096 PolarHBondContact O-N 3.34Å; G1093-M1097 WeakPolarHBondContact O-CE 3.48Å; G1093-M1097 VanDerWaalsContact O-CG 3.29Å; G1093-M1097 WeakPolarHBondContact O-CG 3.49Å; G1093-M1097 PolarHBondContact O-N 2.81Å
1094R86.8Confident81.2Confident46 Ų4639.1 Ų39.117%0.17419%0.192CC..Hα-helixtrans-63-41.2177.3-71.2176.157.9-179.5-2.5113.2M1077 N1090 L1091 W1092 M1097 S1098M1077-R1094 PolarHBondContact O-NH1 3.03Å; N1090-R1094 WeakPolarHBondContact O-CG 3.48Å; N1090-R1094 PolarHBondContact O-N 3.26Å; N1090-R1094 VanDerWaalsContact O-N 3.11Å; L1091-R1094 PolarHBondContact O-N 3.05Å; W1092-R1094 VanDerWaalsContact C-N 3.33Å; W1092-R1094 PolarHBondContact O-N 2.78Å; R1094-M1097 HydrophobicContact CG-CE 4.5Å; R1094-M1097 WeakPolarHBondContact O-CB 3.39Å; R1094-M1097 PolarHBondContact O-N 3.26Å; R1094-S1098 PolarHBondContact O-N 3.28Å
1095L85.7Confident80.5Confident27 Ų2741.7 Ų41.714%0.14120%0.196CC..Hα-helixtrans-67.6-41.8178.1-72.8175.2000112.2I1014 V1018 L1091 W1092 M1097 S1098 I1099I1014-L1095 HydrophobicContact CB-CD1 4.13Å; I1014-L1095 HydrophobicContact CG2-CD1 3.29Å; V1018-L1095 HydrophobicContact CG2-CB 4.19Å; V1018-L1095 HydrophobicContact CG2-CD1 4.32Å; L1091-L1095 HydrophobicContact CG-CD1 4.29Å; L1091-L1095 WeakPolarHBondContact O-CG 2.91Å; L1091-L1095 PolarHBondContact O-N 3.46Å; W1092-L1095 PolarHBondContact O-N 3.31Å; L1095-M1097 VanDerWaalsContact C-N 3.28Å; L1095-M1097 PolarHBondContact O-N 3.16Å; L1095-S1098 WeakPolarHBondContact O-CB 3.34Å; L1095-S1098 PolarHBondContact O-N 3.05Å; L1095-S1098 VanDerWaalsContact O-N 3.14Å; L1095-I1099 PolarHBondContact O-N 2.96Å
1096L88Confident79.6Confident0 Ų034.9 Ų34.90%017%0.17CC..Hα-helixtrans-58.2-41.4172.1-74170.9000111.7F937 L943 V1018 M1021 V1022 L1032 L1040 W1092 G1093 S1098 I1099 R1100F937-L1096 HydrophobicContact CE2-CD1 4.44Å; F937-L1096 HydrophobicContact CZ-CD1 3.86Å; L943-L1096 HydrophobicContact CB-CD1 4.17Å; L943-L1096 HydrophobicContact CD2-CD2 4.43Å; V1018-L1096 HydrophobicContact CG1-CD2 3.56Å; V1018-L1096 HydrophobicContact CG1-CG 4.1Å; M1021-L1096 HydrophobicContact CE-CD2 3.8Å; V1022-L1096 HydrophobicContact CG2-CD2 4.36Å; L1032-L1096 HydrophobicContact CD1-CB 3.91Å; L1032-L1096 HydrophobicContact CD1-CD2 4.14Å; L1032-L1096 HydrophobicContact CD2-CD2 4.27Å; L1040-L1096 HydrophobicContact CD1-CB 3.49Å; L1040-L1096 VanDerWaalsContact CD1-CB 3.49Å; L1040-L1096 HydrophobicContact CD1-CD1 4.4Å; W1092-L1096 WeakPolarHBondContact O-CG 3.33Å; W1092-L1096 PolarHBondContact O-N 2.58Å; W1092-L1096 VanDerWaalsContact O-N 3.11Å; G1093-L1096 PolarHBondContact O-N 3.34Å; L1096-S1098 PolarHBondContact O-N 3.17Å; L1096-I1099 PolarHBondContact O-N 3.31Å; L1096-R1100 VanDerWaalsContact O-CB 3.27Å; L1096-R1100 WeakPolarHBondContact O-CB 3.47Å; L1096-R1100 PolarHBondContact O-N 3.4Å
1097M87.3Confident78.6Confident11 Ų1137 Ų375%0.05418%0.177CC..Hα-helixtrans-63.8-37.3175.2-69.5-178.4-115.200113P1039 L1040 Y1074 G1093 R1094 L1095 R1101P1039-M1097 HydrophobicContact CB-CE 4.44Å; P1039-M1097 HydrophobicContact CB-SD 4.42Å; L1040-M1097 HydrophobicContact CB-CE 3.92Å; L1040-M1097 HydrophobicContact CB-CG 4.1Å; L1040-M1097 HydrophobicContact CD1-CG 3.82Å; L1040-M1097 HydrophobicContact CG-CG 3.79Å; L1040-M1097 WeakPolarHBondContact O-CE 3.46Å; Y1074-M1097 HydrophobicContact CD2-CE 4.46Å; Y1074-M1097 HydrophobicContact CD2-SD 4.34Å; Y1074-M1097 HydrophobicContact CE2-CE 4.26Å; Y1074-M1097 HydrophobicContact CE2-SD 3.87Å; G1093-M1097 WeakPolarHBondContact O-CE 3.48Å; G1093-M1097 VanDerWaalsContact O-CG 3.29Å; G1093-M1097 WeakPolarHBondContact O-CG 3.49Å; G1093-M1097 PolarHBondContact O-N 2.81Å; R1094-M1097 HydrophobicContact CG-CE 4.5Å; R1094-M1097 WeakPolarHBondContact O-CB 3.39Å; R1094-M1097 PolarHBondContact O-N 3.26Å; L1095-M1097 VanDerWaalsContact C-N 3.28Å; L1095-M1097 PolarHBondContact O-N 3.16Å; M1097-R1101 PolarHBondContact O-N 3.12Å; M1097-R1101 VanDerWaalsContact O-N 3.1Å
1098S81.9Confident76.5Confident21 Ų2143.6 Ų43.615%0.14721%0.208CC..Hα-helixtrans-64.9-50.1176.4-164.90000111.2R1094 L1095 L1096 R1100 R1101 D1102R1094-S1098 PolarHBondContact O-N 3.28Å; L1095-S1098 WeakPolarHBondContact O-CB 3.34Å; L1095-S1098 PolarHBondContact O-N 3.05Å; L1095-S1098 VanDerWaalsContact O-N 3.14Å; L1096-S1098 PolarHBondContact O-N 3.17Å; S1098-R1100 VanDerWaalsContact C-N 3.3Å; S1098-R1100 PolarHBondContact O-N 3.23Å; S1098-R1101 WeakPolarHBondContact O-CB 3.41Å; S1098-R1101 PolarHBondContact O-N 2.89Å; S1098-D1102 PolarHBondContact O-N 3.46Å
1099I80.9Confident74.5Confident12 Ų1248.2 Ų48.26%0.06223%0.23CC..Hα-helixtrans-62.6-39.8178.7-70.1161.6000110.9V1018 D1019 V1022 L1032 L1095 L1096 R1101 D1102 L1103V1018-I1099 HydrophobicContact CB-CD1 3.71Å; V1018-I1099 HydrophobicContact CG1-CD1 3.27Å; D1019-I1099 VanDerWaalsContact OD1-CD1 3.29Å; D1019-I1099 WeakPolarHBondContact OD1-CD1 3.37Å; V1022-I1099 HydrophobicContact CB-CG2 4.2Å; V1022-I1099 HydrophobicContact CG1-CG2 3.85Å; V1022-I1099 HydrophobicContact CG2-CG2 4.24Å; L1032-I1099 HydrophobicContact CD2-CG2 4.13Å; L1095-I1099 PolarHBondContact O-N 2.96Å; L1096-I1099 PolarHBondContact O-N 3.31Å; I1099-R1101 VanDerWaalsContact C-N 3.28Å; I1099-R1101 PolarHBondContact O-N 2.7Å; I1099-D1102 PolarHBondContact O-N 3.36Å; I1099-L1103 HydrophobicContact CG2-CD1 4Å; I1099-L1103 HydrophobicContact CG2-CG 4.32Å; I1099-L1103 WeakPolarHBondContact O-CB 3.41Å; I1099-L1103 VanDerWaalsContact O-CG 3.25Å; I1099-L1103 WeakPolarHBondContact O-CG 3.43Å; I1099-L1103 PolarHBondContact O-N 3.13Å
1100R84.6Confident72Confident16 Ų1647 Ų476%0.0624%0.239CC..Hα-helixtrans-56.2-42.5172.9-174.7177.767.8179.86.3111.8L1032 M1033 T1035 A1036 D1037 L1038 L1096 S1098 L1104L1032-R1100 HydrophobicContact CD1-CB 4.21Å; L1032-R1100 HydrophobicContact CD2-CB 4.21Å; L1032-R1100 HydrophobicContact CG-CB 3.97Å; L1032-R1100 HydrophobicContact CG-CG 4.33Å; L1032-R1100 WeakPolarHBondContact O-CD 3.34Å; M1033-R1100 HydrophobicContact SD-CG 4.37Å; T1035-R1100 PolarHBondContact O-NH1 2.84Å; T1035-R1100 VanDerWaalsContact O-NH1 3.16Å; T1035-R1100 VanDerWaalsContact OG1-CD 3.31Å; T1035-R1100 WeakPolarHBondContact OG1-CD 3.39Å; T1035-R1100 PolarHBondContact OG1-NH1 2.87Å; A1036-R1100 WeakPolarHBondContact O-CD 3.39Å; A1036-R1100 PolarHBondContact O-NE 2.89Å; A1036-R1100 PolarHBondContact O-NH1 2.92Å; A1036-R1100 VanDerWaalsContact O-NH1 3.11Å; A1036-R1100 PolarHBondContact O-NH2 3.37Å; D1037-R1100 PolarHBondContact O-NH2 3.38Å; L1038-R1100 VanDerWaalsContact O-CZ 3.31Å; L1038-R1100 PolarHBondContact O-NH1 3.32Å; L1038-R1100 PolarHBondContact O-NH2 3.33Å; L1096-R1100 VanDerWaalsContact O-CB 3.27Å; L1096-R1100 WeakPolarHBondContact O-CB 3.47Å; L1096-R1100 PolarHBondContact O-N 3.4Å; S1098-R1100 VanDerWaalsContact C-N 3.3Å; S1098-R1100 PolarHBondContact O-N 3.23Å; R1100-L1104 HydrophobicContact CG-CD1 4.43Å; R1100-L1104 WeakPolarHBondContact O-CG 3.42Å; R1100-L1104 PolarHBondContact O-N 3.5Å; R1100-L1104 VanDerWaalsContact O-N 3.1Å
1101R78.7Confident69.3Low72 Ų7255.3 Ų55.327%0.27228%0.277SS..Hα-helixtrans-66.7-41.6177.4-167.9-173.2-61.2155.3-0.5112.1M1097 S1098 I1099 L1103 L1104 R1105M1097-R1101 PolarHBondContact O-N 3.12Å; M1097-R1101 VanDerWaalsContact O-N 3.1Å; S1098-R1101 WeakPolarHBondContact O-CB 3.41Å; S1098-R1101 PolarHBondContact O-N 2.89Å; I1099-R1101 VanDerWaalsContact C-N 3.28Å; I1099-R1101 PolarHBondContact O-N 2.7Å; R1101-L1103 VanDerWaalsContact C-N 3.34Å; R1101-L1104 PolarHBondContact O-N 2.61Å; R1101-R1105 WeakPolarHBondContact O-CG 3.48Å; R1101-R1105 PolarHBondContact O-N 3.17Å
1102D72.1Confident66.5Low39 Ų3959.6 Ų59.621%0.20931%0.305CS..Hα-helixtrans-66.9-37178.4-65-27.1000111.8S1098 I1099 R1105 C1106S1098-D1102 PolarHBondContact O-N 3.46Å; I1099-D1102 PolarHBondContact O-N 3.36Å; D1102-R1105 PolarHBondContact O-N 2.95Å; D1102-C1106 PolarHBondContact O-N 2.92Å; D1102-C1106 PolarHBondContact O-SG 2.68Å
1103L71.3Confident63.4Low35 Ų3567 Ų6718%0.18334%0.342CS..Hα-helixtrans-65.1-39.5173.3-71.7171.8000112.5V1022 K1029 L1032 M1033 I1099 R1101 C1106 N1107V1022-L1103 HydrophobicContact CG1-CD1 3.87Å; K1029-L1103 HydrophobicContact CD-CD2 4.32Å; K1029-L1103 HydrophobicContact CG-CD1 3.96Å; K1029-L1103 HydrophobicContact CG-CD2 4.49Å; L1032-L1103 HydrophobicContact CD2-CD1 4.44Å; M1033-L1103 HydrophobicContact SD-CB 3.74Å; M1033-L1103 HydrophobicContact SD-CD1 4.21Å; I1099-L1103 HydrophobicContact CG2-CD1 4Å; I1099-L1103 HydrophobicContact CG2-CG 4.32Å; I1099-L1103 WeakPolarHBondContact O-CB 3.41Å; I1099-L1103 VanDerWaalsContact O-CG 3.25Å; I1099-L1103 WeakPolarHBondContact O-CG 3.43Å; I1099-L1103 PolarHBondContact O-N 3.13Å; R1101-L1103 VanDerWaalsContact C-N 3.34Å; L1103-C1106 PolarHBondContact O-N 3.25Å; L1103-N1107 PolarHBondContact O-N 3.21Å
1104L67.5Low60.3Low80 Ų8074.4 Ų74.442%0.41938%0.381SS..Hα-helixtrans-63.8-45.7174.2-74.8163.5000111.4M1033 R1100 R1101 C1106 N1107 E1108M1033-L1104 HydrophobicContact CE-CD2 3.39Å; M1033-L1104 HydrophobicContact CE-CG 3.69Å; M1033-L1104 HydrophobicContact SD-CG 4.27Å; R1100-L1104 HydrophobicContact CG-CD1 4.43Å; R1100-L1104 WeakPolarHBondContact O-CG 3.42Å; R1100-L1104 PolarHBondContact O-N 3.5Å; R1100-L1104 VanDerWaalsContact O-N 3.1Å; R1101-L1104 PolarHBondContact O-N 2.61Å; L1104-C1106 VanDerWaalsContact C-N 3.35Å; L1104-C1106 PolarHBondContact O-N 3.21Å; L1104-N1107 PolarHBondContact O-N 3.07Å; L1104-E1108 PolarHBondContact O-N 3.4Å
1105R61.2Low57.4Low93 Ų9378 Ų7835%0.35141%0.41SS..Hα-helixtrans-61.1-39.8175.9-73.7-178.7175.6-162.6-4.4112.4R1101 D1102 N1107 E1108 I1109 E1153R1101-R1105 WeakPolarHBondContact O-CG 3.48Å; R1101-R1105 PolarHBondContact O-N 3.17Å; D1102-R1105 PolarHBondContact O-N 2.95Å; R1105-N1107 VanDerWaalsContact C-N 3.32Å; R1105-N1107 PolarHBondContact O-N 3.07Å; R1105-E1108 PolarHBondContact O-N 2.99Å; R1105-I1109 WeakPolarHBondContact O-CD1 3.31Å; R1105-I1109 VanDerWaalsContact O-CG1 3.3Å; R1105-I1109 WeakPolarHBondContact O-CG1 3.45Å; R1105-I1109 PolarHBondContact O-N 3.23Å; R1105-E1153 IonicContact CZ-OE1 2.69Å; R1105-E1153 VanDerWaalsContact CZ-OE1 3.24Å; R1105-E1153 IonicContact NH1-OE1 3Å; R1105-E1153 PolarHBondContact NH1-OE1 2.98Å; R1105-E1153 IonicContact NH2-OE1 3.41Å; R1105-E1153 PolarHBondContact NH2-OE1 2.87Å; R1105-E1153 IonicContact NH2-OE2 3.89Å
1106C54.7Low54.5Low56 Ų5683.4 Ų83.438%0.37844%0.444SS..Hα-helixtrans-65.5-31.5176.5-700000113.3D1102 L1103 L1104 S1110D1102-C1106 PolarHBondContact O-N 2.92Å; D1102-C1106 PolarHBondContact O-SG 2.68Å; L1103-C1106 PolarHBondContact O-N 3.25Å; L1104-C1106 VanDerWaalsContact C-N 3.35Å; L1104-C1106 PolarHBondContact O-N 3.21Å; C1106-S1110 PolarHBondContact O-OG 3.12Å
1107N50.2Low51.4Low103 Ų10391.9 Ų91.955%0.55148%0.483SS*.Hα-helixtrans-74-31.8176.2-84.5-14.1000112.8L1103 L1104 R1105L1103-N1107 PolarHBondContact O-N 3.21Å; L1104-N1107 PolarHBondContact O-N 3.07Å; R1105-N1107 VanDerWaalsContact C-N 3.32Å; R1105-N1107 PolarHBondContact O-N 3.07Å
1108E37.3Very low48.3Very low149 Ų14996.8 Ų96.870%0.69652%0.516SS*.Hα-helixtrans-71.6-30.6175.7-70.9176.9166.700112.8L1104 R1105 S1110L1104-E1108 PolarHBondContact O-N 3.4Å; R1105-E1108 PolarHBondContact O-N 2.99Å; E1108-S1110 VanDerWaalsContact C-N 3.32Å
1109I38.8Very low45.6Very low102 Ų102101.4 Ų101.452%0.52355%0.547SS..Hα-helixtrans-80-15.7179.8-61.8164.2000112.1R1105 H1111 T1112 M1113R1105-I1109 WeakPolarHBondContact O-CD1 3.31Å; R1105-I1109 VanDerWaalsContact O-CG1 3.3Å; R1105-I1109 WeakPolarHBondContact O-CG1 3.45Å; R1105-I1109 PolarHBondContact O-N 3.23Å; I1109-H1111 PolarHBondContact O-N 3.1Å; I1109-H1111 VanDerWaalsContact O-N 3.14Å; I1109-T1112 PolarHBondContact O-N 2.83Å; I1109-M1113 HydrophobicContact CG2-CG 4.23Å
1110S32.2Very low42.8Very low86 Ų86108.1 Ų108.160%0.60158%0.583SS**THydrogen-bonded Turntrans-73-3.2-173.2-68.10000115.3C1106 E1108C1106-S1110 PolarHBondContact O-OG 3.12Å; E1108-S1110 VanDerWaalsContact C-N 3.32Å
1111H31.1Very low40Very low174 Ų174114 Ų11481%0.80662%0.615SS**THydrogen-bonded Turntrans-92.22.2175-73.2-65.7000114.8I1109I1109-H1111 PolarHBondContact O-N 3.1Å; I1109-H1111 VanDerWaalsContact O-N 3.14Å
1112T27.2Very low37.3Very low124 Ų124120.9 Ų120.976%0.76165%0.647SS**SBendtrans-145.310.6-171.8-2.80000117.9I1109I1109-T1112 PolarHBondContact O-N 2.83Å
1113M25.1Very low35.1Very low160 Ų160127.9 Ų127.979%0.78868%0.678SS**  trans-126.3131.4-174.2-76.2-99.3155.400113.9I1109I1109-M1113 HydrophobicContact CG2-CG 4.23Å
1114L24.6Very low33Very low157 Ų157135.8 Ų135.882%0.82271%0.714SS**PPolyproline II helixtrans-56.7154.5-178.3-77154.1000113.6V1116L1114-V1116 PolarHBondContact O-N 3Å
1115P24.1Very low31Very low121 Ų121135 Ų13579%0.78673%0.725SS**PPolyproline II helixtrans-68.6119.7-172.928.2-33.2000111.5
1116V25.5Very low29.3Very low141 Ų141138.3 Ų138.386%0.85575%0.75SS**PPolyproline II helixtrans-85.6118.1170.2-178.20000108.4L1114L1114-V1116 PolarHBondContact O-N 3Å
1117Q23.9Very low27.9Very low177 Ų177146.1 Ų146.183%0.82778%0.778SS**PPolyproline II helixtrans-60.1145.7179-83.1-177.1-33.900112.4C1119Q1117-C1119 PolarHBondContact O-N 2.85Å
1118P22.3Very low26.7Very low114 Ų114146.8 Ų146.874%0.7479%0.786SS**PPolyproline II helixtrans-72.8118.6173.429.5-30.5000109.9N1120P1118-N1120 PolarHBondContact O-N 2.77Å
1119C24Very low26.2Very low119 Ų119144.8 Ų144.880%0.80479%0.785SS**  trans-82.1101-179.9-143.60000110.3Q1117Q1117-C1119 PolarHBondContact O-N 2.85Å
1120N22.7Very low26Very low153 Ų153146 Ų14682%0.81880%0.8SS**  trans-78106.7164.9-73.3-29.3000109.3P1118P1118-N1120 PolarHBondContact O-N 2.77Å
1121I25.3Very low26Very low140 Ų140144.7 Ų144.772%0.71879%0.786SS**  trans-147.897.8158-50.8179.1000110
1122F23.1Very low26.7Very low215 Ų215139 Ų13994%0.94377%0.766SS**  trans-99.5106.3146.4-90.9-88.3000105.5
1123E24.8Very low27.4Very low187 Ų187134.8 Ų134.887%0.87474%0.738SS**  trans-144.6148.8158.8-77.3-163.3164.200110.5
1124E27Very low28Very low200 Ų200132.1 Ų132.194%0.93572%0.722SS**  trans-76.4155.5-154.4-60.6167.5140.400115.2
1125G25.4Very low29Very low63 Ų63127.9 Ų127.965%0.64970%0.701SS**  trans88.597.5146.500000117.8
1126N25.8Very low30.1Very low163 Ų163125.2 Ų125.287%0.87268%0.678SS**  171.9134.8121.3-87.4-36.5000111.5V1128N1126-V1128 PolarHBondContact O-N 2.92Å
1127F25.3Very low30.7Very low221 Ų221119.4 Ų119.497%0.96964%0.642SS**  trans-59.5118.5-179.1-89.5-105.9000112.4
1128V25.2Very low31.4Very low117 Ų117113.2 Ų113.271%0.70962%0.618SS**  trans-131.2142.9167.7179.70000106.7N1126N1126-V1128 PolarHBondContact O-N 2.92Å
1129P26.9Very low32.2Very low107 Ų107116.7 Ų116.770%0.69562%0.616SS**  trans-57.1153-175.9-17.329.6000111.2L1131P1129-L1131 PolarHBondContact O-N 2.93Å
1130P33.7Very low32.8Very low128 Ų128120.3 Ų120.383%0.83161%0.613SS**  trans-61.8110.9-175.626-30.9000108.8S1132P1130-S1132 PolarHBondContact O-N 3.41Å
1131L33.6Very low33.3Very low57 Ų57115.8 Ų115.830%0.29859%0.589SS.*  trans-52.7137.6171.1-77.2155.9000108.5P1129 D1135 Q1136P1129-L1131 PolarHBondContact O-N 2.93Å; L1131-D1135 HydrophobicContact CB-CB 3.95Å; L1131-D1135 HydrophobicContact CD2-CB 3.73Å; L1131-D1135 HydrophobicContact CG-CB 4.42Å; L1131-Q1136 HydrophobicContact CB-CG 3.87Å; L1131-Q1136 PolarHBondContact O-NE2 2.97Å
1132S44.1Very low33.6Very low56 Ų56114.4 Ų114.439%0.39259%0.589SS.*  trans-53.3150.2174.470.50000110P1130 F1134 D1135 Q1136P1130-S1132 PolarHBondContact O-N 3.41Å; S1132-F1134 PolarHBondContact O-N 3.2Å; S1132-F1134 VanDerWaalsContact O-N 3.08Å; S1132-D1135 WeakPolarHBondContact O-CB 3.45Å; S1132-D1135 PolarHBondContact O-N 2.59Å; S1132-D1135 PolarHBondContact OG-N 2.93Å; S1132-D1135 VanDerWaalsContact OG-N 3.1Å; S1132-D1135 PolarHBondContact OG-OD2 3.44Å; S1132-Q1136 PolarHBondContact O-N 2.95Å
1133L42.4Very low34Very low34 Ų34109.5 Ų109.518%0.17857%0.568CS.*Hα-helixtrans-50.2-37.4176.4-165.885000110.7W953 A1012 L1016 Q1136 L1137W953-L1133 HydrophobicContact CZ2-CD1 4.11Å; A1012-L1133 HydrophobicContact CB-CD2 3.98Å; L1016-L1133 HydrophobicContact CD2-CD1 4.32Å; L1133-Q1136 PolarHBondContact O-N 3.16Å; L1133-L1137 HydrophobicContact CD2-CD1 4.25Å; L1133-L1137 HydrophobicContact CG-CD1 4.1Å; L1133-L1137 WeakPolarHBondContact O-CB 3.36Å; L1133-L1137 WeakPolarHBondContact O-CD1 3.36Å; L1133-L1137 VanDerWaalsContact O-CG 3.25Å; L1133-L1137 WeakPolarHBondContact O-CG 3.34Å; L1133-L1137 PolarHBondContact O-N 3.32Å
1134F37.2Very low34.2Very low104 Ų104102.2 Ų102.246%0.45654%0.537SS..Hα-helixtrans-59.2-47.8174-167-93.5000112.8S1132 Q1136 L1137 S1138S1132-F1134 PolarHBondContact O-N 3.2Å; S1132-F1134 VanDerWaalsContact O-N 3.08Å; F1134-Q1136 PolarHBondContact O-N 3.31Å; F1134-L1137 PolarHBondContact O-N 3.34Å; F1134-S1138 VanDerWaalsContact O-CB 3.3Å; F1134-S1138 WeakPolarHBondContact O-CB 3.42Å; F1134-S1138 PolarHBondContact O-N 3.13Å; F1134-S1138 PolarHBondContact O-OG 3.22Å
1135D46.1Very low34.3Very low68 Ų68104 Ų10436%0.36454%0.535SS..Hα-helixtrans-67.8-33.3177.4-71.3-51.9000113.1L1131 S1132 R1139L1131-D1135 HydrophobicContact CB-CB 3.95Å; L1131-D1135 HydrophobicContact CD2-CB 3.73Å; L1131-D1135 HydrophobicContact CG-CB 4.42Å; S1132-D1135 WeakPolarHBondContact O-CB 3.45Å; S1132-D1135 PolarHBondContact O-N 2.59Å; S1132-D1135 PolarHBondContact OG-N 2.93Å; S1132-D1135 VanDerWaalsContact OG-N 3.1Å; S1132-D1135 PolarHBondContact OG-OD2 3.44Å; D1135-R1139 WeakPolarHBondContact O-CG 3.41Å; D1135-R1139 PolarHBondContact O-N 3.17Å
1136Q47.6Very low34.4Very low65 Ų65104.6 Ų104.630%0.30452%0.523SS..Hα-helixtrans-69.2-40.8176.4-65.8-177.92100111.6L1131 S1132 L1133 F1134 R1140L1131-Q1136 HydrophobicContact CB-CG 3.87Å; L1131-Q1136 PolarHBondContact O-NE2 2.97Å; S1132-Q1136 PolarHBondContact O-N 2.95Å; L1133-Q1136 PolarHBondContact O-N 3.16Å; F1134-Q1136 PolarHBondContact O-N 3.31Å; Q1136-R1140 PolarHBondContact O-N 2.62Å
1137L38.4Very low34.5Very low20 Ų20101 Ų10111%0.10551%0.507CS..Hα-helixtrans-69.7-43.1176.4-72.3167.2000111.8A1012 L1016 L1133 F1134 R1139 R1140 N1141A1012-L1137 HydrophobicContact CB-CD1 4.08Å; L1016-L1137 HydrophobicContact CD1-CD2 4.12Å; L1133-L1137 HydrophobicContact CD2-CD1 4.25Å; L1133-L1137 HydrophobicContact CG-CD1 4.1Å; L1133-L1137 WeakPolarHBondContact O-CB 3.36Å; L1133-L1137 WeakPolarHBondContact O-CD1 3.36Å; L1133-L1137 VanDerWaalsContact O-CG 3.25Å; L1133-L1137 WeakPolarHBondContact O-CG 3.34Å; L1133-L1137 PolarHBondContact O-N 3.32Å; F1134-L1137 PolarHBondContact O-N 3.34Å; L1137-R1139 PolarHBondContact O-N 3.49Å; L1137-R1139 VanDerWaalsContact O-N 3.16Å; L1137-R1140 PolarHBondContact O-N 3Å; L1137-R1140 VanDerWaalsContact O-N 3.16Å; L1137-N1141 PolarHBondContact O-N 2.91Å
1138S38.6Very low34.7Very low47 Ų4795.3 Ų95.333%0.32948%0.48SS..Hα-helixtrans-56.2-30.6176.5-59.90000114F1134F1134-S1138 VanDerWaalsContact O-CB 3.3Å; F1134-S1138 WeakPolarHBondContact O-CB 3.42Å; F1134-S1138 PolarHBondContact O-N 3.13Å; F1134-S1138 PolarHBondContact O-OG 3.22Å
1139R39.8Very low34.8Very low186 Ų18690.3 Ų90.370%0.70245%0.45SS*.Hα-helixtrans-88.4-26.2-179.7-72.8-178.9-177.1-169.82.6113.8D1135 L1137D1135-R1139 WeakPolarHBondContact O-CG 3.41Å; D1135-R1139 PolarHBondContact O-N 3.17Å; L1137-R1139 PolarHBondContact O-N 3.49Å; L1137-R1139 VanDerWaalsContact O-N 3.16Å
1140R36.3Very low35Very low195 Ų19589.4 Ų89.474%0.73643%0.432SS*.Hα-helixtrans-86.1-25-178.2-105.8-177.5169.3173-3.4113.1Q1136 L1137Q1136-R1140 PolarHBondContact O-N 2.62Å; L1137-R1140 PolarHBondContact O-N 3Å; L1137-R1140 VanDerWaalsContact O-N 3.16Å
1141N33Very low34.8Very low58 Ų5888.1 Ų88.131%0.3142%0.415SS..  trans-142.8108-175.8-158.1-5000109.8L1137 F1143 C1144L1137-N1141 PolarHBondContact O-N 2.91Å; N1141-F1143 PolarHBondContact O-N 3.48Å; N1141-F1143 WeakPolarHBondContact OD1-CB 3.1Å; N1141-F1143 WeakPolarHBondContact OD1-CD2 3.48Å; N1141-C1144 WeakPolarHBondContact O-CB 3.25Å; N1141-C1144 PolarHBondContact O-N 3.42Å
1142P31.6Very low34.6Very low111 Ų11186.9 Ų86.972%0.72141%0.413SS*.G310 helixtrans-55.6-18.4175.6-21.230.8000113.2
1143F30.7Very low33.9Very low112 Ų11288.2 Ų88.249%0.49141%0.413SS..G310 helixtrans-79.1-11.9178.4-64.1-87.5000114.1N1141 R1145 L1146N1141-F1143 PolarHBondContact O-N 3.48Å; N1141-F1143 WeakPolarHBondContact OD1-CB 3.1Å; N1141-F1143 WeakPolarHBondContact OD1-CD2 3.48Å; F1143-R1145 PolarHBondContact O-N 3.38Å; F1143-L1146 HydrophobicContact CB-CD1 4.1Å; F1143-L1146 HydrophobicContact CD1-CD1 3.84Å; F1143-L1146 HydrophobicContact CG-CD1 4.49Å; F1143-L1146 VanDerWaalsContact O-CB 3.32Å; F1143-L1146 WeakPolarHBondContact O-CB 3.13Å; F1143-L1146 WeakPolarHBondContact O-CD1 3.48Å; F1143-L1146 WeakPolarHBondContact O-CG 3.37Å; F1143-L1146 PolarHBondContact O-N 3.16Å; F1143-L1146 VanDerWaalsContact O-N 3.11Å
1144C28.9Very low33.3Very low34 Ų3491.5 Ų91.523%0.2343%0.431CS..G310 helixtrans-69.3-0.7177.3-760000114.8N1141 L1146N1141-C1144 WeakPolarHBondContact O-CB 3.25Å; N1141-C1144 PolarHBondContact O-N 3.42Å; C1144-L1146 VanDerWaalsContact C-N 3.3Å
1145R28.8Very low32.9Very low237 Ų23790.7 Ų90.789%0.89444%0.437SS*.G310 helixtrans-81.9-3167.9-84.6-175.2174.4-178.3-1.9113.9F1143 V1147F1143-R1145 PolarHBondContact O-N 3.38Å; R1145-V1147 VanDerWaalsContact C-N 3.32Å; R1145-V1147 PolarHBondContact O-N 3.39Å; R1145-V1147 VanDerWaalsContact O-N 3.09Å
1146L28.7Very low32.1Very low76 Ų7691.4 Ų91.440%0.39844%0.439SS..  trans-8864.6-174.6-67.3164.4000112F1143 C1144 Y1148F1143-L1146 HydrophobicContact CB-CD1 4.1Å; F1143-L1146 HydrophobicContact CD1-CD1 3.84Å; F1143-L1146 HydrophobicContact CG-CD1 4.49Å; F1143-L1146 VanDerWaalsContact O-CB 3.32Å; F1143-L1146 WeakPolarHBondContact O-CB 3.13Å; F1143-L1146 WeakPolarHBondContact O-CD1 3.48Å; F1143-L1146 WeakPolarHBondContact O-CG 3.37Å; F1143-L1146 PolarHBondContact O-N 3.16Å; F1143-L1146 VanDerWaalsContact O-N 3.11Å; C1144-L1146 VanDerWaalsContact C-N 3.3Å; L1146-Y1148 PolarHBondContact O-N 2.98Å
1147V28.3Very low31.5Very low87 Ų8795.3 Ų95.353%0.52745%0.45SS..SBendtrans-80.9107.5161.4177.10000105.8R1145R1145-V1147 VanDerWaalsContact C-N 3.32Å; R1145-V1147 PolarHBondContact O-N 3.39Å; R1145-V1147 VanDerWaalsContact O-N 3.09Å
1148Y28Very low31.3Very low103 Ų10399.1 Ų99.140%0.40447%0.474SS..  trans7681-179.3-52.9-84.7000119.5L1146 W1150 E1151 A1152L1146-Y1148 PolarHBondContact O-N 2.98Å; Y1148-W1150 PolarHBondContact O-N 3.05Å; Y1148-W1150 VanDerWaalsContact O-N 3.11Å; Y1148-E1151 HydrophobicContact CD1-CG 4.19Å; Y1148-E1151 WeakPolarHBondContact CD1-OE2 3.17Å; Y1148-E1151 HydrophobicContact CG-CB 4.32Å; Y1148-E1151 HydrophobicContact CG-CG 4.29Å; Y1148-E1151 PolarHBondContact O-N 3.37Å; Y1148-A1152 WeakPolarHBondContact O-CB 3.41Å; Y1148-A1152 PolarHBondContact O-N 2.96Å
1149P28.8Very low31.1Very low12 Ų12103 Ų1038%0.07848%0.482CS..THydrogen-bonded Turntrans-70-1.1175.2-16.730.5000116.4
1150W30.2Very low30.9Very low88 Ų88100.6 Ų100.633%0.33347%0.474SS..THydrogen-bonded Turntrans-114.8-13.317054.775.1000114Y1074 Y1148Y1074-W1150 WeakPolarHBondContact OH-CH2 3.47Å; Y1074-W1150 WeakPolarHBondContact OH-CZ3 3.44Å; Y1148-W1150 PolarHBondContact O-N 3.05Å; Y1148-W1150 VanDerWaalsContact O-N 3.11Å
1151E30Very low31.1Very low101 Ų10195.3 Ų95.347%0.47246%0.46SS..THydrogen-bonded Turntrans-94.3-21170.9-56.9176.5174.100110.9Y1148 C1155Y1148-E1151 HydrophobicContact CD1-CG 4.19Å; Y1148-E1151 WeakPolarHBondContact CD1-OE2 3.17Å; Y1148-E1151 HydrophobicContact CG-CB 4.32Å; Y1148-E1151 HydrophobicContact CG-CG 4.29Å; Y1148-E1151 PolarHBondContact O-N 3.37Å; E1151-C1155 WeakPolarHBondContact O-CB 3.26Å; E1151-C1155 PolarHBondContact O-SG 3.01Å
1152A28.8Very low31.2Very low31 Ų3198.3 Ų98.326%0.25647%0.47SS..Hα-helixtrans-89.2-23.7179.100000114.7Y1148 D1154 C1155 E1156Y1148-A1152 WeakPolarHBondContact O-CB 3.41Å; Y1148-A1152 PolarHBondContact O-N 2.96Å; A1152-D1154 VanDerWaalsContact C-N 3.31Å; A1152-D1154 PolarHBondContact O-N 3.16Å; A1152-C1155 PolarHBondContact O-N 3.45Å; A1152-E1156 WeakPolarHBondContact O-CA 3.21Å; A1152-E1156 WeakPolarHBondContact O-CB 3.48Å; A1152-E1156 PolarHBondContact O-N 3.26Å
1153E30Very low31.4Very low83 Ų8397 Ų9739%0.38845%0.454SS..Hα-helixtrans-76.8-15.7-177.5-93.9175-168.400114.4R1105 R1157R1105-E1153 IonicContact CZ-OE1 2.69Å; R1105-E1153 VanDerWaalsContact CZ-OE1 3.24Å; R1105-E1153 IonicContact NH1-OE1 3Å; R1105-E1153 PolarHBondContact NH1-OE1 2.98Å; R1105-E1153 IonicContact NH2-OE1 3.41Å; R1105-E1153 PolarHBondContact NH2-OE1 2.87Å; R1105-E1153 IonicContact NH2-OE2 3.89Å; E1153-R1157 VanDerWaalsContact O-CB 3.24Å; E1153-R1157 WeakPolarHBondContact O-CB 3.43Å; E1153-R1157 PolarHBondContact O-NE 3.44Å; E1153-R1157 VanDerWaalsContact O-NE 3.16Å; E1153-R1157 PolarHBondContact O-NH2 3Å
1154D29.7Very low31.7Very low103 Ų103100 Ų10055%0.55146%0.462SS*.Hα-helixtrans-94.8-38.9167.8-74-27000111.2A1152 R1157 V1158A1152-D1154 VanDerWaalsContact C-N 3.31Å; A1152-D1154 PolarHBondContact O-N 3.16Å; D1154-R1157 IonicContact OD1-CZ 2.73Å; D1154-R1157 IonicContact OD1-NH2 3.86Å; D1154-V1158 VanDerWaalsContact O-CB 3.27Å; D1154-V1158 WeakPolarHBondContact O-CB 3.36Å; D1154-V1158 WeakPolarHBondContact O-CG2 3.02Å; D1154-V1158 PolarHBondContact O-N 2.84Å
1155C28.2Very low32.3Very low87 Ų87105.9 Ų105.959%0.58849%0.487SS*.Hα-helixtrans-69.1-35.2174.6-74.60000113.9E1151 A1152 Y1159E1151-C1155 WeakPolarHBondContact O-CB 3.26Å; E1151-C1155 PolarHBondContact O-SG 3.01Å; A1152-C1155 PolarHBondContact O-N 3.45Å; C1155-Y1159 WeakPolarHBondContact O-CA 3.32Å; C1155-Y1159 WeakPolarHBondContact O-CB 3.1Å; C1155-Y1159 PolarHBondContact O-N 3.43Å
1156E30.1Very low32.6Very low84 Ų84100.8 Ų100.839%0.39347%0.473SS..Hα-helixtrans-82.1-24.4179.5-153.6-170.5166.300111.4A1152 R1160A1152-E1156 WeakPolarHBondContact O-CA 3.21Å; A1152-E1156 WeakPolarHBondContact O-CB 3.48Å; A1152-E1156 PolarHBondContact O-N 3.26Å; E1156-R1160 HydrophobicContact CG-CG 4.49Å; E1156-R1160 WeakPolarHBondContact O-CB 3.14Å; E1156-R1160 WeakPolarHBondContact O-CG 3.28Å; E1156-R1160 PolarHBondContact O-N 2.93Å; E1156-R1160 IonicContact OE1-CZ 3.19Å; E1156-R1160 IonicContact OE1-NE 4Å; E1156-R1160 PolarHBondContact OE1-NE 3.39Å; E1156-R1160 IonicContact OE1-NH2 3.77Å; E1156-R1160 PolarHBondContact OE1-NH2 3.01Å
1157R35.5Very low33.1Very low147 Ų147105 Ų10556%0.55549%0.491SS*.Hα-helixtrans-74.2-40.2169.2-159.2-175.2-46-1717.8110.6E1153 D1154 N1161E1153-R1157 VanDerWaalsContact O-CB 3.24Å; E1153-R1157 WeakPolarHBondContact O-CB 3.43Å; E1153-R1157 PolarHBondContact O-NE 3.44Å; E1153-R1157 VanDerWaalsContact O-NE 3.16Å; E1153-R1157 PolarHBondContact O-NH2 3Å; D1154-R1157 IonicContact OD1-CZ 2.73Å; D1154-R1157 IonicContact OD1-NH2 3.86Å; R1157-N1161 VanDerWaalsContact O-CB 3.24Å; R1157-N1161 WeakPolarHBondContact O-CB 3.5Å; R1157-N1161 PolarHBondContact O-N 2.93Å; R1157-N1161 PolarHBondContact O-ND2 3.26Å
1158V33.1Very low33.5Very low100 Ų100108 Ų10861%0.60650%0.504SS*.Hα-helixtrans-65.9-42.1168.9171.50000111.1D1154 N1161 F1162D1154-V1158 VanDerWaalsContact O-CB 3.27Å; D1154-V1158 WeakPolarHBondContact O-CB 3.36Å; D1154-V1158 WeakPolarHBondContact O-CG2 3.02Å; D1154-V1158 PolarHBondContact O-N 2.84Å; V1158-N1161 PolarHBondContact O-N 3.29Å; V1158-F1162 WeakPolarHBondContact O-CB 3.4Å; V1158-F1162 PolarHBondContact O-N 3.4Å
1159Y34.8Very low33.6Very low127 Ų127106.7 Ų106.750%0.49852%0.521SS..Hα-helixtrans-75.4-32.2179.7-172.5-98.6000113.6C1155 F1162 Q1163C1155-Y1159 WeakPolarHBondContact O-CA 3.32Å; C1155-Y1159 WeakPolarHBondContact O-CB 3.1Å; C1155-Y1159 PolarHBondContact O-N 3.43Å; Y1159-F1162 CarbonylContact O-C 3.32Å; Y1159-F1162 PolarHBondContact O-N 2.8Å; Y1159-Q1163 HydrophobicContact CD1-CG 4.13Å; Y1159-Q1163 HydrophobicContact CE1-CG 3.83Å; Y1159-Q1163 VanDerWaalsContact CE1-NE2 3.25Å; Y1159-Q1163 WeakPolarHBondContact O-CB 3.29Å; Y1159-Q1163 WeakPolarHBondContact O-CG 3.07Å; Y1159-Q1163 PolarHBondContact O-N 3.05Å; Y1159-Q1163 PolarHBondContact OH-NE2 3.35Å
1160R35.7Very low33.7Very low137 Ų137114.8 Ų114.852%0.51756%0.558SS.*Hα-helixtrans-75.1-31.2170.9-75.7-176.2-170.1-174.37.8112.2E1156 F1162 R1164E1156-R1160 HydrophobicContact CG-CG 4.49Å; E1156-R1160 WeakPolarHBondContact O-CB 3.14Å; E1156-R1160 WeakPolarHBondContact O-CG 3.28Å; E1156-R1160 PolarHBondContact O-N 2.93Å; E1156-R1160 IonicContact OE1-CZ 3.19Å; E1156-R1160 IonicContact OE1-NE 4Å; E1156-R1160 PolarHBondContact OE1-NE 3.39Å; E1156-R1160 IonicContact OE1-NH2 3.77Å; E1156-R1160 PolarHBondContact OE1-NH2 3.01Å; R1160-F1162 VanDerWaalsContact C-N 3.34Å; R1160-R1164 VanDerWaalsContact O-CB 3.26Å; R1160-R1164 WeakPolarHBondContact O-CB 3.48Å; R1160-R1164 VanDerWaalsContact O-CG 3.23Å; R1160-R1164 WeakPolarHBondContact O-CG 3.3Å; R1160-R1164 PolarHBondContact O-N 3.13Å
1161N41.1Very low33.7Very low84 Ų84118.8 Ų118.845%0.44959%0.585SS.*Hα-helixtrans-70-34.4167.9-72-16.1000110.9R1157 V1158 H1165R1157-N1161 VanDerWaalsContact O-CB 3.24Å; R1157-N1161 WeakPolarHBondContact O-CB 3.5Å; R1157-N1161 PolarHBondContact O-N 2.93Å; R1157-N1161 PolarHBondContact O-ND2 3.26Å; V1158-N1161 PolarHBondContact O-N 3.29Å; N1161-H1165 PolarHBondContact O-CD2 3.12Å; N1161-H1165 PolarHBondContact O-N 3.2Å
1162F33.3Very low33.7Very low121 Ų121117.7 Ų117.753%0.53160%0.601SS.*Hα-helixtrans-71.3-40.8174.1-161.9-99.9000113.1V1158 Y1159 R1160 H1165 Q1166V1158-F1162 WeakPolarHBondContact O-CB 3.4Å; V1158-F1162 PolarHBondContact O-N 3.4Å; Y1159-F1162 CarbonylContact O-C 3.32Å; Y1159-F1162 PolarHBondContact O-N 2.8Å; R1160-F1162 VanDerWaalsContact C-N 3.34Å; F1162-H1165 PolarHBondContact O-N 2.96Å; F1162-Q1166 VanDerWaalsContact CE1-NE2 3.27Å; F1162-Q1166 PolarHBondContact O-N 3.37Å
1163Q36.1Very low33.6Very low82 Ų82124 Ų12438%0.38363%0.63SS.*Hα-helixtrans-74.3-31.4176.3-79.7-164.6-26.200113.2Y1159 H1165 Q1166 Q1167Y1159-Q1163 HydrophobicContact CD1-CG 4.13Å; Y1159-Q1163 HydrophobicContact CE1-CG 3.83Å; Y1159-Q1163 VanDerWaalsContact CE1-NE2 3.25Å; Y1159-Q1163 WeakPolarHBondContact O-CB 3.29Å; Y1159-Q1163 WeakPolarHBondContact O-CG 3.07Å; Y1159-Q1163 PolarHBondContact O-N 3.05Å; Y1159-Q1163 PolarHBondContact OH-NE2 3.35Å; Q1163-H1165 PolarHBondContact O-N 3.42Å; Q1163-Q1166 PolarHBondContact O-N 3.3Å; Q1163-Q1167 PolarHBondContact O-N 3.21Å
1164R37.7Very low33.6Very low175 Ų175126.7 Ų126.766%0.6665%0.652SS**Hα-helixtrans-67.4-24.8169.7-79.2175.6-179.3167.2-0.7112.3R1160R1160-R1164 VanDerWaalsContact O-CB 3.26Å; R1160-R1164 WeakPolarHBondContact O-CB 3.48Å; R1160-R1164 VanDerWaalsContact O-CG 3.23Å; R1160-R1164 WeakPolarHBondContact O-CG 3.3Å; R1160-R1164 PolarHBondContact O-N 3.13Å
1165H41.6Very low33.3Very low159 Ų159126.5 Ų126.574%0.73666%0.659SS**THydrogen-bonded Turntrans-86.4-9.6170.7-72.9-43.7000114.3N1161 F1162 Q1163N1161-H1165 PolarHBondContact O-CD2 3.12Å; N1161-H1165 PolarHBondContact O-N 3.2Å; F1162-H1165 PolarHBondContact O-N 2.96Å; Q1163-H1165 PolarHBondContact O-N 3.42Å
1166Q35.8Very low33.3Very low130 Ų130127.2 Ų127.261%0.60767%0.665SS**THydrogen-bonded Turntrans-96.9-7.8175.3-78.5-169.5-4.300114.6F1162 Q1163F1162-Q1166 VanDerWaalsContact CE1-NE2 3.27Å; F1162-Q1166 PolarHBondContact O-N 3.37Å; Q1163-Q1166 PolarHBondContact O-N 3.3Å
1167Q37.8Very low33.2Very low165 Ų165130 Ų13077%0.77168%0.683SS**SBendtrans-92.4-3.6178.7-76.4-175.9-12.300114.3Q1163Q1163-Q1167 PolarHBondContact O-N 3.21Å
1168D36.7Very low32.8Very low150 Ų150129.6 Ų129.680%0.80270%0.699SS**SBendtrans-120.785.1174.9-73.4-35.4000110.1
1169G31.6Very low32.7Very low75 Ų75129.7 Ų129.777%0.77370%0.704SS**  trans149.6101.5169.600000115.8
1170E30.7Very low32.5Very low182 Ų182127.7 Ų127.785%0.8571%0.705SS**  trans-71.5153-174.5-60.4170.714000115.5
1171L29.4Very low32.2Very low171 Ų171125.4 Ų125.490%0.89571%0.708SS**  trans74.9110.2148.5-71.8146.9000120.5
1172G29.6Very low32Very low79 Ų79125 Ų12581%0.81471%0.708SS**  trans153.8108.4147.200000117
1173N27.4Very low31.9Very low163 Ų163123.1 Ų123.187%0.87272%0.715SS**  trans-49139.9170.6-73.4-37.1000113.5
1174V29Very low31.9Very low139 Ų139126.8 Ų126.884%0.84273%0.734SS**  174.8143.9126.6159.80000109.8
1175S25.3Very low31.8Very low100 Ų100123.7 Ų123.770%0.69973%0.727SS**  trans-50.5159.5-176490000118.5
1176S26.8Very low31.5Very low101 Ų101118.4 Ų118.471%0.70671%0.711SS**  trans84.1119.9152.861.20000119.9
1177N27.7Very low31.6Very low143 Ų143120.1 Ų120.177%0.76571%0.713SS**SBendtrans64.6137.2162.7-66.7-13.1000117.8S1179N1177-S1179 VanDerWaalsContact C-N 3.29Å; N1177-S1179 PolarHBondContact O-N 2.95Å
1178P27.4Very low31.5Very low139 Ų139114.6 Ų114.690%0.90370%0.696SS**  trans-67.995.5171.728.6-28.1000107.3
1179S31.2Very low31.3Very low101 Ų101113.5 Ų113.571%0.70669%0.69SS**  trans-71.5132.5-169.249.60000111.7N1177N1177-S1179 VanDerWaalsContact C-N 3.29Å; N1177-S1179 PolarHBondContact O-N 2.95Å
1180V30.9Very low31.5Very low85 Ų85114.6 Ų114.652%0.51568%0.681SS.*  trans-35.2136.3160.8-178.90000111.1T1182V1180-T1182 PolarHBondContact O-N 2.96Å
1181P30.2Very low31.6Very low90 Ų90112.8 Ų112.858%0.58467%0.671SS**  trans-52.2125.1174.5-19.929.5000109.6
1182T35Very low31.8Very low74 Ų74110.7 Ų110.745%0.45466%0.66SS.*  trans-64.8150.5178.557.80000109.9V1180 M1184 E1185 A1186V1180-T1182 PolarHBondContact O-N 2.96Å; T1182-M1184 PolarHBondContact O-N 2.85Å; T1182-E1185 PolarHBondContact N-OE2 3.48Å; T1182-E1185 WeakPolarHBondContact O-CA 3.43Å; T1182-E1185 WeakPolarHBondContact O-CB 3.4Å; T1182-E1185 PolarHBondContact O-N 2.62Å; T1182-E1185 VanDerWaalsContact OG1-CG 3.3Å; T1182-E1185 WeakPolarHBondContact OG1-CG 3.48Å; T1182-E1185 PolarHBondContact OG1-OE2 3.02Å; T1182-A1186 PolarHBondContact O-N 2.89Å
1183A32.7Very low32.1Very low82 Ų82110.4 Ų110.468%0.67864%0.642SS**Hα-helixtrans-54.7-24.9177.500000113.3Y1187A1183-Y1187 WeakPolarHBondContact O-CB 3.34Å; A1183-Y1187 PolarHBondContact O-N 3.34Å
1184M35.2Very low32.3Very low160 Ų160109.2 Ų109.279%0.78864%0.636SS**Hα-helixtrans-74.7-34.6172.5-91.7-158.8-104.200113.5T1182 Y1187 A1188T1182-M1184 PolarHBondContact O-N 2.85Å; M1184-Y1187 PolarHBondContact O-N 3.28Å; M1184-A1188 WeakPolarHBondContact O-CB 3.25Å; M1184-A1188 PolarHBondContact O-N 3.4Å
1185E36.8Very low32.6Very low109 Ų109110.7 Ų110.751%0.50963%0.633SS.*Hα-helixtrans-73.3-38.8175.7-71.7161.9152.300111T1182 Y1187 A1188 L1189T1182-E1185 PolarHBondContact N-OE2 3.48Å; T1182-E1185 WeakPolarHBondContact O-CA 3.43Å; T1182-E1185 WeakPolarHBondContact O-CB 3.4Å; T1182-E1185 PolarHBondContact O-N 2.62Å; T1182-E1185 VanDerWaalsContact OG1-CG 3.3Å; T1182-E1185 WeakPolarHBondContact OG1-CG 3.48Å; T1182-E1185 PolarHBondContact OG1-OE2 3.02Å; E1185-Y1187 VanDerWaalsContact C-N 3.33Å; E1185-Y1187 PolarHBondContact O-N 3.31Å; E1185-A1188 PolarHBondContact O-N 2.81Å; E1185-L1189 WeakPolarHBondContact O-CB 3.31Å; E1185-L1189 PolarHBondContact O-N 3.09Å
1186A34.4Very low33Very low49 Ų49111.5 Ų111.541%0.40563%0.634SS.*Hα-helixtrans-62.9-38.8169.600000111.9T1182 L1189 V1190T1182-A1186 PolarHBondContact O-N 2.89Å; A1186-L1189 PolarHBondContact O-N 3.01Å; A1186-V1190 VanDerWaalsContact O-CG2 3.26Å; A1186-V1190 WeakPolarHBondContact O-CG2 3.43Å; A1186-V1190 PolarHBondContact O-N 3.36Å; A1186-V1190 VanDerWaalsContact O-N 3.11Å
1187Y37.2Very low33.4Very low165 Ų165109.8 Ų109.865%0.64763%0.632SS**Hα-helixtrans-69.7-34.7175.4-171-94.9000112.9A1183 M1184 E1185 V1190 K1191A1183-Y1187 WeakPolarHBondContact O-CB 3.34Å; A1183-Y1187 PolarHBondContact O-N 3.34Å; M1184-Y1187 PolarHBondContact O-N 3.28Å; E1185-Y1187 VanDerWaalsContact C-N 3.33Å; E1185-Y1187 PolarHBondContact O-N 3.31Å; Y1187-V1190 PolarHBondContact O-N 3.35Å; Y1187-K1191 PolarHBondContact O-N 2.88Å
1188A36.9Very low33.7Very low50 Ų50106 Ų10641%0.41363%0.627SS.*Hα-helixtrans-68.7-40.9172.900000111.4M1184 E1185 V1190 K1191 D1192M1184-A1188 WeakPolarHBondContact O-CB 3.25Å; M1184-A1188 PolarHBondContact O-N 3.4Å; E1185-A1188 PolarHBondContact O-N 2.81Å; A1188-V1190 VanDerWaalsContact C-N 3.25Å; A1188-V1190 PolarHBondContact O-N 3.49Å; A1188-K1191 PolarHBondContact O-N 3.11Å; A1188-D1192 PolarHBondContact O-N 3.37Å
1189L32.4Very low34.5Very low127 Ų127103.1 Ų103.167%0.66560%0.604SS**Hα-helixtrans-60.1-35.5174.5-125109.2000112.3E1185 A1186 K1191 V1193E1185-L1189 WeakPolarHBondContact O-CB 3.31Å; E1185-L1189 PolarHBondContact O-N 3.09Å; A1186-L1189 PolarHBondContact O-N 3.01Å; L1189-K1191 VanDerWaalsContact C-N 3.35Å; L1189-V1193 WeakPolarHBondContact O-CG2 3.33Å
1190V34.7Very low34.8Very low98 Ų98102.3 Ų102.359%0.59459%0.591SS**Hα-helixtrans-73.5-24.7175.1170.20000112.3A1186 Y1187 A1188A1186-V1190 VanDerWaalsContact O-CG2 3.26Å; A1186-V1190 WeakPolarHBondContact O-CG2 3.43Å; A1186-V1190 PolarHBondContact O-N 3.36Å; A1186-V1190 VanDerWaalsContact O-N 3.11Å; Y1187-V1190 PolarHBondContact O-N 3.35Å; A1188-V1190 VanDerWaalsContact C-N 3.25Å; A1188-V1190 PolarHBondContact O-N 3.49Å
1191K33.7Very low35.2Very low144 Ų144101.4 Ų101.463%0.62658%0.583SS**Hα-helixtrans-89-27.2-177.5-151.5-175-179.9-167.60113.5Y1187 A1188 L1189 V1193Y1187-K1191 PolarHBondContact O-N 2.88Å; A1188-K1191 PolarHBondContact O-N 3.11Å; L1189-K1191 VanDerWaalsContact C-N 3.35Å; K1191-V1193 PolarHBondContact O-N 2.85Å
1192D33.2Very low35.7Very low127 Ų127101.1 Ų101.168%0.67957%0.573SS**G310 helixtrans-75.2-10.4174.3-83.9-7.6000113.3A1188 D1194A1188-D1192 PolarHBondContact O-N 3.37Å; D1192-D1194 PolarHBondContact O-N 3Å
1193V35.8Very low35.9Very low72 Ų72102.7 Ų102.744%0.43658%0.576SS.*G310 helixtrans-73.5-10.8-179.3-161.80000113.1L1189 K1191 H1195L1189-V1193 WeakPolarHBondContact O-CG2 3.33Å; K1191-V1193 PolarHBondContact O-N 2.85Å; V1193-H1195 PolarHBondContact O-N 2.95Å; V1193-H1195 VanDerWaalsContact O-N 3.1Å
1194D32.6Very low36.2Very low139 Ų139100.7 Ų100.774%0.74355%0.554SS**G310 helixtrans-65.6-9175.3-88.3-17000113.5D1192D1192-D1194 PolarHBondContact O-N 3Å
1195H35Very low36.4Very low169 Ų16996 Ų9678%0.78253%0.53SS*.G310 helixtrans-114.9-2-175.8-67-43.9000115.8V1193V1193-H1195 PolarHBondContact O-N 2.95Å; V1193-H1195 VanDerWaalsContact O-N 3.1Å
1196V32.6Very low36.4Very low118 Ų118100 Ų10072%0.71554%0.54SS*.SBendtrans-142.694.1-179.1-170.30000112.1G1198V1196-G1198 PolarHBondContact O-N 2.83Å
1197G36.3Very low36.5Very low65 Ų65100.1 Ų100.167%0.6754%0.538SS*.  trans46.162.2145.400000119.7N1199G1197-N1199 PolarHBondContact O-N 3.29Å
1198G33.1Very low36.5Very low63 Ų6395.3 Ų95.365%0.64953%0.526SS*.  trans39.661.8138.800000120.7V1196V1196-G1198 PolarHBondContact O-N 2.83Å
1199N44.9Very low36.6Very low78 Ų7898.6 Ų98.642%0.41753%0.531SS..  trans-132.648.8173.1-111.4-32.3000114.3G1197 L1201 K1202 M1203G1197-N1199 PolarHBondContact O-N 3.29Å; N1199-L1201 PolarHBondContact O-N 3.09Å; N1199-K1202 HydrophobicContact CB-CB 4.08Å; N1199-K1202 PolarHBondContact O-N 2.89Å; N1199-K1202 WeakPolarHBondContact OD1-CG 3.29Å; N1199-M1203 PolarHBondContact O-N 3.37Å; N1199-M1203 VanDerWaalsContact O-N 3.09Å
1200L37.9Very low36.7Very low85 Ų8595 Ų9545%0.44552%0.517SS..Hα-helixtrans-60.5-33.4176.1-148.688.9000112.3M1203 L1204 F1236 F1240L1200-M1203 PolarHBondContact O-N 3.09Å; L1200-L1204 PolarHBondContact O-N 2.94Å; L1200-F1236 HydrophobicContact CD2-CD2 4.32Å; L1200-F1236 HydrophobicContact CD2-CE2 4.1Å; L1200-F1240 HydrophobicContact CD2-CE2 4.36Å
1201L39.5Very low36.5Very low65 Ų6594.6 Ų94.634%0.3453%0.533SS..Hα-helixtrans-71.9-42.9177.9-132.589.1000112.2F423 N1199 M1203 L1204 E1205 F1236F423-L1201 HydrophobicContact CZ-CD2 3.98Å; N1199-L1201 PolarHBondContact O-N 3.09Å; L1201-M1203 PolarHBondContact O-N 3.23Å; L1201-L1204 PolarHBondContact O-N 2.7Å; L1201-L1204 VanDerWaalsContact O-N 3.15Å; L1201-E1205 WeakPolarHBondContact O-CB 3.4Å; L1201-E1205 WeakPolarHBondContact O-CG 3.39Å; L1201-E1205 PolarHBondContact O-N 3.1Å; L1201-F1236 HydrophobicContact CD1-CZ 4.47Å
1202K40.5Very low36.6Very low84 Ų8496.5 Ų96.537%0.36554%0.544SS..Hα-helixtrans-63.8-27.9172.9-80.6-164.8-176.1-172.60112.5N1199 R1206N1199-K1202 HydrophobicContact CB-CB 4.08Å; N1199-K1202 PolarHBondContact O-N 2.89Å; N1199-K1202 WeakPolarHBondContact OD1-CG 3.29Å; K1202-R1206 VanDerWaalsContact O-CB 3.26Å; K1202-R1206 WeakPolarHBondContact O-CB 3.34Å; K1202-R1206 WeakPolarHBondContact O-CG 3.25Å; K1202-R1206 PolarHBondContact O-N 2.99Å
1203M37.9Very low36.7Very low107 Ų10793.9 Ų93.953%0.52753%0.532SS..Hα-helixtrans-73.4-41.9173.2-150.1-173.379.500111N1199 L1200 L1201 R1206 S1207N1199-M1203 PolarHBondContact O-N 3.37Å; N1199-M1203 VanDerWaalsContact O-N 3.09Å; L1200-M1203 PolarHBondContact O-N 3.09Å; L1201-M1203 PolarHBondContact O-N 3.23Å; M1203-R1206 PolarHBondContact O-N 2.9Å; M1203-S1207 VanDerWaalsContact O-CB 3.27Å; M1203-S1207 WeakPolarHBondContact O-CB 3.29Å; M1203-S1207 PolarHBondContact O-N 3.39Å; M1203-S1207 PolarHBondContact O-OG 2.85Å
1204L38.7Very low37.1Very low40 Ų4093.1 Ų93.121%0.20953%0.53CS..Hα-helixtrans-62.9-43.9172.3-80.8159.9000111.9L1200 L1201 R1206 S1207 V1208 F1209 F1236L1200-L1204 PolarHBondContact O-N 2.94Å; L1201-L1204 PolarHBondContact O-N 2.7Å; L1201-L1204 VanDerWaalsContact O-N 3.15Å; L1204-R1206 VanDerWaalsContact C-N 3.34Å; L1204-R1206 PolarHBondContact O-N 3.25Å; L1204-S1207 PolarHBondContact O-N 3.36Å; L1204-V1208 HydrophobicContact CD2-CG2 3.8Å; L1204-V1208 WeakPolarHBondContact O-CA 3.29Å; L1204-V1208 WeakPolarHBondContact O-CB 3.13Å; L1204-V1208 PolarHBondContact O-N 3.36Å; L1204-F1209 WeakPolarHBondContact O-CD2 3.41Å; L1204-F1236 HydrophobicContact CD1-CD2 4.36Å; L1204-F1236 HydrophobicContact CD1-CE2 3.58Å; L1204-F1236 HydrophobicContact CD1-CZ 4.32Å
1205E40.2Very low37.6Very low61 Ų6188.8 Ų88.829%0.28551%0.507SS..Hα-helixtrans-59.2-40.6172.6-74.4177.4155.700112.5L1201 F1209L1201-E1205 WeakPolarHBondContact O-CB 3.4Å; L1201-E1205 WeakPolarHBondContact O-CG 3.39Å; L1201-E1205 PolarHBondContact O-N 3.1Å; E1205-F1209 CarbonylContact O-C 3.58Å; E1205-F1209 WeakPolarHBondContact O-CB 3.47Å; E1205-F1209 PolarHBondContact O-N 3.02Å
1206R36.9Very low38.3Very low193 Ų19385.4 Ų85.473%0.72849%0.494SS*.Hα-helixtrans-79.3-27.7179.2-74.2176.2173.2-176.5-3.8114.5K1202 M1203 L1204 S1210K1202-R1206 VanDerWaalsContact O-CB 3.26Å; K1202-R1206 WeakPolarHBondContact O-CB 3.34Å; K1202-R1206 WeakPolarHBondContact O-CG 3.25Å; K1202-R1206 PolarHBondContact O-N 2.99Å; M1203-R1206 PolarHBondContact O-N 2.9Å; L1204-R1206 VanDerWaalsContact C-N 3.34Å; L1204-R1206 PolarHBondContact O-N 3.25Å; R1206-S1210 PolarHBondContact O-OG 3.08Å
1207S37.2Very low39.1Very low52 Ų5283.2 Ų83.236%0.36448%0.484SS..Hα-helixtrans-105.3-16.2-174.759.70000115M1203 L1204 T1213M1203-S1207 VanDerWaalsContact O-CB 3.27Å; M1203-S1207 WeakPolarHBondContact O-CB 3.29Å; M1203-S1207 PolarHBondContact O-N 3.39Å; M1203-S1207 PolarHBondContact O-OG 2.85Å; L1204-S1207 PolarHBondContact O-N 3.36Å; S1207-T1213 PolarHBondContact O-OG1 2.94Å
1208V37.6Very low39.6Very low65 Ų6584 Ų8439%0.39447%0.472SS..Hα-helixtrans-118.2-25.6-179.1-174.60000111.9L1204 F1261L1204-V1208 HydrophobicContact CD2-CG2 3.8Å; L1204-V1208 WeakPolarHBondContact O-CA 3.29Å; L1204-V1208 WeakPolarHBondContact O-CB 3.13Å; L1204-V1208 PolarHBondContact O-N 3.36Å; V1208-F1261 HydrophobicContact CG1-CE2 4.48Å
1209F38.2Very low41Very low118 Ų11882 Ų8252%0.51845%0.448SS..SBendtrans-111.83.3-177.6-59.3-92.6000114L1204 E1205L1204-F1209 WeakPolarHBondContact O-CD2 3.41Å; E1205-F1209 CarbonylContact O-C 3.58Å; E1205-F1209 WeakPolarHBondContact O-CB 3.47Å; E1205-F1209 PolarHBondContact O-N 3.02Å
1210S33.3Very low41.7Very low53 Ų5386.5 Ų86.537%0.37147%0.471SS..SBendtrans-81.3125.9156.2630000108R1206 E1212R1206-S1210 PolarHBondContact O-OG 3.08Å; S1210-E1212 PolarHBondContact O-N 2.94Å
1211G32.5Very low43Very low89 Ų8984.6 Ų84.692%0.91847%0.465SS*.THydrogen-bonded Turntrans-65.321.8-167.600000117.4
1212E34.5Very low44Very low184 Ų18487.5 Ų87.586%0.8648%0.481SS*.THydrogen-bonded Turntrans-130.4-4.7-169.4-64.6-171.616600115.7S1210S1210-E1212 PolarHBondContact O-N 2.94Å
1213T36.5Very low45Very low71 Ų7186.8 Ų86.844%0.43649%0.491SS..  trans-120.8107.5-18017.30000113.3S1207S1207-T1213 PolarHBondContact O-OG1 2.94Å
1214S42.5Very low46Very low57 Ų5786.5 Ų86.540%0.39949%0.488SS..  trans-88.5143.7172.5177.30000110L1216 S1217S1214-L1216 PolarHBondContact O-N 3.41Å; S1214-L1216 VanDerWaalsContact O-N 3.12Å; S1214-L1216 VanDerWaalsContact OG-CB 3.28Å; S1214-L1216 WeakPolarHBondContact OG-CB 3.36Å; S1214-L1216 PolarHBondContact OG-N 3.27Å; S1214-L1216 VanDerWaalsContact OG-N 3.1Å; S1214-S1217 PolarHBondContact N-OG 3.22Å; S1214-S1217 WeakPolarHBondContact O-CA 3.17Å; S1214-S1217 WeakPolarHBondContact O-CB 3.4Å; S1214-S1217 PolarHBondContact O-N 3.45Å; S1214-S1217 PolarHBondContact O-OG 2.96Å
1215L45Very low46.9Very low47 Ų4784.9 Ų84.925%0.24648%0.481CS..G310 helixtrans-57.5-25.7166.6-89.2161.9000111.5S1217 L1218 V1219 A1225 M1228 W1265L1215-S1217 VanDerWaalsContact C-N 3.26Å; L1215-S1217 PolarHBondContact O-N 2.96Å; L1215-L1218 HydrophobicContact CD2-CD1 4.36Å; L1215-L1218 PolarHBondContact O-N 3.22Å; L1215-V1219 WeakPolarHBondContact O-CG2 3.42Å; L1215-A1225 HydrophobicContact CB-CB 4.37Å; L1215-M1228 HydrophobicContact CD2-CG 4.23Å; L1215-M1228 HydrophobicContact CD2-SD 3.82Å; L1215-W1265 HydrophobicContact CD1-CH2 4.16Å; L1215-W1265 HydrophobicContact CD1-CZ2 3.86Å
1216L49.3Very low47.4Very low99 Ų9987.2 Ų87.252%0.51849%0.488SS..G310 helixtrans-70.6-18.2172.2-63.6158000113.1S1214 L1218 D1222 A1225S1214-L1216 PolarHBondContact O-N 3.41Å; S1214-L1216 VanDerWaalsContact O-N 3.12Å; S1214-L1216 VanDerWaalsContact OG-CB 3.28Å; S1214-L1216 WeakPolarHBondContact OG-CB 3.36Å; S1214-L1216 PolarHBondContact OG-N 3.27Å; S1214-L1216 VanDerWaalsContact OG-N 3.1Å; L1216-L1218 VanDerWaalsContact C-N 3.3Å; L1216-D1222 WeakPolarHBondContact CD2-OD1 3.37Å; L1216-A1225 HydrophobicContact CD2-CB 4.18Å
1217S49.5Very low48.5Very low72 Ų7280.9 Ų80.950%0.50347%0.473SS..G310 helixtrans-85.3-4.6172.369.50000113S1214 L1215S1214-S1217 PolarHBondContact N-OG 3.22Å; S1214-S1217 WeakPolarHBondContact O-CA 3.17Å; S1214-S1217 WeakPolarHBondContact O-CB 3.4Å; S1214-S1217 PolarHBondContact O-N 3.45Å; S1214-S1217 PolarHBondContact O-OG 2.96Å; L1215-S1217 VanDerWaalsContact C-N 3.26Å; L1215-S1217 PolarHBondContact O-N 2.96Å
1218L46.3Very low49.3Very low81 Ų8181.5 Ų81.542%0.42447%0.471SS..SBendtrans-106.5-6.3-178.3-67.5171.2000113.6L1215 L1216L1215-L1218 HydrophobicContact CD2-CD1 4.36Å; L1215-L1218 PolarHBondContact O-N 3.22Å; L1216-L1218 VanDerWaalsContact C-N 3.3Å
1219V61.3Low50Low22 Ų2279 Ų7913%0.13346%0.459CS..SBendtrans-148.2150.6-174.1-68.80000111.5L1215 S1221 E1224 A1225 M1228L1215-V1219 WeakPolarHBondContact O-CG2 3.42Å; V1219-S1221 VanDerWaalsContact C-N 3.28Å; V1219-S1221 PolarHBondContact O-N 3.11Å; V1219-E1224 HydrophobicContact CB-CB 3.64Å; V1219-E1224 HydrophobicContact CG1-CB 3.79Å; V1219-E1224 HydrophobicContact CG2-CB 4.12Å; V1219-A1225 VanDerWaalsContact CG2-CA 3.46Å; V1219-A1225 HydrophobicContact CG2-CB 3.44Å; V1219-A1225 VanDerWaalsContact CG2-CB 3.44Å; V1219-M1228 HydrophobicContact CG1-CE 3.37Å; V1219-M1228 HydrophobicContact CG1-SD 4.4Å
1220D61.1Low50.7Low171 Ų17180.6 Ų80.691%0.91446%0.461SS*.SBendtrans-81.1-7-173.3-70.6-34.6000113.3E1224D1220-E1224 PolarHBondContact N-OE2 3.14Å
1221S63.8Low51.9Low46 Ų4684.3 Ų84.332%0.32247%0.473SS..SBendtrans-147.8147.8-178.870.50000113.4V1219 A1223 E1224 A1225V1219-S1221 VanDerWaalsContact C-N 3.28Å; V1219-S1221 PolarHBondContact O-N 3.11Å; S1221-A1223 PolarHBondContact O-N 2.96Å; S1221-A1223 VanDerWaalsContact O-N 3.07Å; S1221-E1224 PolarHBondContact O-N 3.28Å; S1221-E1224 WeakPolarHBondContact OG-CG 3.16Å; S1221-E1224 PolarHBondContact OG-N 3.04Å; S1221-A1225 PolarHBondContact O-N 2.97Å
1222D60.7Low52.8Low126 Ų12683.7 Ų83.767%0.67445%0.447SS*.Hα-helixtrans-52-32.3171.6-61.9-3.2000112.5L1216 Y1226L1216-D1222 WeakPolarHBondContact CD2-OD1 3.37Å; D1222-Y1226 WeakPolarHBondContact O-CB 3.44Å; D1222-Y1226 PolarHBondContact O-N 3.3Å
1223A61.7Low53.4Low69 Ų6977.4 Ų77.457%0.5743%0.427SS*.Hα-helixtrans-68.5-37.8178.800000112.7S1221 S1227S1221-A1223 PolarHBondContact O-N 2.96Å; S1221-A1223 VanDerWaalsContact O-N 3.07Å; A1223-S1227 WeakPolarHBondContact O-CB 3.49Å; A1223-S1227 PolarHBondContact O-N 2.72Å
1224E58.5Low54.1Low101 Ų10178.3 Ų78.347%0.47243%0.429SS..Hα-helixtrans-73-41.6175.1-77.6-179.8164.500111.4V1219 D1220 S1221 Y1226 S1227 M1228V1219-E1224 HydrophobicContact CB-CB 3.64Å; V1219-E1224 HydrophobicContact CG1-CB 3.79Å; V1219-E1224 HydrophobicContact CG2-CB 4.12Å; D1220-E1224 PolarHBondContact N-OE2 3.14Å; S1221-E1224 PolarHBondContact O-N 3.28Å; S1221-E1224 WeakPolarHBondContact OG-CG 3.16Å; S1221-E1224 PolarHBondContact OG-N 3.04Å; E1224-Y1226 VanDerWaalsContact C-N 3.27Å; E1224-Y1226 PolarHBondContact O-N 2.99Å; E1224-S1227 PolarHBondContact O-N 3.23Å; E1224-M1228 WeakPolarHBondContact O-CB 3.42Å; E1224-M1228 PolarHBondContact O-N 2.83Å
1225A58Low54.5Low6 Ų681.6 Ų81.65%0.0544%0.436CS..Hα-helixtrans-56.4-45.3172.700000110.6L1215 L1216 V1219 S1221 M1228 G1229L1215-A1225 HydrophobicContact CB-CB 4.37Å; L1216-A1225 HydrophobicContact CD2-CB 4.18Å; V1219-A1225 VanDerWaalsContact CG2-CA 3.46Å; V1219-A1225 HydrophobicContact CG2-CB 3.44Å; V1219-A1225 VanDerWaalsContact CG2-CB 3.44Å; S1221-A1225 PolarHBondContact O-N 2.97Å; A1225-M1228 PolarHBondContact O-N 2.99Å; A1225-G1229 PolarHBondContact O-N 3.5Å
1226Y50.4Low54.6Low110 Ų11082.2 Ų82.243%0.43144%0.437SS..Hα-helixtrans-62.9-46.4176.8175.8-99.4000112.7D1222 E1224 M1228 G1229 R1230D1222-Y1226 WeakPolarHBondContact O-CB 3.44Å; D1222-Y1226 PolarHBondContact O-N 3.3Å; E1224-Y1226 VanDerWaalsContact C-N 3.27Å; E1224-Y1226 PolarHBondContact O-N 2.99Å; Y1226-M1228 VanDerWaalsContact C-N 3.33Å; Y1226-M1228 PolarHBondContact O-N 3.37Å; Y1226-G1229 PolarHBondContact O-N 2.93Å; Y1226-R1230 VanDerWaalsContact O-CB 3.29Å; Y1226-R1230 WeakPolarHBondContact O-CB 3.4Å; Y1226-R1230 PolarHBondContact O-N 3.35Å
1227S60Low54.5Low59 Ų5981 Ų8141%0.41344%0.442SS..Hα-helixtrans-61.5-42.9177.7-174.80000111.5A1223 E1224 R1230 Q1231A1223-S1227 WeakPolarHBondContact O-CB 3.49Å; A1223-S1227 PolarHBondContact O-N 2.72Å; E1224-S1227 PolarHBondContact O-N 3.23Å; S1227-R1230 PolarHBondContact O-N 3.02Å; S1227-Q1231 WeakPolarHBondContact O-CG 3.45Å; S1227-Q1231 PolarHBondContact O-N 3.28Å
1228M55.5Low54.5Low65 Ų6584.2 Ų84.232%0.3245%0.448SS..Hα-helixtrans-65.7-49.2178.5-166.9177.8-63.800111.4L1215 V1219 E1224 A1225 Y1226 R1230 Q1231 I1232L1215-M1228 HydrophobicContact CD2-CG 4.23Å; L1215-M1228 HydrophobicContact CD2-SD 3.82Å; V1219-M1228 HydrophobicContact CG1-CE 3.37Å; V1219-M1228 HydrophobicContact CG1-SD 4.4Å; E1224-M1228 WeakPolarHBondContact O-CB 3.42Å; E1224-M1228 PolarHBondContact O-N 2.83Å; A1225-M1228 PolarHBondContact O-N 2.99Å; Y1226-M1228 VanDerWaalsContact C-N 3.33Å; Y1226-M1228 PolarHBondContact O-N 3.37Å; M1228-R1230 VanDerWaalsContact C-N 3.3Å; M1228-R1230 PolarHBondContact O-N 3.29Å; M1228-Q1231 PolarHBondContact O-N 2.88Å; M1228-I1232 HydrophobicContact CG-CD1 4.22Å; M1228-I1232 WeakPolarHBondContact O-CG1 3.33Å; M1228-I1232 PolarHBondContact O-N 3.44Å
1229G52.2Low54.4Low14 Ų1484.8 Ų84.814%0.14446%0.455CS..Hα-helixtrans-58-40.8174.500000112.7A1225 Y1226 I1232 A1233A1225-G1229 PolarHBondContact O-N 3.5Å; Y1226-G1229 PolarHBondContact O-N 2.93Å; G1229-I1232 PolarHBondContact O-N 3.37Å; G1229-A1233 WeakPolarHBondContact O-CB 3.42Å; G1229-A1233 PolarHBondContact O-N 3.33Å
1230R53.3Low53.4Low151 Ų15186.7 Ų86.757%0.5746%0.462SS*.Hα-helixtrans-65.4-40.2176.2-173.2178.5179.6-117.1-1.3112.6Y1226 S1227 M1228 A1233 L1234Y1226-R1230 VanDerWaalsContact O-CB 3.29Å; Y1226-R1230 WeakPolarHBondContact O-CB 3.4Å; Y1226-R1230 PolarHBondContact O-N 3.35Å; S1227-R1230 PolarHBondContact O-N 3.02Å; M1228-R1230 VanDerWaalsContact C-N 3.3Å; M1228-R1230 PolarHBondContact O-N 3.29Å; R1230-A1233 PolarHBondContact O-N 2.81Å; R1230-L1234 HydrophobicContact CG-CD1 4.19Å; R1230-L1234 WeakPolarHBondContact O-CB 3.43Å; R1230-L1234 WeakPolarHBondContact O-CG 3.44Å; R1230-L1234 PolarHBondContact O-N 2.96Å
1231Q56.7Low52.2Low130 Ų13082 Ų8261%0.60744%0.442SS*.Hα-helixtrans-67.4-40.7176.4-74.8-169.83600111.8S1227 M1228 L1234 K1235S1227-Q1231 WeakPolarHBondContact O-CG 3.45Å; S1227-Q1231 PolarHBondContact O-N 3.28Å; M1228-Q1231 PolarHBondContact O-N 2.88Å; Q1231-L1234 PolarHBondContact O-N 3.47Å; Q1231-K1235 WeakPolarHBondContact O-CB 3.45Å; Q1231-K1235 PolarHBondContact O-N 3.44Å
1232I52.5Low50.8Low76 Ų7684.9 Ų84.939%0.3946%0.459SS..Hα-helixtrans-60.2-47.3174.6-66.8166.1000109.9M1228 G1229 K1235 F1236M1228-I1232 HydrophobicContact CG-CD1 4.22Å; M1228-I1232 WeakPolarHBondContact O-CG1 3.33Å; M1228-I1232 PolarHBondContact O-N 3.44Å; G1229-I1232 PolarHBondContact O-N 3.37Å; I1232-K1235 PolarHBondContact O-N 3.04Å; I1232-F1236 WeakPolarHBondContact O-CB 3.44Å; I1232-F1236 PolarHBondContact O-N 2.95Å
1233A47.5Very low49.6Very low53 Ų5383.5 Ų83.544%0.43847%0.465SS..Hα-helixtrans-63.3-42.6178.200000113.2G1229 R1230 K1235 F1236 A1237G1229-A1233 WeakPolarHBondContact O-CB 3.42Å; G1229-A1233 PolarHBondContact O-N 3.33Å; R1230-A1233 PolarHBondContact O-N 2.81Å; A1233-K1235 VanDerWaalsContact C-N 3.34Å; A1233-F1236 PolarHBondContact O-N 2.92Å; A1233-A1237 WeakPolarHBondContact O-CB 3.38Å; A1233-A1237 PolarHBondContact O-N 3.19Å
1234L51.2Low48.4Very low90 Ų9084.3 Ų84.347%0.47147%0.467SS..Hα-helixtrans-63.9-39.3175.2-77.6168.5000111.6R1230 Q1231 A1237 E1238R1230-L1234 HydrophobicContact CG-CD1 4.19Å; R1230-L1234 WeakPolarHBondContact O-CB 3.43Å; R1230-L1234 WeakPolarHBondContact O-CG 3.44Å; R1230-L1234 PolarHBondContact O-N 2.96Å; Q1231-L1234 PolarHBondContact O-N 3.47Å; L1234-A1237 PolarHBondContact O-N 3.48Å; L1234-E1238 PolarHBondContact O-N 2.69Å
1235K49.7Very low47.4Very low125 Ų12582.7 Ų82.754%0.54346%0.461SS..Hα-helixtrans-70.5-36.7176.9-144.471.5-168.2160.50112.1Q1231 I1232 A1233 A1237 E1238 V1239Q1231-K1235 WeakPolarHBondContact O-CB 3.45Å; Q1231-K1235 PolarHBondContact O-N 3.44Å; I1232-K1235 PolarHBondContact O-N 3.04Å; A1233-K1235 VanDerWaalsContact C-N 3.34Å; K1235-A1237 VanDerWaalsContact C-N 3.31Å; K1235-A1237 PolarHBondContact O-N 3.41Å; K1235-E1238 IonicContact NZ-OE2 3.34Å; K1235-E1238 PolarHBondContact NZ-OE2 3.22Å; K1235-E1238 PolarHBondContact O-N 3.3Å; K1235-V1239 HydrophobicContact CG-CG2 4.36Å; K1235-V1239 WeakPolarHBondContact O-CB 3.22Å; K1235-V1239 WeakPolarHBondContact O-CG2 3.2Å; K1235-V1239 PolarHBondContact O-N 3.42Å
1236F48.3Very low46.4Very low60 Ų6089 Ų8926%0.26349%0.494SS..Hα-helixtrans-60.3-42.5171.4-145.6-93.4000111L1200 L1201 L1204 I1232 A1233 F1240L1200-F1236 HydrophobicContact CD2-CD2 4.32Å; L1200-F1236 HydrophobicContact CD2-CE2 4.1Å; L1201-F1236 HydrophobicContact CD1-CZ 4.47Å; L1204-F1236 HydrophobicContact CD1-CD2 4.36Å; L1204-F1236 HydrophobicContact CD1-CE2 3.58Å; L1204-F1236 HydrophobicContact CD1-CZ 4.32Å; I1232-F1236 WeakPolarHBondContact O-CB 3.44Å; I1232-F1236 PolarHBondContact O-N 2.95Å; A1233-F1236 PolarHBondContact O-N 2.92Å; F1236-F1240 AromaticContact CD1-CD2 3.97Å; F1236-F1240 HydrophobicContact CD1-CD2 3.97Å; F1236-F1240 HydrophobicContact CD1-CE2 4.35Å; F1236-F1240 HydrophobicContact CD2-CD2 4.5Å; F1236-F1240 HydrophobicContact CD2-CE2 4.23Å; F1236-F1240 AromaticContact CE1-CD2 3.99Å; F1236-F1240 HydrophobicContact CE1-CD2 3.99Å; F1236-F1240 HydrophobicContact CE1-CE2 4.1Å; F1236-F1240 AromaticContact CE2-CE2 3.95Å; F1236-F1240 HydrophobicContact CE2-CE2 3.95Å; F1236-F1240 HydrophobicContact CG-CD2 4.24Å; F1236-F1240 HydrophobicContact CG-CE2 4.42Å; F1236-F1240 HydrophobicContact CZ-CD2 4.27Å; F1236-F1240 AromaticContact CZ-CE2 3.9Å; F1236-F1240 HydrophobicContact CZ-CE2 3.9Å; F1236-F1240 WeakPolarHBondContact O-CD2 3.25Å; F1236-F1240 PolarHBondContact O-N 3.05Å
1237A46.7Very low45.9Very low75 Ų7588.9 Ų88.962%0.6250%0.496SS*.Hα-helixtrans-70.2-29.9175.700000114.1A1233 L1234 K1235A1233-A1237 WeakPolarHBondContact O-CB 3.38Å; A1233-A1237 PolarHBondContact O-N 3.19Å; L1234-A1237 PolarHBondContact O-N 3.48Å; K1235-A1237 VanDerWaalsContact C-N 3.31Å; K1235-A1237 PolarHBondContact O-N 3.41Å
1238E48.3Very low44.6Very low138 Ų13889.5 Ų89.565%0.64551%0.511SS*.Hα-helixtrans-78.2-35175.9-81.9-176169.100113.3L1234 K1235L1234-E1238 PolarHBondContact O-N 2.69Å; K1235-E1238 IonicContact NZ-OE2 3.34Å; K1235-E1238 PolarHBondContact NZ-OE2 3.22Å; K1235-E1238 PolarHBondContact O-N 3.3Å
1239V45.2Very low43.7Very low94 Ų9488 Ų8857%0.5751%0.512SS*.Hα-helixtrans-81.3-28.4-175.7174.10000111.8K1235K1235-V1239 HydrophobicContact CG-CG2 4.36Å; K1235-V1239 WeakPolarHBondContact O-CB 3.22Å; K1235-V1239 WeakPolarHBondContact O-CG2 3.2Å; K1235-V1239 PolarHBondContact O-N 3.42Å
1240F39.6Very low43.1Very low61 Ų6189.8 Ų89.827%0.26852%0.518SS..  trans-106.7106.4-178.8-69.3-78.5000111.5L1200 F1236 P1242 L1245L1200-F1240 HydrophobicContact CD2-CE2 4.36Å; F1236-F1240 AromaticContact CD1-CD2 3.97Å; F1236-F1240 HydrophobicContact CD1-CD2 3.97Å; F1236-F1240 HydrophobicContact CD1-CE2 4.35Å; F1236-F1240 HydrophobicContact CD2-CD2 4.5Å; F1236-F1240 HydrophobicContact CD2-CE2 4.23Å; F1236-F1240 AromaticContact CE1-CD2 3.99Å; F1236-F1240 HydrophobicContact CE1-CD2 3.99Å; F1236-F1240 HydrophobicContact CE1-CE2 4.1Å; F1236-F1240 AromaticContact CE2-CE2 3.95Å; F1236-F1240 HydrophobicContact CE2-CE2 3.95Å; F1236-F1240 HydrophobicContact CG-CD2 4.24Å; F1236-F1240 HydrophobicContact CG-CE2 4.42Å; F1236-F1240 HydrophobicContact CZ-CD2 4.27Å; F1236-F1240 AromaticContact CZ-CE2 3.9Å; F1236-F1240 HydrophobicContact CZ-CE2 3.9Å; F1236-F1240 WeakPolarHBondContact O-CD2 3.25Å; F1236-F1240 PolarHBondContact O-N 3.05Å; F1240-P1242 WeakPolarHBondContact O-CD 3.37Å; F1240-L1245 HydrophobicContact CB-CD1 3.86Å; F1240-L1245 HydrophobicContact CD1-CD1 3.9Å; F1240-L1245 HydrophobicContact CD1-CD2 3.86Å; F1240-L1245 HydrophobicContact CD1-CG 3.98Å; F1240-L1245 HydrophobicContact CE1-CD2 4.15Å; F1240-L1245 HydrophobicContact CG-CD1 4.13Å
1241C36.3Very low42.6Very low73 Ų7383.8 Ų83.849%0.49350%0.497SS..  trans-66.2127.4165.5-171.80000108.3A1243 S1244C1241-A1243 PolarHBondContact O-N 3.26Å; C1241-S1244 WeakPolarHBondContact CB-OG 3.42Å; C1241-S1244 PolarHBondContact O-N 3.37Å; C1241-S1244 PolarHBondContact O-OG 2.99Å
1242P35.7Very low41.7Very low107 Ų10781.6 Ų81.670%0.69550%0.496SS*.THydrogen-bonded Turntrans-57.6-16.5178.4-23.932.3000114F1240 F1247F1240-P1242 WeakPolarHBondContact O-CD 3.37Å; P1242-F1247 WeakPolarHBondContact O-CE2 3.48Å
1243A33.6Very low41.2Very low96 Ų9679.7 Ų79.779%0.79349%0.486SS*.THydrogen-bonded Turntrans-92.8-9.1178.600000114.3C1241C1241-A1243 PolarHBondContact O-N 3.26Å
1244S36.8Very low41Very low87 Ų8779.3 Ų79.361%0.60848%0.477SS*.SBendtrans-105.4-0.1-177.6590000114.1C1241C1241-S1244 WeakPolarHBondContact CB-OG 3.42Å; C1241-S1244 PolarHBondContact O-N 3.37Å; C1241-S1244 PolarHBondContact O-OG 2.99Å
1245L37.4Very low40.6Very low67 Ų6778.9 Ų78.935%0.35148%0.475SS..SBendtrans-94.9117172.5-79.4161000108.9F1240 F1247F1240-L1245 HydrophobicContact CB-CD1 3.86Å; F1240-L1245 HydrophobicContact CD1-CD1 3.9Å; F1240-L1245 HydrophobicContact CD1-CD2 3.86Å; F1240-L1245 HydrophobicContact CD1-CG 3.98Å; F1240-L1245 HydrophobicContact CE1-CD2 4.15Å; F1240-L1245 HydrophobicContact CG-CD1 4.13Å; L1245-F1247 VanDerWaalsContact C-N 3.27Å; L1245-F1247 HydrophobicContact CB-CD2 4.31Å; L1245-F1247 HydrophobicContact CB-CE2 3.94Å; L1245-F1247 HydrophobicContact CB-CZ 4.09Å; L1245-F1247 HydrophobicContact CD1-CZ 4.32Å; L1245-F1247 VanDerWaalsContact O-CD2 3.24Å; L1245-F1247 WeakPolarHBondContact O-CD2 3.07Å; L1245-F1247 PolarHBondContact O-N 2.87Å
1246D38.3Very low40.1Very low139 Ų13978.7 Ų78.774%0.74347%0.472SS*.  trans-71.986.5167.7-173.23.3000108.9G1248 G1249D1246-G1248 PolarHBondContact O-N 3.21Å; D1246-G1248 VanDerWaalsContact O-N 3.07Å; D1246-G1248 WeakPolarHBondContact OD1-CA 3.46Å; D1246-G1248 PolarHBondContact OD1-N 3.45Å; D1246-G1249 PolarHBondContact O-N 2.89Å
1247F39.9Very low39.9Very low106 Ų10679 Ų7947%0.46548%0.476SS..G310 helixtrans-60.8-10.2173.8-68.6-80.5000112.8P1242 L1245 G1249 L1250P1242-F1247 WeakPolarHBondContact O-CE2 3.48Å; L1245-F1247 VanDerWaalsContact C-N 3.27Å; L1245-F1247 HydrophobicContact CB-CD2 4.31Å; L1245-F1247 HydrophobicContact CB-CE2 3.94Å; L1245-F1247 HydrophobicContact CB-CZ 4.09Å; L1245-F1247 HydrophobicContact CD1-CZ 4.32Å; L1245-F1247 VanDerWaalsContact O-CD2 3.24Å; L1245-F1247 WeakPolarHBondContact O-CD2 3.07Å; L1245-F1247 PolarHBondContact O-N 2.87Å; F1247-G1249 PolarHBondContact O-N 3.36Å; F1247-L1250 HydrophobicContact CD1-CD1 4Å
1248G32.9Very low39.8Very low72 Ų7279.2 Ų79.274%0.74247%0.466SS*.G310 helixtrans-68-13.2178.600000114.8D1246D1246-G1248 PolarHBondContact O-N 3.21Å; D1246-G1248 VanDerWaalsContact O-N 3.07Å; D1246-G1248 WeakPolarHBondContact OD1-CA 3.46Å; D1246-G1248 PolarHBondContact OD1-N 3.45Å
1249G36.2Very low39.3Very low33 Ų3374.4 Ų74.434%0.3445%0.454SS..G310 helixtrans-106.3-8.9179.800000116.3D1246 F1247D1246-G1249 PolarHBondContact O-N 2.89Å; F1247-G1249 PolarHBondContact O-N 3.36Å
1250L39.4Very low39.2Very low52 Ų5277.1 Ų77.127%0.27245%0.454SS..  trans-81125.5179.2-74.5161.5000109.8F1247 D1254 L1255F1247-L1250 HydrophobicContact CD1-CD1 4Å; L1250-D1254 HydrophobicContact CB-CB 4.31Å; L1250-D1254 HydrophobicContact CD2-CB 3.6Å; L1250-L1255 HydrophobicContact CB-CG 4.16Å; L1250-L1255 HydrophobicContact CD1-CD2 4.39Å
1251Q43.2Very low39.3Very low26 Ų2677.7 Ų77.712%0.12146%0.456CS..  trans-71.8162.1175.9-62.2-169.1-12.700110.4G430 I463 D1253 D1254 L1255G430-Q1251 PolarHBondContact O-NE2 2.9Å; I463-Q1251 PolarHBondContact O-NE2 2.91Å; Q1251-D1253 PolarHBondContact O-N 3.23Å; Q1251-D1253 VanDerWaalsContact O-N 3.07Å; Q1251-D1254 PolarHBondContact N-OD2 3.42Å; Q1251-D1254 VanDerWaalsContact N-OD2 3.09Å; Q1251-D1254 PolarHBondContact O-N 3.04Å; Q1251-L1255 PolarHBondContact O-N 3.06Å; Q1251-L1255 VanDerWaalsContact O-N 3.1Å
1252S37.8Very low39.6Very low83 Ų8378 Ų7858%0.5845%0.453SS*.Hα-helixtrans-50.4-34.8173.953.90000111.7Y1256S1252-Y1256 WeakPolarHBondContact O-CA 3.29Å; S1252-Y1256 WeakPolarHBondContact O-CB 3.5Å; S1252-Y1256 PolarHBondContact O-N 3.3Å
1253D40.5Very low39.7Very low36 Ų3673.9 Ų73.919%0.19343%0.429CS..Hα-helixtrans-75.5-31.5-177.1-72.722.2000112.1R442 Q1251 Y1256 N1257R442-D1253 IonicContact CZ-OD2 3.24Å; R442-D1253 IonicContact NH1-OD2 2.71Å; R442-D1253 PolarHBondContact NH1-OD2 3.44Å; R442-D1253 VanDerWaalsContact NH1-OD2 3.11Å; R442-D1253 IonicContact NH2-OD2 3.56Å; R442-D1253 PolarHBondContact NH2-OD2 2.68Å; Q1251-D1253 PolarHBondContact O-N 3.23Å; Q1251-D1253 VanDerWaalsContact O-N 3.07Å; D1253-Y1256 CarbonylContact O-C 3.6Å; D1253-Y1256 PolarHBondContact O-N 3.08Å; D1253-N1257 WeakPolarHBondContact O-CB 3.22Å; D1253-N1257 PolarHBondContact O-N 3.34Å; D1253-N1257 PolarHBondContact O-ND2 3.25Å; D1253-N1257 VanDerWaalsContact O-ND2 3.16Å
1254D43.3Very low40.1Very low45 Ų4575.8 Ų75.824%0.24142%0.42CS..Hα-helixtrans-72.2-42.1173.3-58.9-43.9000111.1L1250 Q1251 Y1256 N1257 L1258L1250-D1254 HydrophobicContact CB-CB 4.31Å; L1250-D1254 HydrophobicContact CD2-CB 3.6Å; Q1251-D1254 PolarHBondContact N-OD2 3.42Å; Q1251-D1254 VanDerWaalsContact N-OD2 3.09Å; Q1251-D1254 PolarHBondContact O-N 3.04Å; D1254-Y1256 VanDerWaalsContact C-N 3.3Å; D1254-N1257 PolarHBondContact O-N 2.89Å; D1254-L1258 WeakPolarHBondContact O-CB 3.29Å; D1254-L1258 PolarHBondContact O-N 3.16Å
1255L42.6Very low40.5Very low82 Ų8275.7 Ų75.743%0.42941%0.406SS..Hα-helixtrans-67.2-32.8172.6-73.1169.1000111.8L1250 Q1251 G1259L1250-L1255 HydrophobicContact CB-CG 4.16Å; L1250-L1255 HydrophobicContact CD1-CD2 4.39Å; Q1251-L1255 PolarHBondContact O-N 3.06Å; Q1251-L1255 VanDerWaalsContact O-N 3.1Å; L1255-G1259 WeakPolarHBondContact O-CA 3.43Å; L1255-G1259 PolarHBondContact O-N 3.4Å
1256Y39.5Very low40.7Very low121 Ų12178.4 Ų78.448%0.47542%0.417SS..Hα-helixtrans-75.7-34.6175.7-180-97.5000112S1252 D1253 D1254 G1259 R1260S1252-Y1256 WeakPolarHBondContact O-CA 3.29Å; S1252-Y1256 WeakPolarHBondContact O-CB 3.5Å; S1252-Y1256 PolarHBondContact O-N 3.3Å; D1253-Y1256 CarbonylContact O-C 3.6Å; D1253-Y1256 PolarHBondContact O-N 3.08Å; D1254-Y1256 VanDerWaalsContact C-N 3.3Å; Y1256-G1259 CarbonylContact O-C 3.59Å; Y1256-G1259 PolarHBondContact O-N 2.78Å; Y1256-R1260 HydrophobicContact CD1-CG 4.26Å; Y1256-R1260 HydrophobicContact CE1-CG 3.94Å; Y1256-R1260 VanDerWaalsContact CZ-NE 3.28Å; Y1256-R1260 WeakPolarHBondContact O-CA 3.47Å; Y1256-R1260 VanDerWaalsContact O-CB 3.25Å; Y1256-R1260 WeakPolarHBondContact O-CB 3.36Å; Y1256-R1260 WeakPolarHBondContact O-CG 3.22Å; Y1256-R1260 PolarHBondContact O-N 3.37Å; Y1256-R1260 PolarHBondContact OH-NE 3.21Å; Y1256-R1260 PolarHBondContact OH-NH2 3.42Å
1257N44.9Very low40.9Very low67 Ų6777.1 Ų77.136%0.35841%0.41SS..Hα-helixtrans-73.3-39.7173.2-75.9-28.4000111.2D1253 D1254 G1259 R1260 F1261D1253-N1257 WeakPolarHBondContact O-CB 3.22Å; D1253-N1257 PolarHBondContact O-N 3.34Å; D1253-N1257 PolarHBondContact O-ND2 3.25Å; D1253-N1257 VanDerWaalsContact O-ND2 3.16Å; D1254-N1257 PolarHBondContact O-N 2.89Å; N1257-G1259 VanDerWaalsContact C-N 3.32Å; N1257-R1260 PolarHBondContact O-N 3.49Å; N1257-F1261 VanDerWaalsContact O-CB 3.32Å; N1257-F1261 WeakPolarHBondContact O-CB 3.46Å; N1257-F1261 PolarHBondContact O-N 3.24Å
1258L43.6Very low41.3Very low79 Ų7975.7 Ų75.741%0.41441%0.407SS..Hα-helixtrans-64.9-39170-160.477.8000110.9D1254 F1261 I1262D1254-L1258 WeakPolarHBondContact O-CB 3.29Å; D1254-L1258 PolarHBondContact O-N 3.16Å; L1258-F1261 PolarHBondContact O-N 3.06Å; L1258-I1262 HydrophobicContact CG-CD1 4.27Å; L1258-I1262 WeakPolarHBondContact O-CB 3.21Å; L1258-I1262 WeakPolarHBondContact O-CD1 3.39Å; L1258-I1262 WeakPolarHBondContact O-CG1 3.41Å; L1258-I1262 PolarHBondContact O-N 3.01Å
1259G38.9Very low41.8Very low37 Ų3776.9 Ų76.938%0.38139%0.393SS..Hα-helixtrans-70.5-35.2175.500000113.6L1255 Y1256 N1257 G1263L1255-G1259 WeakPolarHBondContact O-CA 3.43Å; L1255-G1259 PolarHBondContact O-N 3.4Å; Y1256-G1259 CarbonylContact O-C 3.59Å; Y1256-G1259 PolarHBondContact O-N 2.78Å; N1257-G1259 VanDerWaalsContact C-N 3.32Å; G1259-G1263 WeakPolarHBondContact O-CA 3.42Å; G1259-G1263 PolarHBondContact O-N 3.27Å
1260R42.3Very low41.9Very low150 Ų15078.8 Ų78.857%0.56640%0.402SS*.Hα-helixtrans-71.3-37.1170.4-86.5-154.5-170.417510.4110.9Y1256 N1257 F1264Y1256-R1260 HydrophobicContact CD1-CG 4.26Å; Y1256-R1260 HydrophobicContact CE1-CG 3.94Å; Y1256-R1260 VanDerWaalsContact CZ-NE 3.28Å; Y1256-R1260 WeakPolarHBondContact O-CA 3.47Å; Y1256-R1260 VanDerWaalsContact O-CB 3.25Å; Y1256-R1260 WeakPolarHBondContact O-CB 3.36Å; Y1256-R1260 WeakPolarHBondContact O-CG 3.22Å; Y1256-R1260 PolarHBondContact O-N 3.37Å; Y1256-R1260 PolarHBondContact OH-NE 3.21Å; Y1256-R1260 PolarHBondContact OH-NH2 3.42Å; N1257-R1260 PolarHBondContact O-N 3.49Å; R1260-F1264 WeakPolarHBondContact O-CA 3.47Å; R1260-F1264 WeakPolarHBondContact O-CB 3.45Å; R1260-F1264 PolarHBondContact O-N 2.86Å
1261F41.9Very low41.7Very low73 Ų7382.4 Ų82.432%0.3242%0.421SS..Hα-helixtrans-61.7-54.9171.6-175-97.7000109.1V1208 N1257 L1258 G1263 W1265V1208-F1261 HydrophobicContact CG1-CE2 4.48Å; N1257-F1261 VanDerWaalsContact O-CB 3.32Å; N1257-F1261 WeakPolarHBondContact O-CB 3.46Å; N1257-F1261 PolarHBondContact O-N 3.24Å; L1258-F1261 PolarHBondContact O-N 3.06Å; F1261-G1263 VanDerWaalsContact C-N 3.33Å; F1261-G1263 PolarHBondContact O-N 2.95Å; F1261-W1265 AromaticContact CD2-CD1 3.93Å; F1261-W1265 AromaticContact CD2-NE1 3.77Å; F1261-W1265 AromaticContact CE2-CD1 3.88Å; F1261-W1265 AromaticContact CE2-NE1 3.39Å; F1261-W1265 AromaticContact CZ-CD1 3.91Å; F1261-W1265 AromaticContact CZ-NE1 3.64Å; F1261-W1265 WeakPolarHBondContact O-CB 3.34Å; F1261-W1265 PolarHBondContact O-N 3.14Å; F1261-W1265 VanDerWaalsContact O-N 3.09Å
1262I43.9Very low41.4Very low81 Ų8184.8 Ų84.842%0.41544%0.44SS..Hα-helixtrans-60.6-40.3178.3-67165.8000111.8L1258 W1265 Q1266L1258-I1262 HydrophobicContact CG-CD1 4.27Å; L1258-I1262 WeakPolarHBondContact O-CB 3.21Å; L1258-I1262 WeakPolarHBondContact O-CD1 3.39Å; L1258-I1262 WeakPolarHBondContact O-CG1 3.41Å; L1258-I1262 PolarHBondContact O-N 3.01Å; I1262-W1265 PolarHBondContact O-N 2.96Å; I1262-Q1266 HydrophobicContact CG2-CG 4.37Å; I1262-Q1266 WeakPolarHBondContact O-CB 3.47Å; I1262-Q1266 VanDerWaalsContact O-CG 3.28Å; I1262-Q1266 WeakPolarHBondContact O-CG 3.48Å; I1262-Q1266 PolarHBondContact O-N 3.14Å
1263G37.7Very low41.3Very low19 Ų1989 Ų8920%0.19645%0.45CS..Hα-helixtrans-72.4-45.3-179.300000113.5G1259 F1261 W1265 Q1266 D1267G1259-G1263 WeakPolarHBondContact O-CA 3.42Å; G1259-G1263 PolarHBondContact O-N 3.27Å; F1261-G1263 VanDerWaalsContact C-N 3.33Å; F1261-G1263 PolarHBondContact O-N 2.95Å; G1263-W1265 PolarHBondContact O-N 3.16Å; G1263-Q1266 PolarHBondContact O-N 3.29Å; G1263-Q1266 VanDerWaalsContact O-N 3.13Å; G1263-D1267 WeakPolarHBondContact O-CB 3.34Å; G1263-D1267 PolarHBondContact O-N 3.16Å
1264F41.2Very low40.9Very low137 Ų13796.1 Ų96.160%0.60148%0.48SS*.Hα-helixtrans-60.1-32.2173-175-94.7000111.6R1260 N1268R1260-F1264 WeakPolarHBondContact O-CA 3.47Å; R1260-F1264 WeakPolarHBondContact O-CB 3.45Å; R1260-F1264 PolarHBondContact O-N 2.86Å; F1264-N1268 PolarHBondContact O-ND2 3.38Å
1265W44.2Very low40.4Very low85 Ų8599 Ų9932%0.32250%0.504SS..Hα-helixtrans-83.5-29.1175-74.4110.8000113.7L1215 F1261 I1262 G1263 Q1269L1215-W1265 HydrophobicContact CD1-CH2 4.16Å; L1215-W1265 HydrophobicContact CD1-CZ2 3.86Å; F1261-W1265 AromaticContact CD2-CD1 3.93Å; F1261-W1265 AromaticContact CD2-NE1 3.77Å; F1261-W1265 AromaticContact CE2-CD1 3.88Å; F1261-W1265 AromaticContact CE2-NE1 3.39Å; F1261-W1265 AromaticContact CZ-CD1 3.91Å; F1261-W1265 AromaticContact CZ-NE1 3.64Å; F1261-W1265 WeakPolarHBondContact O-CB 3.34Å; F1261-W1265 PolarHBondContact O-N 3.14Å; F1261-W1265 VanDerWaalsContact O-N 3.09Å; I1262-W1265 PolarHBondContact O-N 2.96Å; G1263-W1265 PolarHBondContact O-N 3.16Å; W1265-Q1269 PolarHBondContact O-N 3.24Å
1266Q42.9Very low39.9Very low124 Ų124103.8 Ų103.858%0.57952%0.524SS*.Hα-helixtrans-76.3-37.9173.4-81179.8-600112.7I1262 G1263 N1268 Q1269 S1270I1262-Q1266 HydrophobicContact CG2-CG 4.37Å; I1262-Q1266 WeakPolarHBondContact O-CB 3.47Å; I1262-Q1266 VanDerWaalsContact O-CG 3.28Å; I1262-Q1266 WeakPolarHBondContact O-CG 3.48Å; I1262-Q1266 PolarHBondContact O-N 3.14Å; G1263-Q1266 PolarHBondContact O-N 3.29Å; G1263-Q1266 VanDerWaalsContact O-N 3.13Å; Q1266-N1268 VanDerWaalsContact C-N 3.33Å; Q1266-N1268 PolarHBondContact O-N 3.41Å; Q1266-Q1269 WeakPolarHBondContact O-CB 3.41Å; Q1266-Q1269 PolarHBondContact O-N 3.44Å; Q1266-Q1269 VanDerWaalsContact O-N 3.12Å; Q1266-S1270 PolarHBondContact O-N 2.99Å
1267D43Very low39.5Very low111 Ų111107.4 Ų107.459%0.59454%0.542SS*.Hα-helixtrans-69-32.4178.3-73.8-23.2000111.7G1263 Q1269 S1270G1263-D1267 WeakPolarHBondContact O-CB 3.34Å; G1263-D1267 PolarHBondContact O-N 3.16Å; D1267-Q1269 VanDerWaalsContact C-N 3.33Å; D1267-Q1269 PolarHBondContact O-N 3.07Å; D1267-S1270 PolarHBondContact O-N 2.65Å; D1267-S1270 PolarHBondContact O-OG 2.59Å
1268N47.2Very low38.8Very low76 Ų76109.1 Ų109.141%0.40656%0.559SS.*Hα-helixtrans-76.7-13.9172.4-77.6-51.6000114.2F1264 Q1266 S1270F1264-N1268 PolarHBondContact O-ND2 3.38Å; Q1266-N1268 VanDerWaalsContact C-N 3.33Å; Q1266-N1268 PolarHBondContact O-N 3.41Å; N1268-S1270 VanDerWaalsContact C-N 3.33Å
1269Q42.5Very low38.1Very low97 Ų97113.1 Ų113.145%0.45358%0.581SS.*Hα-helixtrans-75.1-22.4166.4-78.9-170.5-3.100112.7W1265 Q1266 D1267 L1271W1265-Q1269 PolarHBondContact O-N 3.24Å; Q1266-Q1269 WeakPolarHBondContact O-CB 3.41Å; Q1266-Q1269 PolarHBondContact O-N 3.44Å; Q1266-Q1269 VanDerWaalsContact O-N 3.12Å; D1267-Q1269 VanDerWaalsContact C-N 3.33Å; D1267-Q1269 PolarHBondContact O-N 3.07Å; Q1269-L1271 VanDerWaalsContact C-N 3.34Å
1270S39Very low37.9Very low74 Ų74117.5 Ų117.552%0.51760%0.596SS.*Hα-helixtrans-78.5-18.7177.4790000113.5Q1266 D1267 N1268Q1266-S1270 PolarHBondContact O-N 2.99Å; D1267-S1270 PolarHBondContact O-N 2.65Å; D1267-S1270 PolarHBondContact O-OG 2.59Å; N1268-S1270 VanDerWaalsContact C-N 3.33Å
1271L34.9Very low37.3Very low128 Ų128119.4 Ų119.467%0.6761%0.608SS**Hα-helixtrans-92.4-21.7178.7-81.9151000113.9Q1269Q1269-L1271 VanDerWaalsContact C-N 3.34Å
1272S36.9Very low36.8Very low76 Ų76124.6 Ų124.653%0.53163%0.633SS.*Hα-helixtrans-90.8-6.917859.40000114.9
1273Q36Very low36Very low170 Ų170130 Ų13079%0.79468%0.678SS**THydrogen-bonded Turntrans-93.33.7172.9-71.4-168.2-1.900114.7
1274K32.9Very low35.9Very low186 Ų186135.5 Ų135.581%0.80970%0.702SS**SBendtrans-1025.2177.8-82.6-178.3177.8172.50115.8
1275S31.3Very low35.6Very low106 Ų106135.4 Ų135.474%0.74171%0.707SS**SBendtrans-101.512.5176.963.20000115.6
1276Q32.9Very low35.2Very low182 Ų182138.2 Ų138.285%0.8573%0.729SS**SBendtrans-11720.2177.2-97.8-170.8-5.800116
1277K30.7Very low34.7Very low198 Ų198139.1 Ų139.186%0.86174%0.737SS**SBendtrans-140.588.3168.7-76.2-173179.1173.30112.5
1278S29.8Very low34.2Very low102 Ų102140.8 Ų140.871%0.71375%0.746SS**  trans131.2107.5151.771.80000109.2N1280S1278-N1280 VanDerWaalsContact C-N 3.31Å
1279N30.3Very low33.3Very low163 Ų163145.1 Ų145.187%0.87277%0.769SS**  cis24.464.635.7-76-0000113.1
1280N34.4Very low32.7Very low130 Ų130148.6 Ų148.670%0.69579%0.792SS**  trans178.193135.3-83.3-18.2000106.8S1278S1278-N1280 VanDerWaalsContact C-N 3.31Å
1281F30.4Very low32.2Very low189 Ų189154.3 Ų154.383%0.82981%0.813SS**  93.794.496.4-101.2-77.6000112.7
1282H30.7Very low32Very low182 Ų182156.5 Ų156.584%0.84383%0.825SS**  trans28.1110.8143.2-69.4-67.2000121.1
1283S27.2Very low31.5Very low194 Ų194163.8 Ų163.8100%1.35785%0.851SS**  -154.90126.368.40000109.7

Retrieved 1,283 of 1,283 residues in 935.7 ms (Link to these results)

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