A0A5K4FE95_SCHMA Loading...

LSDAT_euk domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FE95, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,058 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
1M48.6Very low61.1Low212 Ų212138.4 Ų138.4100%1.04466%0.661SS**  0-47.90-80.8-160.8-125.500112.7E3 K4 S5M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 3.49Å; M1-K4 PolarHBondContact O-N 3.38Å; M1-S5 PolarHBondContact O-N 3.08Å
2L60.7Low61.4Low145 Ų145137.3 Ų137.376%0.75965%0.651SS**Hα-helixtrans-58.2-37.6178.2-80.5154000114.4S5 K6L2-S5 PolarHBondContact O-N 3.49Å; L2-K6 PolarHBondContact O-N 2.76Å
3E59.9Low61Low165 Ų165134.7 Ų134.777%0.77164%0.641SS**Hα-helixtrans-66-44.8174.5-76.4177157.900112.8M1 S5 K6 E7M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 3.49Å; E3-S5 VanDerWaalsContact C-N 3.25Å; E3-S5 PolarHBondContact O-N 3.34Å; E3-K6 PolarHBondContact O-N 3.43Å; E3-E7 WeakPolarHBondContact O-CB 3.27Å; E3-E7 PolarHBondContact O-N 3.23Å
4K58.8Low61Low159 Ų159136.1 Ų136.169%0.69164%0.636SS**Hα-helixtrans-61.5-33.8174.6-75.4-172.4175.6-177.80112.4M1 W8M1-K4 PolarHBondContact O-N 3.38Å; K4-W8 WeakPolarHBondContact O-CB 3.3Å; K4-W8 PolarHBondContact O-N 3.11Å
5S61.3Low60.9Low76 Ų76129.4 Ų129.453%0.53162%0.619SS.*Hα-helixtrans-68-45.7173.8171.40000112M1 L2 E3 E7 W8 S9M1-S5 PolarHBondContact O-N 3.08Å; L2-S5 PolarHBondContact O-N 3.49Å; E3-S5 VanDerWaalsContact C-N 3.25Å; E3-S5 PolarHBondContact O-N 3.34Å; S5-E7 VanDerWaalsContact C-N 3.32Å; S5-E7 PolarHBondContact O-N 3.13Å; S5-W8 PolarHBondContact O-N 2.69Å; S5-S9 WeakPolarHBondContact O-CB 3.35Å; S5-S9 PolarHBondContact O-N 2.66Å
6K65.7Low61.1Low149 Ų149128.1 Ų128.165%0.64861%0.612SS**Hα-helixtrans-61.2-40.3173.8-77.3-175.2176.9-177.60112.2L2 E3 S9 Q10L2-K6 PolarHBondContact O-N 2.76Å; E3-K6 PolarHBondContact O-N 3.43Å; K6-S9 PolarHBondContact O-N 2.65Å; K6-Q10 WeakPolarHBondContact O-CB 3.45Å; K6-Q10 WeakPolarHBondContact O-CG 3.27Å; K6-Q10 PolarHBondContact O-N 3.43Å
7E63.7Low61.3Low103 Ų103128.5 Ų128.548%0.48161%0.613SS.*Hα-helixtrans-67.5-38.5178.4-148.6-174.3173.600111.8E3 S5 K11E3-E7 WeakPolarHBondContact O-CB 3.27Å; E3-E7 PolarHBondContact O-N 3.23Å; S5-E7 VanDerWaalsContact C-N 3.32Å; S5-E7 PolarHBondContact O-N 3.13Å; E7-K11 WeakPolarHBondContact O-CB 3.26Å; E7-K11 WeakPolarHBondContact O-CG 3.43Å; E7-K11 PolarHBondContact O-N 2.69Å
8W64.1Low61.7Low197 Ų197127.1 Ų127.175%0.74661%0.605SS**Hα-helixtrans-64.4-46.5171.7-111.170.5000112.1K4 S5 K11 F12K4-W8 WeakPolarHBondContact O-CB 3.3Å; K4-W8 PolarHBondContact O-N 3.11Å; S5-W8 PolarHBondContact O-N 2.69Å; W8-K11 PolarHBondContact O-N 3.03Å; W8-F12 WeakPolarHBondContact O-CB 3.32Å; W8-F12 PolarHBondContact O-N 3.39Å
9S62.6Low62Low70 Ų70124.9 Ų124.949%0.4960%0.601SS.*Hα-helixtrans-62.5-43.1177.4179.20000111.7S5 K6 K11 F12 M13S5-S9 WeakPolarHBondContact O-CB 3.35Å; S5-S9 PolarHBondContact O-N 2.66Å; K6-S9 PolarHBondContact O-N 2.65Å; S9-K11 PolarHBondContact O-N 3.12Å; S9-F12 PolarHBondContact O-N 2.99Å; S9-M13 VanDerWaalsContact O-CG 3.28Å; S9-M13 WeakPolarHBondContact O-CG 3.14Å; S9-M13 PolarHBondContact O-N 2.72Å
10Q63.8Low62.5Low115 Ų115126.6 Ų126.654%0.53760%0.601SS.*Hα-helixtrans-66.4-33.5174.7-78-176.1-9.400113.5K6 R14K6-Q10 WeakPolarHBondContact O-CB 3.45Å; K6-Q10 WeakPolarHBondContact O-CG 3.27Å; K6-Q10 PolarHBondContact O-N 3.43Å; Q10-R14 WeakPolarHBondContact O-CB 3.15Å; Q10-R14 PolarHBondContact O-N 3.08Å; Q10-R14 VanDerWaalsContact O-N 3.13Å; Q10-R14 PolarHBondContact O-NE 2.9Å
11K63.4Low63.1Low131 Ų131123.6 Ų123.657%0.5759%0.588SS**Hα-helixtrans-69.6-39172.2-81.2-179.1-179.8174.50111.5E7 W8 S9 G15E7-K11 WeakPolarHBondContact O-CB 3.26Å; E7-K11 WeakPolarHBondContact O-CG 3.43Å; E7-K11 PolarHBondContact O-N 2.69Å; W8-K11 PolarHBondContact O-N 3.03Å; S9-K11 PolarHBondContact O-N 3.12Å; K11-G15 PolarHBondContact O-N 3.46Å
12F63.6Low64.5Low125 Ų125116 Ų11655%0.54855%0.554SS.*Hα-helixtrans-64.4-49.6176.9-169.1-92.5000111.3W8 S9 R14 G15 E16W8-F12 WeakPolarHBondContact O-CB 3.32Å; W8-F12 PolarHBondContact O-N 3.39Å; S9-F12 PolarHBondContact O-N 2.99Å; F12-R14 PolarHBondContact O-N 3.07Å; F12-G15 WeakPolarHBondContact O-CA 3.17Å; F12-G15 PolarHBondContact O-N 3.26Å; F12-E16 HydrophobicContact CD1-CG 4.38Å; F12-E16 HydrophobicContact CE1-CG 4.04Å; F12-E16 VanDerWaalsContact CE1-OE1 3.25Å; F12-E16 WeakPolarHBondContact CE1-OE1 3.41Å; F12-E16 PolarHBondContact O-N 3.33Å
13M57Low65.5Low104 Ų104112.2 Ų112.251%0.51253%0.532SS..Hα-helixtrans-59.9-44176.5-68-66.8-70.100112.3S9 G15 E16 E17S9-M13 VanDerWaalsContact O-CG 3.28Å; S9-M13 WeakPolarHBondContact O-CG 3.14Å; S9-M13 PolarHBondContact O-N 2.72Å; M13-G15 VanDerWaalsContact C-N 3.28Å; M13-G15 PolarHBondContact O-N 3.49Å; M13-E16 PolarHBondContact O-N 3.41Å; M13-E17 PolarHBondContact O-N 3.21Å
14R61Low66.6Low154 Ų154108.4 Ų108.458%0.58151%0.513SS*.Hα-helixtrans-62.6-35.1173.8-88.9-174.4-82.3-165.6-8.7112.7Q10 F12 H18Q10-R14 WeakPolarHBondContact O-CB 3.15Å; Q10-R14 PolarHBondContact O-N 3.08Å; Q10-R14 VanDerWaalsContact O-N 3.13Å; Q10-R14 PolarHBondContact O-NE 2.9Å; F12-R14 PolarHBondContact O-N 3.07Å; R14-H18 WeakPolarHBondContact O-CB 3.41Å; R14-H18 PolarHBondContact O-N 3.47Å; R14-H18 VanDerWaalsContact O-N 3.1Å
15G59.6Low67.9Low36 Ų36104.8 Ų104.837%0.37150%0.498SS..Hα-helixtrans-63.5-46.1174.200000112K11 F12 M13 H18 V19K11-G15 PolarHBondContact O-N 3.46Å; F12-G15 WeakPolarHBondContact O-CA 3.17Å; F12-G15 PolarHBondContact O-N 3.26Å; M13-G15 VanDerWaalsContact C-N 3.28Å; M13-G15 PolarHBondContact O-N 3.49Å; G15-H18 PolarHBondContact O-N 3.41Å; G15-V19 VanDerWaalsContact O-CG2 3.31Å; G15-V19 WeakPolarHBondContact O-CG2 3.42Å; G15-V19 PolarHBondContact O-N 3.5Å
16E64.2Low69.2Low108 Ų108102.6 Ų102.651%0.50548%0.479SS..Hα-helixtrans-65.2-43.5177.5-72.6-169.2151.700112.8F12 M13 H18 V19 R20F12-E16 HydrophobicContact CD1-CG 4.38Å; F12-E16 HydrophobicContact CE1-CG 4.04Å; F12-E16 VanDerWaalsContact CE1-OE1 3.25Å; F12-E16 WeakPolarHBondContact CE1-OE1 3.41Å; F12-E16 PolarHBondContact O-N 3.33Å; M13-E16 PolarHBondContact O-N 3.41Å; E16-H18 PolarHBondContact O-N 2.95Å; E16-V19 PolarHBondContact O-N 2.76Å; E16-R20 PolarHBondContact O-N 3.41Å
17E64.7Low70.3Confident136 Ų13695.9 Ų95.964%0.63645%0.45SS*.Hα-helixtrans-58.9-45.7175-81.6-179.3165.500111.7M13 V19 R20 D21M13-E17 PolarHBondContact O-N 3.21Å; E17-V19 VanDerWaalsContact C-N 3.34Å; E17-V19 PolarHBondContact O-N 2.76Å; E17-R20 PolarHBondContact O-N 3.34Å; E17-D21 PolarHBondContact O-N 2.95Å
18H67.5Low71.5Confident102 Ų10294 Ų9447%0.47245%0.448SS..Hα-helixtrans-62.7-41.1177.8-170.9-39.2000111.5R14 G15 E16 R20 T22 M536R14-H18 WeakPolarHBondContact O-CB 3.41Å; R14-H18 PolarHBondContact O-N 3.47Å; R14-H18 VanDerWaalsContact O-N 3.1Å; G15-H18 PolarHBondContact O-N 3.41Å; E16-H18 PolarHBondContact O-N 2.95Å; H18-R20 VanDerWaalsContact C-N 3.31Å; H18-R20 PolarHBondContact O-N 3.36Å; H18-T22 PolarHBondContact ND1-OG1 3.17Å; H18-T22 PolarHBondContact O-N 3.18Å; H18-T22 PolarHBondContact O-OG1 3.03Å; H18-M536 WeakPolarHBondContact CE1-CE 2.9Å; H18-M536 WeakPolarHBondContact NE2-CE 3.42Å
19V67.2Low72.8Confident87 Ų8785.2 Ų85.253%0.52742%0.415SS..Hα-helixtrans-63-41.1177.5170.90000110.8G15 E16 E17 T22 K23G15-V19 VanDerWaalsContact O-CG2 3.31Å; G15-V19 WeakPolarHBondContact O-CG2 3.42Å; G15-V19 PolarHBondContact O-N 3.5Å; E16-V19 PolarHBondContact O-N 2.76Å; E17-V19 VanDerWaalsContact C-N 3.34Å; E17-V19 PolarHBondContact O-N 2.76Å; V19-T22 PolarHBondContact O-N 3.2Å; V19-K23 PolarHBondContact O-N 3.22Å; V19-K23 VanDerWaalsContact O-N 3.12Å
20R72.1Confident74.2Confident158 Ų15882 Ų8260%0.59639%0.393SS*.Hα-helixtrans-66.3-46.3178.7-156.9176.2-163.1165.14.6112.3E16 E17 H18 T22 K23 E24 F240E16-R20 PolarHBondContact O-N 3.41Å; E17-R20 PolarHBondContact O-N 3.34Å; H18-R20 VanDerWaalsContact C-N 3.31Å; H18-R20 PolarHBondContact O-N 3.36Å; R20-T22 VanDerWaalsContact C-N 3.3Å; R20-T22 PolarHBondContact O-N 3.1Å; R20-K23 WeakPolarHBondContact O-CB 3.27Å; R20-K23 PolarHBondContact O-N 3.37Å; R20-K23 VanDerWaalsContact O-N 3.1Å; R20-E24 PolarHBondContact O-N 2.84Å; R20-F240 HydrophobicContact CG-CE1 4.36Å
21D75.6Confident75.5Confident63 Ų6379.3 Ų79.334%0.33738%0.382SS..Hα-helixtrans-60.8-38.8177-17736.9000111.9E17 K23 E24 K25E17-D21 PolarHBondContact O-N 2.95Å; D21-K23 PolarHBondContact O-N 3.38Å; D21-E24 PolarHBondContact O-N 3.45Å; D21-K25 WeakPolarHBondContact O-CG 3.35Å; D21-K25 PolarHBondContact O-N 3.11Å; D21-K25 WeakPolarHBondContact OD1-CE 3.41Å; D21-K25 IonicContact OD1-NZ 3.03Å; D21-K25 IonicContact OD2-NZ 3.1Å; D21-K25 PolarHBondContact OD2-NZ 2.98Å
22T78Confident76.8Confident52 Ų5281.2 Ų81.232%0.31939%0.39SS..Hα-helixtrans-66-38.6176-40.40000111.8H18 V19 R20 K26H18-T22 PolarHBondContact ND1-OG1 3.17Å; H18-T22 PolarHBondContact O-N 3.18Å; H18-T22 PolarHBondContact O-OG1 3.03Å; V19-T22 PolarHBondContact O-N 3.2Å; R20-T22 VanDerWaalsContact C-N 3.3Å; R20-T22 PolarHBondContact O-N 3.1Å; T22-K26 PolarHBondContact O-N 3.16Å
23K80.4Confident78.2Confident67 Ų6777.9 Ų77.929%0.29138%0.376SS..Hα-helixtrans-66.9-42.7174.6-78.7-174171.7-172.30111.6V19 R20 D21 K25 K26 I27 F240V19-K23 PolarHBondContact O-N 3.22Å; V19-K23 VanDerWaalsContact O-N 3.12Å; R20-K23 WeakPolarHBondContact O-CB 3.27Å; R20-K23 PolarHBondContact O-N 3.37Å; R20-K23 VanDerWaalsContact O-N 3.1Å; D21-K23 PolarHBondContact O-N 3.38Å; K23-K25 PolarHBondContact O-N 2.94Å; K23-K26 WeakPolarHBondContact O-CB 3.37Å; K23-K26 PolarHBondContact O-N 3.09Å; K23-K26 VanDerWaalsContact O-N 3.14Å; K23-I27 VanDerWaalsContact O-CG1 3.29Å; K23-I27 WeakPolarHBondContact O-CG1 3.36Å; K23-I27 PolarHBondContact O-N 3.14Å; K23-F240 HydrophobicContact CB-CD1 4.34Å; K23-F240 HydrophobicContact CB-CE1 4.33Å; K23-F240 HydrophobicContact CD-CD1 4.39Å; K23-F240 PolarHBondContact NZ-O 3.36Å
24E84.2Confident80.1Confident84 Ų8473 Ų7339%0.39335%0.352SS..Hα-helixtrans-62-43.3177.2-77.5179.9-17700112.6R20 D21 K26 I27 S28 F240R20-E24 PolarHBondContact O-N 2.84Å; D21-E24 PolarHBondContact O-N 3.45Å; E24-K26 VanDerWaalsContact C-N 3.25Å; E24-K26 PolarHBondContact O-N 3.29Å; E24-I27 PolarHBondContact O-N 3.3Å; E24-S28 WeakPolarHBondContact O-CB 3.31Å; E24-S28 PolarHBondContact O-N 3.4Å; E24-S28 PolarHBondContact O-OG 3.35Å; E24-F240 HydrophobicContact CG-CE1 3.78Å; E24-F240 HydrophobicContact CG-CZ 3.7Å
25K86.7Confident81.6Confident84 Ų8467.4 Ų67.437%0.36534%0.335SS..Hα-helixtrans-59.3-36.7173.4-75.7169.5177.9159.30112.4D21 K23 S28 F29 Y134D21-K25 WeakPolarHBondContact O-CG 3.35Å; D21-K25 PolarHBondContact O-N 3.11Å; D21-K25 WeakPolarHBondContact OD1-CE 3.41Å; D21-K25 IonicContact OD1-NZ 3.03Å; D21-K25 IonicContact OD2-NZ 3.1Å; D21-K25 PolarHBondContact OD2-NZ 2.98Å; K23-K25 PolarHBondContact O-N 2.94Å; K25-S28 WeakPolarHBondContact CA-OG 3.41Å; K25-S28 PolarHBondContact O-OG 3.29Å; K25-F29 WeakPolarHBondContact O-CB 3.46Å; K25-F29 PolarHBondContact O-N 3.13Å; K25-F29 VanDerWaalsContact O-N 3.14Å; K25-Y134 HydrophobicContact CB-CE1 4.48Å; K25-Y134 WeakPolarHBondContact O-CE1 3.39Å
26K88.2Confident83.2Confident30 Ų3066.4 Ų66.413%0.1332%0.32CS..Hα-helixtrans-69.3-46.7175.2-179-178.9169.9-164.20112T22 K23 E24 F29 V30 E114 Y134T22-K26 PolarHBondContact O-N 3.16Å; K23-K26 WeakPolarHBondContact O-CB 3.37Å; K23-K26 PolarHBondContact O-N 3.09Å; K23-K26 VanDerWaalsContact O-N 3.14Å; E24-K26 VanDerWaalsContact C-N 3.25Å; E24-K26 PolarHBondContact O-N 3.29Å; K26-F29 PolarHBondContact O-N 3.25Å; K26-V30 WeakPolarHBondContact O-CG2 3.15Å; K26-V30 PolarHBondContact O-N 3.23Å; K26-E114 IonicContact NZ-OE1 3.78Å; K26-E114 PolarHBondContact NZ-OE1 2.96Å; K26-E114 IonicContact NZ-OE2 2.96Å; K26-E114 PolarHBondContact NZ-OE2 3.15Å; K26-Y134 HydrophobicContact CB-CD1 3.69Å; K26-Y134 HydrophobicContact CB-CE1 4.35Å; K26-Y134 HydrophobicContact CB-CG 4.47Å; K26-Y134 HydrophobicContact CG-CD1 4.05Å; K26-Y134 HydrophobicContact CG-CG 4.36Å
27I88.5Confident84.4Confident7 Ų761.8 Ų61.84%0.03630%0.299CS..Hα-helixtrans-61-48.5-179.8-66.9165.6000110.2K23 E24 F29 V30 L31 F97 Y236 H239 F240K23-I27 VanDerWaalsContact O-CG1 3.29Å; K23-I27 WeakPolarHBondContact O-CG1 3.36Å; K23-I27 PolarHBondContact O-N 3.14Å; E24-I27 PolarHBondContact O-N 3.3Å; I27-F29 VanDerWaalsContact C-N 3.32Å; I27-F29 PolarHBondContact O-N 3.2Å; I27-V30 PolarHBondContact O-N 3.46Å; I27-L31 HydrophobicContact CG2-CD1 3.89Å; I27-L31 HydrophobicContact CG2-CG 4.48Å; I27-L31 WeakPolarHBondContact O-CG 3.2Å; I27-L31 PolarHBondContact O-N 2.97Å; I27-F97 HydrophobicContact CB-CE2 4.25Å; I27-F97 HydrophobicContact CG1-CE2 4.09Å; I27-F97 HydrophobicContact CG2-CE2 3.91Å; I27-F97 HydrophobicContact CG2-CZ 4.04Å; I27-Y236 HydrophobicContact CG2-CD2 4.5Å; I27-Y236 HydrophobicContact CG2-CE2 3.56Å; I27-H239 HydrophobicContact CD1-CB 3.89Å; I27-H239 HydrophobicContact CG1-CB 4.14Å; I27-F240 HydrophobicContact CD1-CD1 4.19Å; I27-F240 HydrophobicContact CD1-CD2 3.97Å; I27-F240 HydrophobicContact CD1-CE1 3.84Å; I27-F240 HydrophobicContact CD1-CE2 3.61Å; I27-F240 HydrophobicContact CD1-CG 4.27Å; I27-F240 HydrophobicContact CD1-CZ 3.55Å
28S88.9Confident85.6Confident64 Ų6456.5 Ų56.545%0.44827%0.274SS..Hα-helixtrans-61.6-38.2177.554.80000113E24 K25 K32E24-S28 WeakPolarHBondContact O-CB 3.31Å; E24-S28 PolarHBondContact O-N 3.4Å; E24-S28 PolarHBondContact O-OG 3.35Å; K25-S28 WeakPolarHBondContact CA-OG 3.41Å; K25-S28 PolarHBondContact O-OG 3.29Å; S28-K32 WeakPolarHBondContact O-CB 3.39Å; S28-K32 PolarHBondContact O-N 3.13Å
29F92.3Very high86.7Confident13 Ų1351.8 Ų51.86%0.05725%0.252CS..Hα-helixtrans-62.1-49173.4178.7-98.8000111.8K25 K26 I27 L31 K32 H33 F34 L129 L130 Y134K25-F29 WeakPolarHBondContact O-CB 3.46Å; K25-F29 PolarHBondContact O-N 3.13Å; K25-F29 VanDerWaalsContact O-N 3.14Å; K26-F29 PolarHBondContact O-N 3.25Å; I27-F29 VanDerWaalsContact C-N 3.32Å; I27-F29 PolarHBondContact O-N 3.2Å; F29-L31 PolarHBondContact O-N 2.87Å; F29-K32 PolarHBondContact O-N 2.63Å; F29-H33 AromaticContact CD2-CD2 3.54Å; F29-H33 AromaticContact CD2-NE2 3.93Å; F29-H33 AromaticContact CE2-CD2 3.39Å; F29-H33 WeakPolarHBondContact CE2-CD2 3.28Å; F29-H33 AromaticContact CE2-CG 3.9Å; F29-H33 AromaticContact CE2-NE2 3.64Å; F29-H33 HydrophobicContact CZ-CB 4.39Å; F29-H33 PolarHBondContact O-CD2 3.47Å; F29-H33 PolarHBondContact O-N 3.39Å; F29-H33 VanDerWaalsContact O-N 3.13Å; F29-F34 HydrophobicContact CD1-CE2 4.48Å; F29-F34 AromaticContact CE1-CE2 3.99Å; F29-F34 HydrophobicContact CE1-CE2 3.99Å; F29-F34 HydrophobicContact CE1-CZ 4.38Å; F29-L129 HydrophobicContact CE2-CD2 3.63Å; F29-L129 HydrophobicContact CE2-CG 4.44Å; F29-L129 HydrophobicContact CZ-CB 4.17Å; F29-L129 HydrophobicContact CZ-CD2 3.75Å; F29-L129 HydrophobicContact CZ-CG 4.18Å; F29-L130 HydrophobicContact CD1-CD1 4.15Å; F29-L130 HydrophobicContact CE1-CB 4.17Å; F29-L130 HydrophobicContact CE1-CD1 4.26Å; F29-Y134 HydrophobicContact CB-CE1 3.89Å; F29-Y134 HydrophobicContact CB-CE2 3.94Å; F29-Y134 VanDerWaalsContact CB-CZ 3.46Å; F29-Y134 WeakPolarHBondContact CB-OH 3.35Å; F29-Y134 AromaticContact CD1-CD2 3.84Å; F29-Y134 HydrophobicContact CD1-CD2 3.84Å; F29-Y134 AromaticContact CD1-CE2 3.49Å; F29-Y134 HydrophobicContact CD1-CE2 3.49Å; F29-Y134 VanDerWaalsContact CD1-CE2 3.49Å; F29-Y134 AromaticContact CD1-CZ 3.97Å; F29-Y134 AromaticContact CD2-CE2 3.64Å; F29-Y134 HydrophobicContact CD2-CE2 3.64Å; F29-Y134 AromaticContact CD2-CZ 3.74Å; F29-Y134 WeakPolarHBondContact CD2-OH 3.44Å; F29-Y134 HydrophobicContact CE1-CD2 4.14Å; F29-Y134 AromaticContact CE1-CE2 3.87Å; F29-Y134 HydrophobicContact CE1-CE2 3.87Å; F29-Y134 HydrophobicContact CE2-CE2 4.02Å; F29-Y134 HydrophobicContact CG-CD2 4.17Å; F29-Y134 HydrophobicContact CG-CE1 4.26Å; F29-Y134 AromaticContact CG-CE2 3.37Å; F29-Y134 HydrophobicContact CG-CE2 3.37Å; F29-Y134 AromaticContact CG-CZ 3.42Å; F29-Y134 VanDerWaalsContact CG-CZ 3.42Å; F29-Y134 WeakPolarHBondContact CG-OH 3.45Å; F29-Y134 HydrophobicContact CZ-CE2 4.13Å
30V90.7Very high87.6Confident2 Ų250.2 Ų50.21%0.01224%0.241CC..Hα-helixtrans-61.1-46.9-178.6169.40000111.4K26 I27 K32 H33 F34 F97 V116 L130K26-V30 WeakPolarHBondContact O-CG2 3.15Å; K26-V30 PolarHBondContact O-N 3.23Å; I27-V30 PolarHBondContact O-N 3.46Å; V30-K32 PolarHBondContact O-N 2.96Å; V30-H33 PolarHBondContact O-N 2.78Å; V30-F34 HydrophobicContact CB-CD2 4.26Å; V30-F34 HydrophobicContact CG1-CD2 4.05Å; V30-F34 HydrophobicContact CG2-CD2 4.23Å; V30-F34 HydrophobicContact CG2-CE2 4.43Å; V30-F34 PolarHBondContact O-N 3Å; V30-F97 HydrophobicContact CB-CD2 4.27Å; V30-F97 HydrophobicContact CB-CE2 4.4Å; V30-F97 HydrophobicContact CB-CG 4.44Å; V30-F97 HydrophobicContact CG1-CB 4Å; V30-F97 HydrophobicContact CG1-CD1 3.62Å; V30-F97 HydrophobicContact CG1-CD2 3.85Å; V30-F97 HydrophobicContact CG1-CE1 4.01Å; V30-F97 HydrophobicContact CG1-CE2 4.21Å; V30-F97 HydrophobicContact CG1-CG 3.53Å; V30-F97 HydrophobicContact CG1-CZ 4.29Å; V30-V116 HydrophobicContact CG1-CG2 4.06Å; V30-L130 HydrophobicContact CG2-CD1 3.97Å
31L90.7Very high88.1Confident59 Ų5946 Ų4631%0.30923%0.226SC..Hα-helixtrans-64.3-24.9179.8-71.3172.8000113.5I27 F29 P93 F97 Y236I27-L31 HydrophobicContact CG2-CD1 3.89Å; I27-L31 HydrophobicContact CG2-CG 4.48Å; I27-L31 WeakPolarHBondContact O-CG 3.2Å; I27-L31 PolarHBondContact O-N 2.97Å; F29-L31 PolarHBondContact O-N 2.87Å; L31-P93 HydrophobicContact CD2-CB 4.15Å; L31-P93 VanDerWaalsContact O-CB 3.3Å; L31-P93 WeakPolarHBondContact O-CB 3.45Å; L31-F97 HydrophobicContact CD1-CZ 4.39Å; L31-F97 HydrophobicContact CD2-CE1 3.68Å; L31-F97 HydrophobicContact CD2-CZ 3.81Å; L31-F97 HydrophobicContact CG-CE1 4.18Å; L31-F97 HydrophobicContact CG-CZ 3.85Å; L31-Y236 HydrophobicContact CD1-CE2 4.01Å
32K92.2Very high88.4Confident170 Ų17044.9 Ų44.974%0.73922%0.219SC*.Hα-helixtrans-85.1-33179.8-174.6179.7179.5-175.50113.1S28 F29 V30S28-K32 WeakPolarHBondContact O-CB 3.39Å; S28-K32 PolarHBondContact O-N 3.13Å; F29-K32 PolarHBondContact O-N 2.63Å; V30-K32 PolarHBondContact O-N 2.96Å
33H93.2Very high88.7Confident56 Ų5643.3 Ų43.326%0.25921%0.209SC..Hα-helixtrans-108.8-25-168.4-74.7-89.5000114.7F29 V30 D126F29-H33 AromaticContact CD2-CD2 3.54Å; F29-H33 AromaticContact CD2-NE2 3.93Å; F29-H33 AromaticContact CE2-CD2 3.39Å; F29-H33 WeakPolarHBondContact CE2-CD2 3.28Å; F29-H33 AromaticContact CE2-CG 3.9Å; F29-H33 AromaticContact CE2-NE2 3.64Å; F29-H33 HydrophobicContact CZ-CB 4.39Å; F29-H33 PolarHBondContact O-CD2 3.47Å; F29-H33 PolarHBondContact O-N 3.39Å; F29-H33 VanDerWaalsContact O-N 3.13Å; V30-H33 PolarHBondContact O-N 2.78Å; H33-D126 HydrophobicContact CB-CB 4.16Å; H33-D126 IonicContact CE1-OD1 3.29Å; H33-D126 IonicContact CG-OD2 2.9Å; H33-D126 IonicContact ND1-OD1 2.75Å; H33-D126 PolarHBondContact ND1-OD1 3.05Å; H33-D126 IonicContact ND1-OD2 3.15Å; H33-D126 PolarHBondContact ND1-OD2 3.4Å
34F95.1Very high88.8Confident0 Ų042.1 Ų42.10%021%0.212CC..  trans-113.3142-175.8-59.4-59.5000112.4F29 V30 P93 S94 V116 I118 D122 D126 V127 L130F29-F34 HydrophobicContact CD1-CE2 4.48Å; F29-F34 AromaticContact CE1-CE2 3.99Å; F29-F34 HydrophobicContact CE1-CE2 3.99Å; F29-F34 HydrophobicContact CE1-CZ 4.38Å; V30-F34 HydrophobicContact CB-CD2 4.26Å; V30-F34 HydrophobicContact CG1-CD2 4.05Å; V30-F34 HydrophobicContact CG2-CD2 4.23Å; V30-F34 HydrophobicContact CG2-CE2 4.43Å; V30-F34 PolarHBondContact O-N 3Å; F34-P93 WeakPolarHBondContact O-CA 3.11Å; F34-S94 PolarHBondContact O-N 3.29Å; F34-V116 HydrophobicContact CD2-CG2 4.09Å; F34-V116 HydrophobicContact CG-CG2 4.47Å; F34-I118 HydrophobicContact CB-CG2 4.17Å; F34-I118 HydrophobicContact CD1-CB 4.29Å; F34-I118 HydrophobicContact CD1-CG2 3.52Å; F34-I118 HydrophobicContact CE1-CG2 4.05Å; F34-I118 HydrophobicContact CG-CG2 3.82Å; F34-D122 HydrophobicContact CD1-CB 4.22Å; F34-D126 HydrophobicContact CE1-CB 3.97Å; F34-D126 HydrophobicContact CZ-CB 4.06Å; F34-V127 HydrophobicContact CE1-CG2 3.58Å; F34-V127 HydrophobicContact CZ-CG2 4.05Å; F34-L130 HydrophobicContact CE2-CB 4.3Å; F34-L130 HydrophobicContact CE2-CD1 4.42Å; F34-L130 HydrophobicContact CE2-CD2 3.99Å; F34-L130 HydrophobicContact CE2-CG 4.48Å; F34-L130 HydrophobicContact CZ-CB 4.27Å; F34-L130 HydrophobicContact CZ-CD2 4.32Å
35T94.1Very high88.6Confident38 Ų3838.9 Ų38.923%0.23320%0.197CC..EExtended strand (participates in β ladder)trans-125.5170.6-176.567.20000111.5V90 G92 I118 S119 D122T35-V90 VanDerWaalsContact CB-CG1 3.47Å; T35-V90 HydrophobicContact CG2-CG1 4.01Å; T35-V90 WeakPolarHBondContact OG1-CG1 3.43Å; T35-G92 VanDerWaalsContact CA-O 3.31Å; T35-G92 WeakPolarHBondContact CA-O 3.43Å; T35-G92 WeakPolarHBondContact CB-O 3.45Å; T35-I118 CarbonylContact O-C 3.6Å; T35-S119 PolarHBondContact O-N 3.47Å; T35-S119 WeakPolarHBondContact OG1-CB 3.49Å; T35-D122 PolarHBondContact N-OD1 2.91Å; T35-D122 PolarHBondContact N-OD2 2.98Å; T35-D122 PolarHBondContact OG1-OD1 2.76Å
36F92.4Very high88.1Confident15 Ų1539.2 Ų39.27%0.06621%0.208CC..EExtended strand (participates in β ladder)trans-129.5153172.474.4-82.2000112.3E38 V90 V91 G92 P93 N95F36-E38 HydrophobicContact CD2-CG 3.87Å; F36-E38 HydrophobicContact CE2-CG 3.72Å; F36-V90 WeakPolarHBondContact O-CA 3.23Å; F36-V91 HydrophobicContact CD2-CB 4.37Å; F36-V91 HydrophobicContact CE1-CB 4.35Å; F36-V91 HydrophobicContact CE1-CG1 4.47Å; F36-V91 HydrophobicContact CE2-CB 3.72Å; F36-V91 HydrophobicContact CE2-CG1 4.01Å; F36-V91 HydrophobicContact CE2-CG2 4.14Å; F36-V91 HydrophobicContact CZ-CB 3.71Å; F36-V91 HydrophobicContact CZ-CG1 3.66Å; F36-V91 PolarHBondContact O-N 3.26Å; F36-G92 WeakPolarHBondContact CD1-O 3.37Å; F36-G92 PolarHBondContact N-O 2.85Å; F36-G92 VanDerWaalsContact N-O 3.12Å; F36-P93 WeakPolarHBondContact CD1-O 3.49Å; F36-P93 WeakPolarHBondContact CE1-O 3.49Å; F36-N95 HydrophobicContact CD1-CB 4.48Å; F36-N95 HydrophobicContact CE1-CB 4.31Å
37K90.6Very high87.5Confident11 Ų1145.2 Ų45.25%0.04824%0.236CC..EExtended strand (participates in β ladder)trans-112.9138.9-179-80-173.2-178.9175.10111.8K89 V90 S119 D120 E121 D270 R274K37-K89 WeakPolarHBondContact CA-O 3.4Å; K37-V90 HydrophobicContact CD-CG2 4.2Å; K37-V90 HydrophobicContact CG-CB 4.35Å; K37-V90 HydrophobicContact CG-CG2 3.63Å; K37-S119 WeakPolarHBondContact CD-OG 3.39Å; K37-S119 WeakPolarHBondContact CE-OG 3.45Å; K37-S119 WeakPolarHBondContact CG-OG 3.41Å; K37-D120 WeakPolarHBondContact CD-OD1 3.33Å; K37-D120 WeakPolarHBondContact CE-OD1 3.49Å; K37-D120 VanDerWaalsContact NZ-CG 3.26Å; K37-D120 IonicContact NZ-OD1 2.69Å; K37-D120 PolarHBondContact NZ-OD1 2.88Å; K37-D120 IonicContact NZ-OD2 2.88Å; K37-D120 PolarHBondContact NZ-OD2 3.36Å; K37-D120 VanDerWaalsContact NZ-OD2 3.1Å; K37-E121 VanDerWaalsContact CE-OE1 3.27Å; K37-E121 WeakPolarHBondContact CE-OE1 3.46Å; K37-E121 VanDerWaalsContact NZ-CG 3.32Å; K37-E121 IonicContact NZ-OE1 2.79Å; K37-E121 PolarHBondContact NZ-OE1 2.91Å; K37-E121 IonicContact NZ-OE2 2.8Å; K37-D270 PolarHBondContact N-OD2 3.29Å; K37-D270 VanDerWaalsContact N-OD2 3.13Å; K37-R274 PolarHBondContact O-NH2 3.12Å
38E89.5Confident86.7Confident25 Ų2550.8 Ų50.812%0.11726%0.258CS..EExtended strand (participates in β ladder)trans-135.1158.3172.4-67.5-68.4163.800110.8F36 I40 Y68 K89 V91 R117 R274F36-E38 HydrophobicContact CD2-CG 3.87Å; F36-E38 HydrophobicContact CE2-CG 3.72Å; E38-I40 PolarHBondContact O-N 3.28Å; E38-Y68 HydrophobicContact CB-CD1 3.82Å; E38-Y68 HydrophobicContact CB-CD2 4.48Å; E38-Y68 HydrophobicContact CB-CG 3.78Å; E38-Y68 HydrophobicContact CG-CD1 4.22Å; E38-Y68 HydrophobicContact CG-CD2 4.02Å; E38-Y68 HydrophobicContact CG-CG 3.81Å; E38-K89 PolarHBondContact N-O 3.48Å; E38-K89 VanDerWaalsContact N-O 3.08Å; E38-K89 PolarHBondContact O-N 3.24Å; E38-V91 HydrophobicContact CB-CG2 3.75Å; E38-V91 HydrophobicContact CG-CG2 4.1Å; E38-R117 IonicContact OE1-CZ 3.81Å; E38-R117 IonicContact OE1-NH1 3.33Å; E38-R117 IonicContact OE1-NH2 3.57Å; E38-R117 PolarHBondContact OE1-NH2 3.38Å; E38-R274 IonicContact OE1-NH2 2.76Å; E38-R274 PolarHBondContact OE1-NH2 3.44Å; E38-R274 IonicContact OE2-CZ 2.76Å; E38-R274 IonicContact OE2-NE 3.73Å; E38-R274 IonicContact OE2-NH2 3.58Å; E38-R274 PolarHBondContact OE2-NH2 3.43Å
39C89.1Confident85.6Confident2 Ų250 Ų501%0.01426%0.255CS..EExtended strand (participates in β ladder)trans-78.9112.7164.4-170.70000108.4K41 C60 H67 C87 L88C39-K41 PolarHBondContact SG-O 3.23Å; C39-C60 HydrophobicContact CB-CB 3.56Å; C39-C60 VanDerWaalsContact CB-SG 3.57Å; C39-H67 PolarHBondContact O-CE1 3.16Å; C39-H67 PolarHBondContact O-NE2 2.82Å; C39-H67 PolarHBondContact SG-NE2 2.8Å; C39-H67 VanDerWaalsContact SG-NE2 3.41Å; C39-C87 CarbonylContact C-O 3.53Å; C39-C87 VanDerWaalsContact CA-O 3.28Å; C39-C87 WeakPolarHBondContact CA-O 3.17Å; C39-L88 HydrophobicContact CB-CD2 3.91Å
40I86.1Confident84.4Confident55 Ų5553.5 Ų53.528%0.28228%0.278SS..  trans-86.7-15.8-176.257.8160.7000113.4E38 Y68 C87 K89 V91E38-I40 PolarHBondContact O-N 3.28Å; I40-Y68 HydrophobicContact CG2-CD1 4.25Å; I40-Y68 HydrophobicContact CG2-CE1 4.44Å; I40-C87 WeakPolarHBondContact CG1-O 3.44Å; I40-C87 PolarHBondContact N-O 3.07Å; I40-K89 HydrophobicContact CD1-CB 4.49Å; I40-K89 HydrophobicContact CD1-CD 3.71Å; I40-K89 HydrophobicContact CD1-CG 4.07Å; I40-K89 HydrophobicContact CG1-CG 4.42Å; I40-K89 HydrophobicContact CG2-CB 4.49Å; I40-V91 HydrophobicContact CG2-CG2 4.3Å
41K83.4Confident83.2Confident68 Ų6863.3 Ų63.330%0.29632%0.323SS..SBendtrans-124.1120-176.9-169.3-179.4-178.7-173.90110.6C39 V43 H67C39-K41 PolarHBondContact SG-O 3.23Å; K41-V43 HydrophobicContact CD-CG2 4.44Å; K41-V43 HydrophobicContact CG-CG2 4.32Å; K41-V43 PolarHBondContact O-N 3.22Å; K41-H67 VanDerWaalsContact C-CE1 3.44Å; K41-H67 PolarHBondContact O-NE2 3.19Å
42F82.9Confident81.8Confident40 Ų4066.5 Ų66.518%0.17535%0.345CS..  trans-75.7115.6175.8-176.9-89.9000110A44 C58 R64 H67 F69F42-A44 HydrophobicContact CE1-CB 4.01Å; F42-A44 HydrophobicContact CZ-CB 4.44Å; F42-C58 HydrophobicContact CD2-CB 3.71Å; F42-C58 HydrophobicContact CE2-CB 3.75Å; F42-C58 HydrophobicContact CG-CB 4.5Å; F42-R64 HydrophobicContact CD2-CB 4.2Å; F42-R64 HydrophobicContact CD2-CG 4.15Å; F42-R64 HydrophobicContact CE1-CG 4.33Å; F42-R64 HydrophobicContact CE2-CB 3.52Å; F42-R64 HydrophobicContact CE2-CG 3.85Å; F42-R64 HydrophobicContact CZ-CB 3.76Å; F42-R64 HydrophobicContact CZ-CG 3.96Å; F42-H67 HydrophobicContact CD2-CB 4.11Å; F42-H67 AromaticContact CD2-CD2 3.71Å; F42-H67 AromaticContact CD2-CG 3.86Å; F42-H67 PolarHBondContact N-CE1 3.09Å; F42-F69 HydrophobicContact CB-CE1 4.22Å; F42-F69 HydrophobicContact CB-CZ 4.23Å
43V84.3Confident80.6Confident20 Ų2065.1 Ų65.112%0.12134%0.34CS..  trans-124.1114.7170.4-172.20000108.1K41 D45 C58 F59 W82K41-V43 HydrophobicContact CD-CG2 4.44Å; K41-V43 HydrophobicContact CG-CG2 4.32Å; K41-V43 PolarHBondContact O-N 3.22Å; V43-D45 PolarHBondContact O-N 2.87Å; V43-C58 PolarHBondContact N-SG 3.25Å; V43-C58 CarbonylContact O-C 3.49Å; V43-C58 WeakPolarHBondContact O-CA 3.35Å; V43-C58 PolarHBondContact O-SG 2.95Å; V43-F59 HydrophobicContact CB-CD2 4.13Å; V43-F59 HydrophobicContact CG1-CD2 3.82Å; V43-F59 HydrophobicContact CG1-CE2 4.02Å; V43-F59 PolarHBondContact O-N 3.34Å; V43-W82 HydrophobicContact CB-CB 4.14Å; V43-W82 HydrophobicContact CB-CG 4.4Å; V43-W82 HydrophobicContact CG1-CB 4.03Å; V43-W82 HydrophobicContact CG2-CB 4.4Å
44A81.7Confident79.3Confident42 Ų4267.2 Ų67.235%0.34736%0.358SS..BIsolated β-bridgetrans-63129.6-17600000111.4F42 P46 R57 F59F42-A44 HydrophobicContact CE1-CB 4.01Å; F42-A44 HydrophobicContact CZ-CB 4.44Å; A44-P46 WeakPolarHBondContact O-CD 3.48Å; A44-R57 CarbonylContact C-O 3.43Å; A44-R57 WeakPolarHBondContact CA-O 3.38Å; A44-F59 WeakPolarHBondContact O-CE2 3.39Å
45D80.7Confident78.3Confident16 Ų1667.5 Ų67.59%0.08636%0.36CS..  trans-81.2114.7177.2-174-17.3000109.8V43 Q47 Y48 S55 R57 F59V43-D45 PolarHBondContact O-N 2.87Å; D45-Q47 PolarHBondContact O-N 3.19Å; D45-Q47 VanDerWaalsContact O-N 3.15Å; D45-Q47 WeakPolarHBondContact OD1-CB 3.29Å; D45-Q47 PolarHBondContact OD1-N 3.34Å; D45-Y48 HydrophobicContact CB-CD2 4.24Å; D45-Y48 PolarHBondContact O-N 2.79Å; D45-S55 WeakPolarHBondContact O-CB 3.3Å; D45-S55 PolarHBondContact O-OG 2.67Å; D45-R57 PolarHBondContact N-O 3.46Å; D45-F59 HydrophobicContact CB-CD1 4.26Å; D45-F59 HydrophobicContact CB-CD2 4.41Å; D45-F59 HydrophobicContact CB-CG 4.21Å
46P75.9Confident77.8Confident90 Ų9070.4 Ų70.458%0.58437%0.374SS*.G310 helixtrans-63.9-18.7-177.525.6-31.9000113.3A44 Y48 A49 F59A44-P46 WeakPolarHBondContact O-CD 3.48Å; P46-Y48 PolarHBondContact O-N 3.23Å; P46-A49 PolarHBondContact O-N 3.19Å; P46-F59 HydrophobicContact CG-CZ 4.07Å
47Q75.9Confident77.4Confident157 Ų15772.3 Ų72.373%0.73438%0.381SS*.G310 helixtrans-63-22.9177.4-68.9-173.67.400113.6D45D45-Q47 PolarHBondContact O-N 3.19Å; D45-Q47 VanDerWaalsContact O-N 3.15Å; D45-Q47 WeakPolarHBondContact OD1-CB 3.29Å; D45-Q47 PolarHBondContact OD1-N 3.34Å
48Y70.7Confident77.2Confident123 Ų12371.8 Ų71.848%0.48238%0.379SS..G310 helixtrans-111.59.3-179.2-59.6-75.4000112.8D45 P46 R57D45-Y48 HydrophobicContact CB-CD2 4.24Å; D45-Y48 PolarHBondContact O-N 2.79Å; P46-Y48 PolarHBondContact O-N 3.23Å; Y48-R57 HydrophobicContact CD2-CB 4.34Å; Y48-R57 VanDerWaalsContact CE1-NH1 3.32Å
49A65.6Low77Confident48 Ų4873.7 Ų73.740%0.39739%0.387SS..  trans-77.1137.8172.800000109.6P46P46-A49 PolarHBondContact O-N 3.19Å
50T68.7Low76.9Confident87 Ų8773.7 Ų73.753%0.53439%0.387SS..BIsolated β-bridgetrans-101.9161.2168.259.50000109.2T52 K53T50-T52 PolarHBondContact O-N 3.37Å; T50-K53 PolarHBondContact N-O 3.33Å; T50-K53 PolarHBondContact O-N 2.95Å; T50-K53 PolarHBondContact OG1-N 3.04Å
51E63.8Low76.8Confident207 Ų20771.8 Ų71.897%0.96738%0.381SS*.THydrogen-bonded Turntrans-55.1-22.2179.4-67.6-178.7170.700113.6
52T62.6Low76.9Confident126 Ų12669.3 Ų69.377%0.77337%0.37SS*.THydrogen-bonded Turntrans-109.4-9.2-175.8540000114.7T50T50-T52 PolarHBondContact O-N 3.37Å
53K65.6Low77Confident142 Ų14271.8 Ų71.862%0.61738%0.379SS*.BIsolated β-bridgetrans-145.1134.2-179.2-68.5-173.6178.8-179.80112.5T50T50-K53 PolarHBondContact N-O 3.33Å; T50-K53 PolarHBondContact O-N 2.95Å; T50-K53 PolarHBondContact OG1-N 3.04Å
54P65.7Low76.9Confident100 Ų10075.9 Ų75.965%0.64939%0.393SS*.  trans-60.6148.6170.527.5-33000109.9D56P54-D56 PolarHBondContact O-N 3.3Å
55S75.1Confident76.9Confident5 Ų581 Ų814%0.03541%0.413CS..  trans-60.4123179.8176.90000111.1D45 R57D45-S55 WeakPolarHBondContact O-CB 3.3Å; D45-S55 PolarHBondContact O-OG 2.67Å; S55-R57 PolarHBondContact O-N 3.45Å; S55-R57 PolarHBondContact OG-N 3.15Å; S55-R57 PolarHBondContact OG-O 3.42Å
56D82.8Confident76.9Confident99 Ų9987.3 Ų87.353%0.52944%0.436SS..SBendtrans-77.80.7173.3-77.9-30000112.6P54 Y63 R64P54-D56 PolarHBondContact O-N 3.3Å; D56-Y63 CarbonylContact O-C 3.6Å; D56-Y63 WeakPolarHBondContact O-CA 3.38Å; D56-R64 PolarHBondContact O-N 3.14Å
57R84.5Confident77.3Confident55 Ų5583.5 Ų83.521%0.20841%0.411CS..BIsolated β-bridgetrans-107.8134178.7-72.6-178.1175.1-177.1-2.5110.5A44 D45 Y48 S55 Y63A44-R57 CarbonylContact C-O 3.43Å; A44-R57 WeakPolarHBondContact CA-O 3.38Å; D45-R57 PolarHBondContact N-O 3.46Å; Y48-R57 HydrophobicContact CD2-CB 4.34Å; Y48-R57 VanDerWaalsContact CE1-NH1 3.32Å; S55-R57 PolarHBondContact O-N 3.45Å; S55-R57 PolarHBondContact OG-N 3.15Å; S55-R57 PolarHBondContact OG-O 3.42Å; R57-Y63 HydrophobicContact CG-CD1 3.78Å; R57-Y63 HydrophobicContact CG-CE1 3.79Å; R57-Y63 HydrophobicContact CG-CG 4.38Å; R57-Y63 VanDerWaalsContact NE-CZ 3.32Å; R57-Y63 PolarHBondContact NE-OH 3.22Å; R57-Y63 PolarHBondContact NH2-OH 3.15Å
58C87Confident77.5Confident1 Ų179.4 Ų79.41%0.00739%0.389CS..BIsolated β-bridgetrans-76.8156.6169.2-177.80000110.5F42 V43 C60 G61 E62F42-C58 HydrophobicContact CD2-CB 3.71Å; F42-C58 HydrophobicContact CE2-CB 3.75Å; F42-C58 HydrophobicContact CG-CB 4.5Å; V43-C58 PolarHBondContact N-SG 3.25Å; V43-C58 CarbonylContact O-C 3.49Å; V43-C58 WeakPolarHBondContact O-CA 3.35Å; V43-C58 PolarHBondContact O-SG 2.95Å; C58-C60 VanDerWaalsContact CB-SG 3.57Å; C58-C60 PolarHBondContact O-N 3.39Å; C58-C60 VanDerWaalsContact O-N 3.12Å; C58-C60 VanDerWaalsContact SG-SG 3.62Å; C58-G61 WeakPolarHBondContact O-CA 2.94Å; C58-G61 PolarHBondContact O-N 3.41Å; C58-E62 PolarHBondContact N-O 3.04Å
59F85.6Confident77.6Confident64 Ų6477.9 Ų77.928%0.28139%0.385SS..THydrogen-bonded Turntrans-52.8-26.1168.1-86-78.6000114.2V43 A44 D45 P46 G61 W82V43-F59 HydrophobicContact CB-CD2 4.13Å; V43-F59 HydrophobicContact CG1-CD2 3.82Å; V43-F59 HydrophobicContact CG1-CE2 4.02Å; V43-F59 PolarHBondContact O-N 3.34Å; A44-F59 WeakPolarHBondContact O-CE2 3.39Å; D45-F59 HydrophobicContact CB-CD1 4.26Å; D45-F59 HydrophobicContact CB-CD2 4.41Å; D45-F59 HydrophobicContact CB-CG 4.21Å; P46-F59 HydrophobicContact CG-CZ 4.07Å; F59-G61 PolarHBondContact O-N 3.17Å; F59-W82 HydrophobicContact CB-CB 4Å; F59-W82 HydrophobicContact CB-CD2 3.51Å; F59-W82 HydrophobicContact CB-CE3 4.16Å; F59-W82 HydrophobicContact CB-CG 3.42Å; F59-W82 VanDerWaalsContact CB-CG 3.42Å; F59-W82 HydrophobicContact CB-CZ2 4.39Å; F59-W82 HydrophobicContact CD2-CB 3.51Å; F59-W82 AromaticContact CD2-CG 3.91Å; F59-W82 HydrophobicContact CD2-CG 3.91Å; F59-W82 HydrophobicContact CE2-CB 4.05Å; F59-W82 HydrophobicContact CG-CB 3.79Å; F59-W82 HydrophobicContact CG-CD2 4.11Å; F59-W82 AromaticContact CG-CG 3.79Å; F59-W82 HydrophobicContact CG-CG 3.79Å
60C85.4Confident77.4Confident2 Ų281.9 Ų81.91%0.01440%0.395CS..THydrogen-bonded Turntrans-68.1-14.8172.372.40000113C39 C58 E62 L88 K273 R274C39-C60 HydrophobicContact CB-CB 3.56Å; C39-C60 VanDerWaalsContact CB-SG 3.57Å; C58-C60 VanDerWaalsContact CB-SG 3.57Å; C58-C60 PolarHBondContact O-N 3.39Å; C58-C60 VanDerWaalsContact O-N 3.12Å; C58-C60 VanDerWaalsContact SG-SG 3.62Å; C60-E62 PolarHBondContact SG-N 3.04Å; C60-L88 HydrophobicContact CB-CD2 4.38Å; C60-K273 CarbonylContact O-C 3.58Å; C60-K273 WeakPolarHBondContact O-CA 3.39Å; C60-R274 PolarHBondContact O-N 3.46Å
61G84.7Confident76.6Confident16 Ų1680.7 Ų80.717%0.16540%0.4CS..SBendtrans97.4-7.8-178.900000114.4C58 F59 L275C58-G61 WeakPolarHBondContact O-CA 2.94Å; C58-G61 PolarHBondContact O-N 3.41Å; F59-G61 PolarHBondContact O-N 3.17Å; G61-L275 WeakPolarHBondContact O-CD1 3.44Å
62E85.4Confident75.6Confident15 Ų1580.3 Ų80.37%0.0740%0.398CS..  trans-82.3145.1-179.8-162.254.2-83.600112C58 C60 R228 R274C58-E62 PolarHBondContact N-O 3.04Å; C60-E62 PolarHBondContact SG-N 3.04Å; E62-R228 IonicContact OE1-NH2 3.19Å; E62-R228 IonicContact OE2-CZ 3.88Å; E62-R228 IonicContact OE2-NH2 3.81Å; E62-R228 PolarHBondContact OE2-NH2 3.18Å; E62-R274 HydrophobicContact CB-CB 4.38Å; E62-R274 HydrophobicContact CB-CG 3.86Å; E62-R274 HydrophobicContact CG-CG 4.33Å; E62-R274 WeakPolarHBondContact OE2-CG 3.44Å; E62-R274 IonicContact OE2-NE 3.22Å
63Y84.7Confident74.6Confident92 Ų9280.7 Ų80.736%0.36140%0.395SS..BIsolated β-bridgetrans-72.9147.4172.5-70.8-86.6000111.1D56 R57 I65 Y66 H67 L275D56-Y63 CarbonylContact O-C 3.6Å; D56-Y63 WeakPolarHBondContact O-CA 3.38Å; R57-Y63 HydrophobicContact CG-CD1 3.78Å; R57-Y63 HydrophobicContact CG-CE1 3.79Å; R57-Y63 HydrophobicContact CG-CG 4.38Å; R57-Y63 VanDerWaalsContact NE-CZ 3.32Å; R57-Y63 PolarHBondContact NE-OH 3.22Å; R57-Y63 PolarHBondContact NH2-OH 3.15Å; Y63-I65 PolarHBondContact O-N 3.06Å; Y63-Y66 CarbonylContact O-C 3.51Å; Y63-Y66 PolarHBondContact O-N 3.41Å; Y63-H67 PolarHBondContact O-N 3.35Å; Y63-L275 HydrophobicContact CE2-CD1 4.28Å
64R82.8Confident73.9Confident107 Ų10784.6 Ų84.640%0.40441%0.406SS..THydrogen-bonded Turntrans-52.3-34.5-179.9-169170.9179.9155.9-2113.4F42 D56F42-R64 HydrophobicContact CD2-CB 4.2Å; F42-R64 HydrophobicContact CD2-CG 4.15Å; F42-R64 HydrophobicContact CE1-CG 4.33Å; F42-R64 HydrophobicContact CE2-CB 3.52Å; F42-R64 HydrophobicContact CE2-CG 3.85Å; F42-R64 HydrophobicContact CZ-CB 3.76Å; F42-R64 HydrophobicContact CZ-CG 3.96Å; D56-R64 PolarHBondContact O-N 3.14Å
65I82.1Confident72.7Confident150 Ų15084.1 Ų84.177%0.76941%0.405SS*.THydrogen-bonded Turntrans-68.2-34.5178.9-59.3170.9000111.9Y63Y63-I65 PolarHBondContact O-N 3.06Å
66Y80.2Confident71.2Confident148 Ų14891.2 Ų91.258%0.5844%0.438SS*.THydrogen-bonded Turntrans-103.51.3-177.3-58.7-60.6000113.1Y63Y63-Y66 CarbonylContact O-C 3.51Å; Y63-Y66 PolarHBondContact O-N 3.41Å
67H84.4Confident69.4Low10 Ų1092.8 Ų92.85%0.04645%0.451CS..  trans-68.2138.6-178.9-169.8-79.7000110.8C39 K41 F42 Y63 F69C39-H67 PolarHBondContact O-CE1 3.16Å; C39-H67 PolarHBondContact O-NE2 2.82Å; C39-H67 PolarHBondContact SG-NE2 2.8Å; C39-H67 VanDerWaalsContact SG-NE2 3.41Å; K41-H67 VanDerWaalsContact C-CE1 3.44Å; K41-H67 PolarHBondContact O-NE2 3.19Å; F42-H67 HydrophobicContact CD2-CB 4.11Å; F42-H67 AromaticContact CD2-CD2 3.71Å; F42-H67 AromaticContact CD2-CG 3.86Å; F42-H67 PolarHBondContact N-CE1 3.09Å; Y63-H67 PolarHBondContact O-N 3.35Å; H67-F69 HydrophobicContact CB-CE2 3.94Å; H67-F69 HydrophobicContact CB-CZ 4.24Å; H67-F69 WeakPolarHBondContact O-CD2 3.43Å; H67-F69 WeakPolarHBondContact O-CE2 3.22Å; H67-F69 PolarHBondContact O-N 3.34Å
68Y79.7Confident67.6Low71 Ų7194.8 Ų94.828%0.27847%0.466SS..  trans-71.5129.1178.4-173.7-97.9000110.7E38 I40 H70 V91E38-Y68 HydrophobicContact CB-CD1 3.82Å; E38-Y68 HydrophobicContact CB-CD2 4.48Å; E38-Y68 HydrophobicContact CB-CG 3.78Å; E38-Y68 HydrophobicContact CG-CD1 4.22Å; E38-Y68 HydrophobicContact CG-CD2 4.02Å; E38-Y68 HydrophobicContact CG-CG 3.81Å; I40-Y68 HydrophobicContact CG2-CD1 4.25Å; I40-Y68 HydrophobicContact CG2-CE1 4.44Å; Y68-H70 HydrophobicContact CE1-CB 3.86Å; Y68-H70 AromaticContact CE1-ND1 3.85Å; Y68-H70 AromaticContact CZ-ND1 3.95Å; Y68-H70 PolarHBondContact OH-ND1 3.39Å; Y68-H70 VanDerWaalsContact OH-ND1 3.17Å; Y68-V91 HydrophobicContact CD1-CG2 4.33Å; Y68-V91 HydrophobicContact CE1-CG1 3.82Å; Y68-V91 HydrophobicContact CE1-CG2 3.88Å; Y68-V91 WeakPolarHBondContact OH-CG1 3.46Å
69F73.5Confident66Low90 Ų90103.5 Ų103.540%0.39551%0.513SS..  trans-122.6113.7176-69.3-81.7000109.4F42 H67 G71F42-F69 HydrophobicContact CB-CE1 4.22Å; F42-F69 HydrophobicContact CB-CZ 4.23Å; H67-F69 HydrophobicContact CB-CE2 3.94Å; H67-F69 HydrophobicContact CB-CZ 4.24Å; H67-F69 WeakPolarHBondContact O-CD2 3.43Å; H67-F69 WeakPolarHBondContact O-CE2 3.22Å; H67-F69 PolarHBondContact O-N 3.34Å; F69-G71 PolarHBondContact O-N 3.17Å
70H60.7Low64.6Low133 Ų133106 Ų10662%0.61652%0.523SS*.  trans-87.3105.5179.9-16169.5000110.4Y68Y68-H70 HydrophobicContact CE1-CB 3.86Å; Y68-H70 AromaticContact CE1-ND1 3.85Å; Y68-H70 AromaticContact CZ-ND1 3.95Å; Y68-H70 PolarHBondContact OH-ND1 3.39Å; Y68-H70 VanDerWaalsContact OH-ND1 3.17Å
71G51.3Low63.8Low61 Ų61114.8 Ų114.863%0.62956%0.564SS**SBendtrans69.7108174.700000114.4F69 N73F69-G71 PolarHBondContact O-N 3.17Å; G71-N73 VanDerWaalsContact C-N 3.26Å; G71-N73 PolarHBondContact O-N 2.85Å
72Q43Very low63.6Low199 Ų199116.3 Ų116.393%0.9357%0.565SS**SBendtrans15.8-3.6169.4-81.1-175-11.100125.2R74Q72-R74 PolarHBondContact O-N 3.37Å; Q72-R74 VanDerWaalsContact O-N 3.11Å
73N41.8Very low63.4Low134 Ų134117.2 Ų117.272%0.71757%0.573SS**  trans-87.885.4175.7-77.1-8.5000110.8G71 S75G71-N73 VanDerWaalsContact C-N 3.26Å; G71-N73 PolarHBondContact O-N 2.85Å; N73-S75 PolarHBondContact O-N 3.39Å
74R51Low63.2Low224 Ų224117.7 Ų117.785%0.84558%0.579SS**  trans-72.614.6159.4-81.2-174.7174178.3-0.7112.6Q72 E76Q72-R74 PolarHBondContact O-N 3.37Å; Q72-R74 VanDerWaalsContact O-N 3.11Å; R74-E76 PolarHBondContact O-N 3.45Å; R74-E76 VanDerWaalsContact O-N 3.13Å
75S42Very low63Low91 Ų91117.3 Ų117.364%0.63659%0.593SS**  trans-63.7118.6-177.154.10000110.1N73N73-S75 PolarHBondContact O-N 3.39Å
76E43Very low63Low154 Ų154115.7 Ų115.772%0.7258%0.582SS**  trans-49.6152.9163.9-66.6174.4145.800110.2R74R74-E76 PolarHBondContact O-N 3.45Å; R74-E76 VanDerWaalsContact O-N 3.13Å
77T45.2Very low63.1Low132 Ų132108.7 Ų108.781%0.8156%0.555SS**  trans90.6110.9172.672.90000117
78D46.6Very low63.3Low97 Ų97109.4 Ų109.452%0.51956%0.559SS.*  -166.5125.2105.7-109-4.3000109.9K80D78-K80 HydrophobicContact CB-CD 4.49Å; D78-K80 HydrophobicContact CB-CG 4.38Å; D78-K80 PolarHBondContact O-N 2.79Å; D78-K80 IonicContact OD2-NZ 3.68Å
79N52.2Low63.7Low184 Ų184111 Ų11198%0.98457%0.567SS**  trans-63.467.4171.5-81-20.7000111.2
80K57.1Low64.4Low116 Ų116109.5 Ų109.550%0.50457%0.565SS.*  trans-110.7135.9173.1-71.5-179.9179.6170.10109.4D78D78-K80 HydrophobicContact CB-CD 4.49Å; D78-K80 HydrophobicContact CB-CG 4.38Å; D78-K80 PolarHBondContact O-N 2.79Å; D78-K80 IonicContact OD2-NZ 3.68Å
81E69Low65.6Low186 Ų186105 Ų10587%0.86955%0.546SS*.  trans-55.1136.6175-70-176158.900110.2S83E81-S83 PolarHBondContact O-N 3.14Å
82W79.6Confident67.3Low48 Ų48103 Ų10318%0.18253%0.526CS..  trans-70.2122.7178.3-176.589.1000109.7V43 F59 E84 L88V43-W82 HydrophobicContact CB-CB 4.14Å; V43-W82 HydrophobicContact CB-CG 4.4Å; V43-W82 HydrophobicContact CG1-CB 4.03Å; V43-W82 HydrophobicContact CG2-CB 4.4Å; F59-W82 HydrophobicContact CB-CB 4Å; F59-W82 HydrophobicContact CB-CD2 3.51Å; F59-W82 HydrophobicContact CB-CE3 4.16Å; F59-W82 HydrophobicContact CB-CG 3.42Å; F59-W82 VanDerWaalsContact CB-CG 3.42Å; F59-W82 HydrophobicContact CB-CZ2 4.39Å; F59-W82 HydrophobicContact CD2-CB 3.51Å; F59-W82 AromaticContact CD2-CG 3.91Å; F59-W82 HydrophobicContact CD2-CG 3.91Å; F59-W82 HydrophobicContact CE2-CB 4.05Å; F59-W82 HydrophobicContact CG-CB 3.79Å; F59-W82 HydrophobicContact CG-CD2 4.11Å; F59-W82 AromaticContact CG-CG 3.79Å; F59-W82 HydrophobicContact CG-CG 3.79Å; W82-E84 HydrophobicContact CE3-CG 4.43Å; W82-E84 HydrophobicContact CH2-CB 4.41Å; W82-E84 HydrophobicContact CH2-CG 3.34Å; W82-E84 HydrophobicContact CZ2-CG 4.31Å; W82-E84 HydrophobicContact CZ3-CG 3.39Å; W82-L88 HydrophobicContact CH2-CD1 4.41Å; W82-L88 HydrophobicContact CZ2-CD1 4.27Å; W82-L88 HydrophobicContact CZ2-CD2 4.46Å; W82-L88 HydrophobicContact CZ2-CG 4.29Å
83S82.2Confident69.6Low35 Ų3597 Ų9725%0.24550%0.504CS..  trans-118.6138.1172.571.40000110.5E81 S85 E86 C87E81-S83 PolarHBondContact O-N 3.14Å; S83-S85 VanDerWaalsContact C-N 3.3Å; S83-S85 PolarHBondContact O-N 3.43Å; S83-E86 PolarHBondContact O-N 3.34Å; S83-E86 VanDerWaalsContact OG-CB 3.27Å; S83-E86 WeakPolarHBondContact OG-CB 3.36Å; S83-E86 VanDerWaalsContact OG-CG 3.3Å; S83-E86 WeakPolarHBondContact OG-CG 3.12Å; S83-E86 PolarHBondContact OG-N 2.93Å; S83-C87 WeakPolarHBondContact O-CB 3.19Å; S83-C87 PolarHBondContact O-N 3.25Å; S83-C87 VanDerWaalsContact O-N 3.08Å; S83-C87 PolarHBondContact O-SG 3.24Å
84E79.1Confident72Confident101 Ų10190.6 Ų90.647%0.47247%0.47SS..Hα-helixtrans-59.1-42.1-178.7-75.6-171.8173.200111.8W82 L88 K273W82-E84 HydrophobicContact CE3-CG 4.43Å; W82-E84 HydrophobicContact CH2-CB 4.41Å; W82-E84 HydrophobicContact CH2-CG 3.34Å; W82-E84 HydrophobicContact CZ2-CG 4.31Å; W82-E84 HydrophobicContact CZ3-CG 3.39Å; E84-L88 HydrophobicContact CB-CD1 4.34Å; E84-L88 HydrophobicContact CG-CD1 4.3Å; E84-L88 VanDerWaalsContact O-CB 3.27Å; E84-L88 WeakPolarHBondContact O-CB 3.5Å; E84-L88 PolarHBondContact O-N 2.99Å; E84-K273 VanDerWaalsContact CD-NZ 3.33Å; E84-K273 VanDerWaalsContact OE1-CE 3.26Å; E84-K273 WeakPolarHBondContact OE1-CE 3.11Å; E84-K273 IonicContact OE1-NZ 2.92Å; E84-K273 PolarHBondContact OE1-NZ 3.14Å; E84-K273 IonicContact OE2-NZ 3.3Å
85S80Confident73.9Confident100 Ų10082 Ų8270%0.69944%0.441SS*.Hα-helixtrans-70.2-30.6-176.4500000114.5S83S83-S85 VanDerWaalsContact C-N 3.3Å; S83-S85 PolarHBondContact O-N 3.43Å
86E80.7Confident76.2Confident115 Ų11577.7 Ų77.754%0.53741%0.411SS..Hα-helixtrans-88.4-38.6179-66.1-174.9160.300112.3S83 K89S83-E86 PolarHBondContact O-N 3.34Å; S83-E86 VanDerWaalsContact OG-CB 3.27Å; S83-E86 WeakPolarHBondContact OG-CB 3.36Å; S83-E86 VanDerWaalsContact OG-CG 3.3Å; S83-E86 WeakPolarHBondContact OG-CG 3.12Å; S83-E86 PolarHBondContact OG-N 2.93Å; E86-K89 WeakPolarHBondContact O-CE 3.04Å
87C83.2Confident78.6Confident2 Ų270.7 Ų70.71%0.01438%0.378CS..Hα-helixtrans-83.6-38.7-173.3-66.10000112.7C39 I40 S83C39-C87 CarbonylContact C-O 3.53Å; C39-C87 VanDerWaalsContact CA-O 3.28Å; C39-C87 WeakPolarHBondContact CA-O 3.17Å; I40-C87 WeakPolarHBondContact CG1-O 3.44Å; I40-C87 PolarHBondContact N-O 3.07Å; S83-C87 WeakPolarHBondContact O-CB 3.19Å; S83-C87 PolarHBondContact O-N 3.25Å; S83-C87 VanDerWaalsContact O-N 3.08Å; S83-C87 PolarHBondContact O-SG 3.24Å
88L87.5Confident80.8Confident25 Ų2564.8 Ų64.813%0.13134%0.343CS..EExtended strand (participates in β ladder)trans-94.1113.4-178.7-55.1174.8000109.3C39 C60 W82 E84 G272 K273C39-L88 HydrophobicContact CB-CD2 3.91Å; C60-L88 HydrophobicContact CB-CD2 4.38Å; W82-L88 HydrophobicContact CH2-CD1 4.41Å; W82-L88 HydrophobicContact CZ2-CD1 4.27Å; W82-L88 HydrophobicContact CZ2-CD2 4.46Å; W82-L88 HydrophobicContact CZ2-CG 4.29Å; E84-L88 HydrophobicContact CB-CD1 4.34Å; E84-L88 HydrophobicContact CG-CD1 4.3Å; E84-L88 VanDerWaalsContact O-CB 3.27Å; E84-L88 WeakPolarHBondContact O-CB 3.5Å; E84-L88 PolarHBondContact O-N 2.99Å; L88-G272 WeakPolarHBondContact CD2-O 3.34Å; L88-K273 HydrophobicContact CD1-CG 4.15Å
89K88.1Confident82.9Confident105 Ų10561.9 Ų61.946%0.45733%0.326SS..EExtended strand (participates in β ladder)trans-131.9148.2178.7-64.5-161.3-176-179.60111.7K37 E38 I40 E86 V91K37-K89 WeakPolarHBondContact CA-O 3.4Å; E38-K89 PolarHBondContact N-O 3.48Å; E38-K89 VanDerWaalsContact N-O 3.08Å; E38-K89 PolarHBondContact O-N 3.24Å; I40-K89 HydrophobicContact CD1-CB 4.49Å; I40-K89 HydrophobicContact CD1-CD 3.71Å; I40-K89 HydrophobicContact CD1-CG 4.07Å; I40-K89 HydrophobicContact CG1-CG 4.42Å; I40-K89 HydrophobicContact CG2-CB 4.49Å; E86-K89 WeakPolarHBondContact O-CE 3.04Å; K89-V91 PolarHBondContact O-N 2.92Å
90V88.9Confident84.8Confident57 Ų5753.1 Ų53.135%0.34528%0.28SS..EExtended strand (participates in β ladder)trans-67.1121.7165-179.30000107.5T35 F36 K37T35-V90 VanDerWaalsContact CB-CG1 3.47Å; T35-V90 HydrophobicContact CG2-CG1 4.01Å; T35-V90 WeakPolarHBondContact OG1-CG1 3.43Å; F36-V90 WeakPolarHBondContact O-CA 3.23Å; K37-V90 HydrophobicContact CD-CG2 4.2Å; K37-V90 HydrophobicContact CG-CB 4.35Å; K37-V90 HydrophobicContact CG-CG2 3.63Å
91V85.8Confident86.3Confident38 Ų3852.7 Ų52.723%0.2328%0.279CS..EExtended strand (participates in β ladder)trans-92.1-41.1-172.8175.30000111.6F36 E38 I40 Y68 K89F36-V91 HydrophobicContact CD2-CB 4.37Å; F36-V91 HydrophobicContact CE1-CB 4.35Å; F36-V91 HydrophobicContact CE1-CG1 4.47Å; F36-V91 HydrophobicContact CE2-CB 3.72Å; F36-V91 HydrophobicContact CE2-CG1 4.01Å; F36-V91 HydrophobicContact CE2-CG2 4.14Å; F36-V91 HydrophobicContact CZ-CB 3.71Å; F36-V91 HydrophobicContact CZ-CG1 3.66Å; F36-V91 PolarHBondContact O-N 3.26Å; E38-V91 HydrophobicContact CB-CG2 3.75Å; E38-V91 HydrophobicContact CG-CG2 4.1Å; I40-V91 HydrophobicContact CG2-CG2 4.3Å; Y68-V91 HydrophobicContact CD1-CG2 4.33Å; Y68-V91 HydrophobicContact CE1-CG1 3.82Å; Y68-V91 HydrophobicContact CE1-CG2 3.88Å; Y68-V91 WeakPolarHBondContact OH-CG1 3.46Å; K89-V91 PolarHBondContact O-N 2.92Å
92G88.3Confident87.2Confident20 Ų2045.1 Ų45.121%0.20624%0.244CC..EExtended strand (participates in β ladder)trans177.8-169.4-17300000112.9T35 F36T35-G92 VanDerWaalsContact CA-O 3.31Å; T35-G92 WeakPolarHBondContact CA-O 3.43Å; T35-G92 WeakPolarHBondContact CB-O 3.45Å; F36-G92 WeakPolarHBondContact CD1-O 3.37Å; F36-G92 PolarHBondContact N-O 2.85Å; F36-G92 VanDerWaalsContact N-O 3.12Å
93P90.9Very high87.3Confident72 Ų7247.3 Ų47.347%0.46826%0.258SS..EExtended strand (participates in β ladder)trans-64.4148.717830.1-35.8000110.7L31 F34 F36 N95L31-P93 HydrophobicContact CD2-CB 4.15Å; L31-P93 VanDerWaalsContact O-CB 3.3Å; L31-P93 WeakPolarHBondContact O-CB 3.45Å; F34-P93 WeakPolarHBondContact O-CA 3.11Å; F36-P93 WeakPolarHBondContact CD1-O 3.49Å; F36-P93 WeakPolarHBondContact CE1-O 3.49Å; P93-N95 PolarHBondContact O-N 3.32Å
94S91.4Very high86.7Confident1 Ų147.6 Ų47.61%0.00726%0.259CS..  trans-51.2132.3-177.3-1750000111.6F34 F97 R117F34-S94 PolarHBondContact O-N 3.29Å; S94-F97 VanDerWaalsContact O-CE1 3.22Å; S94-F97 WeakPolarHBondContact O-CE1 3.19Å; S94-R117 VanDerWaalsContact CB-O 3.29Å; S94-R117 WeakPolarHBondContact CB-O 3.5Å; S94-R117 PolarHBondContact OG-O 2.96Å
95N90.5Very high86Confident44 Ų4452.7 Ų52.724%0.23528%0.282CS..  trans-107.11.6-177.964.8-10.7000113.6F36 P93 R117 V232 A233F36-N95 HydrophobicContact CD1-CB 4.48Å; F36-N95 HydrophobicContact CE1-CB 4.31Å; P93-N95 PolarHBondContact O-N 3.32Å; N95-R117 PolarHBondContact OD1-NH1 2.83Å; N95-V232 HydrophobicContact CB-CG1 4.33Å; N95-A233 PolarHBondContact O-N 2.89Å
96A92Very high85Confident0 Ų050.3 Ų50.30%027%0.266CS..  trans-135.594-176.800000109.5F115 R117 W222 L231 V232A96-F115 VanDerWaalsContact C-CE2 3.47Å; A96-F115 HydrophobicContact CB-CE2 4.25Å; A96-R117 HydrophobicContact CB-CB 3.86Å; A96-R117 VanDerWaalsContact O-CB 3.25Å; A96-R117 WeakPolarHBondContact O-CB 3.25Å; A96-R117 PolarHBondContact O-N 2.7Å; A96-W222 HydrophobicContact CB-CH2 3.6Å; A96-W222 HydrophobicContact CB-CZ2 4.13Å; A96-W222 HydrophobicContact CB-CZ3 4.18Å; A96-L231 WeakPolarHBondContact CB-O 3.32Å; A96-V232 HydrophobicContact CB-CG2 4.37Å
97F93.2Very high83.4Confident7 Ų751.1 Ų51.13%0.03128%0.279CS..EExtended strand (participates in β ladder)trans-158.4155.617762.3-89.3000109.8I27 V30 L31 S94 F115 V116 H239I27-F97 HydrophobicContact CB-CE2 4.25Å; I27-F97 HydrophobicContact CG1-CE2 4.09Å; I27-F97 HydrophobicContact CG2-CE2 3.91Å; I27-F97 HydrophobicContact CG2-CZ 4.04Å; V30-F97 HydrophobicContact CB-CD2 4.27Å; V30-F97 HydrophobicContact CB-CE2 4.4Å; V30-F97 HydrophobicContact CB-CG 4.44Å; V30-F97 HydrophobicContact CG1-CB 4Å; V30-F97 HydrophobicContact CG1-CD1 3.62Å; V30-F97 HydrophobicContact CG1-CD2 3.85Å; V30-F97 HydrophobicContact CG1-CE1 4.01Å; V30-F97 HydrophobicContact CG1-CE2 4.21Å; V30-F97 HydrophobicContact CG1-CG 3.53Å; V30-F97 HydrophobicContact CG1-CZ 4.29Å; L31-F97 HydrophobicContact CD1-CZ 4.39Å; L31-F97 HydrophobicContact CD2-CE1 3.68Å; L31-F97 HydrophobicContact CD2-CZ 3.81Å; L31-F97 HydrophobicContact CG-CE1 4.18Å; L31-F97 HydrophobicContact CG-CZ 3.85Å; S94-F97 VanDerWaalsContact O-CE1 3.22Å; S94-F97 WeakPolarHBondContact O-CE1 3.19Å; F97-F115 WeakPolarHBondContact CA-O 3.33Å; F97-V116 HydrophobicContact CB-CB 4.36Å; F97-V116 HydrophobicContact CB-CG2 4.13Å; F97-H239 AromaticContact CD1-CE1 3.73Å; F97-H239 AromaticContact CD2-ND1 3.67Å; F97-H239 AromaticContact CE1-CE1 3.24Å; F97-H239 WeakPolarHBondContact CE1-CE1 3.38Å; F97-H239 AromaticContact CE1-ND1 3.74Å; F97-H239 AromaticContact CE1-NE2 3.64Å; F97-H239 HydrophobicContact CE2-CB 3.99Å; F97-H239 AromaticContact CE2-CE1 3.74Å; F97-H239 AromaticContact CE2-CG 3.54Å; F97-H239 AromaticContact CE2-ND1 3.37Å; F97-H239 WeakPolarHBondContact CE2-ND1 3.37Å; F97-H239 AromaticContact CG-ND1 4Å; F97-H239 HydrophobicContact CZ-CB 4.5Å; F97-H239 AromaticContact CZ-CD2 3.64Å; F97-H239 AromaticContact CZ-CE1 3.25Å; F97-H239 WeakPolarHBondContact CZ-CE1 3.44Å; F97-H239 AromaticContact CZ-CG 3.63Å; F97-H239 AromaticContact CZ-ND1 3.4Å; F97-H239 WeakPolarHBondContact CZ-ND1 3.22Å; F97-H239 AromaticContact CZ-NE2 3.4Å; F97-H239 WeakPolarHBondContact CZ-NE2 3.43Å; F97-H239 PolarHBondContact O-ND1 3.17Å
98G90.9Very high81.7Confident7 Ų755.7 Ų55.77%0.07231%0.311CS..EExtended strand (participates in β ladder)trans141.9-140.9-17800000111.1E114 F115G98-E114 VanDerWaalsContact O-OE2 3.12Å; G98-F115 VanDerWaalsContact C-CD1 3.43Å; G98-F115 VanDerWaalsContact C-CE1 3.48Å; G98-F115 PolarHBondContact N-O 2.73Å; G98-F115 WeakPolarHBondContact O-CD1 3.39Å; G98-F115 PolarHBondContact O-N 2.87Å
99Q91.1Very high80.1Confident36 Ų3662.1 Ų62.117%0.16835%0.345CS..EExtended strand (participates in β ladder)trans-118.6142.4-180-77.1179.5-14.100110.7P112 T113 E114 P242 I243Q99-P112 HydrophobicContact CB-CB 3.99Å; Q99-P112 HydrophobicContact CG-CB 4.25Å; Q99-T113 CarbonylContact C-O 3.5Å; Q99-T113 VanDerWaalsContact CA-O 3.23Å; Q99-T113 WeakPolarHBondContact CA-O 3.42Å; Q99-E114 WeakPolarHBondContact CG-OE2 3.41Å; Q99-E114 PolarHBondContact NE2-OE1 2.82Å; Q99-P242 HydrophobicContact CB-CB 4.29Å; Q99-P242 CarbonylContact O-C 3.47Å; Q99-P242 WeakPolarHBondContact O-CA 3.41Å; Q99-I243 PolarHBondContact O-N 2.81Å
100I90.9Very high78.7Confident1 Ų161.3 Ų61.31%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-106.8132.3173.7-54.5179.9000108.5F102 T113 F115 L231 I243 Y245 L259I100-F102 HydrophobicContact CG2-CD1 4.2Å; I100-F102 HydrophobicContact CG2-CE1 3.98Å; I100-F102 HydrophobicContact CG2-CE2 4.33Å; I100-F102 HydrophobicContact CG2-CG 4.48Å; I100-F102 HydrophobicContact CG2-CZ 4.05Å; I100-T113 PolarHBondContact N-O 2.63Å; I100-T113 PolarHBondContact O-N 2.98Å; I100-F115 HydrophobicContact CD1-CB 4.11Å; I100-F115 HydrophobicContact CD1-CD1 3.84Å; I100-F115 HydrophobicContact CD1-CE1 4.36Å; I100-F115 HydrophobicContact CD1-CG 3.92Å; I100-F115 HydrophobicContact CG1-CB 4.41Å; I100-F115 HydrophobicContact CG1-CD1 3.34Å; I100-F115 HydrophobicContact CG1-CE1 3.66Å; I100-F115 HydrophobicContact CG1-CG 3.96Å; I100-L231 HydrophobicContact CD1-CD1 4.3Å; I100-L231 HydrophobicContact CD1-CD2 3.82Å; I100-L231 HydrophobicContact CG1-CD2 3.96Å; I100-I243 WeakPolarHBondContact CA-O 3.45Å; I100-Y245 VanDerWaalsContact CG2-CB 3.49Å; I100-Y245 HydrophobicContact CG2-CG 4.3Å; I100-L259 HydrophobicContact CD1-CD1 3.9Å
101E89.5Confident77.9Confident106 Ų10665.7 Ų65.750%0.49536%0.357SS..EExtended strand (participates in β ladder)trans-109112.5167.6-173.9169.1-166.100108.9P242 I243 P244 Y245E101-P242 HydrophobicContact CB-CB 3.85Å; E101-I243 PolarHBondContact N-O 2.91Å; E101-P244 CarbonylContact O-C 3.58Å; E101-P244 WeakPolarHBondContact O-CA 3.43Å; E101-Y245 PolarHBondContact O-N 2.91Å
102F87.3Confident77.7Confident27 Ų2766.2 Ų66.212%0.11836%0.361CS..EExtended strand (participates in β ladder)trans-77125.8179.9-69.1-70.7000110.5I100 T104 T113 Y245 V247 L259 Q261 Y266I100-F102 HydrophobicContact CG2-CD1 4.2Å; I100-F102 HydrophobicContact CG2-CE1 3.98Å; I100-F102 HydrophobicContact CG2-CE2 4.33Å; I100-F102 HydrophobicContact CG2-CG 4.48Å; I100-F102 HydrophobicContact CG2-CZ 4.05Å; F102-T104 PolarHBondContact O-N 3.11Å; F102-T113 HydrophobicContact CE2-CG2 4.16Å; F102-T113 WeakPolarHBondContact CE2-OG1 3.37Å; F102-Y245 WeakPolarHBondContact CA-O 3.5Å; F102-Y245 AromaticContact CD1-CD1 3.87Å; F102-Y245 HydrophobicContact CD1-CD1 3.87Å; F102-Y245 AromaticContact CE1-CD1 3.7Å; F102-Y245 HydrophobicContact CE1-CD1 3.7Å; F102-Y245 HydrophobicContact CE1-CE1 4.32Å; F102-Y245 HydrophobicContact CE1-CG 4.47Å; F102-V247 HydrophobicContact CD1-CG2 3.53Å; F102-V247 HydrophobicContact CE1-CG2 4.04Å; F102-V247 HydrophobicContact CG-CG2 4.41Å; F102-L259 HydrophobicContact CE1-CB 4.07Å; F102-L259 HydrophobicContact CZ-CB 4.34Å; F102-Q261 HydrophobicContact CB-CB 4.03Å; F102-Q261 HydrophobicContact CD1-CB 4.14Å; F102-Q261 HydrophobicContact CD2-CB 4.05Å; F102-Q261 HydrophobicContact CG-CB 3.81Å; F102-Y266 HydrophobicContact CE2-CE2 4.45Å; F102-Y266 AromaticContact CZ-CE2 3.96Å; F102-Y266 HydrophobicContact CZ-CE2 3.96Å
103I81.6Confident77.8Confident94 Ų9465.6 Ų65.648%0.48235%0.354SS..EExtended strand (participates in β ladder)trans-84.4110.5177.8-53.6170.4000108.3P244 Y245I103-P244 HydrophobicContact CD1-CB 3.73Å; I103-P244 HydrophobicContact CG1-CB 4.12Å; I103-Y245 PolarHBondContact N-O 3.31Å
104T69.6Low77.9Confident42 Ų4263.6 Ų63.626%0.25834%0.338SS..  trans-125.7152.4178.356.70000111.9F102 S106F102-T104 PolarHBondContact O-N 3.11Å; T104-S106 PolarHBondContact O-N 3.14Å; T104-S106 PolarHBondContact OG1-O 3.2Å
105E64.6Low78.1Confident207 Ų20763.6 Ų63.697%0.96734%0.338SS*.SBendtrans-65.1-23.7177.8-66.8-176.9168.900113.5
106S58Low78.3Confident50 Ų5061.6 Ų61.635%0.3533%0.327SS..SBendtrans-84.4128.8174.855.70000111.8T104 S108T104-S106 PolarHBondContact O-N 3.14Å; T104-S106 PolarHBondContact OG1-O 3.2Å; S106-S108 PolarHBondContact O-N 3.34Å
107T47Very low78.5Confident132 Ų13261.7 Ų61.781%0.8133%0.328SS*.  trans-64.2120.9-172.535.90000115.1
108S49.2Very low78.5Confident98 Ų9861.4 Ų61.469%0.68533%0.326SS*.SBendtrans51.874.913469.70000118.9S106S106-S108 PolarHBondContact O-N 3.34Å
109N52.3Low78.7Confident160 Ų16061 Ų6186%0.85632%0.323SS*.  trans-169.623.7148.4-98.4-17.8000115.1K111N109-K111 PolarHBondContact O-N 3Å
110H60.6Low78.6Confident89 Ų8961 Ų6141%0.41232%0.324SS..PPolyproline II helixtrans-78.7123.7172.9-73.8-69.7000110.2
111K71.8Confident78.5Confident149 Ų14967.4 Ų67.465%0.64835%0.354SS*.PPolyproline II helixtrans-60.2135.8171.2-166.9177.2-179-178.80108.6N109 T113N109-K111 PolarHBondContact O-N 3Å; K111-T113 PolarHBondContact O-N 3.22Å
112P81.9Confident78.6Confident49 Ų4963.1 Ų63.132%0.31833%0.334SS..PPolyproline II helixtrans-57.4140179.318.4-29.8000111.5Q99 P242Q99-P112 HydrophobicContact CB-CB 3.99Å; Q99-P112 HydrophobicContact CG-CB 4.25Å; P112-P242 HydrophobicContact CB-CB 4.37Å; P112-P242 HydrophobicContact CB-CG 4.29Å
113T89.6Confident78.9Confident7 Ų768.3 Ų68.34%0.04336%0.357CS..EExtended strand (participates in β ladder)trans-89129.7-174.9-63.40000110Q99 I100 F102 K111 H263 T264 Y266Q99-T113 CarbonylContact C-O 3.5Å; Q99-T113 VanDerWaalsContact CA-O 3.23Å; Q99-T113 WeakPolarHBondContact CA-O 3.42Å; I100-T113 PolarHBondContact N-O 2.63Å; I100-T113 PolarHBondContact O-N 2.98Å; F102-T113 HydrophobicContact CE2-CG2 4.16Å; F102-T113 WeakPolarHBondContact CE2-OG1 3.37Å; K111-T113 PolarHBondContact O-N 3.22Å; T113-H263 WeakPolarHBondContact CG2-O 3.45Å; T113-H263 PolarHBondContact OG1-O 3.26Å; T113-T264 WeakPolarHBondContact CG2-O 3.45Å; T113-Y266 HydrophobicContact CG2-CD2 3.55Å; T113-Y266 HydrophobicContact CG2-CE2 3.84Å
114E92.5Very high79.3Confident29 Ų2964.4 Ų64.414%0.13634%0.337CS..EExtended strand (participates in β ladder)trans-82.2139.4-178.5-68.3-71.6-169.200111.6K26 G98 Q99 W135 T264 H265 Y266K26-E114 IonicContact NZ-OE1 3.78Å; K26-E114 PolarHBondContact NZ-OE1 2.96Å; K26-E114 IonicContact NZ-OE2 2.96Å; K26-E114 PolarHBondContact NZ-OE2 3.15Å; G98-E114 VanDerWaalsContact O-OE2 3.12Å; Q99-E114 WeakPolarHBondContact CG-OE2 3.41Å; Q99-E114 PolarHBondContact NE2-OE1 2.82Å; E114-W135 HydrophobicContact CB-CZ2 4.36Å; E114-T264 PolarHBondContact N-O 2.82Å; E114-T264 VanDerWaalsContact N-O 3.11Å; E114-H265 CarbonylContact O-C 3.52Å; E114-H265 WeakPolarHBondContact O-CA 3.3Å; E114-Y266 PolarHBondContact O-N 3.32Å
115F95.4Very high80.3Confident2 Ų268 Ų681%0.00935%0.351CS..EExtended strand (participates in β ladder)trans-143.8154.9176.381.4-78.1000114.4A96 F97 G98 I100 L231 I243 Y266 F268A96-F115 VanDerWaalsContact C-CE2 3.47Å; A96-F115 HydrophobicContact CB-CE2 4.25Å; F97-F115 WeakPolarHBondContact CA-O 3.33Å; G98-F115 VanDerWaalsContact C-CD1 3.43Å; G98-F115 VanDerWaalsContact C-CE1 3.48Å; G98-F115 PolarHBondContact N-O 2.73Å; G98-F115 WeakPolarHBondContact O-CD1 3.39Å; G98-F115 PolarHBondContact O-N 2.87Å; I100-F115 HydrophobicContact CD1-CB 4.11Å; I100-F115 HydrophobicContact CD1-CD1 3.84Å; I100-F115 HydrophobicContact CD1-CE1 4.36Å; I100-F115 HydrophobicContact CD1-CG 3.92Å; I100-F115 HydrophobicContact CG1-CB 4.41Å; I100-F115 HydrophobicContact CG1-CD1 3.34Å; I100-F115 HydrophobicContact CG1-CE1 3.66Å; I100-F115 HydrophobicContact CG1-CG 3.96Å; F115-L231 HydrophobicContact CE2-CB 4.08Å; F115-L231 HydrophobicContact CZ-CB 4.2Å; F115-L231 HydrophobicContact CZ-CD2 4.35Å; F115-I243 HydrophobicContact CE1-CD1 4.18Å; F115-I243 HydrophobicContact CZ-CD1 3.94Å; F115-Y266 VanDerWaalsContact CA-O 3.27Å; F115-Y266 WeakPolarHBondContact CA-O 3.47Å; F115-F268 HydrophobicContact CB-CE2 3.97Å; F115-F268 AromaticContact CD2-CD2 3.91Å; F115-F268 HydrophobicContact CD2-CD2 3.91Å; F115-F268 AromaticContact CD2-CE2 3.64Å; F115-F268 HydrophobicContact CD2-CE2 3.64Å; F115-F268 HydrophobicContact CG-CE2 4.13Å
116V95.4Very high81.7Confident2 Ų259.5 Ų59.51%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-146.5136.4172.665.10000110.7V30 F34 F97 I118 L130 W135 Y266 I267 F268V30-V116 HydrophobicContact CG1-CG2 4.06Å; F34-V116 HydrophobicContact CD2-CG2 4.09Å; F34-V116 HydrophobicContact CG-CG2 4.47Å; F97-V116 HydrophobicContact CB-CB 4.36Å; F97-V116 HydrophobicContact CB-CG2 4.13Å; V116-I118 HydrophobicContact CG1-CG2 4.11Å; V116-I118 HydrophobicContact CG2-CG2 3.97Å; V116-L130 HydrophobicContact CB-CD2 4.28Å; V116-L130 HydrophobicContact CG1-CD2 3.75Å; V116-W135 HydrophobicContact CB-CZ2 4.39Å; V116-W135 HydrophobicContact CG1-CH2 3.98Å; V116-W135 HydrophobicContact CG1-CZ2 3.92Å; V116-Y266 PolarHBondContact N-O 2.81Å; V116-I267 HydrophobicContact CG1-CG1 4.33Å; V116-F268 PolarHBondContact O-N 3.31Å
117R95.1Very high83.4Confident2 Ų257.1 Ų57.11%0.00830%0.295CS..EExtended strand (participates in β ladder)trans-90.1129.8165.4178.8-174.2178.6-1804.8109.4E38 S94 N95 A96 W222 F268 D270E38-R117 IonicContact OE1-CZ 3.81Å; E38-R117 IonicContact OE1-NH1 3.33Å; E38-R117 IonicContact OE1-NH2 3.57Å; E38-R117 PolarHBondContact OE1-NH2 3.38Å; S94-R117 VanDerWaalsContact CB-O 3.29Å; S94-R117 WeakPolarHBondContact CB-O 3.5Å; S94-R117 PolarHBondContact OG-O 2.96Å; N95-R117 PolarHBondContact OD1-NH1 2.83Å; A96-R117 HydrophobicContact CB-CB 3.86Å; A96-R117 VanDerWaalsContact O-CB 3.25Å; A96-R117 WeakPolarHBondContact O-CB 3.25Å; A96-R117 PolarHBondContact O-N 2.7Å; R117-W222 HydrophobicContact CG-CD2 4.19Å; R117-W222 HydrophobicContact CG-CE3 4.4Å; R117-W222 HydrophobicContact CG-CG 4.38Å; R117-F268 WeakPolarHBondContact CA-O 3.3Å; R117-F268 HydrophobicContact CB-CB 4.35Å; R117-D270 HydrophobicContact CG-CB 4.34Å; R117-D270 IonicContact CZ-OD2 3.44Å; R117-D270 IonicContact NE-OD2 2.87Å; R117-D270 PolarHBondContact NE-OD2 3.2Å; R117-D270 IonicContact NH2-OD2 2.61Å; R117-D270 PolarHBondContact NH2-OD2 2.8Å
118I95.1Very high85.6Confident0 Ų051.3 Ų51.30%026%0.259CS..EExtended strand (participates in β ladder)trans-130.5153.6179.664.8170.6000110F34 T35 V116 D122 V127 I267 F268 V269 D270 F285F34-I118 HydrophobicContact CB-CG2 4.17Å; F34-I118 HydrophobicContact CD1-CB 4.29Å; F34-I118 HydrophobicContact CD1-CG2 3.52Å; F34-I118 HydrophobicContact CE1-CG2 4.05Å; F34-I118 HydrophobicContact CG-CG2 3.82Å; T35-I118 CarbonylContact O-C 3.6Å; V116-I118 HydrophobicContact CG1-CG2 4.11Å; V116-I118 HydrophobicContact CG2-CG2 3.97Å; I118-D122 WeakPolarHBondContact CA-OD2 3.37Å; I118-V127 HydrophobicContact CD1-CG2 4.09Å; I118-I267 HydrophobicContact CD1-CG2 3.47Å; I118-I267 VanDerWaalsContact CD1-CG2 3.47Å; I118-I267 HydrophobicContact CG1-CG2 3.87Å; I118-F268 PolarHBondContact N-O 3.5Å; I118-V269 HydrophobicContact CD1-CG2 4.36Å; I118-V269 HydrophobicContact CG1-CG2 4.38Å; I118-D270 WeakPolarHBondContact O-CB 3.39Å; I118-D270 PolarHBondContact O-N 2.75Å; I118-F285 HydrophobicContact CD1-CD2 4.4Å; I118-F285 HydrophobicContact CD1-CE1 3.95Å; I118-F285 HydrophobicContact CD1-CE2 3.63Å; I118-F285 HydrophobicContact CD1-CZ 3.38Å
119S93.9Very high87.6Confident0 Ų049.7 Ų49.70%024%0.242CC..EExtended strand (participates in β ladder)trans-78.1149.8168178.10000110.5T35 K37 E121 D122T35-S119 PolarHBondContact O-N 3.47Å; T35-S119 WeakPolarHBondContact OG1-CB 3.49Å; K37-S119 WeakPolarHBondContact CD-OG 3.39Å; K37-S119 WeakPolarHBondContact CE-OG 3.45Å; K37-S119 WeakPolarHBondContact CG-OG 3.41Å; S119-E121 PolarHBondContact O-N 2.91Å; S119-E121 PolarHBondContact OG-N 3.26Å; S119-D122 PolarHBondContact N-OD2 2.84Å; S119-D122 WeakPolarHBondContact O-CB 3.39Å; S119-D122 PolarHBondContact O-N 3.49Å; S119-D122 VanDerWaalsContact O-N 3.11Å
120D89.5Confident89.6Confident36 Ų3642.1 Ų42.119%0.19320%0.202CC..THydrogen-bonded Turntrans-58.1-18.5166.362.8-47.9000114.2K37 V269 D270 E281K37-D120 WeakPolarHBondContact CD-OD1 3.33Å; K37-D120 WeakPolarHBondContact CE-OD1 3.49Å; K37-D120 VanDerWaalsContact NZ-CG 3.26Å; K37-D120 IonicContact NZ-OD1 2.69Å; K37-D120 PolarHBondContact NZ-OD1 2.88Å; K37-D120 IonicContact NZ-OD2 2.88Å; K37-D120 PolarHBondContact NZ-OD2 3.36Å; K37-D120 VanDerWaalsContact NZ-OD2 3.1Å; D120-V269 HydrophobicContact CB-CG1 4.17Å; D120-D270 PolarHBondContact N-O 2.99Å; D120-D270 VanDerWaalsContact OD1-O 3.12Å; D120-E281 HydrophobicContact CB-CB 3.98Å; D120-E281 HydrophobicContact CB-CG 4.45Å
121E88.3Confident91.2Very high135 Ų13537.9 Ų37.963%0.63118%0.182SC*.THydrogen-bonded Turntrans-89.5-12.5174.8-79.2172.6-156.200114.3K37 S119K37-E121 VanDerWaalsContact CE-OE1 3.27Å; K37-E121 WeakPolarHBondContact CE-OE1 3.46Å; K37-E121 VanDerWaalsContact NZ-CG 3.32Å; K37-E121 IonicContact NZ-OE1 2.79Å; K37-E121 PolarHBondContact NZ-OE1 2.91Å; K37-E121 IonicContact NZ-OE2 2.8Å; S119-E121 PolarHBondContact O-N 2.91Å; S119-E121 PolarHBondContact OG-N 3.26Å
122D92.5Very high92.1Very high16 Ų1635.3 Ų35.39%0.08617%0.171CC..SBendtrans-65150.4-178.7-70.6-23.1000111.3F34 T35 I118 S119F34-D122 HydrophobicContact CD1-CB 4.22Å; T35-D122 PolarHBondContact N-OD1 2.91Å; T35-D122 PolarHBondContact N-OD2 2.98Å; T35-D122 PolarHBondContact OG1-OD1 2.76Å; I118-D122 WeakPolarHBondContact CA-OD2 3.37Å; S119-D122 PolarHBondContact N-OD2 2.84Å; S119-D122 WeakPolarHBondContact O-CB 3.39Å; S119-D122 PolarHBondContact O-N 3.49Å; S119-D122 VanDerWaalsContact O-N 3.11Å
123K92.4Very high92.4Very high135 Ų13536.2 Ų36.259%0.58717%0.173SC*.  trans-72.5135.9-175.8-68-178.6-175.1174.60111.7E125 D126K123-E125 VanDerWaalsContact C-N 3.32Å; K123-E125 PolarHBondContact O-N 2.97Å; K123-D126 PolarHBondContact O-N 2.63Å
124L91.2Very high92.5Very high13 Ų1339.4 Ų39.47%0.06819%0.185CC..Hα-helixtrans-69.7-31-179.9-158.273.4000112D126 V127 M128 F285 R288 L289 Q292L124-D126 VanDerWaalsContact C-N 3.28Å; L124-D126 PolarHBondContact O-N 2.89Å; L124-V127 PolarHBondContact O-N 3.39Å; L124-M128 WeakPolarHBondContact O-CG 3.25Å; L124-M128 PolarHBondContact O-N 2.82Å; L124-F285 HydrophobicContact CD1-CD2 4.18Å; L124-F285 HydrophobicContact CD1-CE2 3.49Å; L124-F285 VanDerWaalsContact CD1-CE2 3.49Å; L124-F285 HydrophobicContact CD1-CZ 3.73Å; L124-R288 HydrophobicContact CD2-CB 4.25Å; L124-R288 WeakPolarHBondContact CD2-O 3.23Å; L124-L289 HydrophobicContact CD1-CB 4.06Å; L124-L289 HydrophobicContact CD1-CD1 3.87Å; L124-L289 HydrophobicContact CG-CD1 4.22Å; L124-Q292 HydrophobicContact CD2-CB 3.53Å; L124-Q292 HydrophobicContact CD2-CG 3.92Å; L124-Q292 HydrophobicContact CG-CB 4.42Å
125E90.9Very high92.3Very high117 Ų11738.7 Ų38.755%0.54718%0.181SC..Hα-helixtrans-62.1-37.7177.6-59.593.2-166.500111.9K123 V127 M128 L129K123-E125 VanDerWaalsContact C-N 3.32Å; K123-E125 PolarHBondContact O-N 2.97Å; E125-V127 VanDerWaalsContact C-N 3.33Å; E125-V127 PolarHBondContact O-N 3.38Å; E125-M128 WeakPolarHBondContact O-CB 3.4Å; E125-M128 PolarHBondContact O-N 2.9Å; E125-L129 PolarHBondContact O-N 3.14Å
126D93.3Very high92Very high28 Ų2843 Ų4315%0.1520%0.2CC..Hα-helixtrans-67.7-35.8179.2-67.9-27.4000111.1H33 F34 K123 L124 L129 L130H33-D126 HydrophobicContact CB-CB 4.16Å; H33-D126 IonicContact CE1-OD1 3.29Å; H33-D126 IonicContact CG-OD2 2.9Å; H33-D126 IonicContact ND1-OD1 2.75Å; H33-D126 PolarHBondContact ND1-OD1 3.05Å; H33-D126 IonicContact ND1-OD2 3.15Å; H33-D126 PolarHBondContact ND1-OD2 3.4Å; F34-D126 HydrophobicContact CE1-CB 3.97Å; F34-D126 HydrophobicContact CZ-CB 4.06Å; K123-D126 PolarHBondContact O-N 2.63Å; L124-D126 VanDerWaalsContact C-N 3.28Å; L124-D126 PolarHBondContact O-N 2.89Å; D126-L129 PolarHBondContact O-N 3.15Å; D126-L130 PolarHBondContact O-N 2.9Å
127V93.7Very high91.7Very high1 Ų143 Ų431%0.00620%0.2CC..Hα-helixtrans-65.2-42.8172.9-1790000111.1F34 I118 L124 E125 L129 L130 M131 I267 F285 L289F34-V127 HydrophobicContact CE1-CG2 3.58Å; F34-V127 HydrophobicContact CZ-CG2 4.05Å; I118-V127 HydrophobicContact CD1-CG2 4.09Å; L124-V127 PolarHBondContact O-N 3.39Å; E125-V127 VanDerWaalsContact C-N 3.33Å; E125-V127 PolarHBondContact O-N 3.38Å; V127-L129 VanDerWaalsContact C-N 3.29Å; V127-L129 PolarHBondContact O-N 3.06Å; V127-L130 WeakPolarHBondContact O-CB 3.29Å; V127-L130 PolarHBondContact O-N 3.11Å; V127-M131 HydrophobicContact CG1-SD 4.07Å; V127-M131 WeakPolarHBondContact O-CG 3.4Å; V127-M131 PolarHBondContact O-N 3.24Å; V127-I267 HydrophobicContact CG1-CD1 3.91Å; V127-F285 HydrophobicContact CG1-CZ 4.4Å; V127-F285 HydrophobicContact CG2-CZ 4.15Å; V127-L289 HydrophobicContact CG1-CD1 4.25Å
128M92.5Very high91.1Very high9 Ų944.5 Ų44.54%0.04421%0.207CC..Hα-helixtrans-62.2-39.8175.7-65.7-69.3-77.300111.2L124 E125 M131 K132 L289 Q292 I293 F302L124-M128 WeakPolarHBondContact O-CG 3.25Å; L124-M128 PolarHBondContact O-N 2.82Å; E125-M128 WeakPolarHBondContact O-CB 3.4Å; E125-M128 PolarHBondContact O-N 2.9Å; M128-M131 PolarHBondContact O-N 2.85Å; M128-K132 WeakPolarHBondContact O-CB 3.16Å; M128-K132 PolarHBondContact O-N 3.38Å; M128-L289 HydrophobicContact CG-CD1 4.49Å; M128-L289 HydrophobicContact SD-CD1 3.81Å; M128-Q292 HydrophobicContact CE-CG 4.07Å; M128-Q292 HydrophobicContact CG-CG 3.94Å; M128-Q292 HydrophobicContact SD-CB 4.44Å; M128-Q292 HydrophobicContact SD-CG 4.21Å; M128-I293 HydrophobicContact CE-CG1 4.11Å; M128-I293 HydrophobicContact SD-CG1 3.97Å; M128-F302 HydrophobicContact CB-CZ 4.12Å; M128-F302 HydrophobicContact CE-CD1 3.81Å; M128-F302 HydrophobicContact CE-CD2 3.33Å; M128-F302 HydrophobicContact CE-CE1 3.73Å; M128-F302 HydrophobicContact CE-CE2 3.23Å; M128-F302 HydrophobicContact CE-CG 3.62Å; M128-F302 HydrophobicContact CE-CZ 3.44Å; M128-F302 VanDerWaalsContact CE-CZ 3.44Å; M128-F302 WeakPolarHBondContact O-CZ 3.42Å; M128-F302 HydrophobicContact SD-CD2 4.23Å; M128-F302 HydrophobicContact SD-CE2 3.64Å; M128-F302 HydrophobicContact SD-CZ 3.93Å
129L92.5Very high90.4Very high64 Ų6449.6 Ų49.634%0.33523%0.231SC..Hα-helixtrans-65.4-40.5175.9-166.566.8000111.9F29 E125 D126 V127 K132 N133F29-L129 HydrophobicContact CE2-CD2 3.63Å; F29-L129 HydrophobicContact CE2-CG 4.44Å; F29-L129 HydrophobicContact CZ-CB 4.17Å; F29-L129 HydrophobicContact CZ-CD2 3.75Å; F29-L129 HydrophobicContact CZ-CG 4.18Å; E125-L129 PolarHBondContact O-N 3.14Å; D126-L129 PolarHBondContact O-N 3.15Å; V127-L129 VanDerWaalsContact C-N 3.29Å; V127-L129 PolarHBondContact O-N 3.06Å; L129-K132 PolarHBondContact O-N 3.23Å; L129-N133 WeakPolarHBondContact CD1-ND2 3.35Å; L129-N133 WeakPolarHBondContact O-CB 3.19Å; L129-N133 PolarHBondContact O-N 2.73Å
130L94.2Very high89.3Confident1 Ų154.4 Ų54.41%0.00526%0.262CS..Iπ-helixtrans-56.5-52.3172.8-176.173.3000111.1F29 V30 F34 V116 D126 V127 K132 Y134 W135F29-L130 HydrophobicContact CD1-CD1 4.15Å; F29-L130 HydrophobicContact CE1-CB 4.17Å; F29-L130 HydrophobicContact CE1-CD1 4.26Å; V30-L130 HydrophobicContact CG2-CD1 3.97Å; F34-L130 HydrophobicContact CE2-CB 4.3Å; F34-L130 HydrophobicContact CE2-CD1 4.42Å; F34-L130 HydrophobicContact CE2-CD2 3.99Å; F34-L130 HydrophobicContact CE2-CG 4.48Å; F34-L130 HydrophobicContact CZ-CB 4.27Å; F34-L130 HydrophobicContact CZ-CD2 4.32Å; V116-L130 HydrophobicContact CB-CD2 4.28Å; V116-L130 HydrophobicContact CG1-CD2 3.75Å; D126-L130 PolarHBondContact O-N 2.9Å; V127-L130 WeakPolarHBondContact O-CB 3.29Å; V127-L130 PolarHBondContact O-N 3.11Å; L130-K132 PolarHBondContact O-N 2.93Å; L130-Y134 HydrophobicContact CD1-CD2 4.37Å; L130-Y134 HydrophobicContact CD1-CG 4.37Å; L130-Y134 PolarHBondContact O-N 3.3Å; L130-Y134 VanDerWaalsContact O-N 3.11Å; L130-W135 HydrophobicContact CD2-CD2 4.34Å; L130-W135 HydrophobicContact CD2-CH2 4.13Å; L130-W135 HydrophobicContact CD2-CZ2 3.72Å; L130-W135 HydrophobicContact CG-CD2 4.22Å; L130-W135 HydrophobicContact CG-CZ2 4.43Å; L130-W135 PolarHBondContact O-N 3.28Å
131M93.3Very high88.5Confident1 Ų157.7 Ų57.71%0.00528%0.277CS..Iπ-helixtrans-60.9-42.8-178.9-68.5167.275.900111.9V127 M128 W135 K136 M137 W180 I217 L289 I293 F302V127-M131 HydrophobicContact CG1-SD 4.07Å; V127-M131 WeakPolarHBondContact O-CG 3.4Å; V127-M131 PolarHBondContact O-N 3.24Å; M128-M131 PolarHBondContact O-N 2.85Å; M131-W135 HydrophobicContact CB-CE3 4.49Å; M131-W135 HydrophobicContact CG-CE3 3.85Å; M131-W135 HydrophobicContact CG-CZ3 4.06Å; M131-K136 PolarHBondContact O-N 3.12Å; M131-M137 HydrophobicContact CB-CE 4.08Å; M131-M137 HydrophobicContact CB-SD 4.27Å; M131-M137 HydrophobicContact CE-CE 3.28Å; M131-M137 HydrophobicContact CE-SD 4.38Å; M131-M137 HydrophobicContact CG-CE 4.19Å; M131-M137 HydrophobicContact CG-SD 4.29Å; M131-M137 WeakPolarHBondContact O-CB 3.24Å; M131-M137 WeakPolarHBondContact O-CG 3.4Å; M131-M137 PolarHBondContact O-N 3.39Å; M131-W180 HydrophobicContact CE-CE3 4.25Å; M131-W180 HydrophobicContact CE-CH2 4.33Å; M131-W180 HydrophobicContact CE-CZ3 3.74Å; M131-I217 HydrophobicContact CE-CD1 4.05Å; M131-L289 HydrophobicContact SD-CD1 4.35Å; M131-I293 HydrophobicContact CE-CD1 4.31Å; M131-F302 HydrophobicContact CB-CZ 4.46Å
132K90.3Very high88.3Confident94 Ų9455.7 Ų55.741%0.40927%0.266SS..Iπ-helixtrans-73.9-55.6-177.6-173.3-175.4175.8-174.60112.5M128 L129 L130 K136 M138 F302M128-K132 WeakPolarHBondContact O-CB 3.16Å; M128-K132 PolarHBondContact O-N 3.38Å; L129-K132 PolarHBondContact O-N 3.23Å; L130-K132 PolarHBondContact O-N 2.93Å; K132-K136 WeakPolarHBondContact O-CA 3.32Å; K132-M138 HydrophobicContact CG-CG 4.2Å; K132-F302 HydrophobicContact CB-CE1 4.04Å; K132-F302 HydrophobicContact CB-CZ 4.13Å; K132-F302 HydrophobicContact CD-CE1 4.29Å; K132-F302 HydrophobicContact CG-CE1 4.43Å
133N89.6Confident88.1Confident69 Ų6955.1 Ų55.137%0.36926%0.263SS..Iπ-helixtrans-92.2-37.3-165.2-69.31.3000113.1L129L129-N133 WeakPolarHBondContact CD1-ND2 3.35Å; L129-N133 WeakPolarHBondContact O-CB 3.19Å; L129-N133 PolarHBondContact O-N 2.73Å
134Y90.1Very high87.8Confident73 Ų7350.2 Ų50.229%0.28625%0.246SC..Iπ-helixtrans-99.8-42.7-171.4-64.6-84.3000112.5K25 K26 F29 L130 K136K25-Y134 HydrophobicContact CB-CE1 4.48Å; K25-Y134 WeakPolarHBondContact O-CE1 3.39Å; K26-Y134 HydrophobicContact CB-CD1 3.69Å; K26-Y134 HydrophobicContact CB-CE1 4.35Å; K26-Y134 HydrophobicContact CB-CG 4.47Å; K26-Y134 HydrophobicContact CG-CD1 4.05Å; K26-Y134 HydrophobicContact CG-CG 4.36Å; F29-Y134 HydrophobicContact CB-CE1 3.89Å; F29-Y134 HydrophobicContact CB-CE2 3.94Å; F29-Y134 VanDerWaalsContact CB-CZ 3.46Å; F29-Y134 WeakPolarHBondContact CB-OH 3.35Å; F29-Y134 AromaticContact CD1-CD2 3.84Å; F29-Y134 HydrophobicContact CD1-CD2 3.84Å; F29-Y134 AromaticContact CD1-CE2 3.49Å; F29-Y134 HydrophobicContact CD1-CE2 3.49Å; F29-Y134 VanDerWaalsContact CD1-CE2 3.49Å; F29-Y134 AromaticContact CD1-CZ 3.97Å; F29-Y134 AromaticContact CD2-CE2 3.64Å; F29-Y134 HydrophobicContact CD2-CE2 3.64Å; F29-Y134 AromaticContact CD2-CZ 3.74Å; F29-Y134 WeakPolarHBondContact CD2-OH 3.44Å; F29-Y134 HydrophobicContact CE1-CD2 4.14Å; F29-Y134 AromaticContact CE1-CE2 3.87Å; F29-Y134 HydrophobicContact CE1-CE2 3.87Å; F29-Y134 HydrophobicContact CE2-CE2 4.02Å; F29-Y134 HydrophobicContact CG-CD2 4.17Å; F29-Y134 HydrophobicContact CG-CE1 4.26Å; F29-Y134 AromaticContact CG-CE2 3.37Å; F29-Y134 HydrophobicContact CG-CE2 3.37Å; F29-Y134 AromaticContact CG-CZ 3.42Å; F29-Y134 VanDerWaalsContact CG-CZ 3.42Å; F29-Y134 WeakPolarHBondContact CG-OH 3.45Å; F29-Y134 HydrophobicContact CZ-CE2 4.13Å; L130-Y134 HydrophobicContact CD1-CD2 4.37Å; L130-Y134 HydrophobicContact CD1-CG 4.37Å; L130-Y134 PolarHBondContact O-N 3.3Å; L130-Y134 VanDerWaalsContact O-N 3.11Å; Y134-K136 VanDerWaalsContact C-N 3.29Å
135W90.1Very high87.8Confident15 Ų1549.6 Ų49.66%0.05724%0.242CC..SBendtrans-82.4-10171.8-67.7-11.2000113E114 V116 L130 M131 M137 H265 I267E114-W135 HydrophobicContact CB-CZ2 4.36Å; V116-W135 HydrophobicContact CB-CZ2 4.39Å; V116-W135 HydrophobicContact CG1-CH2 3.98Å; V116-W135 HydrophobicContact CG1-CZ2 3.92Å; L130-W135 HydrophobicContact CD2-CD2 4.34Å; L130-W135 HydrophobicContact CD2-CH2 4.13Å; L130-W135 HydrophobicContact CD2-CZ2 3.72Å; L130-W135 HydrophobicContact CG-CD2 4.22Å; L130-W135 HydrophobicContact CG-CZ2 4.43Å; L130-W135 PolarHBondContact O-N 3.28Å; M131-W135 HydrophobicContact CB-CE3 4.49Å; M131-W135 HydrophobicContact CG-CE3 3.85Å; M131-W135 HydrophobicContact CG-CZ3 4.06Å; W135-M137 HydrophobicContact CB-CG 3.73Å; W135-M137 HydrophobicContact CB-SD 4.39Å; W135-M137 HydrophobicContact CE3-SD 3.77Å; W135-M137 HydrophobicContact CZ3-SD 4.5Å; W135-M137 PolarHBondContact O-N 2.96Å; W135-H265 AromaticContact CD2-CD2 3.62Å; W135-H265 HydrophobicContact CE3-CB 4.34Å; W135-H265 AromaticContact CE3-CD2 3.52Å; W135-H265 AromaticContact CG-CD2 3.94Å; W135-H265 HydrophobicContact CH2-CB 4.35Å; W135-H265 HydrophobicContact CZ3-CB 4Å; W135-I267 HydrophobicContact CH2-CD1 4.41Å; W135-I267 HydrophobicContact CH2-CG1 3.79Å; W135-I267 HydrophobicContact CZ3-CD1 4.27Å; W135-I267 HydrophobicContact CZ3-CG1 4.1Å
136K88.5Confident87.9Confident93 Ų9344 Ų4440%0.40422%0.216SC..  trans49.645.7178.1-59.1-174.3175.2-165.30111.8M131 K132 Y134 M138 E139 R215M131-K136 PolarHBondContact O-N 3.12Å; K132-K136 WeakPolarHBondContact O-CA 3.32Å; Y134-K136 VanDerWaalsContact C-N 3.29Å; K136-M138 PolarHBondContact O-N 3.17Å; K136-E139 PolarHBondContact O-N 3.23Å; K136-R215 PolarHBondContact O-NH2 3.25Å
137M87.9Confident88.1Confident2 Ų242.7 Ų42.71%0.0121%0.209CC..THydrogen-bonded Turntrans-73.2-13.8-173.5-62.5-163.2-8.100114.4M131 W135 W180 R215 I217M131-M137 HydrophobicContact CB-CE 4.08Å; M131-M137 HydrophobicContact CB-SD 4.27Å; M131-M137 HydrophobicContact CE-CE 3.28Å; M131-M137 HydrophobicContact CE-SD 4.38Å; M131-M137 HydrophobicContact CG-CE 4.19Å; M131-M137 HydrophobicContact CG-SD 4.29Å; M131-M137 WeakPolarHBondContact O-CB 3.24Å; M131-M137 WeakPolarHBondContact O-CG 3.4Å; M131-M137 PolarHBondContact O-N 3.39Å; W135-M137 HydrophobicContact CB-CG 3.73Å; W135-M137 HydrophobicContact CB-SD 4.39Å; W135-M137 HydrophobicContact CE3-SD 3.77Å; W135-M137 HydrophobicContact CZ3-SD 4.5Å; W135-M137 PolarHBondContact O-N 2.96Å; M137-W180 HydrophobicContact CB-CH2 4.18Å; M137-W180 HydrophobicContact CB-CZ2 3.55Å; M137-W180 HydrophobicContact CE-CD2 3.79Å; M137-W180 HydrophobicContact CE-CE3 3.8Å; M137-W180 HydrophobicContact CE-CH2 3.42Å; M137-W180 VanDerWaalsContact CE-CH2 3.42Å; M137-W180 HydrophobicContact CE-CZ2 3.37Å; M137-W180 HydrophobicContact CE-CZ3 3.62Å; M137-R215 VanDerWaalsContact CA-CZ 3.49Å; M137-R215 PolarHBondContact O-NE 3.29Å; M137-I217 HydrophobicContact CE-CD1 3.66Å; M137-I217 HydrophobicContact SD-CD1 4.43Å
138M84.1Confident88.1Confident32 Ų3242.7 Ų42.716%0.15821%0.209CC..THydrogen-bonded Turntrans-90.1-4.9178.8-56.4-61.8-82.600113.3K132 K136 E141 K142 P143 W180 F302 I304K132-M138 HydrophobicContact CG-CG 4.2Å; K136-M138 PolarHBondContact O-N 3.17Å; M138-E141 CarbonylContact O-C 3.59Å; M138-E141 VanDerWaalsContact O-C 3.28Å; M138-K142 HydrophobicContact CE-CB 4.38Å; M138-K142 HydrophobicContact CE-CD 3.81Å; M138-K142 HydrophobicContact CE-CG 3.62Å; M138-K142 PolarHBondContact O-N 2.96Å; M138-P143 HydrophobicContact SD-CG 4.29Å; M138-W180 HydrophobicContact SD-CH2 3.81Å; M138-W180 HydrophobicContact SD-CZ2 3.81Å; M138-F302 HydrophobicContact CE-CB 4.35Å; M138-F302 HydrophobicContact CE-CD1 4.39Å; M138-F302 HydrophobicContact CE-CG 4.37Å; M138-F302 HydrophobicContact SD-CG 4.47Å; M138-I304 HydrophobicContact CE-CD1 4.34Å; M138-I304 HydrophobicContact SD-CD1 4.34Å
139E80.3Confident88.3Confident108 Ų10842.3 Ų42.351%0.50521%0.207SC..  trans-101.4149.3-179.4-66.4178.1-168.400111.5K136 R215K136-E139 PolarHBondContact O-N 3.23Å; E139-R215 PolarHBondContact O-NH2 3.14Å
140P70Confident88.2Confident101 Ų10139.6 Ų39.666%0.65619%0.193SC*.SBendcis-78.4-22.6-3.231.7-35.5000113.8Q212P140-Q212 HydrophobicContact CG-CG 4.33Å
141E73.6Confident87.9Confident105 Ų10540 Ų4049%0.49120%0.197SC..SBendtrans-129.1144.2177.4-73.2-176.8-139.900110.5M138 R178M138-E141 CarbonylContact O-C 3.59Å; M138-E141 VanDerWaalsContact O-C 3.28Å; E141-R178 IonicContact OE1-NH2 2.69Å; E141-R178 PolarHBondContact OE1-NH2 3.46Å; E141-R178 IonicContact OE2-CZ 3.93Å; E141-R178 IonicContact OE2-NH1 3.9Å; E141-R178 PolarHBondContact OE2-NH1 3Å; E141-R178 IonicContact OE2-NH2 2.73Å; E141-R178 PolarHBondContact OE2-NH2 2.97Å
142K84Confident87.3Confident92 Ų9240 Ų4040%0.420%0.197SC..  trans-61.5129.6-179.3176.5170.3-179.7177.60110.6M138 E297 F302M138-K142 HydrophobicContact CE-CB 4.38Å; M138-K142 HydrophobicContact CE-CD 3.81Å; M138-K142 HydrophobicContact CE-CG 3.62Å; M138-K142 PolarHBondContact O-N 2.96Å; K142-E297 IonicContact NZ-OE1 3.9Å; K142-E297 PolarHBondContact NZ-OE1 3.4Å; K142-F302 WeakPolarHBondContact CE-O 3.39Å; K142-F302 PolarHBondContact NZ-O 3.38Å
143P87Confident86.7Confident5 Ų536.3 Ų36.33%0.03219%0.185CC..  trans-65.9142.2174.626.3-33000110.5M138 R178 W180 I304M138-P143 HydrophobicContact SD-CG 4.29Å; P143-R178 WeakPolarHBondContact CB-O 3.21Å; P143-W180 HydrophobicContact CG-CD2 4.2Å; P143-W180 VanDerWaalsContact CG-CE2 3.47Å; P143-W180 HydrophobicContact CG-CH2 4.4Å; P143-W180 HydrophobicContact CG-CZ2 3.59Å; P143-I304 HydrophobicContact CG-CD1 3.69Å
144S86.9Confident86Confident32 Ų3237.8 Ų37.822%0.22419%0.188CC..SBendtrans-101.5-1.9-175.173.30000114.1T177 P305 W434S144-T177 PolarHBondContact N-O 2.93Å; S144-T177 WeakPolarHBondContact OG-CA 3.38Å; S144-T177 WeakPolarHBondContact OG-CB 3.46Å; S144-T177 PolarHBondContact OG-O 3.29Å; S144-P305 WeakPolarHBondContact O-CD 3.42Å; S144-P305 VanDerWaalsContact O-CG 3.32Å; S144-P305 WeakPolarHBondContact O-CG 3.48Å; S144-W434 PolarHBondContact O-NE1 2.99Å; S144-W434 VanDerWaalsContact OG-CD1 3.32Å
145L91.1Very high85.1Confident0 Ų041.4 Ų41.40%021%0.212CC..  trans-155.2152.2-178.6179.958000111.8I147 T177 A179 W180 I304 P305 V307 I413 L414 L417L145-I147 HydrophobicContact CD2-CD1 3.96Å; L145-I147 HydrophobicContact CD2-CG1 3.76Å; L145-I147 HydrophobicContact CG-CG1 3.89Å; L145-T177 HydrophobicContact CB-CG2 4.49Å; L145-T177 WeakPolarHBondContact CB-OG1 3.27Å; L145-T177 HydrophobicContact CD2-CG2 4.21Å; L145-A179 HydrophobicContact CB-CB 3.9Å; L145-A179 HydrophobicContact CD2-CB 4.3Å; L145-A179 HydrophobicContact CG-CB 4.06Å; L145-A179 CarbonylContact O-C 3.58Å; L145-A179 WeakPolarHBondContact O-CA 3.35Å; L145-W180 PolarHBondContact O-N 2.89Å; L145-I304 VanDerWaalsContact C-CG2 3.45Å; L145-P305 HydrophobicContact CD1-CG 4.34Å; L145-P305 WeakPolarHBondContact CD1-O 3.48Å; L145-V307 HydrophobicContact CD1-CG1 4.11Å; L145-I413 HydrophobicContact CD2-CG2 4.48Å; L145-L414 HydrophobicContact CD2-CD2 3.68Å; L145-L417 HydrophobicContact CD1-CD1 3.25Å; L145-L417 HydrophobicContact CD1-CG 4.5Å; L145-L417 HydrophobicContact CD2-CD1 4.43Å; L145-L417 HydrophobicContact CG-CD1 4.48Å
146C93.9Very high84.5Confident0 Ų041.4 Ų41.40%021%0.213CC..EExtended strand (participates in β ladder)trans-127.9122.6165.8178.80000109.7W180 I293 I304 P305 V306 V307C146-W180 CarbonylContact C-O 3.5Å; C146-W180 WeakPolarHBondContact CA-O 3.23Å; C146-W180 HydrophobicContact CB-CB 4.41Å; C146-I293 HydrophobicContact CB-CG2 4.37Å; C146-I304 HydrophobicContact CB-CG2 4.15Å; C146-P305 PolarHBondContact N-O 2.97Å; C146-V306 HydrophobicContact CB-CG1 4.45Å; C146-V306 HydrophobicContact CB-CG2 4Å; C146-V306 CarbonylContact O-C 3.55Å; C146-V306 VanDerWaalsContact O-CA 3.3Å; C146-V306 WeakPolarHBondContact O-CA 3.37Å; C146-V307 PolarHBondContact O-N 2.98Å
147I95.6Very high84Confident0 Ų041.6 Ų41.60%022%0.221CC..EExtended strand (participates in β ladder)trans-107.5111.5-178.5-54174.4000108.1L145 V149 L170 A173 A174 A179 W180 I181 V182 V307 V309 I413L145-I147 HydrophobicContact CD2-CD1 3.96Å; L145-I147 HydrophobicContact CD2-CG1 3.76Å; L145-I147 HydrophobicContact CG-CG1 3.89Å; I147-V149 HydrophobicContact CG2-CG2 4.07Å; I147-L170 HydrophobicContact CD1-CD1 4.28Å; I147-L170 HydrophobicContact CG2-CD1 3.97Å; I147-A173 HydrophobicContact CD1-CB 4.12Å; I147-A174 HydrophobicContact CD1-CB 4.4Å; I147-A179 HydrophobicContact CD1-CB 3.89Å; I147-A179 HydrophobicContact CG1-CB 3.98Å; I147-W180 PolarHBondContact N-O 3.4Å; I147-I181 CarbonylContact O-C 3.45Å; I147-I181 VanDerWaalsContact O-CA 3.32Å; I147-I181 WeakPolarHBondContact O-CA 3.4Å; I147-V182 PolarHBondContact O-N 3.24Å; I147-V307 HydrophobicContact CB-CG1 4.45Å; I147-V307 HydrophobicContact CG1-CG1 4.12Å; I147-V307 HydrophobicContact CG2-CG1 4.4Å; I147-V309 HydrophobicContact CG2-CG2 3.8Å; I147-I413 HydrophobicContact CD1-CG2 4.39Å; I147-I413 HydrophobicContact CG1-CG2 4.49Å
148S95.6Very high83.7Confident0 Ų042 Ų420%022%0.224CC..EExtended strand (participates in β ladder)trans-90.3127.7171.2-171.90000109.5V182 E290 V307 L308 V309S148-V182 CarbonylContact C-O 3.55Å; S148-V182 WeakPolarHBondContact CA-O 3.33Å; S148-E290 WeakPolarHBondContact CB-OE1 3.43Å; S148-E290 PolarHBondContact OG-OE1 2.97Å; S148-V307 PolarHBondContact N-O 3.29Å; S148-L308 CarbonylContact O-C 3.58Å; S148-L308 WeakPolarHBondContact O-CA 3.33Å; S148-V309 PolarHBondContact O-N 3.19Å
149V94.9Very high83.5Confident2 Ų247.7 Ų47.71%0.01225%0.25CC..EExtended strand (participates in β ladder)trans-114.5123.6179.8-174.30000109.7I147 F166 L170 I181 V182 T183 I190 V194I147-V149 HydrophobicContact CG2-CG2 4.07Å; V149-F166 HydrophobicContact CG1-CZ 4.21Å; V149-L170 HydrophobicContact CG2-CD1 4.25Å; V149-I181 HydrophobicContact CG2-CG2 4.35Å; V149-V182 PolarHBondContact N-O 3.47Å; V149-T183 HydrophobicContact CB-CG2 4.25Å; V149-I190 HydrophobicContact CG1-CG1 4.1Å; V149-V194 HydrophobicContact CB-CG2 4.46Å; V149-V194 HydrophobicContact CG1-CG2 3.99Å
150I91.8Very high83.8Confident6 Ų645 Ų453%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-127.6155.6173.367.2170.3000110.5R286 L308 V309 I310 V311 V317 D320I150-R286 VanDerWaalsContact CG2-CZ 3.42Å; I150-R286 VanDerWaalsContact CG2-NH1 3.31Å; I150-R286 VanDerWaalsContact CG2-NH2 3.3Å; I150-L308 HydrophobicContact CB-CD1 4.37Å; I150-L308 HydrophobicContact CD1-CD1 3.99Å; I150-L308 HydrophobicContact CD1-CD2 3.82Å; I150-L308 HydrophobicContact CD1-CG 4.21Å; I150-L308 HydrophobicContact CG1-CD1 3.81Å; I150-L308 HydrophobicContact CG1-CD2 4.38Å; I150-L308 HydrophobicContact CG1-CG 4.22Å; I150-L308 HydrophobicContact CG2-CD1 3.79Å; I150-V309 PolarHBondContact N-O 3.14Å; I150-I310 HydrophobicContact CD1-CD1 4.12Å; I150-I310 HydrophobicContact CD1-CG1 3.9Å; I150-I310 HydrophobicContact CG1-CB 4.41Å; I150-I310 HydrophobicContact CG1-CG1 3.77Å; I150-I310 WeakPolarHBondContact O-CA 3.18Å; I150-V311 PolarHBondContact O-N 3.15Å; I150-V317 HydrophobicContact CD1-CG1 4.09Å; I150-V317 HydrophobicContact CD1-CG2 4.41Å; I150-D320 HydrophobicContact CD1-CB 3.68Å
151G87.6Confident84.7Confident9 Ų944.7 Ų44.79%0.09324%0.241CC..EExtended strand (participates in β ladder)trans173.4-158-178.600000115.5A153 V311G151-A153 PolarHBondContact O-N 3.07Å; G151-V311 CarbonylContact C-O 3.6Å; G151-V311 WeakPolarHBondContact CA-O 2.94Å
152G81Confident85.4Confident1 Ų142.7 Ų42.71%0.0123%0.23CC..  trans-58.9123.2-179.500000112.4G189 I190 V311G152-G189 VanDerWaalsContact O-CA 3.29Å; G152-G189 WeakPolarHBondContact O-CA 3.42Å; G152-I190 PolarHBondContact O-N 3.49Å; G152-V311 PolarHBondContact N-O 3.33Å
153A77.7Confident85.7Confident17 Ų1741.7 Ų41.714%0.1423%0.226CC..  trans-87.7-62.3178.100000112.4G151 L188 G189 Y277G151-A153 PolarHBondContact O-N 3.07Å; A153-L188 HydrophobicContact CB-CD1 3.44Å; A153-L188 VanDerWaalsContact CB-CD1 3.44Å; A153-G189 WeakPolarHBondContact O-CA 3.49Å; A153-G189 PolarHBondContact O-N 3.42Å; A153-Y277 HydrophobicContact CB-CE1 4.08Å
154K75Confident85.7Confident100 Ų10047.7 Ų47.744%0.43525%0.254SS..SBendtrans-99.4137.6-175.9-67.7-176.7178.9178.30111.8F156 R339K154-F156 VanDerWaalsContact C-N 3.26Å; K154-F156 PolarHBondContact O-N 2.88Å; K154-R339 PolarHBondContact O-NH1 3.37Å
155N70.4Confident85.9Confident149 Ų14946.3 Ų46.380%0.79724%0.244SC*.SBendtrans48.648.2178.2-59.4-11.6000112.2R339N155-R339 PolarHBondContact O-NH2 3.08Å; N155-R339 VanDerWaalsContact O-NH2 3.16Å
156F78.4Confident86Confident16 Ų1646.3 Ų46.37%0.0724%0.244CC..  trans-97.9124.8175.2172.8-92.6000108.2K154 L158 G189 I190 V193 V311 E312K154-F156 VanDerWaalsContact C-N 3.26Å; K154-F156 PolarHBondContact O-N 2.88Å; F156-L158 HydrophobicContact CE1-CB 3.85Å; F156-L158 HydrophobicContact CZ-CB 3.77Å; F156-L158 HydrophobicContact CZ-CD1 3.99Å; F156-L158 HydrophobicContact CZ-CD2 4.5Å; F156-L158 HydrophobicContact CZ-CG 4.31Å; F156-G189 VanDerWaalsContact CD1-C 3.48Å; F156-I190 HydrophobicContact CD1-CB 4.29Å; F156-I190 HydrophobicContact CE1-CB 4Å; F156-I190 HydrophobicContact CE1-CD1 3.64Å; F156-I190 HydrophobicContact CE1-CG1 4.43Å; F156-I190 HydrophobicContact CZ-CB 4.29Å; F156-I190 HydrophobicContact CZ-CD1 3.61Å; F156-I190 HydrophobicContact CZ-CG1 4.49Å; F156-V193 HydrophobicContact CD1-CG2 4.32Å; F156-V193 HydrophobicContact CE1-CB 4.45Å; F156-V193 HydrophobicContact CE1-CG2 3.86Å; F156-V311 HydrophobicContact CE2-CG1 4.14Å; F156-V311 HydrophobicContact CZ-CG1 3.86Å; F156-E312 HydrophobicContact CD2-CB 3.89Å; F156-E312 HydrophobicContact CD2-CG 4.35Å; F156-E312 WeakPolarHBondContact CD2-OE2 3.37Å; F156-E312 HydrophobicContact CE2-CB 3.62Å; F156-E312 HydrophobicContact CE2-CG 4.42Å; F156-E312 WeakPolarHBondContact CE2-OE2 3.22Å
157V77.9Confident85.7Confident96 Ų9647.4 Ų47.458%0.58225%0.248SC*.  trans-137.9113.7177.9178.20000107.2E159V157-E159 HydrophobicContact CG1-CB 4.42Å; V157-E159 HydrophobicContact CG1-CG 3.55Å; V157-E159 WeakPolarHBondContact CG1-OE1 3.46Å
158L81.5Confident85.4Confident12 Ų1250.1 Ų50.16%0.06327%0.267CS..  trans-101.4109.4172.6-158.876000106.6F156 K162 K163 F166 V193 T337 M403F156-L158 HydrophobicContact CE1-CB 3.85Å; F156-L158 HydrophobicContact CZ-CB 3.77Å; F156-L158 HydrophobicContact CZ-CD1 3.99Å; F156-L158 HydrophobicContact CZ-CD2 4.5Å; F156-L158 HydrophobicContact CZ-CG 4.31Å; L158-K162 HydrophobicContact CD1-CB 4.16Å; L158-K162 HydrophobicContact CG-CB 4.18Å; L158-K163 HydrophobicContact CG-CB 4.48Å; L158-K163 WeakPolarHBondContact O-CB 3.48Å; L158-K163 WeakPolarHBondContact O-CD 3.31Å; L158-F166 HydrophobicContact CD2-CB 3.75Å; L158-F166 HydrophobicContact CD2-CD1 4.27Å; L158-F166 HydrophobicContact CD2-CG 4.11Å; L158-V193 HydrophobicContact CD2-CG1 4.17Å; L158-T337 HydrophobicContact CD1-CG2 4.09Å; L158-M403 HydrophobicContact CD1-CE 4.33Å; L158-M403 HydrophobicContact CD2-CE 4.18Å
159E79.2Confident85.1Confident151 Ų15150.1 Ų50.171%0.70627%0.267SS*.  trans-116.5154.8-173.5-91.9173-162.900112.9V157V157-E159 HydrophobicContact CG1-CB 4.42Å; V157-E159 HydrophobicContact CG1-CG 3.55Å; V157-E159 WeakPolarHBondContact CG1-OE1 3.46Å
160G85.6Confident84.9Confident52 Ų5250.1 Ų50.154%0.53627%0.267SS..THydrogen-bonded Turntrans62.2-140.9175.900000113.8K162 K163 E164G160-K162 VanDerWaalsContact C-N 3.26Å; G160-K162 PolarHBondContact O-N 3.27Å; G160-K163 VanDerWaalsContact O-CB 3.28Å; G160-K163 WeakPolarHBondContact O-CB 3.44Å; G160-K163 PolarHBondContact O-N 3.49Å; G160-E164 PolarHBondContact O-N 3.38Å
161H89.2Confident84.7Confident94 Ų9450.3 Ų50.344%0.43527%0.269SS..Hα-helixtrans-53.3-37.7-176.1177.362.4000114K163 E164 V165 D407H161-K163 VanDerWaalsContact C-N 3.28Å; H161-K163 PolarHBondContact O-N 3.37Å; H161-E164 PolarHBondContact O-N 2.96Å; H161-V165 WeakPolarHBondContact O-CG2 3.3Å; H161-V165 PolarHBondContact O-N 3.37Å; H161-D407 IonicContact CE1-OD1 3.43Å; H161-D407 PolarHBondContact CE1-OD1 2.8Å; H161-D407 IonicContact CE1-OD2 3.46Å; H161-D407 IonicContact NE2-OD1 3.72Å; H161-D407 PolarHBondContact NE2-OD1 2.83Å
162K89.4Confident84.7Confident62 Ų6253.7 Ų53.727%0.2728%0.282SS..Hα-helixtrans-61.6-38.1177.9-72.3179.8-175173.50112.5L158 G160 F166 G336 M403 N404L158-K162 HydrophobicContact CD1-CB 4.16Å; L158-K162 HydrophobicContact CG-CB 4.18Å; G160-K162 VanDerWaalsContact C-N 3.26Å; G160-K162 PolarHBondContact O-N 3.27Å; K162-F166 WeakPolarHBondContact O-CB 3.04Å; K162-F166 PolarHBondContact O-N 3.49Å; K162-G336 WeakPolarHBondContact CE-O 3.26Å; K162-G336 PolarHBondContact NZ-O 3.3Å; K162-M403 HydrophobicContact CB-CE 3.67Å; K162-M403 HydrophobicContact CG-CB 4.34Å; K162-M403 HydrophobicContact CG-CE 4.21Å; K162-M403 WeakPolarHBondContact O-CE 3.27Å; K162-N404 WeakPolarHBondContact CE-OD1 3.47Å; K162-N404 PolarHBondContact NZ-OD1 3.41Å
163K89.1Confident85Confident71 Ų7153.7 Ų53.731%0.30928%0.282SS..Hα-helixtrans-63.6-46.2177.3-168.8-175.8175.6-178.50110.2L158 G160 H161 F166 Y167L158-K163 HydrophobicContact CG-CB 4.48Å; L158-K163 WeakPolarHBondContact O-CB 3.48Å; L158-K163 WeakPolarHBondContact O-CD 3.31Å; G160-K163 VanDerWaalsContact O-CB 3.28Å; G160-K163 WeakPolarHBondContact O-CB 3.44Å; G160-K163 PolarHBondContact O-N 3.49Å; H161-K163 VanDerWaalsContact C-N 3.28Å; H161-K163 PolarHBondContact O-N 3.37Å; K163-F166 PolarHBondContact O-N 3.25Å; K163-Y167 WeakPolarHBondContact CE-OH 3.42Å; K163-Y167 HydrophobicContact CG-CD1 4.16Å; K163-Y167 HydrophobicContact CG-CE1 3.84Å; K163-Y167 HydrophobicContact CG-CE2 4.36Å; K163-Y167 PolarHBondContact NZ-OH 3.38Å; K163-Y167 WeakPolarHBondContact O-CB 3.33Å; K163-Y167 WeakPolarHBondContact O-CD1 3.29Å; K163-Y167 VanDerWaalsContact O-CG 3.28Å; K163-Y167 PolarHBondContact O-N 3.09Å
164E87.8Confident85.6Confident131 Ų13152.9 Ų52.961%0.61228%0.275SS*.Hα-helixtrans-62.9-46.4178.3-67.4176.2171.200112.1G160 H161 F166 Y167 S168G160-E164 PolarHBondContact O-N 3.38Å; H161-E164 PolarHBondContact O-N 2.96Å; E164-F166 VanDerWaalsContact C-N 3.32Å; E164-F166 PolarHBondContact O-N 2.99Å; E164-Y167 WeakPolarHBondContact O-CB 3.4Å; E164-Y167 PolarHBondContact O-N 3.03Å; E164-S168 WeakPolarHBondContact O-CB 3.38Å; E164-S168 PolarHBondContact O-N 2.94Å; E164-S168 PolarHBondContact O-OG 3.23Å; E164-S168 VanDerWaalsContact O-OG 3.05Å
165V91.1Very high85.9Confident4 Ų452 Ų522%0.02427%0.273CS..Hα-helixtrans-60.3-42.2176.9170.20000111.6H161 S168 G169 F401 D407H161-V165 WeakPolarHBondContact O-CG2 3.3Å; H161-V165 PolarHBondContact O-N 3.37Å; V165-S168 PolarHBondContact O-OG 2.95Å; V165-G169 PolarHBondContact O-N 2.96Å; V165-F401 HydrophobicContact CG1-CE1 4.06Å; V165-F401 HydrophobicContact CG1-CZ 4.13Å; V165-D407 HydrophobicContact CG2-CB 4.14Å; V165-D407 WeakPolarHBondContact CG2-OD1 3.25Å
166F92.2Very high86.4Confident0 Ų047.6 Ų47.60%025%0.251CS..Hα-helixtrans-67.4-42.3176.2-177.7-102.9000111.8V149 L158 K162 K163 E164 L170 I190 V193 V194 V309 V311 M403 L409V149-F166 HydrophobicContact CG1-CZ 4.21Å; L158-F166 HydrophobicContact CD2-CB 3.75Å; L158-F166 HydrophobicContact CD2-CD1 4.27Å; L158-F166 HydrophobicContact CD2-CG 4.11Å; K162-F166 WeakPolarHBondContact O-CB 3.04Å; K162-F166 PolarHBondContact O-N 3.49Å; K163-F166 PolarHBondContact O-N 3.25Å; E164-F166 VanDerWaalsContact C-N 3.32Å; E164-F166 PolarHBondContact O-N 2.99Å; F166-L170 HydrophobicContact CE1-CD2 4.04Å; F166-L170 HydrophobicContact CZ-CD2 3.88Å; F166-L170 VanDerWaalsContact O-CB 3.22Å; F166-L170 WeakPolarHBondContact O-CB 3.26Å; F166-L170 PolarHBondContact O-N 2.69Å; F166-I190 HydrophobicContact CD1-CD1 4.38Å; F166-I190 HydrophobicContact CE1-CD1 3.79Å; F166-I190 HydrophobicContact CZ-CD1 3.89Å; F166-I190 HydrophobicContact CZ-CG1 4.41Å; F166-V193 HydrophobicContact CD1-CG1 3.77Å; F166-V193 HydrophobicContact CE1-CG1 4Å; F166-V194 HydrophobicContact CE1-CG2 3.86Å; F166-V194 HydrophobicContact CZ-CG2 3.96Å; F166-V309 HydrophobicContact CE2-CG1 4.45Å; F166-V311 HydrophobicContact CD2-CG2 4Å; F166-V311 HydrophobicContact CE2-CG2 3.45Å; F166-V311 VanDerWaalsContact CE2-CG2 3.45Å; F166-V311 HydrophobicContact CZ-CG2 4.03Å; F166-M403 HydrophobicContact CB-CE 3.9Å; F166-L409 HydrophobicContact CD2-CD2 3.63Å; F166-L409 HydrophobicContact CE2-CD2 4.24Å; F166-L409 HydrophobicContact CG-CD2 4.44Å
167Y89.2Confident86.7Confident23 Ų2347 Ų479%0.0925%0.248CC..Hα-helixtrans-60.5-57.9178.4-82.918000111.3K163 E164 G169 V171 V193 D196 A197K163-Y167 WeakPolarHBondContact CE-OH 3.42Å; K163-Y167 HydrophobicContact CG-CD1 4.16Å; K163-Y167 HydrophobicContact CG-CE1 3.84Å; K163-Y167 HydrophobicContact CG-CE2 4.36Å; K163-Y167 PolarHBondContact NZ-OH 3.38Å; K163-Y167 WeakPolarHBondContact O-CB 3.33Å; K163-Y167 WeakPolarHBondContact O-CD1 3.29Å; K163-Y167 VanDerWaalsContact O-CG 3.28Å; K163-Y167 PolarHBondContact O-N 3.09Å; E164-Y167 WeakPolarHBondContact O-CB 3.4Å; E164-Y167 PolarHBondContact O-N 3.03Å; Y167-G169 PolarHBondContact O-N 3.41Å; Y167-V171 WeakPolarHBondContact O-CB 3.5Å; Y167-V171 VanDerWaalsContact O-CG2 3.27Å; Y167-V171 WeakPolarHBondContact O-CG2 3.31Å; Y167-V171 PolarHBondContact O-N 2.69Å; Y167-V171 VanDerWaalsContact O-N 3.07Å; Y167-V193 HydrophobicContact CD1-CG1 4.16Å; Y167-V193 HydrophobicContact CE1-CB 4.34Å; Y167-V193 HydrophobicContact CE1-CG1 3.45Å; Y167-V193 VanDerWaalsContact CE1-CG1 3.45Å; Y167-V193 WeakPolarHBondContact CE1-O 3.21Å; Y167-D196 WeakPolarHBondContact OH-CB 3.45Å; Y167-A197 HydrophobicContact CD1-CB 3.75Å; Y167-A197 HydrophobicContact CD2-CB 4.3Å; Y167-A197 HydrophobicContact CE1-CB 3.91Å; Y167-A197 HydrophobicContact CE2-CB 4.47Å; Y167-A197 HydrophobicContact CG-CB 3.93Å
168S88.1Confident87Confident56 Ų5647.3 Ų47.339%0.39224%0.239SC..Hα-helixtrans-60.9-48.6-177.363.30000110.5E164 V165 V171 Q172E164-S168 WeakPolarHBondContact O-CB 3.38Å; E164-S168 PolarHBondContact O-N 2.94Å; E164-S168 PolarHBondContact O-OG 3.23Å; E164-S168 VanDerWaalsContact O-OG 3.05Å; V165-S168 PolarHBondContact O-OG 2.95Å; S168-V171 PolarHBondContact O-N 3.44Å; S168-Q172 WeakPolarHBondContact O-CB 3.48Å; S168-Q172 PolarHBondContact O-N 3.23Å
169G89.8Confident87.4Confident1 Ų146.8 Ų46.81%0.0124%0.237CC..Hα-helixtrans-64.6-43.6-177.600000114V165 Y167 A173 D410V165-G169 PolarHBondContact O-N 2.96Å; Y167-G169 PolarHBondContact O-N 3.41Å; G169-A173 VanDerWaalsContact O-CB 3.25Å; G169-A173 WeakPolarHBondContact O-CB 3.32Å; G169-A173 PolarHBondContact O-N 3.41Å; G169-D410 WeakPolarHBondContact O-CB 3.4Å
170L91.7Very high88Confident2 Ų239.8 Ų39.81%0.0120%0.204CC..Hα-helixtrans-66.9-46.7178.7-178.664.9000111.4I147 V149 F166 A174 V194I147-L170 HydrophobicContact CD1-CD1 4.28Å; I147-L170 HydrophobicContact CG2-CD1 3.97Å; V149-L170 HydrophobicContact CG2-CD1 4.25Å; F166-L170 HydrophobicContact CE1-CD2 4.04Å; F166-L170 HydrophobicContact CZ-CD2 3.88Å; F166-L170 VanDerWaalsContact O-CB 3.22Å; F166-L170 WeakPolarHBondContact O-CB 3.26Å; F166-L170 PolarHBondContact O-N 2.69Å; L170-A174 VanDerWaalsContact O-CB 3.3Å; L170-A174 WeakPolarHBondContact O-CB 3.07Å; L170-A174 PolarHBondContact O-N 3.35Å; L170-V194 HydrophobicContact CD2-CB 4.44Å; L170-V194 HydrophobicContact CD2-CG1 4.03Å; L170-V194 HydrophobicContact CD2-CG2 3.93Å
171V87.7Confident88.4Confident10 Ų1037.4 Ų37.46%0.06118%0.179CC..Hα-helixtrans-64.7-45.7-179.3170.30000110.6Y167 S168 A174 Q175 A197 Q201Y167-V171 WeakPolarHBondContact O-CB 3.5Å; Y167-V171 VanDerWaalsContact O-CG2 3.27Å; Y167-V171 WeakPolarHBondContact O-CG2 3.31Å; Y167-V171 PolarHBondContact O-N 2.69Å; Y167-V171 VanDerWaalsContact O-N 3.07Å; S168-V171 PolarHBondContact O-N 3.44Å; V171-A174 PolarHBondContact O-N 3.12Å; V171-Q175 HydrophobicContact CG1-CG 4.18Å; V171-Q175 WeakPolarHBondContact O-CB 3.44Å; V171-Q175 WeakPolarHBondContact O-CG 3.38Å; V171-Q175 PolarHBondContact O-N 3.04Å; V171-A197 HydrophobicContact CG2-CB 4.13Å; V171-Q201 HydrophobicContact CG1-CG 3.63Å; V171-Q201 HydrophobicContact CG2-CG 4.38Å
172Q86.3Confident88.7Confident80 Ų8033 Ų3337%0.37416%0.159SC..Hα-helixtrans-63.6-44.1179.7-174.3170-41.500111.7S168 A174 Q175 T176 D410 R436S168-Q172 WeakPolarHBondContact O-CB 3.48Å; S168-Q172 PolarHBondContact O-N 3.23Å; Q172-A174 VanDerWaalsContact C-N 3.32Å; Q172-A174 PolarHBondContact O-N 3.13Å; Q172-Q175 PolarHBondContact O-N 2.7Å; Q172-T176 HydrophobicContact CG-CG2 4.43Å; Q172-T176 WeakPolarHBondContact O-CB 3.36Å; Q172-T176 VanDerWaalsContact O-CG2 3.22Å; Q172-T176 WeakPolarHBondContact O-CG2 3.39Å; Q172-T176 PolarHBondContact O-N 3.15Å; Q172-T176 PolarHBondContact O-OG1 2.88Å; Q172-D410 HydrophobicContact CB-CB 4.44Å; Q172-D410 PolarHBondContact NE2-OD2 3.28Å; Q172-R436 VanDerWaalsContact NE2-NH1 3.1Å
173A88.7Confident88.9Confident0 Ų030.1 Ų30.10%015%0.146CC..Hα-helixtrans-60.1-43.117400000111.6I147 G169 T176 T177 D410 I413I147-A173 HydrophobicContact CD1-CB 4.12Å; G169-A173 VanDerWaalsContact O-CB 3.25Å; G169-A173 WeakPolarHBondContact O-CB 3.32Å; G169-A173 PolarHBondContact O-N 3.41Å; A173-T176 PolarHBondContact O-OG1 3.14Å; A173-T176 VanDerWaalsContact O-OG1 3.12Å; A173-T177 PolarHBondContact O-N 3.45Å; A173-T177 PolarHBondContact O-OG1 3.12Å; A173-D410 HydrophobicContact CB-CB 3.9Å; A173-I413 HydrophobicContact CB-CD1 4.26Å
174A88.6Confident89Confident0 Ų027.1 Ų27.10%013%0.134CC..Hα-helixtrans-72.9-36.7-177.100000112.9I147 L170 V171 Q172 R178 A179 I181 L214I147-A174 HydrophobicContact CD1-CB 4.4Å; L170-A174 VanDerWaalsContact O-CB 3.3Å; L170-A174 WeakPolarHBondContact O-CB 3.07Å; L170-A174 PolarHBondContact O-N 3.35Å; V171-A174 PolarHBondContact O-N 3.12Å; Q172-A174 VanDerWaalsContact C-N 3.32Å; Q172-A174 PolarHBondContact O-N 3.13Å; A174-R178 CarbonylContact O-C 3.52Å; A174-R178 WeakPolarHBondContact O-CA 3.36Å; A174-R178 PolarHBondContact O-N 2.81Å; A174-A179 HydrophobicContact CB-CB 4.12Å; A174-A179 PolarHBondContact O-N 3.48Å; A174-I181 HydrophobicContact CB-CD1 3.95Å; A174-I181 HydrophobicContact CB-CG1 4.29Å; A174-L214 HydrophobicContact CB-CD2 3.36Å
175Q82.9Confident89.1Confident82 Ų8220.9 Ų20.938%0.38311%0.105SC..Hα-helixtrans-70.1-48.2177.4-74.7179-1200112V171 Q172 T177 R178 L214V171-Q175 HydrophobicContact CG1-CG 4.18Å; V171-Q175 WeakPolarHBondContact O-CB 3.44Å; V171-Q175 WeakPolarHBondContact O-CG 3.38Å; V171-Q175 PolarHBondContact O-N 3.04Å; Q172-Q175 PolarHBondContact O-N 2.7Å; Q175-T177 VanDerWaalsContact C-N 3.28Å; Q175-T177 PolarHBondContact O-N 3.29Å; Q175-R178 PolarHBondContact O-N 2.87Å; Q175-L214 HydrophobicContact CG-CD1 4.01Å
176T80.9Confident89.1Confident57 Ų5720.7 Ų20.735%0.3510%0.104SC..Hα-helixtrans-61.2-37.6-177.850.70000112.3Q172 A173Q172-T176 HydrophobicContact CG-CG2 4.43Å; Q172-T176 WeakPolarHBondContact O-CB 3.36Å; Q172-T176 VanDerWaalsContact O-CG2 3.22Å; Q172-T176 WeakPolarHBondContact O-CG2 3.39Å; Q172-T176 PolarHBondContact O-N 3.15Å; Q172-T176 PolarHBondContact O-OG1 2.88Å; A173-T176 PolarHBondContact O-OG1 3.14Å; A173-T176 VanDerWaalsContact O-OG1 3.12Å
177T83.6Confident89Confident2 Ų221.3 Ų21.31%0.01211%0.107CC..Hα-helixtrans-100.9-1.5-177.563.80000114.3S144 L145 A173 Q175 A179 L414 W434S144-T177 PolarHBondContact N-O 2.93Å; S144-T177 WeakPolarHBondContact OG-CA 3.38Å; S144-T177 WeakPolarHBondContact OG-CB 3.46Å; S144-T177 PolarHBondContact OG-O 3.29Å; L145-T177 HydrophobicContact CB-CG2 4.49Å; L145-T177 WeakPolarHBondContact CB-OG1 3.27Å; L145-T177 HydrophobicContact CD2-CG2 4.21Å; A173-T177 PolarHBondContact O-N 3.45Å; A173-T177 PolarHBondContact O-OG1 3.12Å; Q175-T177 VanDerWaalsContact C-N 3.28Å; Q175-T177 PolarHBondContact O-N 3.29Å; T177-A179 VanDerWaalsContact C-N 3.27Å; T177-A179 PolarHBondContact O-N 3.4Å; T177-L414 HydrophobicContact CG2-CD1 4.45Å; T177-L414 HydrophobicContact CG2-CD2 3.71Å; T177-W434 HydrophobicContact CG2-CB 3.87Å; T177-W434 VanDerWaalsContact CG2-CD1 3.46Å; T177-W434 HydrophobicContact CG2-CD2 4.18Å; T177-W434 HydrophobicContact CG2-CG 3.57Å
178R84.8Confident89Confident104 Ų10420.5 Ų20.539%0.39211%0.105SC..THydrogen-bonded Turntrans48.949.9-168.7-52-166.1-167.4118.6-15.1111.6E141 P143 A174 Q175E141-R178 IonicContact OE1-NH2 2.69Å; E141-R178 PolarHBondContact OE1-NH2 3.46Å; E141-R178 IonicContact OE2-CZ 3.93Å; E141-R178 IonicContact OE2-NH1 3.9Å; E141-R178 PolarHBondContact OE2-NH1 3Å; E141-R178 IonicContact OE2-NH2 2.73Å; E141-R178 PolarHBondContact OE2-NH2 2.97Å; P143-R178 WeakPolarHBondContact CB-O 3.21Å; A174-R178 CarbonylContact O-C 3.52Å; A174-R178 WeakPolarHBondContact O-CA 3.36Å; A174-R178 PolarHBondContact O-N 2.81Å; Q175-R178 PolarHBondContact O-N 2.87Å
179A88.8Confident89Confident1 Ų118.2 Ų18.21%0.0089%0.09CC..  trans-71.2150-172.400000112.6L145 I147 A174 T177L145-A179 HydrophobicContact CB-CB 3.9Å; L145-A179 HydrophobicContact CD2-CB 4.3Å; L145-A179 HydrophobicContact CG-CB 4.06Å; L145-A179 CarbonylContact O-C 3.58Å; L145-A179 WeakPolarHBondContact O-CA 3.35Å; I147-A179 HydrophobicContact CD1-CB 3.89Å; I147-A179 HydrophobicContact CG1-CB 3.98Å; A174-A179 HydrophobicContact CB-CB 4.12Å; A174-A179 PolarHBondContact O-N 3.48Å; T177-A179 VanDerWaalsContact C-N 3.27Å; T177-A179 PolarHBondContact O-N 3.4Å
180W92.8Very high89Confident4 Ų418.2 Ų18.22%0.0159%0.089CC..EExtended strand (participates in β ladder)trans-80138.5157-67.5-7.2000109.7M131 M137 M138 P143 L145 C146 I147 R215 I217 I293 F302 I304M131-W180 HydrophobicContact CE-CE3 4.25Å; M131-W180 HydrophobicContact CE-CH2 4.33Å; M131-W180 HydrophobicContact CE-CZ3 3.74Å; M137-W180 HydrophobicContact CB-CH2 4.18Å; M137-W180 HydrophobicContact CB-CZ2 3.55Å; M137-W180 HydrophobicContact CE-CD2 3.79Å; M137-W180 HydrophobicContact CE-CE3 3.8Å; M137-W180 HydrophobicContact CE-CH2 3.42Å; M137-W180 VanDerWaalsContact CE-CH2 3.42Å; M137-W180 HydrophobicContact CE-CZ2 3.37Å; M137-W180 HydrophobicContact CE-CZ3 3.62Å; M138-W180 HydrophobicContact SD-CH2 3.81Å; M138-W180 HydrophobicContact SD-CZ2 3.81Å; P143-W180 HydrophobicContact CG-CD2 4.2Å; P143-W180 VanDerWaalsContact CG-CE2 3.47Å; P143-W180 HydrophobicContact CG-CH2 4.4Å; P143-W180 HydrophobicContact CG-CZ2 3.59Å; L145-W180 PolarHBondContact O-N 2.89Å; C146-W180 CarbonylContact C-O 3.5Å; C146-W180 WeakPolarHBondContact CA-O 3.23Å; C146-W180 HydrophobicContact CB-CB 4.41Å; I147-W180 PolarHBondContact N-O 3.4Å; W180-R215 WeakPolarHBondContact CA-O 3.35Å; W180-R215 HydrophobicContact CG-CB 4.49Å; W180-I217 HydrophobicContact CB-CD1 4.3Å; W180-I217 HydrophobicContact CD2-CD1 4.22Å; W180-I217 HydrophobicContact CE3-CD1 4.12Å; W180-I217 HydrophobicContact CG-CD1 4.33Å; W180-I293 HydrophobicContact CE3-CD1 4.44Å; W180-I293 HydrophobicContact CZ3-CD1 4.33Å; W180-F302 AromaticContact CH2-CD2 3.79Å; W180-F302 HydrophobicContact CH2-CD2 3.79Å; W180-F302 AromaticContact CH2-CE2 3.76Å; W180-F302 HydrophobicContact CH2-CE2 3.76Å; W180-F302 AromaticContact CZ3-CD2 3.8Å; W180-F302 HydrophobicContact CZ3-CD2 3.8Å; W180-F302 AromaticContact CZ3-CE2 3.89Å; W180-F302 HydrophobicContact CZ3-CE2 3.89Å; W180-I304 HydrophobicContact CH2-CD1 4.16Å; W180-I304 HydrophobicContact CZ3-CD1 4.19Å
181I94.4Very high89Confident1 Ų118.4 Ų18.41%0.0059%0.09CC..EExtended strand (participates in β ladder)trans-108.3120.5173.5-59.7172000107.6I147 V149 A174 T183 V194 L198 R215 C216 I217I147-I181 CarbonylContact O-C 3.45Å; I147-I181 VanDerWaalsContact O-CA 3.32Å; I147-I181 WeakPolarHBondContact O-CA 3.4Å; V149-I181 HydrophobicContact CG2-CG2 4.35Å; A174-I181 HydrophobicContact CB-CD1 3.95Å; A174-I181 HydrophobicContact CB-CG1 4.29Å; I181-T183 HydrophobicContact CG2-CG2 3.9Å; I181-V194 HydrophobicContact CG2-CG1 4.19Å; I181-L198 HydrophobicContact CD1-CD1 4.48Å; I181-L198 HydrophobicContact CD1-CD2 3.89Å; I181-R215 PolarHBondContact N-O 3.24Å; I181-C216 HydrophobicContact CB-CB 4.47Å; I181-C216 CarbonylContact O-C 3.45Å; I181-C216 WeakPolarHBondContact O-CA 3.3Å; I181-I217 PolarHBondContact O-N 2.94Å
182V95.3Very high89.1Confident3 Ų322.5 Ų22.52%0.01811%0.105CC..EExtended strand (participates in β ladder)trans-107.8124.6178.6-179.40000108.6I147 S148 V149 I217 I219 R286I147-V182 PolarHBondContact O-N 3.24Å; S148-V182 CarbonylContact C-O 3.55Å; S148-V182 WeakPolarHBondContact CA-O 3.33Å; V149-V182 PolarHBondContact N-O 3.47Å; V182-I217 WeakPolarHBondContact CA-O 3.27Å; V182-I217 HydrophobicContact CG2-CB 4.38Å; V182-I217 HydrophobicContact CG2-CD1 4.3Å; V182-I219 HydrophobicContact CG1-CD1 3.71Å; V182-I219 HydrophobicContact CG1-CG1 4.25Å; V182-R286 HydrophobicContact CG1-CG 4.14Å
183T93.9Very high89.2Confident0 Ų019.3 Ų19.30%09%0.091CC..EExtended strand (participates in β ladder)trans-136.3-178.4174.687.10000110.5V149 I181 G185 I191 V194 I217 I219 H263V149-T183 HydrophobicContact CB-CG2 4.25Å; I181-T183 HydrophobicContact CG2-CG2 3.9Å; T183-G185 PolarHBondContact O-N 2.83Å; T183-G185 PolarHBondContact OG1-N 3.15Å; T183-I191 WeakPolarHBondContact OG1-CG2 3.48Å; T183-V194 HydrophobicContact CG2-CG1 4.2Å; T183-I217 PolarHBondContact N-O 3.24Å; T183-I219 PolarHBondContact O-N 3.01Å; T183-H263 PolarHBondContact OG1-NE2 2.81Å
184S90.2Very high89.4Confident9 Ų919.3 Ų19.36%0.0639%0.091CC..  trans-70.7-11.9172.165.70000113.5L186 I191 I219 A220S184-L186 PolarHBondContact O-N 3.22Å; S184-I191 WeakPolarHBondContact OG-CD1 3.38Å; S184-I191 WeakPolarHBondContact OG-CG1 3.39Å; S184-I219 WeakPolarHBondContact CA-O 3.16Å; S184-I219 CarbonylContact O-C 3.55Å; S184-A220 WeakPolarHBondContact O-CA 3.48Å; S184-A220 VanDerWaalsContact O-CB 3.23Å; S184-A220 WeakPolarHBondContact O-CB 3.36Å
185G90.9Very high89.3Confident0 Ų019.3 Ų19.30%09%0.091CC..  trans69.4-9.3179.200000116T183 N260 Y266T183-G185 PolarHBondContact O-N 2.83Å; T183-G185 PolarHBondContact OG1-N 3.15Å; G185-N260 PolarHBondContact O-N 3.38Å; G185-Y266 WeakPolarHBondContact O-CE1 3.29Å; G185-Y266 PolarHBondContact O-OH 3.4Å
186L91.1Very high89.4Confident0 Ų018.1 Ų18.10%09%0.087CC..BIsolated β-bridgetrans-82144.7178.7-61.7179.5000110.6S184 L188 I191 A220 Y224 V225 L259 Y277S184-L186 PolarHBondContact O-N 3.22Å; L186-L188 HydrophobicContact CB-CD2 3.11Å; L186-L188 HydrophobicContact CB-CG 4.45Å; L186-L188 HydrophobicContact CD1-CD2 3.88Å; L186-L188 HydrophobicContact CG-CD2 4.17Å; L186-L188 PolarHBondContact O-N 2.76Å; L186-I191 VanDerWaalsContact O-CB 3.3Å; L186-I191 WeakPolarHBondContact O-CB 3.21Å; L186-I191 WeakPolarHBondContact O-CG2 3.45Å; L186-A220 HydrophobicContact CD2-CB 3.91Å; L186-A220 HydrophobicContact CG-CB 4.09Å; L186-Y224 HydrophobicContact CD1-CD1 3.82Å; L186-V225 HydrophobicContact CD2-CG2 4.1Å; L186-L259 HydrophobicContact CD2-CD2 4.18Å; L186-Y277 HydrophobicContact CD1-CD2 3.8Å; L186-Y277 HydrophobicContact CD1-CE2 3.6Å
187N90.1Very high89.7Confident12 Ų1215.5 Ų15.56%0.0647%0.071CC..SBendtrans-76.554.9-175.3-15932.1000113.5R192 S248 S258 N260N187-R192 VanDerWaalsContact OD1-CG 3.3Å; N187-R192 WeakPolarHBondContact OD1-CG 3.46Å; N187-S248 PolarHBondContact ND2-O 3.45Å; N187-S258 VanDerWaalsContact CB-O 3.26Å; N187-S258 WeakPolarHBondContact CB-O 3.47Å; N187-S258 PolarHBondContact N-O 2.86Å; N187-N260 HydrophobicContact CB-CB 4.31Å; N187-N260 PolarHBondContact OD1-ND2 3.36Å
188L88Confident89.6Confident7 Ų716.2 Ų16.24%0.0378%0.075CC..SBendtrans-133.3149.417962.9146.9000113.2A153 L186 I190 I191 I251 V257A153-L188 HydrophobicContact CB-CD1 3.44Å; A153-L188 VanDerWaalsContact CB-CD1 3.44Å; L186-L188 HydrophobicContact CB-CD2 3.11Å; L186-L188 HydrophobicContact CB-CG 4.45Å; L186-L188 HydrophobicContact CD1-CD2 3.88Å; L186-L188 HydrophobicContact CG-CD2 4.17Å; L186-L188 PolarHBondContact O-N 2.76Å; L188-I190 PolarHBondContact O-N 3.24Å; L188-I191 WeakPolarHBondContact O-CB 3.23Å; L188-I191 VanDerWaalsContact O-CD1 3.31Å; L188-I191 WeakPolarHBondContact O-CD1 3.38Å; L188-I191 PolarHBondContact O-N 2.89Å; L188-I191 VanDerWaalsContact O-N 3.09Å; L188-I251 HydrophobicContact CB-CD1 4.12Å; L188-V257 HydrophobicContact CB-CG1 4.23Å; L188-V257 HydrophobicContact CD2-CB 4.06Å; L188-V257 HydrophobicContact CD2-CG1 3.75Å; L188-V257 HydrophobicContact CD2-CG2 4.26Å
189G87.7Confident89.2Confident8 Ų813.2 Ų13.28%0.0827%0.065CC..THydrogen-bonded Turntrans45.9-125.9171.800000114.9G152 A153 F156 I191 R192G152-G189 VanDerWaalsContact O-CA 3.29Å; G152-G189 WeakPolarHBondContact O-CA 3.42Å; A153-G189 WeakPolarHBondContact O-CA 3.49Å; A153-G189 PolarHBondContact O-N 3.42Å; F156-G189 VanDerWaalsContact CD1-C 3.48Å; G189-I191 PolarHBondContact O-N 3.3Å; G189-I191 VanDerWaalsContact O-N 3.16Å; G189-R192 WeakPolarHBondContact O-CB 3.42Å; G189-R192 PolarHBondContact O-N 2.98Å; G189-R192 VanDerWaalsContact O-N 3.11Å
190I90.7Very high88.2Confident0 Ų018.9 Ų18.90%09%0.092CC..Hα-helixtrans-58.2-29.2-177.2-172.661.3000113.1V149 G152 F156 F166 L188 R192 V193 V194 V311V149-I190 HydrophobicContact CG1-CG1 4.1Å; G152-I190 PolarHBondContact O-N 3.49Å; F156-I190 HydrophobicContact CD1-CB 4.29Å; F156-I190 HydrophobicContact CE1-CB 4Å; F156-I190 HydrophobicContact CE1-CD1 3.64Å; F156-I190 HydrophobicContact CE1-CG1 4.43Å; F156-I190 HydrophobicContact CZ-CB 4.29Å; F156-I190 HydrophobicContact CZ-CD1 3.61Å; F156-I190 HydrophobicContact CZ-CG1 4.49Å; F166-I190 HydrophobicContact CD1-CD1 4.38Å; F166-I190 HydrophobicContact CE1-CD1 3.79Å; F166-I190 HydrophobicContact CZ-CD1 3.89Å; F166-I190 HydrophobicContact CZ-CG1 4.41Å; L188-I190 PolarHBondContact O-N 3.24Å; I190-R192 VanDerWaalsContact C-N 3.27Å; I190-R192 PolarHBondContact O-N 3.44Å; I190-V193 HydrophobicContact CD1-CB 4.21Å; I190-V193 HydrophobicContact CD1-CG1 4.14Å; I190-V193 WeakPolarHBondContact O-CB 3.29Å; I190-V193 PolarHBondContact O-N 3.43Å; I190-V193 VanDerWaalsContact O-N 3.16Å; I190-V194 HydrophobicContact CG1-CG2 4.41Å; I190-V194 WeakPolarHBondContact O-CG2 3.44Å; I190-V194 PolarHBondContact O-N 2.96Å; I190-V311 HydrophobicContact CD1-CB 3.77Å; I190-V311 HydrophobicContact CD1-CG1 3.69Å; I190-V311 HydrophobicContact CD1-CG2 4.05Å; I190-V311 HydrophobicContact CG1-CB 4Å; I190-V311 HydrophobicContact CG1-CG1 4.45Å; I190-V311 HydrophobicContact CG1-CG2 4.3Å
191I91.7Very high86.6Confident6 Ų621.7 Ų21.73%0.03111%0.105CC..Hα-helixtrans-68.8-29.9-177.9-59.194.5000111T183 S184 L186 L188 G189 V194 G195 N260T183-I191 WeakPolarHBondContact OG1-CG2 3.48Å; S184-I191 WeakPolarHBondContact OG-CD1 3.38Å; S184-I191 WeakPolarHBondContact OG-CG1 3.39Å; L186-I191 VanDerWaalsContact O-CB 3.3Å; L186-I191 WeakPolarHBondContact O-CB 3.21Å; L186-I191 WeakPolarHBondContact O-CG2 3.45Å; L188-I191 WeakPolarHBondContact O-CB 3.23Å; L188-I191 VanDerWaalsContact O-CD1 3.31Å; L188-I191 WeakPolarHBondContact O-CD1 3.38Å; L188-I191 PolarHBondContact O-N 2.89Å; L188-I191 VanDerWaalsContact O-N 3.09Å; G189-I191 PolarHBondContact O-N 3.3Å; G189-I191 VanDerWaalsContact O-N 3.16Å; I191-V194 PolarHBondContact O-N 3.41Å; I191-G195 PolarHBondContact O-N 3.06Å; I191-N260 HydrophobicContact CG2-CB 4.47Å
192R89.2Confident84.8Confident96 Ų9625.2 Ų25.236%0.36213%0.13SC..Hα-helixtrans-63.2-47.9170.6-73.2177.559.8178.5-3.3111.3N187 G189 I190 V194 G195 D196N187-R192 VanDerWaalsContact OD1-CG 3.3Å; N187-R192 WeakPolarHBondContact OD1-CG 3.46Å; G189-R192 WeakPolarHBondContact O-CB 3.42Å; G189-R192 PolarHBondContact O-N 2.98Å; G189-R192 VanDerWaalsContact O-N 3.11Å; I190-R192 VanDerWaalsContact C-N 3.27Å; I190-R192 PolarHBondContact O-N 3.44Å; R192-V194 VanDerWaalsContact C-N 3.32Å; R192-V194 PolarHBondContact O-N 3.39Å; R192-G195 PolarHBondContact O-N 2.84Å; R192-G195 VanDerWaalsContact O-N 3.09Å; R192-D196 WeakPolarHBondContact O-CB 3.47Å; R192-D196 PolarHBondContact O-N 3.07Å
193V89.5Confident82.8Confident14 Ų1432.6 Ų32.69%0.08516%0.158CC..Hα-helixtrans-60-41.7178.2172.90000110.8F156 L158 F166 Y167 I190 A197F156-V193 HydrophobicContact CD1-CG2 4.32Å; F156-V193 HydrophobicContact CE1-CB 4.45Å; F156-V193 HydrophobicContact CE1-CG2 3.86Å; L158-V193 HydrophobicContact CD2-CG1 4.17Å; F166-V193 HydrophobicContact CD1-CG1 3.77Å; F166-V193 HydrophobicContact CE1-CG1 4Å; Y167-V193 HydrophobicContact CD1-CG1 4.16Å; Y167-V193 HydrophobicContact CE1-CB 4.34Å; Y167-V193 HydrophobicContact CE1-CG1 3.45Å; Y167-V193 VanDerWaalsContact CE1-CG1 3.45Å; Y167-V193 WeakPolarHBondContact CE1-O 3.21Å; I190-V193 HydrophobicContact CD1-CB 4.21Å; I190-V193 HydrophobicContact CD1-CG1 4.14Å; I190-V193 WeakPolarHBondContact O-CB 3.29Å; I190-V193 PolarHBondContact O-N 3.43Å; I190-V193 VanDerWaalsContact O-N 3.16Å; V193-A197 WeakPolarHBondContact O-CB 3.31Å; V193-A197 PolarHBondContact O-N 3.05Å; V193-A197 VanDerWaalsContact O-N 3.13Å
194V91.3Very high80.8Confident0 Ų037.1 Ų37.10%019%0.19CC..Hα-helixtrans-64.2-45172.3174.30000111.7V149 F166 L170 I181 T183 I190 I191 R192 A197 L198V149-V194 HydrophobicContact CB-CG2 4.46Å; V149-V194 HydrophobicContact CG1-CG2 3.99Å; F166-V194 HydrophobicContact CE1-CG2 3.86Å; F166-V194 HydrophobicContact CZ-CG2 3.96Å; L170-V194 HydrophobicContact CD2-CB 4.44Å; L170-V194 HydrophobicContact CD2-CG1 4.03Å; L170-V194 HydrophobicContact CD2-CG2 3.93Å; I181-V194 HydrophobicContact CG2-CG1 4.19Å; T183-V194 HydrophobicContact CG2-CG1 4.2Å; I190-V194 HydrophobicContact CG1-CG2 4.41Å; I190-V194 WeakPolarHBondContact O-CG2 3.44Å; I190-V194 PolarHBondContact O-N 2.96Å; I191-V194 PolarHBondContact O-N 3.41Å; R192-V194 VanDerWaalsContact C-N 3.32Å; R192-V194 PolarHBondContact O-N 3.39Å; V194-A197 PolarHBondContact O-N 2.92Å; V194-L198 HydrophobicContact CG1-CD1 4.35Å; V194-L198 WeakPolarHBondContact O-CG 3.36Å; V194-L198 PolarHBondContact O-N 3.11Å
195G87.5Confident78.6Confident0 Ų039.6 Ų39.60%021%0.205CC..Hα-helixtrans-60.5-46.7178.800000112.1I191 R192 A197 L198 Q199 N262I191-G195 PolarHBondContact O-N 3.06Å; R192-G195 PolarHBondContact O-N 2.84Å; R192-G195 VanDerWaalsContact O-N 3.09Å; G195-A197 VanDerWaalsContact C-N 3.34Å; G195-A197 PolarHBondContact O-N 3.19Å; G195-L198 PolarHBondContact O-N 2.57Å; G195-Q199 PolarHBondContact O-N 3.06Å; G195-Q199 VanDerWaalsContact O-N 3.11Å; G195-N262 WeakPolarHBondContact O-CB 3.46Å; G195-N262 PolarHBondContact O-ND2 2.86Å
196D85.4Confident76.3Confident56 Ų5646.7 Ų46.730%0.29924%0.243SC..Hα-helixtrans-61.3-41.9178.8-67.5-7.7000111.2Y167 R192 L198 Q199 E200Y167-D196 WeakPolarHBondContact OH-CB 3.45Å; R192-D196 WeakPolarHBondContact O-CB 3.47Å; R192-D196 PolarHBondContact O-N 3.07Å; D196-L198 VanDerWaalsContact C-N 3.27Å; D196-L198 PolarHBondContact O-N 3.06Å; D196-Q199 PolarHBondContact O-N 2.86Å; D196-Q199 VanDerWaalsContact O-N 3.12Å; D196-E200 PolarHBondContact O-N 3.39Å
197A86Confident73.7Confident3 Ų356.3 Ų56.33%0.02529%0.285CS..Hα-helixtrans-60.5-34.5176.400000113Y167 V171 V193 V194 G195Y167-A197 HydrophobicContact CD1-CB 3.75Å; Y167-A197 HydrophobicContact CD2-CB 4.3Å; Y167-A197 HydrophobicContact CE1-CB 3.91Å; Y167-A197 HydrophobicContact CE2-CB 4.47Å; Y167-A197 HydrophobicContact CG-CB 3.93Å; V171-A197 HydrophobicContact CG2-CB 4.13Å; V193-A197 WeakPolarHBondContact O-CB 3.31Å; V193-A197 PolarHBondContact O-N 3.05Å; V193-A197 VanDerWaalsContact O-N 3.13Å; V194-A197 PolarHBondContact O-N 2.92Å; G195-A197 VanDerWaalsContact C-N 3.34Å; G195-A197 PolarHBondContact O-N 3.19Å
198L82.2Confident71.2Confident17 Ų1767.1 Ų67.19%0.08932%0.324CS..Hα-helixtrans-75.5-31.5176.1-65.4173000112.4I181 V194 G195 D196 S202 L214 C216I181-L198 HydrophobicContact CD1-CD1 4.48Å; I181-L198 HydrophobicContact CD1-CD2 3.89Å; V194-L198 HydrophobicContact CG1-CD1 4.35Å; V194-L198 WeakPolarHBondContact O-CG 3.36Å; V194-L198 PolarHBondContact O-N 3.11Å; G195-L198 PolarHBondContact O-N 2.57Å; D196-L198 VanDerWaalsContact C-N 3.27Å; D196-L198 PolarHBondContact O-N 3.06Å; L198-S202 PolarHBondContact O-OG 2.76Å; L198-L214 HydrophobicContact CD2-CB 4.25Å; L198-L214 HydrophobicContact CD2-CD1 4.06Å; L198-C216 HydrophobicContact CD1-CB 3.74Å
199Q76.9Confident68.9Low40 Ų4075 Ų7519%0.18736%0.363CS..Hα-helixtrans-71-45.2-179.1-172.7172.21.300112.3G195 D196 Q201 S202 Y203 N262G195-Q199 PolarHBondContact O-N 3.06Å; G195-Q199 VanDerWaalsContact O-N 3.11Å; D196-Q199 PolarHBondContact O-N 2.86Å; D196-Q199 VanDerWaalsContact O-N 3.12Å; Q199-Q201 PolarHBondContact O-N 3.07Å; Q199-S202 VanDerWaalsContact O-CB 3.22Å; Q199-S202 WeakPolarHBondContact O-CB 3.35Å; Q199-S202 PolarHBondContact O-N 3.09Å; Q199-S202 PolarHBondContact O-OG 3.19Å; Q199-Y203 HydrophobicContact CG-CE2 4.06Å; Q199-Y203 WeakPolarHBondContact O-CD2 3.5Å; Q199-N262 PolarHBondContact OE1-ND2 3.41Å
200E67.7Low66.7Low120 Ų12078.9 Ų78.956%0.56138%0.382SS*.Hα-helixtrans-57.9-35.5-178.4-76.9-179173.700112.9D196 S202 Y203D196-E200 PolarHBondContact O-N 3.39Å; E200-S202 VanDerWaalsContact C-N 3.28Å; E200-S202 PolarHBondContact O-N 3.02Å; E200-Y203 PolarHBondContact O-N 2.64Å
201Q59.9Low64.4Low63 Ų6384.3 Ų84.329%0.29442%0.42SS..Hα-helixtrans-65.5-30.9176.7-72.1-66.5-43.700113.4V171 Q199 Y203 S204 T205V171-Q201 HydrophobicContact CG1-CG 3.63Å; V171-Q201 HydrophobicContact CG2-CG 4.38Å; Q199-Q201 PolarHBondContact O-N 3.07Å; Q201-Y203 PolarHBondContact O-N 3.26Å; Q201-Y203 VanDerWaalsContact O-N 3.13Å; Q201-S204 PolarHBondContact O-N 3.47Å; Q201-S204 VanDerWaalsContact O-N 3.17Å; Q201-T205 PolarHBondContact O-OG1 3.06Å
202S56.3Low62.3Low75 Ų7588.3 Ų88.352%0.52444%0.438SS..Hα-helixtrans-63.1-21.4-178.3-53.40000112.5L198 Q199 E200L198-S202 PolarHBondContact O-OG 2.76Å; Q199-S202 VanDerWaalsContact O-CB 3.22Å; Q199-S202 WeakPolarHBondContact O-CB 3.35Å; Q199-S202 PolarHBondContact O-N 3.09Å; Q199-S202 PolarHBondContact O-OG 3.19Å; E200-S202 VanDerWaalsContact C-N 3.28Å; E200-S202 PolarHBondContact O-N 3.02Å
203Y53.1Low61Low158 Ų15888.1 Ų88.162%0.6244%0.442SS*.Hα-helixtrans-95-20.2179.3-66.7-79.8000114Q199 E200 Q201Q199-Y203 HydrophobicContact CG-CE2 4.06Å; Q199-Y203 WeakPolarHBondContact O-CD2 3.5Å; E200-Y203 PolarHBondContact O-N 2.64Å; Q201-Y203 PolarHBondContact O-N 3.26Å; Q201-Y203 VanDerWaalsContact O-N 3.13Å
204S52.2Low60.3Low96 Ų9689.3 Ų89.367%0.67145%0.447SS*.Hα-helixtrans-95.8-10.1-166.6-170.40000115.4Q201Q201-S204 PolarHBondContact O-N 3.47Å; Q201-S204 VanDerWaalsContact O-N 3.17Å
205T42.6Very low60.1Low60 Ų6092.1 Ų92.137%0.36846%0.458SS..SBendtrans-118.9137.6-177.318.80000113.2Q201 K207 L210Q201-T205 PolarHBondContact O-OG1 3.06Å; T205-K207 PolarHBondContact O-N 3.36Å; T205-K207 VanDerWaalsContact O-N 3.1Å; T205-L210 VanDerWaalsContact CB-CD1 3.42Å; T205-L210 HydrophobicContact CG2-CD1 3.39Å
206D42.5Very low60.3Low150 Ų15092.1 Ų92.180%0.80246%0.458SS*.  trans-45.3117179.4-99.9-36.3000111.2R208 M209D206-R208 PolarHBondContact O-N 3.12Å; D206-M209 PolarHBondContact O-N 3.47Å
207K38Very low60.7Low202 Ų20289.5 Ų89.588%0.87844%0.444SS*.THydrogen-bonded Turntrans-55.23.5-169.2-73.3179175176.10116.2T205T205-K207 PolarHBondContact O-N 3.36Å; T205-K207 VanDerWaalsContact O-N 3.1Å
208R37.2Very low61.2Low238 Ų23889.4 Ų89.490%0.89844%0.443SS*.THydrogen-bonded Turntrans-114.2-16.5-174-81.2-177.9163.4176.1-4115.8D206D206-R208 PolarHBondContact O-N 3.12Å
209M39.8Very low61.8Low172 Ų17288.9 Ų88.985%0.84744%0.44SS*.THydrogen-bonded Turntrans-114.2-3.1-178.6-69.7-156.587.300115.6D206D206-M209 PolarHBondContact O-N 3.47Å
210L40.1Very low62.5Low91 Ų9187 Ų8748%0.47643%0.431SS..  trans-124.131.8-171.9-94.8141000114.9T205 Q212T205-L210 VanDerWaalsContact CB-CD1 3.42Å; T205-L210 HydrophobicContact CG2-CD1 3.39Å; L210-Q212 PolarHBondContact O-N 3.1Å; L210-Q212 VanDerWaalsContact O-N 3.11Å
211S42.5Very low63.7Low114 Ų11481.5 Ų81.580%0.79741%0.406SS*.  trans-69.37.5163.357.30000113.7Q213S211-Q213 PolarHBondContact O-N 3.48Å; S211-Q213 VanDerWaalsContact O-N 3.09Å
212Q48.9Very low65.3Low90 Ų9078.7 Ų78.742%0.42139%0.393SS..SBendtrans-82.664.5161.2-68.9-170.3-5.600109.5P140 L210 L214P140-Q212 HydrophobicContact CG-CG 4.33Å; L210-Q212 PolarHBondContact O-N 3.1Å; L210-Q212 VanDerWaalsContact O-N 3.11Å; Q212-L214 PolarHBondContact O-N 3.05Å
213Q60.7Low66.8Low92 Ų9275.3 Ų75.343%0.4337%0.37SS..  trans-55.9113.8-179.9-152170.3-1.200109.3S211 R215S211-Q213 PolarHBondContact O-N 3.48Å; S211-Q213 VanDerWaalsContact O-N 3.09Å; Q213-R215 PolarHBondContact O-N 2.96Å; Q213-R215 VanDerWaalsContact O-N 3.13Å
214L76.3Confident68.6Low39 Ų3968.4 Ų68.420%0.20434%0.343CS..  trans-39.6120.4170.6-84.1151.1000109.6A174 Q175 L198 Q212 C216A174-L214 HydrophobicContact CB-CD2 3.36Å; Q175-L214 HydrophobicContact CG-CD1 4.01Å; L198-L214 HydrophobicContact CD2-CB 4.25Å; L198-L214 HydrophobicContact CD2-CD1 4.06Å; Q212-L214 PolarHBondContact O-N 3.05Å; L214-C216 PolarHBondContact O-N 3.45Å
215R87.2Confident70.5Confident59 Ų5963.9 Ų63.922%0.22331%0.311CS..EExtended strand (participates in β ladder)trans-86.1105.9-174.4-64-175-174.6-10911109K136 M137 E139 W180 I181 Q213K136-R215 PolarHBondContact O-NH2 3.25Å; M137-R215 VanDerWaalsContact CA-CZ 3.49Å; M137-R215 PolarHBondContact O-NE 3.29Å; E139-R215 PolarHBondContact O-NH2 3.14Å; W180-R215 WeakPolarHBondContact CA-O 3.35Å; W180-R215 HydrophobicContact CG-CB 4.49Å; I181-R215 PolarHBondContact N-O 3.24Å; Q213-R215 PolarHBondContact O-N 2.96Å; Q213-R215 VanDerWaalsContact O-N 3.13Å
216C91.1Very high72.8Confident0 Ų062.7 Ų62.70%030%0.302CS..EExtended strand (participates in β ladder)trans-102.9123175.2-163.20000110.1I181 L198 L214 H263 T264 H265I181-C216 HydrophobicContact CB-CB 4.47Å; I181-C216 CarbonylContact O-C 3.45Å; I181-C216 WeakPolarHBondContact O-CA 3.3Å; L198-C216 HydrophobicContact CD1-CB 3.74Å; L214-C216 PolarHBondContact O-N 3.45Å; C216-H263 PolarHBondContact SG-CD2 3.46Å; C216-H263 PolarHBondContact SG-NE2 3.07Å; C216-T264 PolarHBondContact N-OG1 3.1Å; C216-T264 PolarHBondContact O-N 3.1Å; C216-T264 PolarHBondContact O-OG1 2.95Å; C216-H265 PolarHBondContact O-N 2.78Å; C216-H265 VanDerWaalsContact O-N 3.13Å
217I94.8Very high75.1Confident1 Ų159.8 Ų59.81%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-113120.1-172.7-53.3166.9000108.6M131 M137 W180 I181 V182 T183 I219 H265 I267M131-I217 HydrophobicContact CE-CD1 4.05Å; M137-I217 HydrophobicContact CE-CD1 3.66Å; M137-I217 HydrophobicContact SD-CD1 4.43Å; W180-I217 HydrophobicContact CB-CD1 4.3Å; W180-I217 HydrophobicContact CD2-CD1 4.22Å; W180-I217 HydrophobicContact CE3-CD1 4.12Å; W180-I217 HydrophobicContact CG-CD1 4.33Å; I181-I217 PolarHBondContact O-N 2.94Å; V182-I217 WeakPolarHBondContact CA-O 3.27Å; V182-I217 HydrophobicContact CG2-CB 4.38Å; V182-I217 HydrophobicContact CG2-CD1 4.3Å; T183-I217 PolarHBondContact N-O 3.24Å; I217-I219 HydrophobicContact CG2-CG1 4.32Å; I217-H265 CarbonylContact C-O 3.28Å; I217-H265 WeakPolarHBondContact CA-O 3.36Å; I217-H265 HydrophobicContact CG1-CB 4.47Å; I217-I267 HydrophobicContact CG2-CD1 4.5Å
218G94.9Very high77.5Confident0 Ų051.2 Ų51.20%025%0.249CC..EExtended strand (participates in β ladder)trans-97.6115.2176.200000111.6H265 Y266 I267G218-H265 PolarHBondContact N-O 2.99Å; G218-Y266 CarbonylContact O-C 3.51Å; G218-Y266 WeakPolarHBondContact O-CA 3.05Å; G218-I267 PolarHBondContact O-N 2.99Å
219I94.8Very high79.9Confident6 Ų645 Ų453%0.03123%0.233CC..EExtended strand (participates in β ladder)trans-104.297.7174.3-56.4175.5000108.4V182 T183 S184 I217 I267 V269 F285 R286 L289V182-I219 HydrophobicContact CG1-CD1 3.71Å; V182-I219 HydrophobicContact CG1-CG1 4.25Å; T183-I219 PolarHBondContact O-N 3.01Å; S184-I219 WeakPolarHBondContact CA-O 3.16Å; S184-I219 CarbonylContact O-C 3.55Å; I217-I219 HydrophobicContact CG2-CG1 4.32Å; I219-I267 WeakPolarHBondContact CA-O 3.45Å; I219-I267 HydrophobicContact CG1-CB 4.46Å; I219-V269 HydrophobicContact CG2-CG2 3.95Å; I219-F285 HydrophobicContact CG2-CD1 4Å; I219-F285 HydrophobicContact CG2-CE1 4.48Å; I219-R286 HydrophobicContact CD1-CB 4.05Å; I219-R286 HydrophobicContact CD1-CG 3.95Å; I219-R286 HydrophobicContact CG2-CB 4.32Å; I219-L289 HydrophobicContact CD1-CD2 3.75Å
220A92.9Very high82.3Confident0 Ų040.2 Ų40.20%021%0.214CC..EExtended strand (participates in β ladder)trans-113.8145.8-171.500000111.8S184 L186 W222 V225 I267 F268 V269S184-A220 WeakPolarHBondContact O-CA 3.48Å; S184-A220 VanDerWaalsContact O-CB 3.23Å; S184-A220 WeakPolarHBondContact O-CB 3.36Å; L186-A220 HydrophobicContact CD2-CB 3.91Å; L186-A220 HydrophobicContact CG-CB 4.09Å; A220-W222 PolarHBondContact O-N 3.49Å; A220-V225 HydrophobicContact CB-CG2 4.34Å; A220-I267 PolarHBondContact N-O 3.4Å; A220-F268 HydrophobicContact CB-CD1 3.83Å; A220-F268 HydrophobicContact CB-CE1 3.93Å; A220-F268 CarbonylContact O-C 3.52Å; A220-F268 WeakPolarHBondContact O-CA 3.45Å; A220-V269 PolarHBondContact O-N 3.47Å
221P93Very high84.7Confident6 Ų635.9 Ų35.94%0.03919%0.191CC..EExtended strand (participates in β ladder)trans-71.6121.1169.127.8-29.5000110.1G223 Y224 V269 Y277 C280P221-G223 PolarHBondContact O-N 3.44Å; P221-Y224 PolarHBondContact O-N 3.09Å; P221-V269 WeakPolarHBondContact CA-O 3.42Å; P221-Y277 HydrophobicContact CG-CD2 4.3Å; P221-C280 HydrophobicContact CB-CB 4.27Å
222W92.4Very high86.9Confident3 Ų332.2 Ų32.21%0.01116%0.164CC..G310 helixtrans-53.9-40.8-177.4177.5-111.8000112.7A96 R117 A220 Y224 V225 R228 L231 V232 F268 V269 D270A96-W222 HydrophobicContact CB-CH2 3.6Å; A96-W222 HydrophobicContact CB-CZ2 4.13Å; A96-W222 HydrophobicContact CB-CZ3 4.18Å; R117-W222 HydrophobicContact CG-CD2 4.19Å; R117-W222 HydrophobicContact CG-CE3 4.4Å; R117-W222 HydrophobicContact CG-CG 4.38Å; A220-W222 PolarHBondContact O-N 3.49Å; W222-Y224 PolarHBondContact O-N 3.2Å; W222-Y224 VanDerWaalsContact O-N 3.09Å; W222-V225 PolarHBondContact O-N 3.34Å; W222-R228 HydrophobicContact CD2-CB 4.49Å; W222-R228 HydrophobicContact CE3-CB 4.49Å; W222-R228 HydrophobicContact CH2-CB 3.93Å; W222-R228 WeakPolarHBondContact CH2-O 3.36Å; W222-R228 HydrophobicContact CZ2-CB 3.86Å; W222-R228 HydrophobicContact CZ2-CG 4.36Å; W222-R228 HydrophobicContact CZ3-CB 4.24Å; W222-L231 HydrophobicContact CH2-CB 4.02Å; W222-L231 HydrophobicContact CZ3-CB 4.35Å; W222-L231 HydrophobicContact CZ3-CD1 4.23Å; W222-V232 HydrophobicContact CH2-CG2 4.17Å; W222-V232 HydrophobicContact CZ2-CG2 3.8Å; W222-F268 HydrophobicContact CB-CB 4.22Å; W222-F268 HydrophobicContact CD2-CB 4.45Å; W222-F268 HydrophobicContact CE3-CB 3.65Å; W222-F268 HydrophobicContact CE3-CD1 4.29Å; W222-F268 AromaticContact CE3-CD2 3.89Å; W222-F268 HydrophobicContact CE3-CD2 3.89Å; W222-F268 AromaticContact CE3-CG 3.68Å; W222-F268 HydrophobicContact CE3-CG 3.68Å; W222-F268 HydrophobicContact CZ3-CB 4.42Å; W222-F268 AromaticContact CZ3-CD2 3.84Å; W222-F268 HydrophobicContact CZ3-CD2 3.84Å; W222-F268 HydrophobicContact CZ3-CE2 4.34Å; W222-F268 HydrophobicContact CZ3-CG 4.12Å; W222-V269 PolarHBondContact N-O 2.9Å; W222-D270 HydrophobicContact CB-CB 3.89Å; W222-D270 HydrophobicContact CG-CB 4.33Å
223G88.8Confident88.6Confident5 Ų528.8 Ų28.85%0.05215%0.151CC..G310 helixtrans-66.3-9-179.100000116P221 R228 K273 L275P221-G223 PolarHBondContact O-N 3.44Å; G223-R228 PolarHBondContact O-NH1 3.37Å; G223-R228 VanDerWaalsContact O-NH1 3.07Å; G223-K273 WeakPolarHBondContact CA-O 3.39Å; G223-L275 PolarHBondContact O-N 3.17Å
224Y90.4Very high89.5Confident12 Ų1230 Ų305%0.04717%0.165CC..G310 helixtrans-114.82.4-179.8-152.2-109.8000113.8L186 P221 W222 Q255 P256 V257 Y277L186-Y224 HydrophobicContact CD1-CD1 3.82Å; P221-Y224 PolarHBondContact O-N 3.09Å; W222-Y224 PolarHBondContact O-N 3.2Å; W222-Y224 VanDerWaalsContact O-N 3.09Å; Y224-Q255 WeakPolarHBondContact CE2-O 3.23Å; Y224-Q255 PolarHBondContact OH-O 2.72Å; Y224-P256 CarbonylContact O-C 3.48Å; Y224-P256 VanDerWaalsContact O-CA 3.29Å; Y224-P256 WeakPolarHBondContact O-CA 3.34Å; Y224-P256 VanDerWaalsContact O-CB 3.3Å; Y224-P256 WeakPolarHBondContact O-CB 3.31Å; Y224-V257 HydrophobicContact CD1-CG2 4.46Å; Y224-V257 HydrophobicContact CE1-CB 4.3Å; Y224-V257 HydrophobicContact CE1-CG2 3.7Å; Y224-V257 PolarHBondContact O-N 3.16Å; Y224-Y277 AromaticContact CD1-CD2 3.77Å; Y224-Y277 HydrophobicContact CD1-CD2 3.77Å; Y224-Y277 HydrophobicContact CD1-CG 4.17Å; Y224-Y277 HydrophobicContact CE1-CD2 4.08Å; Y224-Y277 HydrophobicContact CE1-CG 4.13Å; Y224-Y277 HydrophobicContact CG-CD2 4.44Å
225V92.1Very high89.8Confident1 Ų133.2 Ų33.21%0.00618%0.182CC..BIsolated β-bridgetrans-78.4126.5176177.10000110.1L186 A220 W222 R228 L259 F268L186-V225 HydrophobicContact CD2-CG2 4.1Å; A220-V225 HydrophobicContact CB-CG2 4.34Å; W222-V225 PolarHBondContact O-N 3.34Å; V225-R228 HydrophobicContact CB-CB 4.22Å; V225-R228 HydrophobicContact CG1-CB 4.27Å; V225-L259 HydrophobicContact CG1-CD1 4.43Å; V225-L259 HydrophobicContact CG1-CD2 3.78Å; V225-L259 HydrophobicContact CG1-CG 4.05Å; V225-L259 HydrophobicContact CG2-CD2 4.08Å; V225-F268 HydrophobicContact CG2-CD1 3.81Å; V225-F268 HydrophobicContact CG2-CE1 3.72Å
226L91Very high89.3Confident35 Ų3536.2 Ų36.218%0.18320%0.195CC..THydrogen-bonded Turntrans-68.7141.9173.6-174.268000110.6R228 Y245 P256 V257L226-R228 PolarHBondContact O-N 3.15Å; L226-R228 VanDerWaalsContact O-N 3.14Å; L226-Y245 WeakPolarHBondContact O-CE2 3.41Å; L226-Y245 PolarHBondContact O-OH 3.48Å; L226-P256 HydrophobicContact CB-CB 4.15Å; L226-P256 HydrophobicContact CD1-CB 4.26Å; L226-V257 VanDerWaalsContact CB-C 3.48Å; L226-V257 WeakPolarHBondContact CB-O 3.32Å; L226-V257 PolarHBondContact N-O 3.34Å
227N89.5Confident88.7Confident89 Ų8942.8 Ų42.848%0.47623%0.225SC..THydrogen-bonded Turntrans55.225.5-179.1-62.2-18.6000114.5N229 T230 Y245N227-N229 PolarHBondContact O-N 3.29Å; N227-T230 HydrophobicContact CB-CG2 4.36Å; N227-T230 PolarHBondContact O-N 3.31Å; N227-T230 PolarHBondContact O-OG1 2.86Å; N227-Y245 HydrophobicContact CB-CE2 4.18Å
228R89.6Confident87.8Confident23 Ų2345.2 Ų45.29%0.08724%0.238CC..G310 helixtrans-51.5-28.2-179.563.8172.8170.2-96.1-3.1114.8E62 W222 G223 V225 L226 T230 L231E62-R228 IonicContact OE1-NH2 3.19Å; E62-R228 IonicContact OE2-CZ 3.88Å; E62-R228 IonicContact OE2-NH2 3.81Å; E62-R228 PolarHBondContact OE2-NH2 3.18Å; W222-R228 HydrophobicContact CD2-CB 4.49Å; W222-R228 HydrophobicContact CE3-CB 4.49Å; W222-R228 HydrophobicContact CH2-CB 3.93Å; W222-R228 WeakPolarHBondContact CH2-O 3.36Å; W222-R228 HydrophobicContact CZ2-CB 3.86Å; W222-R228 HydrophobicContact CZ2-CG 4.36Å; W222-R228 HydrophobicContact CZ3-CB 4.24Å; G223-R228 PolarHBondContact O-NH1 3.37Å; G223-R228 VanDerWaalsContact O-NH1 3.07Å; V225-R228 HydrophobicContact CB-CB 4.22Å; V225-R228 HydrophobicContact CG1-CB 4.27Å; L226-R228 PolarHBondContact O-N 3.15Å; L226-R228 VanDerWaalsContact O-N 3.14Å; R228-T230 PolarHBondContact O-N 3.12Å; R228-L231 WeakPolarHBondContact O-CB 3.48Å; R228-L231 PolarHBondContact O-N 2.8Å
229N88Confident87.1Confident106 Ų10646.3 Ų46.357%0.56724%0.244SC*.G310 helixtrans-63.8-24.8180-61.5-13.7000112.4N227 L231 V232N227-N229 PolarHBondContact O-N 3.29Å; N229-L231 VanDerWaalsContact C-N 3.26Å; N229-L231 PolarHBondContact O-N 3Å; N229-V232 PolarHBondContact O-N 3.13Å
230T89.1Confident86.4Confident72 Ų7247.3 Ų47.344%0.44225%0.248SC..G310 helixtrans-74.1-19.2175.9680000112.6N227 R228 I243N227-T230 HydrophobicContact CB-CG2 4.36Å; N227-T230 PolarHBondContact O-N 3.31Å; N227-T230 PolarHBondContact O-OG1 2.86Å; R228-T230 PolarHBondContact O-N 3.12Å; T230-I243 VanDerWaalsContact O-CG2 3.29Å; T230-I243 WeakPolarHBondContact O-CG2 3.31Å
231L90.3Very high85.9Confident0 Ų053.2 Ų53.20%028%0.275CS..G310 helixtrans-90.5-6.7179.6-59.5175.8000112.6A96 I100 F115 W222 R228 N229 I243 Y245 L259 F268A96-L231 WeakPolarHBondContact CB-O 3.32Å; I100-L231 HydrophobicContact CD1-CD1 4.3Å; I100-L231 HydrophobicContact CD1-CD2 3.82Å; I100-L231 HydrophobicContact CG1-CD2 3.96Å; F115-L231 HydrophobicContact CE2-CB 4.08Å; F115-L231 HydrophobicContact CZ-CB 4.2Å; F115-L231 HydrophobicContact CZ-CD2 4.35Å; W222-L231 HydrophobicContact CH2-CB 4.02Å; W222-L231 HydrophobicContact CZ3-CB 4.35Å; W222-L231 HydrophobicContact CZ3-CD1 4.23Å; R228-L231 WeakPolarHBondContact O-CB 3.48Å; R228-L231 PolarHBondContact O-N 2.8Å; N229-L231 VanDerWaalsContact C-N 3.26Å; N229-L231 PolarHBondContact O-N 3Å; L231-I243 HydrophobicContact CD2-CG2 4.3Å; L231-Y245 HydrophobicContact CD1-CD2 4.41Å; L231-Y245 HydrophobicContact CD1-CE2 4.38Å; L231-Y245 HydrophobicContact CD2-CD2 3.96Å; L231-Y245 HydrophobicContact CG-CD2 4.22Å; L231-L259 HydrophobicContact CD1-CD1 4.12Å; L231-F268 HydrophobicContact CD1-CE2 4.12Å; L231-F268 HydrophobicContact CD1-CZ 4.32Å
232V89.8Confident85.5Confident38 Ų3855 Ų5523%0.2329%0.287CS..SBendtrans-83.5122.2176.5179.30000108.2N95 A96 W222 N229N95-V232 HydrophobicContact CB-CG1 4.33Å; A96-V232 HydrophobicContact CB-CG2 4.37Å; W222-V232 HydrophobicContact CH2-CG2 4.17Å; W222-V232 HydrophobicContact CZ2-CG2 3.8Å; N229-V232 PolarHBondContact O-N 3.13Å
233A84.2Confident85.4Confident17 Ų1755.9 Ų55.914%0.1429%0.291CS..  trans-70.7135.4176.300000110.3N95 D238 H239N95-A233 PolarHBondContact O-N 2.89Å; A233-D238 HydrophobicContact CB-CB 3.91Å; A233-H239 WeakPolarHBondContact CB-CE1 3.33Å
234T80.1Confident85.4Confident118 Ų11859.5 Ų59.572%0.72431%0.314SS*.SBendtrans-92.8-34.7173.456.70000111.3D238T234-D238 PolarHBondContact N-OD2 3.42Å; T234-D238 PolarHBondContact OG1-OD2 3.36Å
235N80.9Confident85.4Confident106 Ų10659 Ų5957%0.56731%0.312SS*.SBendtrans-126.9156.9-179.5-66.5-35.7000111E237 D238N235-E237 PolarHBondContact O-N 3.36Å; N235-D238 PolarHBondContact N-OD2 3.31Å; N235-D238 WeakPolarHBondContact O-CB 3.2Å; N235-D238 PolarHBondContact O-N 2.87Å; N235-D238 VanDerWaalsContact O-N 3.11Å
236Y77.8Confident85.3Confident122 Ų12262.9 Ų62.948%0.47834%0.336SS..G310 helixtrans-59.8-31.5176.9-173.2-99.5000112.9I27 L31 D238 H239 F240I27-Y236 HydrophobicContact CG2-CD2 4.5Å; I27-Y236 HydrophobicContact CG2-CE2 3.56Å; L31-Y236 HydrophobicContact CD1-CE2 4.01Å; Y236-D238 VanDerWaalsContact C-N 3.27Å; Y236-D238 PolarHBondContact O-N 2.95Å; Y236-H239 PolarHBondContact O-CD2 2.83Å; Y236-H239 PolarHBondContact O-N 3.42Å; Y236-F240 AromaticContact CD1-CE2 3.86Å; Y236-F240 HydrophobicContact CD1-CE2 3.86Å; Y236-F240 AromaticContact CE1-CE2 3.55Å; Y236-F240 HydrophobicContact CE1-CE2 3.55Å; Y236-F240 AromaticContact CE1-CZ 3.96Å; Y236-F240 HydrophobicContact CE1-CZ 3.96Å
237E77.4Confident85.1Confident139 Ų13962.6 Ų62.665%0.6534%0.336SS*.G310 helixtrans-67.1-26178.3-64.8-162.6157.900113.3N235 H239 F240N235-E237 PolarHBondContact O-N 3.36Å; E237-H239 PolarHBondContact O-N 3.1Å; E237-H239 VanDerWaalsContact O-N 3.09Å; E237-F240 PolarHBondContact O-N 2.88Å
238D77.1Confident84.9Confident52 Ų5260.2 Ų60.228%0.27833%0.326SS..G310 helixtrans-61-24.6-179.8-59.6-17.7000111.2A233 T234 N235 Y236 F240A233-D238 HydrophobicContact CB-CB 3.91Å; T234-D238 PolarHBondContact N-OD2 3.42Å; T234-D238 PolarHBondContact OG1-OD2 3.36Å; N235-D238 PolarHBondContact N-OD2 3.31Å; N235-D238 WeakPolarHBondContact O-CB 3.2Å; N235-D238 PolarHBondContact O-N 2.87Å; N235-D238 VanDerWaalsContact O-N 3.11Å; Y236-D238 VanDerWaalsContact C-N 3.27Å; Y236-D238 PolarHBondContact O-N 2.95Å; D238-F240 VanDerWaalsContact C-N 3.32Å; D238-F240 PolarHBondContact O-N 3.49Å
239H80.3Confident84.4Confident23 Ų2363.6 Ų63.611%0.10635%0.349CS..G310 helixtrans-74.9-15.9178.4-59.6-60000114.4I27 F97 A233 Y236 E237I27-H239 HydrophobicContact CD1-CB 3.89Å; I27-H239 HydrophobicContact CG1-CB 4.14Å; F97-H239 AromaticContact CD1-CE1 3.73Å; F97-H239 AromaticContact CD2-ND1 3.67Å; F97-H239 AromaticContact CE1-CE1 3.24Å; F97-H239 WeakPolarHBondContact CE1-CE1 3.38Å; F97-H239 AromaticContact CE1-ND1 3.74Å; F97-H239 AromaticContact CE1-NE2 3.64Å; F97-H239 HydrophobicContact CE2-CB 3.99Å; F97-H239 AromaticContact CE2-CE1 3.74Å; F97-H239 AromaticContact CE2-CG 3.54Å; F97-H239 AromaticContact CE2-ND1 3.37Å; F97-H239 WeakPolarHBondContact CE2-ND1 3.37Å; F97-H239 AromaticContact CG-ND1 4Å; F97-H239 HydrophobicContact CZ-CB 4.5Å; F97-H239 AromaticContact CZ-CD2 3.64Å; F97-H239 AromaticContact CZ-CE1 3.25Å; F97-H239 WeakPolarHBondContact CZ-CE1 3.44Å; F97-H239 AromaticContact CZ-CG 3.63Å; F97-H239 AromaticContact CZ-ND1 3.4Å; F97-H239 WeakPolarHBondContact CZ-ND1 3.22Å; F97-H239 AromaticContact CZ-NE2 3.4Å; F97-H239 WeakPolarHBondContact CZ-NE2 3.43Å; F97-H239 PolarHBondContact O-ND1 3.17Å; A233-H239 WeakPolarHBondContact CB-CE1 3.33Å; Y236-H239 PolarHBondContact O-CD2 2.83Å; Y236-H239 PolarHBondContact O-N 3.42Å; E237-H239 PolarHBondContact O-N 3.1Å; E237-H239 VanDerWaalsContact O-N 3.09Å
240F79.5Confident84.1Confident26 Ų2663.3 Ų63.311%0.11435%0.351CS..THydrogen-bonded Turntrans-86.6-22.9-178.7-72.7-91.9000113.1R20 K23 E24 I27 Y236 E237 D238R20-F240 HydrophobicContact CG-CE1 4.36Å; K23-F240 HydrophobicContact CB-CD1 4.34Å; K23-F240 HydrophobicContact CB-CE1 4.33Å; K23-F240 HydrophobicContact CD-CD1 4.39Å; K23-F240 PolarHBondContact NZ-O 3.36Å; E24-F240 HydrophobicContact CG-CE1 3.78Å; E24-F240 HydrophobicContact CG-CZ 3.7Å; I27-F240 HydrophobicContact CD1-CD1 4.19Å; I27-F240 HydrophobicContact CD1-CD2 3.97Å; I27-F240 HydrophobicContact CD1-CE1 3.84Å; I27-F240 HydrophobicContact CD1-CE2 3.61Å; I27-F240 HydrophobicContact CD1-CG 4.27Å; I27-F240 HydrophobicContact CD1-CZ 3.55Å; Y236-F240 AromaticContact CD1-CE2 3.86Å; Y236-F240 HydrophobicContact CD1-CE2 3.86Å; Y236-F240 AromaticContact CE1-CE2 3.55Å; Y236-F240 HydrophobicContact CE1-CE2 3.55Å; Y236-F240 AromaticContact CE1-CZ 3.96Å; Y236-F240 HydrophobicContact CE1-CZ 3.96Å; E237-F240 PolarHBondContact O-N 2.88Å; D238-F240 VanDerWaalsContact C-N 3.32Å; D238-F240 PolarHBondContact O-N 3.49Å
241H82.5Confident83.5Confident124 Ų12463.4 Ų63.457%0.57435%0.348SS*.SBendtrans-110.7146.4-173.5-62.2-72.1000111.4I243H241-I243 PolarHBondContact O-N 3.31Å
242P85.4Confident82.9Confident44 Ų4468.2 Ų68.229%0.28637%0.37SS..EExtended strand (participates in β ladder)trans-62.5134172.2-19.432.1000111.3Q99 E101 P112Q99-P242 HydrophobicContact CB-CB 4.29Å; Q99-P242 CarbonylContact O-C 3.47Å; Q99-P242 WeakPolarHBondContact O-CA 3.41Å; E101-P242 HydrophobicContact CB-CB 3.85Å; P112-P242 HydrophobicContact CB-CB 4.37Å; P112-P242 HydrophobicContact CB-CG 4.29Å
243I89.3Confident82Confident22 Ų2272.4 Ų72.411%0.11340%0.396CS..EExtended strand (participates in β ladder)trans-89123.1178.3-59.2175.3000108.5Q99 I100 E101 F115 T230 L231 H241 Y245Q99-I243 PolarHBondContact O-N 2.81Å; I100-I243 WeakPolarHBondContact CA-O 3.45Å; E101-I243 PolarHBondContact N-O 2.91Å; F115-I243 HydrophobicContact CE1-CD1 4.18Å; F115-I243 HydrophobicContact CZ-CD1 3.94Å; T230-I243 VanDerWaalsContact O-CG2 3.29Å; T230-I243 WeakPolarHBondContact O-CG2 3.31Å; L231-I243 HydrophobicContact CD2-CG2 4.3Å; H241-I243 PolarHBondContact O-N 3.31Å; I243-Y245 PolarHBondContact O-N 3.21Å
244P89.2Confident81.5Confident81 Ų8173.5 Ų73.553%0.52641%0.41SS..EExtended strand (participates in β ladder)trans-68.8128.417727.5-33000110.7E101 I103E101-P244 CarbonylContact O-C 3.58Å; E101-P244 WeakPolarHBondContact O-CA 3.43Å; I103-P244 HydrophobicContact CD1-CB 3.73Å; I103-P244 HydrophobicContact CG1-CB 4.12Å
245Y90.9Very high81.6Confident1 Ų172.2 Ų72.20%0.00440%0.395CS..EExtended strand (participates in β ladder)trans-130.1124.1178-175.1-88000111.1I100 E101 F102 I103 L226 N227 L231 I243 V247 S258 L259I100-Y245 VanDerWaalsContact CG2-CB 3.49Å; I100-Y245 HydrophobicContact CG2-CG 4.3Å; E101-Y245 PolarHBondContact O-N 2.91Å; F102-Y245 WeakPolarHBondContact CA-O 3.5Å; F102-Y245 AromaticContact CD1-CD1 3.87Å; F102-Y245 HydrophobicContact CD1-CD1 3.87Å; F102-Y245 AromaticContact CE1-CD1 3.7Å; F102-Y245 HydrophobicContact CE1-CD1 3.7Å; F102-Y245 HydrophobicContact CE1-CE1 4.32Å; F102-Y245 HydrophobicContact CE1-CG 4.47Å; I103-Y245 PolarHBondContact N-O 3.31Å; L226-Y245 WeakPolarHBondContact O-CE2 3.41Å; L226-Y245 PolarHBondContact O-OH 3.48Å; N227-Y245 HydrophobicContact CB-CE2 4.18Å; L231-Y245 HydrophobicContact CD1-CD2 4.41Å; L231-Y245 HydrophobicContact CD1-CE2 4.38Å; L231-Y245 HydrophobicContact CD2-CD2 3.96Å; L231-Y245 HydrophobicContact CG-CD2 4.22Å; I243-Y245 PolarHBondContact O-N 3.21Å; Y245-V247 HydrophobicContact CD1-CG2 4.31Å; Y245-V247 HydrophobicContact CE1-CG2 4.42Å; Y245-S258 WeakPolarHBondContact CE1-OG 3.47Å; Y245-S258 PolarHBondContact OH-OG 2.81Å; Y245-L259 HydrophobicContact CD1-CD1 4.44Å; Y245-L259 HydrophobicContact CE1-CB 3.87Å; Y245-L259 HydrophobicContact CE1-CD1 4.11Å; Y245-L259 HydrophobicContact CE1-CG 3.99Å; Y245-L259 HydrophobicContact CE2-CD1 4.23Å; Y245-L259 PolarHBondContact OH-N 3.24Å
246T88.7Confident81.9Confident83 Ų8368.5 Ų68.551%0.50938%0.377SS..EExtended strand (participates in β ladder)trans-89.5125178.4-49.20000110.6
247V87.1Confident82.4Confident29 Ų2963 Ų6318%0.17636%0.356CS..  trans-82.9134.3177.7-179.80000110.7F102 Y245 S258 L259 Q261F102-V247 HydrophobicContact CD1-CG2 3.53Å; F102-V247 HydrophobicContact CE1-CG2 4.04Å; F102-V247 HydrophobicContact CG-CG2 4.41Å; Y245-V247 HydrophobicContact CD1-CG2 4.31Å; Y245-V247 HydrophobicContact CE1-CG2 4.42Å; V247-S258 WeakPolarHBondContact CA-OG 3.47Å; V247-L259 WeakPolarHBondContact CG1-O 3.36Å; V247-Q261 HydrophobicContact CG2-CB 4.09Å
248S85.5Confident83.1Confident38 Ų3856.4 Ų56.427%0.26633%0.325SS..  trans-109.8138.7171.8-179.70000110.8N187 V250 S258N187-S248 PolarHBondContact ND2-O 3.45Å; S248-V250 PolarHBondContact OG-N 3.33Å; S248-S258 PolarHBondContact N-OG 3.12Å; S248-S258 VanDerWaalsContact N-OG 3.07Å; S248-S258 WeakPolarHBondContact O-CB 3.3Å
249T80.2Confident83.9Confident94 Ų9454 Ų5458%0.57731%0.312SS*.  trans-96.7-8.8173.155.60000112.8
250V80.3Confident84.4Confident100 Ų10053 Ų5361%0.60631%0.308SS*.  trans-77.7123.6-179.8-175.40000109.3S248 E252S248-V250 PolarHBondContact OG-N 3.33Å; V250-E252 HydrophobicContact CG1-CG 4.4Å
251I76.3Confident84.8Confident74 Ų7454.1 Ų54.138%0.37931%0.313SS..  trans-117.7109.2-179.9-57.8172.7000108.7L188 V257L188-I251 HydrophobicContact CB-CD1 4.12Å; I251-V257 HydrophobicContact CG2-CG2 4.41Å
252E78.1Confident85.1Confident101 Ų10149.1 Ų49.147%0.47229%0.291SS..  trans-99.1143.3174.1-67.8-174.9-170.600111.8V250 G254 Q255V250-E252 HydrophobicContact CG1-CG 4.4Å; E252-G254 PolarHBondContact O-N 2.99Å; E252-Q255 HydrophobicContact CB-CB 4.11Å; E252-Q255 HydrophobicContact CB-CG 4.03Å; E252-Q255 PolarHBondContact O-N 3.45Å; E252-Q255 PolarHBondContact OE2-NE2 2.86Å; E252-Q255 PolarHBondContact OE2-OE1 3.26Å
253T71.9Confident85.3Confident126 Ų12647.2 Ų47.277%0.77328%0.278SS*.THydrogen-bonded Turntrans-66.9118.1-17947.20000111.4Q255T253-Q255 VanDerWaalsContact C-N 3.35Å
254G73.1Confident85.4Confident41 Ų4147.2 Ų47.242%0.42328%0.279SS..THydrogen-bonded Turntrans88.33.917700000113.9E252E252-G254 PolarHBondContact O-N 2.99Å
255Q83Confident85.6Confident91 Ų9144 Ų4443%0.42526%0.257SS..SBendtrans-99.7159.4171.7-68.8-161.36.200112.1Y224 E252 T253Y224-Q255 WeakPolarHBondContact CE2-O 3.23Å; Y224-Q255 PolarHBondContact OH-O 2.72Å; E252-Q255 HydrophobicContact CB-CB 4.11Å; E252-Q255 HydrophobicContact CB-CG 4.03Å; E252-Q255 PolarHBondContact O-N 3.45Å; E252-Q255 PolarHBondContact OE2-NE2 2.86Å; E252-Q255 PolarHBondContact OE2-OE1 3.26Å; T253-Q255 VanDerWaalsContact C-N 3.35Å
256P85.5Confident85.9Confident28 Ų2844 Ų4418%0.18226%0.257CS..  trans-58.1155.9170.9-20.332.9000112.2Y224 L226 L275Y224-P256 CarbonylContact O-C 3.48Å; Y224-P256 VanDerWaalsContact O-CA 3.29Å; Y224-P256 WeakPolarHBondContact O-CA 3.34Å; Y224-P256 VanDerWaalsContact O-CB 3.3Å; Y224-P256 WeakPolarHBondContact O-CB 3.31Å; L226-P256 HydrophobicContact CB-CB 4.15Å; L226-P256 HydrophobicContact CD1-CB 4.26Å; P256-L275 HydrophobicContact CG-CD2 3.64Å
257V89.6Confident86.2Confident5 Ų540 Ų403%0.0323%0.233CC..BIsolated β-bridgetrans-115144.8179.4-178.60000110.4L188 Y224 L226 I251L188-V257 HydrophobicContact CB-CG1 4.23Å; L188-V257 HydrophobicContact CD2-CB 4.06Å; L188-V257 HydrophobicContact CD2-CG1 3.75Å; L188-V257 HydrophobicContact CD2-CG2 4.26Å; Y224-V257 HydrophobicContact CD1-CG2 4.46Å; Y224-V257 HydrophobicContact CE1-CB 4.3Å; Y224-V257 HydrophobicContact CE1-CG2 3.7Å; Y224-V257 PolarHBondContact O-N 3.16Å; L226-V257 VanDerWaalsContact CB-C 3.48Å; L226-V257 WeakPolarHBondContact CB-O 3.32Å; L226-V257 PolarHBondContact N-O 3.34Å; I251-V257 HydrophobicContact CG2-CG2 4.41Å
258S92.2Very high86.6Confident2 Ų238.6 Ų38.61%0.01422%0.224CC..PPolyproline II helixtrans-66.1159.6176.6-164.30000112N187 Y245 V247 S248N187-S258 VanDerWaalsContact CB-O 3.26Å; N187-S258 WeakPolarHBondContact CB-O 3.47Å; N187-S258 PolarHBondContact N-O 2.86Å; Y245-S258 WeakPolarHBondContact CE1-OG 3.47Å; Y245-S258 PolarHBondContact OH-OG 2.81Å; V247-S258 WeakPolarHBondContact CA-OG 3.47Å; S248-S258 PolarHBondContact N-OG 3.12Å; S248-S258 VanDerWaalsContact N-OG 3.07Å; S248-S258 WeakPolarHBondContact O-CB 3.3Å
259L93.6Very high87.1Confident0 Ų037 Ų370%021%0.213CC..BIsolated β-bridgetrans-74.7153173.2-56.9176.8000111.1I100 F102 L186 V225 L231 Y245 V247 Y266 F268I100-L259 HydrophobicContact CD1-CD1 3.9Å; F102-L259 HydrophobicContact CE1-CB 4.07Å; F102-L259 HydrophobicContact CZ-CB 4.34Å; L186-L259 HydrophobicContact CD2-CD2 4.18Å; V225-L259 HydrophobicContact CG1-CD1 4.43Å; V225-L259 HydrophobicContact CG1-CD2 3.78Å; V225-L259 HydrophobicContact CG1-CG 4.05Å; V225-L259 HydrophobicContact CG2-CD2 4.08Å; L231-L259 HydrophobicContact CD1-CD1 4.12Å; Y245-L259 HydrophobicContact CD1-CD1 4.44Å; Y245-L259 HydrophobicContact CE1-CB 3.87Å; Y245-L259 HydrophobicContact CE1-CD1 4.11Å; Y245-L259 HydrophobicContact CE1-CG 3.99Å; Y245-L259 HydrophobicContact CE2-CD1 4.23Å; Y245-L259 PolarHBondContact OH-N 3.24Å; V247-L259 WeakPolarHBondContact CG1-O 3.36Å; L259-Y266 HydrophobicContact CB-CE1 4.44Å; L259-Y266 HydrophobicContact CD2-CD1 4.31Å; L259-Y266 HydrophobicContact CD2-CE1 3.89Å; L259-F268 HydrophobicContact CD1-CE1 4.42Å; L259-F268 HydrophobicContact CD1-CZ 3.75Å; L259-F268 HydrophobicContact CD2-CE1 3.58Å; L259-F268 HydrophobicContact CD2-CZ 3.78Å; L259-F268 HydrophobicContact CG-CZ 4.43Å
260N90.9Very high87.7Confident2 Ų232.5 Ų32.51%0.01119%0.185CC..PPolyproline II helixtrans-85.5131.4172.8-172.4-77000110.8G185 N187 I191 N262 H263 Y266G185-N260 PolarHBondContact O-N 3.38Å; N187-N260 HydrophobicContact CB-CB 4.31Å; N187-N260 PolarHBondContact OD1-ND2 3.36Å; I191-N260 HydrophobicContact CG2-CB 4.47Å; N260-N262 VanDerWaalsContact C-N 3.28Å; N260-N262 PolarHBondContact O-N 2.91Å; N260-N262 WeakPolarHBondContact OD1-CB 3.18Å; N260-N262 PolarHBondContact OD1-N 3.28Å; N260-H263 PolarHBondContact OD1-ND1 2.62Å; N260-Y266 PolarHBondContact N-OH 2.94Å; N260-Y266 PolarHBondContact O-OH 3.32Å
261Q88.2Confident88.1Confident50 Ų5028.8 Ų28.823%0.23416%0.161CC..THydrogen-bonded Turntrans-71.9-17.4-175.666.9-164.622.800114.9F102 V247 H263F102-Q261 HydrophobicContact CB-CB 4.03Å; F102-Q261 HydrophobicContact CD1-CB 4.14Å; F102-Q261 HydrophobicContact CD2-CB 4.05Å; F102-Q261 HydrophobicContact CG-CB 3.81Å; V247-Q261 HydrophobicContact CG2-CB 4.09Å; Q261-H263 VanDerWaalsContact C-N 3.33Å
262N87.6Confident88.7Confident20 Ų2025.2 Ų25.211%0.10714%0.143CC..THydrogen-bonded Turntrans-913.1-172.3-61.9-36.6000112.7G195 Q199 N260G195-N262 WeakPolarHBondContact O-CB 3.46Å; G195-N262 PolarHBondContact O-ND2 2.86Å; Q199-N262 PolarHBondContact OE1-ND2 3.41Å; N260-N262 VanDerWaalsContact C-N 3.28Å; N260-N262 PolarHBondContact O-N 2.91Å; N260-N262 WeakPolarHBondContact OD1-CB 3.18Å; N260-N262 PolarHBondContact OD1-N 3.28Å
263H90.9Very high89.1Confident3 Ų321.8 Ų21.81%0.01413%0.126CC..  trans-84.7150.1174.1-74.266.4000111.8T113 T183 C216 N260 Q261 Y266T113-H263 WeakPolarHBondContact CG2-O 3.45Å; T113-H263 PolarHBondContact OG1-O 3.26Å; T183-H263 PolarHBondContact OG1-NE2 2.81Å; C216-H263 PolarHBondContact SG-CD2 3.46Å; C216-H263 PolarHBondContact SG-NE2 3.07Å; N260-H263 PolarHBondContact OD1-ND1 2.62Å; Q261-H263 VanDerWaalsContact C-N 3.33Å; H263-Y266 HydrophobicContact CB-CD2 4.48Å; H263-Y266 HydrophobicContact CB-CE2 3.6Å
264T90Very high89.9Confident22 Ų2216 Ų1614%0.1359%0.09CC..SBendtrans-101.2-29-176.660.80000113.7T113 E114 C216T113-T264 WeakPolarHBondContact CG2-O 3.45Å; E114-T264 PolarHBondContact N-O 2.82Å; E114-T264 VanDerWaalsContact N-O 3.11Å; C216-T264 PolarHBondContact N-OG1 3.1Å; C216-T264 PolarHBondContact O-N 3.1Å; C216-T264 PolarHBondContact O-OG1 2.95Å
265H94.3Very high90.3Very high14 Ų1416 Ų167%0.0658%0.081CC..EExtended strand (participates in β ladder)trans-140.2145.5-178.7-58.873.8000110.1E114 W135 C216 I217 G218E114-H265 CarbonylContact O-C 3.52Å; E114-H265 WeakPolarHBondContact O-CA 3.3Å; W135-H265 AromaticContact CD2-CD2 3.62Å; W135-H265 HydrophobicContact CE3-CB 4.34Å; W135-H265 AromaticContact CE3-CD2 3.52Å; W135-H265 AromaticContact CG-CD2 3.94Å; W135-H265 HydrophobicContact CH2-CB 4.35Å; W135-H265 HydrophobicContact CZ3-CB 4Å; C216-H265 PolarHBondContact O-N 2.78Å; C216-H265 VanDerWaalsContact O-N 3.13Å; I217-H265 CarbonylContact C-O 3.28Å; I217-H265 WeakPolarHBondContact CA-O 3.36Å; I217-H265 HydrophobicContact CG1-CB 4.47Å; G218-H265 PolarHBondContact N-O 2.99Å
266Y96.1Very high90.1Very high0 Ų017.5 Ų17.50%08%0.082CC..EExtended strand (participates in β ladder)trans-128134.7176.3-80.9-83.7000112.3F102 T113 E114 F115 V116 G185 G218 L259 N260 H263 F268F102-Y266 HydrophobicContact CE2-CE2 4.45Å; F102-Y266 AromaticContact CZ-CE2 3.96Å; F102-Y266 HydrophobicContact CZ-CE2 3.96Å; T113-Y266 HydrophobicContact CG2-CD2 3.55Å; T113-Y266 HydrophobicContact CG2-CE2 3.84Å; E114-Y266 PolarHBondContact O-N 3.32Å; F115-Y266 VanDerWaalsContact CA-O 3.27Å; F115-Y266 WeakPolarHBondContact CA-O 3.47Å; V116-Y266 PolarHBondContact N-O 2.81Å; G185-Y266 WeakPolarHBondContact O-CE1 3.29Å; G185-Y266 PolarHBondContact O-OH 3.4Å; G218-Y266 CarbonylContact O-C 3.51Å; G218-Y266 WeakPolarHBondContact O-CA 3.05Å; L259-Y266 HydrophobicContact CB-CE1 4.44Å; L259-Y266 HydrophobicContact CD2-CD1 4.31Å; L259-Y266 HydrophobicContact CD2-CE1 3.89Å; N260-Y266 PolarHBondContact N-OH 2.94Å; N260-Y266 PolarHBondContact O-OH 3.32Å; H263-Y266 HydrophobicContact CB-CD2 4.48Å; H263-Y266 HydrophobicContact CB-CE2 3.6Å; Y266-F268 AromaticContact CD1-CE1 3.84Å; Y266-F268 HydrophobicContact CD1-CE1 3.84Å; Y266-F268 AromaticContact CD1-CZ 3.86Å; Y266-F268 HydrophobicContact CD1-CZ 3.86Å; Y266-F268 HydrophobicContact CG-CE1 4.32Å; Y266-F268 AromaticContact CG-CZ 3.89Å; Y266-F268 HydrophobicContact CG-CZ 3.89Å
267I96.2Very high89.6Confident0 Ų019.1 Ų19.10%09%0.085CC..EExtended strand (participates in β ladder)trans-119.5110.6168.8-59.3172.4000106.9V116 I118 V127 W135 I217 G218 I219 A220 V269 F285 L289V116-I267 HydrophobicContact CG1-CG1 4.33Å; I118-I267 HydrophobicContact CD1-CG2 3.47Å; I118-I267 VanDerWaalsContact CD1-CG2 3.47Å; I118-I267 HydrophobicContact CG1-CG2 3.87Å; V127-I267 HydrophobicContact CG1-CD1 3.91Å; W135-I267 HydrophobicContact CH2-CD1 4.41Å; W135-I267 HydrophobicContact CH2-CG1 3.79Å; W135-I267 HydrophobicContact CZ3-CD1 4.27Å; W135-I267 HydrophobicContact CZ3-CG1 4.1Å; I217-I267 HydrophobicContact CG2-CD1 4.5Å; G218-I267 PolarHBondContact O-N 2.99Å; I219-I267 WeakPolarHBondContact CA-O 3.45Å; I219-I267 HydrophobicContact CG1-CB 4.46Å; A220-I267 PolarHBondContact N-O 3.4Å; I267-V269 HydrophobicContact CG2-CG2 4.44Å; I267-F285 HydrophobicContact CG2-CE1 4.1Å; I267-L289 HydrophobicContact CD1-CD2 4.24Å
268F95.5Very high88.7Confident0 Ų021.5 Ų21.50%011%0.111CC..EExtended strand (participates in β ladder)trans-92.5111.2177.2-61.3-59.8000110F115 V116 R117 I118 A220 W222 V225 L231 L259 Y266F115-F268 HydrophobicContact CB-CE2 3.97Å; F115-F268 AromaticContact CD2-CD2 3.91Å; F115-F268 HydrophobicContact CD2-CD2 3.91Å; F115-F268 AromaticContact CD2-CE2 3.64Å; F115-F268 HydrophobicContact CD2-CE2 3.64Å; F115-F268 HydrophobicContact CG-CE2 4.13Å; V116-F268 PolarHBondContact O-N 3.31Å; R117-F268 WeakPolarHBondContact CA-O 3.3Å; R117-F268 HydrophobicContact CB-CB 4.35Å; I118-F268 PolarHBondContact N-O 3.5Å; A220-F268 HydrophobicContact CB-CD1 3.83Å; A220-F268 HydrophobicContact CB-CE1 3.93Å; A220-F268 CarbonylContact O-C 3.52Å; A220-F268 WeakPolarHBondContact O-CA 3.45Å; W222-F268 HydrophobicContact CB-CB 4.22Å; W222-F268 HydrophobicContact CD2-CB 4.45Å; W222-F268 HydrophobicContact CE3-CB 3.65Å; W222-F268 HydrophobicContact CE3-CD1 4.29Å; W222-F268 AromaticContact CE3-CD2 3.89Å; W222-F268 HydrophobicContact CE3-CD2 3.89Å; W222-F268 AromaticContact CE3-CG 3.68Å; W222-F268 HydrophobicContact CE3-CG 3.68Å; W222-F268 HydrophobicContact CZ3-CB 4.42Å; W222-F268 AromaticContact CZ3-CD2 3.84Å; W222-F268 HydrophobicContact CZ3-CD2 3.84Å; W222-F268 HydrophobicContact CZ3-CE2 4.34Å; W222-F268 HydrophobicContact CZ3-CG 4.12Å; V225-F268 HydrophobicContact CG2-CD1 3.81Å; V225-F268 HydrophobicContact CG2-CE1 3.72Å; L231-F268 HydrophobicContact CD1-CE2 4.12Å; L231-F268 HydrophobicContact CD1-CZ 4.32Å; L259-F268 HydrophobicContact CD1-CE1 4.42Å; L259-F268 HydrophobicContact CD1-CZ 3.75Å; L259-F268 HydrophobicContact CD2-CE1 3.58Å; L259-F268 HydrophobicContact CD2-CZ 3.78Å; L259-F268 HydrophobicContact CG-CZ 4.43Å; Y266-F268 AromaticContact CD1-CE1 3.84Å; Y266-F268 HydrophobicContact CD1-CE1 3.84Å; Y266-F268 AromaticContact CD1-CZ 3.86Å; Y266-F268 HydrophobicContact CD1-CZ 3.86Å; Y266-F268 HydrophobicContact CG-CE1 4.32Å; Y266-F268 AromaticContact CG-CZ 3.89Å; Y266-F268 HydrophobicContact CG-CZ 3.89Å
269V94.6Very high87.5Confident3 Ų324.5 Ų24.52%0.01814%0.142CC..EExtended strand (participates in β ladder)trans-88.9123.7178.3-174.20000108.9I118 D120 I219 A220 P221 W222 I267 F285I118-V269 HydrophobicContact CD1-CG2 4.36Å; I118-V269 HydrophobicContact CG1-CG2 4.38Å; D120-V269 HydrophobicContact CB-CG1 4.17Å; I219-V269 HydrophobicContact CG2-CG2 3.95Å; A220-V269 PolarHBondContact O-N 3.47Å; P221-V269 WeakPolarHBondContact CA-O 3.42Å; W222-V269 PolarHBondContact N-O 2.9Å; I267-V269 HydrophobicContact CG2-CG2 4.44Å; V269-F285 HydrophobicContact CG1-CB 4.31Å; V269-F285 HydrophobicContact CG1-CG 4.5Å; V269-F285 HydrophobicContact CG2-CB 4.15Å; V269-F285 HydrophobicContact CG2-CD1 3.58Å; V269-F285 HydrophobicContact CG2-CE1 4.15Å; V269-F285 HydrophobicContact CG2-CG 3.86Å
270D92.9Very high86.6Confident0 Ų024.8 Ų24.80%014%0.144CC..EExtended strand (participates in β ladder)trans-115.1110.9-175.2-17322.3000111.7K37 R117 I118 D120 W222 G272 R274K37-D270 PolarHBondContact N-OD2 3.29Å; K37-D270 VanDerWaalsContact N-OD2 3.13Å; R117-D270 HydrophobicContact CG-CB 4.34Å; R117-D270 IonicContact CZ-OD2 3.44Å; R117-D270 IonicContact NE-OD2 2.87Å; R117-D270 PolarHBondContact NE-OD2 3.2Å; R117-D270 IonicContact NH2-OD2 2.61Å; R117-D270 PolarHBondContact NH2-OD2 2.8Å; I118-D270 WeakPolarHBondContact O-CB 3.39Å; I118-D270 PolarHBondContact O-N 2.75Å; D120-D270 PolarHBondContact N-O 2.99Å; D120-D270 VanDerWaalsContact OD1-O 3.12Å; W222-D270 HydrophobicContact CB-CB 3.89Å; W222-D270 HydrophobicContact CG-CB 4.33Å; D270-G272 PolarHBondContact OD1-N 2.64Å; D270-G272 VanDerWaalsContact OD1-N 3.09Å; D270-R274 IonicContact OD1-CZ 3.25Å; D270-R274 IonicContact OD1-NH1 3.8Å; D270-R274 PolarHBondContact OD1-NH1 3.38Å; D270-R274 IonicContact OD1-NH2 2.86Å
271E90.4Very high86.2Confident22 Ų2227.1 Ų27.110%0.10316%0.155CC..  trans-98.37.1176.162.2-179.5-170.500112.2K273 E281E271-K273 HydrophobicContact CG-CB 4.01Å; E271-K273 HydrophobicContact CG-CD 4.45Å; E271-K273 HydrophobicContact CG-CG 4.37Å; E271-K273 PolarHBondContact O-N 2.92Å; E271-K273 VanDerWaalsContact O-N 3.16Å; E271-E281 HydrophobicContact CB-CB 4.35Å; E271-E281 HydrophobicContact CB-CG 4.39Å; E271-E281 WeakPolarHBondContact OE2-CG 3.21Å; E271-E281 PolarHBondContact OE2-N 2.54Å
272G87.5Confident86.1Confident0 Ų025.3 Ų25.30%015%0.148CC..SBendtrans72.7-0.4-177.400000115.4L88 D270L88-G272 WeakPolarHBondContact CD2-O 3.34Å; D270-G272 PolarHBondContact OD1-N 2.64Å; D270-G272 VanDerWaalsContact OD1-N 3.09Å
273K87.5Confident86Confident28 Ų2825.3 Ų25.312%0.12215%0.151CC..  trans-95.5156.1173.2-61.6170.2-179.7161.30111.1C60 E84 L88 G223 E271C60-K273 CarbonylContact O-C 3.58Å; C60-K273 WeakPolarHBondContact O-CA 3.39Å; E84-K273 VanDerWaalsContact CD-NZ 3.33Å; E84-K273 VanDerWaalsContact OE1-CE 3.26Å; E84-K273 WeakPolarHBondContact OE1-CE 3.11Å; E84-K273 IonicContact OE1-NZ 2.92Å; E84-K273 PolarHBondContact OE1-NZ 3.14Å; E84-K273 IonicContact OE2-NZ 3.3Å; L88-K273 HydrophobicContact CD1-CG 4.15Å; G223-K273 WeakPolarHBondContact CA-O 3.39Å; E271-K273 HydrophobicContact CG-CB 4.01Å; E271-K273 HydrophobicContact CG-CD 4.45Å; E271-K273 HydrophobicContact CG-CG 4.37Å; E271-K273 PolarHBondContact O-N 2.92Å; E271-K273 VanDerWaalsContact O-N 3.16Å
274R88Confident85.8Confident4 Ų431.6 Ų31.62%0.01517%0.174CC..  trans-129.8154.6-176.1-52.4-62.8175-115.56.3110.6K37 E38 C60 E62 D270 R276K37-R274 PolarHBondContact O-NH2 3.12Å; E38-R274 IonicContact OE1-NH2 2.76Å; E38-R274 PolarHBondContact OE1-NH2 3.44Å; E38-R274 IonicContact OE2-CZ 2.76Å; E38-R274 IonicContact OE2-NE 3.73Å; E38-R274 IonicContact OE2-NH2 3.58Å; E38-R274 PolarHBondContact OE2-NH2 3.43Å; C60-R274 PolarHBondContact O-N 3.46Å; E62-R274 HydrophobicContact CB-CB 4.38Å; E62-R274 HydrophobicContact CB-CG 3.86Å; E62-R274 HydrophobicContact CG-CG 4.33Å; E62-R274 WeakPolarHBondContact OE2-CG 3.44Å; E62-R274 IonicContact OE2-NE 3.22Å; D270-R274 IonicContact OD1-CZ 3.25Å; D270-R274 IonicContact OD1-NH1 3.8Å; D270-R274 PolarHBondContact OD1-NH1 3.38Å; D270-R274 IonicContact OD1-NH2 2.86Å; R274-R276 PolarHBondContact O-N 2.97Å; R274-R276 VanDerWaalsContact O-N 3.11Å
275L82.7Confident85.8Confident43 Ų4330.9 Ų30.923%0.22517%0.169CC..SBendtrans58.322178.2-57.8175.3000114.9G61 Y63 G223 P256G61-L275 WeakPolarHBondContact O-CD1 3.44Å; Y63-L275 HydrophobicContact CE2-CD1 4.28Å; G223-L275 PolarHBondContact O-N 3.17Å; P256-L275 HydrophobicContact CG-CD2 3.64Å
276R78.1Confident85.7Confident121 Ų12131 Ų3146%0.45717%0.169SC..  trans-113.5136.4173.3-68.9-170.1-178.7-171.33.8110.7R274 C280R274-R276 PolarHBondContact O-N 2.97Å; R274-R276 VanDerWaalsContact O-N 3.11Å; R276-C280 PolarHBondContact O-SG 3.36Å
277Y75.6Confident85.3Confident62 Ų6231.2 Ų31.224%0.24317%0.171CC..  trans-119.5-46.3174.5179.5-102.6000112.1A153 L186 P221 Y224 C280A153-Y277 HydrophobicContact CB-CE1 4.08Å; L186-Y277 HydrophobicContact CD1-CD2 3.8Å; L186-Y277 HydrophobicContact CD1-CE2 3.6Å; P221-Y277 HydrophobicContact CG-CD2 4.3Å; Y224-Y277 AromaticContact CD1-CD2 3.77Å; Y224-Y277 HydrophobicContact CD1-CD2 3.77Å; Y224-Y277 HydrophobicContact CD1-CG 4.17Å; Y224-Y277 HydrophobicContact CE1-CD2 4.08Å; Y224-Y277 HydrophobicContact CE1-CG 4.13Å; Y224-Y277 HydrophobicContact CG-CD2 4.44Å; Y277-C280 PolarHBondContact O-SG 3.08Å; Y277-C280 VanDerWaalsContact O-SG 3.32Å
278G69.4Low85.1Confident56 Ų5636.6 Ų36.658%0.57719%0.192SC*.THydrogen-bonded Turntrans-83.2129.2-178.200000112.6
279G67.5Low84.9Confident64 Ų6436.8 Ų36.866%0.6619%0.193SC*.THydrogen-bonded Turntrans78.717.4178.700000114.5
280C75.5Confident84.8Confident6 Ų636.8 Ų36.84%0.04119%0.192CC..  trans-73.6153.5175.9-62.50000111.9P221 R276 Y277 S282 A283P221-C280 HydrophobicContact CB-CB 4.27Å; R276-C280 PolarHBondContact O-SG 3.36Å; Y277-C280 PolarHBondContact O-SG 3.08Å; Y277-C280 VanDerWaalsContact O-SG 3.32Å; C280-S282 PolarHBondContact O-N 3.32Å; C280-S282 VanDerWaalsContact O-N 3.14Å; C280-A283 PolarHBondContact O-N 3.22Å
281E82.3Confident84.7Confident51 Ų5140.7 Ų40.724%0.23821%0.21CC..Hα-helixtrans-63.2-18.7177.2-69.6-59.3137.200112.9D120 E271 A283 R284 F285D120-E281 HydrophobicContact CB-CB 3.98Å; D120-E281 HydrophobicContact CB-CG 4.45Å; E271-E281 HydrophobicContact CB-CB 4.35Å; E271-E281 HydrophobicContact CB-CG 4.39Å; E271-E281 WeakPolarHBondContact OE2-CG 3.21Å; E271-E281 PolarHBondContact OE2-N 2.54Å; E281-A283 VanDerWaalsContact C-N 3.29Å; E281-A283 PolarHBondContact O-N 3.33Å; E281-R284 PolarHBondContact O-N 3.28Å; E281-R284 VanDerWaalsContact O-N 3.14Å; E281-R284 IonicContact OE1-CZ 2.66Å; E281-R284 IonicContact OE1-NH1 3.9Å; E281-R284 PolarHBondContact OE1-NH1 3.22Å; E281-R284 WeakPolarHBondContact OE2-CD 3.44Å; E281-R284 IonicContact OE2-CZ 3.14Å; E281-R284 IonicContact OE2-NE 3.61Å; E281-R284 IonicContact OE2-NH1 3.02Å; E281-R284 PolarHBondContact OE2-NH1 2.77Å; E281-F285 WeakPolarHBondContact O-CB 3.21Å; E281-F285 PolarHBondContact O-N 2.88Å
282S85.8Confident84.7Confident13 Ų1341.1 Ų41.19%0.09121%0.211CC..Hα-helixtrans-56.5-39.317460.50000113.2C280 F285 R286C280-S282 PolarHBondContact O-N 3.32Å; C280-S282 VanDerWaalsContact O-N 3.14Å; S282-F285 PolarHBondContact O-N 2.81Å; S282-R286 WeakPolarHBondContact O-CB 3.39Å; S282-R286 PolarHBondContact O-N 3.35Å
283A84.5Confident85Confident20 Ų2041.1 Ų41.117%0.16521%0.212CC..Hα-helixtrans-69.3-37.9178.200000112.1C280 E281 A287 D320C280-A283 PolarHBondContact O-N 3.22Å; E281-A283 VanDerWaalsContact C-N 3.29Å; E281-A283 PolarHBondContact O-N 3.33Å; A283-A287 PolarHBondContact O-N 3Å; A283-D320 WeakPolarHBondContact CB-OD1 3.23Å
284R87Confident85.1Confident134 Ų13441.9 Ų41.951%0.50622%0.223SC..Hα-helixtrans-69.9-41.3174.8-173.1-174.7-75.6149.7-4.9111E281 A287 R288E281-R284 PolarHBondContact O-N 3.28Å; E281-R284 VanDerWaalsContact O-N 3.14Å; E281-R284 IonicContact OE1-CZ 2.66Å; E281-R284 IonicContact OE1-NH1 3.9Å; E281-R284 PolarHBondContact OE1-NH1 3.22Å; E281-R284 WeakPolarHBondContact OE2-CD 3.44Å; E281-R284 IonicContact OE2-CZ 3.14Å; E281-R284 IonicContact OE2-NE 3.61Å; E281-R284 IonicContact OE2-NH1 3.02Å; E281-R284 PolarHBondContact OE2-NH1 2.77Å; R284-A287 PolarHBondContact O-N 3.4Å; R284-R288 WeakPolarHBondContact O-CG 3.49Å; R284-R288 PolarHBondContact O-N 2.78Å; R284-R288 VanDerWaalsContact O-N 3.09Å
285F90.9Very high85.1Confident7 Ų744.4 Ų44.43%0.03124%0.237CC..Hα-helixtrans-59.4-47.7174.8177-90.7000111.1I118 L124 V127 I219 I267 V269 E281 S282 A287 R288 L289I118-F285 HydrophobicContact CD1-CD2 4.4Å; I118-F285 HydrophobicContact CD1-CE1 3.95Å; I118-F285 HydrophobicContact CD1-CE2 3.63Å; I118-F285 HydrophobicContact CD1-CZ 3.38Å; L124-F285 HydrophobicContact CD1-CD2 4.18Å; L124-F285 HydrophobicContact CD1-CE2 3.49Å; L124-F285 VanDerWaalsContact CD1-CE2 3.49Å; L124-F285 HydrophobicContact CD1-CZ 3.73Å; V127-F285 HydrophobicContact CG1-CZ 4.4Å; V127-F285 HydrophobicContact CG2-CZ 4.15Å; I219-F285 HydrophobicContact CG2-CD1 4Å; I219-F285 HydrophobicContact CG2-CE1 4.48Å; I267-F285 HydrophobicContact CG2-CE1 4.1Å; V269-F285 HydrophobicContact CG1-CB 4.31Å; V269-F285 HydrophobicContact CG1-CG 4.5Å; V269-F285 HydrophobicContact CG2-CB 4.15Å; V269-F285 HydrophobicContact CG2-CD1 3.58Å; V269-F285 HydrophobicContact CG2-CE1 4.15Å; V269-F285 HydrophobicContact CG2-CG 3.86Å; E281-F285 WeakPolarHBondContact O-CB 3.21Å; E281-F285 PolarHBondContact O-N 2.88Å; S282-F285 PolarHBondContact O-N 2.81Å; F285-A287 PolarHBondContact O-N 2.94Å; F285-R288 WeakPolarHBondContact O-CB 3.36Å; F285-R288 PolarHBondContact O-N 2.74Å; F285-R288 VanDerWaalsContact O-N 3.14Å; F285-L289 HydrophobicContact CE1-CB 4.36Å; F285-L289 HydrophobicContact CE1-CD2 4.11Å; F285-L289 PolarHBondContact O-N 2.9Å
286R91.6Very high85.3Confident16 Ų1645.7 Ų45.76%0.0625%0.248CC..Hα-helixtrans-54.2-49.9175.8177.117972.1-155.9-10.3111.7I150 V182 I219 S282 R288 L289 E290 D320I150-R286 VanDerWaalsContact CG2-CZ 3.42Å; I150-R286 VanDerWaalsContact CG2-NH1 3.31Å; I150-R286 VanDerWaalsContact CG2-NH2 3.3Å; V182-R286 HydrophobicContact CG1-CG 4.14Å; I219-R286 HydrophobicContact CD1-CB 4.05Å; I219-R286 HydrophobicContact CD1-CG 3.95Å; I219-R286 HydrophobicContact CG2-CB 4.32Å; S282-R286 WeakPolarHBondContact O-CB 3.39Å; S282-R286 PolarHBondContact O-N 3.35Å; R286-R288 VanDerWaalsContact C-N 3.3Å; R286-R288 PolarHBondContact O-N 3.18Å; R286-L289 PolarHBondContact O-N 2.74Å; R286-L289 VanDerWaalsContact O-N 3.17Å; R286-E290 VanDerWaalsContact CD-OE1 3.3Å; R286-E290 WeakPolarHBondContact CD-OE1 3.31Å; R286-E290 HydrophobicContact CG-CG 4.28Å; R286-E290 WeakPolarHBondContact CG-OE1 3.34Å; R286-E290 IonicContact NE-OE1 3.5Å; R286-E290 WeakPolarHBondContact O-CB 3.3Å; R286-E290 VanDerWaalsContact O-CG 3.29Å; R286-E290 WeakPolarHBondContact O-CG 3.44Å; R286-E290 PolarHBondContact O-N 2.92Å; R286-D320 IonicContact CZ-OD2 2.73Å; R286-D320 VanDerWaalsContact NH2-CG 3.27Å; R286-D320 IonicContact NH2-OD1 3.79Å; R286-D320 IonicContact NH2-OD2 3.66Å; R286-D320 PolarHBondContact NH2-OD2 3.03Å
287A88.5Confident85.4Confident6 Ų645.5 Ų45.55%0.0525%0.252CS..Hα-helixtrans-61.3-37.7179.400000112.7A283 R284 F285 K291 N323A283-A287 PolarHBondContact O-N 3Å; R284-A287 PolarHBondContact O-N 3.4Å; F285-A287 PolarHBondContact O-N 2.94Å; A287-K291 PolarHBondContact O-N 3.28Å; A287-K291 VanDerWaalsContact O-N 3.12Å; A287-N323 HydrophobicContact CB-CB 4.09Å
288R90.7Very high85.7Confident113 Ų11352 Ų5243%0.42629%0.285SS..Hα-helixtrans-67-42.5174.3-71.8172.961.3-164.9-3111.9L124 R284 F285 R286 K291 Q292L124-R288 HydrophobicContact CD2-CB 4.25Å; L124-R288 WeakPolarHBondContact CD2-O 3.23Å; R284-R288 WeakPolarHBondContact O-CG 3.49Å; R284-R288 PolarHBondContact O-N 2.78Å; R284-R288 VanDerWaalsContact O-N 3.09Å; F285-R288 WeakPolarHBondContact O-CB 3.36Å; F285-R288 PolarHBondContact O-N 2.74Å; F285-R288 VanDerWaalsContact O-N 3.14Å; R286-R288 VanDerWaalsContact C-N 3.3Å; R286-R288 PolarHBondContact O-N 3.18Å; R288-K291 WeakPolarHBondContact O-CB 3.19Å; R288-K291 PolarHBondContact O-N 2.77Å; R288-Q292 PolarHBondContact O-N 3.43Å
289L92.4Very high86.3Confident4 Ų452 Ų522%0.02128%0.279CS..Hα-helixtrans-63.6-46.8177.7-175.165.3000111.3L124 V127 M128 M131 I219 I267 F285 R286 K291 Q292 I293L124-L289 HydrophobicContact CD1-CB 4.06Å; L124-L289 HydrophobicContact CD1-CD1 3.87Å; L124-L289 HydrophobicContact CG-CD1 4.22Å; V127-L289 HydrophobicContact CG1-CD1 4.25Å; M128-L289 HydrophobicContact CG-CD1 4.49Å; M128-L289 HydrophobicContact SD-CD1 3.81Å; M131-L289 HydrophobicContact SD-CD1 4.35Å; I219-L289 HydrophobicContact CD1-CD2 3.75Å; I267-L289 HydrophobicContact CD1-CD2 4.24Å; F285-L289 HydrophobicContact CE1-CB 4.36Å; F285-L289 HydrophobicContact CE1-CD2 4.11Å; F285-L289 PolarHBondContact O-N 2.9Å; R286-L289 PolarHBondContact O-N 2.74Å; R286-L289 VanDerWaalsContact O-N 3.17Å; L289-K291 VanDerWaalsContact C-N 3.32Å; L289-K291 PolarHBondContact O-N 3.25Å; L289-Q292 WeakPolarHBondContact O-CB 3.43Å; L289-Q292 PolarHBondContact O-N 2.79Å; L289-I293 HydrophobicContact CG-CD1 4Å; L289-I293 WeakPolarHBondContact O-CG1 3.44Å; L289-I293 PolarHBondContact O-N 2.78Å
290E92.7Very high86.8Confident2 Ų251.3 Ų51.31%0.00927%0.272CS..Hα-helixtrans-55.8-46175.4-76168.8-175.500111.5S148 R286 Q292 I293 A294 V306S148-E290 WeakPolarHBondContact CB-OE1 3.43Å; S148-E290 PolarHBondContact OG-OE1 2.97Å; R286-E290 VanDerWaalsContact CD-OE1 3.3Å; R286-E290 WeakPolarHBondContact CD-OE1 3.31Å; R286-E290 HydrophobicContact CG-CG 4.28Å; R286-E290 WeakPolarHBondContact CG-OE1 3.34Å; R286-E290 IonicContact NE-OE1 3.5Å; R286-E290 WeakPolarHBondContact O-CB 3.3Å; R286-E290 VanDerWaalsContact O-CG 3.29Å; R286-E290 WeakPolarHBondContact O-CG 3.44Å; R286-E290 PolarHBondContact O-N 2.92Å; E290-Q292 VanDerWaalsContact C-N 3.33Å; E290-Q292 PolarHBondContact O-N 2.69Å; E290-I293 PolarHBondContact O-N 3.44Å; E290-A294 PolarHBondContact O-N 2.98Å; E290-V306 HydrophobicContact CB-CG1 4.02Å; E290-V306 HydrophobicContact CG-CG1 4.03Å; E290-V306 WeakPolarHBondContact O-CG2 3.29Å
291K90.4Very high87.3Confident83 Ų8351.4 Ų51.436%0.36127%0.273SS..Hα-helixtrans-57.6-46.5173.4-175.6-161.5-169.9160.70112A287 R288 L289 I293 A294 L295 E327A287-K291 PolarHBondContact O-N 3.28Å; A287-K291 VanDerWaalsContact O-N 3.12Å; R288-K291 WeakPolarHBondContact O-CB 3.19Å; R288-K291 PolarHBondContact O-N 2.77Å; L289-K291 VanDerWaalsContact C-N 3.32Å; L289-K291 PolarHBondContact O-N 3.25Å; K291-I293 VanDerWaalsContact C-N 3.31Å; K291-I293 PolarHBondContact O-N 3.13Å; K291-A294 WeakPolarHBondContact O-CB 3.42Å; K291-A294 PolarHBondContact O-N 3.27Å; K291-A294 VanDerWaalsContact O-N 3.13Å; K291-L295 PolarHBondContact O-N 2.96Å; K291-L295 VanDerWaalsContact O-N 3.12Å; K291-E327 HydrophobicContact CB-CB 4.13Å; K291-E327 HydrophobicContact CB-CG 4.4Å; K291-E327 HydrophobicContact CD-CB 4.32Å; K291-E327 HydrophobicContact CD-CG 4.29Å; K291-E327 WeakPolarHBondContact CD-OE2 3.48Å; K291-E327 WeakPolarHBondContact CE-OE2 3.47Å; K291-E327 HydrophobicContact CG-CB 4.21Å; K291-E327 IonicContact NZ-OE2 2.69Å; K291-E327 PolarHBondContact NZ-OE2 3.07Å
292Q90.6Very high87.6Confident30 Ų3049.5 Ų49.514%0.1426%0.264CS..Hα-helixtrans-65-36.8-178.5-163.767.316.600111.9L124 M128 R288 L289 E290 A294 L295 G300 G301L124-Q292 HydrophobicContact CD2-CB 3.53Å; L124-Q292 HydrophobicContact CD2-CG 3.92Å; L124-Q292 HydrophobicContact CG-CB 4.42Å; M128-Q292 HydrophobicContact CE-CG 4.07Å; M128-Q292 HydrophobicContact CG-CG 3.94Å; M128-Q292 HydrophobicContact SD-CB 4.44Å; M128-Q292 HydrophobicContact SD-CG 4.21Å; R288-Q292 PolarHBondContact O-N 3.43Å; L289-Q292 WeakPolarHBondContact O-CB 3.43Å; L289-Q292 PolarHBondContact O-N 2.79Å; E290-Q292 VanDerWaalsContact C-N 3.33Å; E290-Q292 PolarHBondContact O-N 2.69Å; Q292-A294 VanDerWaalsContact C-N 3.29Å; Q292-A294 PolarHBondContact O-N 2.92Å; Q292-L295 PolarHBondContact O-N 2.97Å; Q292-G300 PolarHBondContact NE2-O 3.35Å; Q292-G300 VanDerWaalsContact NE2-O 3.17Å; Q292-G301 WeakPolarHBondContact O-CA 3.43Å
293I92.4Very high87.6Confident1 Ų150.6 Ų50.61%0.00528%0.278CS..Hα-helixtrans-61.7-39.8173-69.1167.5000110.8M128 M131 C146 W180 L289 E290 K291 F302 G303 I304 V306M128-I293 HydrophobicContact CE-CG1 4.11Å; M128-I293 HydrophobicContact SD-CG1 3.97Å; M131-I293 HydrophobicContact CE-CD1 4.31Å; C146-I293 HydrophobicContact CB-CG2 4.37Å; W180-I293 HydrophobicContact CE3-CD1 4.44Å; W180-I293 HydrophobicContact CZ3-CD1 4.33Å; L289-I293 HydrophobicContact CG-CD1 4Å; L289-I293 WeakPolarHBondContact O-CG1 3.44Å; L289-I293 PolarHBondContact O-N 2.78Å; E290-I293 PolarHBondContact O-N 3.44Å; K291-I293 VanDerWaalsContact C-N 3.31Å; K291-I293 PolarHBondContact O-N 3.13Å; I293-F302 HydrophobicContact CG1-CD2 4.14Å; I293-F302 HydrophobicContact CG1-CE2 4.49Å; I293-F302 HydrophobicContact CG2-CD2 4.43Å; I293-F302 PolarHBondContact O-N 3.12Å; I293-G303 PolarHBondContact O-N 3.28Å; I293-I304 HydrophobicContact CG2-CB 3.89Å; I293-I304 HydrophobicContact CG2-CD1 4.31Å; I293-I304 HydrophobicContact CG2-CG2 4.43Å; I293-I304 PolarHBondContact O-N 3.44Å; I293-I304 VanDerWaalsContact O-N 3.15Å; I293-V306 HydrophobicContact CB-CG2 4.31Å; I293-V306 HydrophobicContact CG2-CG2 4.04Å
294A89.8Confident87.9Confident44 Ų4449.7 Ų49.736%0.36427%0.27SS..Hα-helixtrans-69.8-28.6179.600000114.7E290 K291 Q292 I304 V306E290-A294 PolarHBondContact O-N 2.98Å; K291-A294 WeakPolarHBondContact O-CB 3.42Å; K291-A294 PolarHBondContact O-N 3.27Å; K291-A294 VanDerWaalsContact O-N 3.13Å; Q292-A294 VanDerWaalsContact C-N 3.29Å; Q292-A294 PolarHBondContact O-N 2.92Å; A294-I304 VanDerWaalsContact CA-O 3.26Å; A294-I304 WeakPolarHBondContact CA-O 3.4Å; A294-V306 HydrophobicContact CB-CG2 4.02Å
295L89.4Confident88Confident57 Ų5744.9 Ų44.930%0.29826%0.256SS..SBendtrans-63.9145.7-179.9-74.1173.6000111.7K291 Q292 A299 G301 F302 G303K291-L295 PolarHBondContact O-N 2.96Å; K291-L295 VanDerWaalsContact O-N 3.12Å; Q292-L295 PolarHBondContact O-N 2.97Å; L295-A299 HydrophobicContact CB-CB 4.39Å; L295-G301 CarbonylContact O-C 3.52Å; L295-G301 VanDerWaalsContact O-C 3.31Å; L295-G301 VanDerWaalsContact O-CA 3.23Å; L295-G301 WeakPolarHBondContact O-CA 3.28Å; L295-F302 PolarHBondContact O-N 3.1Å; L295-F302 VanDerWaalsContact O-N 3.14Å; L295-G303 VanDerWaalsContact O-CA 3.3Å; L295-G303 WeakPolarHBondContact O-CA 3.17Å; L295-G303 PolarHBondContact O-N 2.8Å
296P85.3Confident88.1Confident70 Ų7044.8 Ų44.846%0.45526%0.256SS..  trans-62.5158.1177.526.3-33.2000112E298 A299 G301P296-E298 PolarHBondContact O-N 3.05Å; P296-A299 HydrophobicContact CG-CB 4.05Å; P296-A299 PolarHBondContact O-N 2.96Å; P296-G301 PolarHBondContact O-N 3.2Å; P296-G301 VanDerWaalsContact O-N 3.15Å
297E81.9Confident88.3Confident116 Ų11644 Ų4454%0.54225%0.254SS..G310 helixtrans-59-34.1-178.3-67.6-175.7-175.900112.9K142 A299 G300 G301K142-E297 IonicContact NZ-OE1 3.9Å; K142-E297 PolarHBondContact NZ-OE1 3.4Å; E297-A299 PolarHBondContact O-N 2.85Å; E297-G300 PolarHBondContact O-N 3.48Å; E297-G301 WeakPolarHBondContact CA-O 3.41Å
298E81.7Confident88.6Confident200 Ų20043.8 Ų43.894%0.93525%0.251SS*.G310 helixtrans-60.7-28.5175.5-62.1176.7-174.700113P296P296-E298 PolarHBondContact O-N 3.05Å
299A82Confident88.9Confident56 Ų5638.4 Ų38.446%0.46323%0.231SC..G310 helixtrans-94.812.7178.200000112.8L295 P296 E297 G301L295-A299 HydrophobicContact CB-CB 4.39Å; P296-A299 HydrophobicContact CG-CB 4.05Å; P296-A299 PolarHBondContact O-N 2.96Å; E297-A299 PolarHBondContact O-N 2.85Å; A299-G301 VanDerWaalsContact C-N 3.34Å
300G77.5Confident89Confident49 Ų4938.2 Ų38.251%0.50523%0.23SC..THydrogen-bonded Turntrans76.917.5-178.500000114.4Q292 E297Q292-G300 PolarHBondContact NE2-O 3.35Å; Q292-G300 VanDerWaalsContact NE2-O 3.17Å; E297-G300 PolarHBondContact O-N 3.48Å
301G85.3Confident89Confident7 Ų738.1 Ų38.17%0.07223%0.229CC..SBendtrans-99.6-165.817100000113.2Q292 L295 P296 E297 A299Q292-G301 WeakPolarHBondContact O-CA 3.43Å; L295-G301 CarbonylContact O-C 3.52Å; L295-G301 VanDerWaalsContact O-C 3.31Å; L295-G301 VanDerWaalsContact O-CA 3.23Å; L295-G301 WeakPolarHBondContact O-CA 3.28Å; P296-G301 PolarHBondContact O-N 3.2Å; P296-G301 VanDerWaalsContact O-N 3.15Å; E297-G301 WeakPolarHBondContact CA-O 3.41Å; A299-G301 VanDerWaalsContact C-N 3.34Å
302F88.6Confident89Confident11 Ų1134.8 Ų34.85%0.04822%0.215CC..  trans-107-9.8175.4-64-34.7000113.7M128 M131 K132 M138 K142 W180 I293 L295 I304M128-F302 HydrophobicContact CB-CZ 4.12Å; M128-F302 HydrophobicContact CE-CD1 3.81Å; M128-F302 HydrophobicContact CE-CD2 3.33Å; M128-F302 HydrophobicContact CE-CE1 3.73Å; M128-F302 HydrophobicContact CE-CE2 3.23Å; M128-F302 HydrophobicContact CE-CG 3.62Å; M128-F302 HydrophobicContact CE-CZ 3.44Å; M128-F302 VanDerWaalsContact CE-CZ 3.44Å; M128-F302 WeakPolarHBondContact O-CZ 3.42Å; M128-F302 HydrophobicContact SD-CD2 4.23Å; M128-F302 HydrophobicContact SD-CE2 3.64Å; M128-F302 HydrophobicContact SD-CZ 3.93Å; M131-F302 HydrophobicContact CB-CZ 4.46Å; K132-F302 HydrophobicContact CB-CE1 4.04Å; K132-F302 HydrophobicContact CB-CZ 4.13Å; K132-F302 HydrophobicContact CD-CE1 4.29Å; K132-F302 HydrophobicContact CG-CE1 4.43Å; M138-F302 HydrophobicContact CE-CB 4.35Å; M138-F302 HydrophobicContact CE-CD1 4.39Å; M138-F302 HydrophobicContact CE-CG 4.37Å; M138-F302 HydrophobicContact SD-CG 4.47Å; K142-F302 WeakPolarHBondContact CE-O 3.39Å; K142-F302 PolarHBondContact NZ-O 3.38Å; W180-F302 AromaticContact CH2-CD2 3.79Å; W180-F302 HydrophobicContact CH2-CD2 3.79Å; W180-F302 AromaticContact CH2-CE2 3.76Å; W180-F302 HydrophobicContact CH2-CE2 3.76Å; W180-F302 AromaticContact CZ3-CD2 3.8Å; W180-F302 HydrophobicContact CZ3-CD2 3.8Å; W180-F302 AromaticContact CZ3-CE2 3.89Å; W180-F302 HydrophobicContact CZ3-CE2 3.89Å; I293-F302 HydrophobicContact CG1-CD2 4.14Å; I293-F302 HydrophobicContact CG1-CE2 4.49Å; I293-F302 HydrophobicContact CG2-CD2 4.43Å; I293-F302 PolarHBondContact O-N 3.12Å; L295-F302 PolarHBondContact O-N 3.1Å; L295-F302 VanDerWaalsContact O-N 3.14Å; F302-I304 HydrophobicContact CB-CD1 3.54Å; F302-I304 HydrophobicContact CB-CG1 3.83Å; F302-I304 HydrophobicContact CD2-CD1 4.2Å; F302-I304 HydrophobicContact CG-CD1 4.25Å; F302-I304 PolarHBondContact O-N 2.68Å
303G86.5Confident89Confident37 Ų3733.4 Ų33.438%0.38121%0.209SC..  trans64.928.5-176.500000112.7I293 L295I293-G303 PolarHBondContact O-N 3.28Å; L295-G303 VanDerWaalsContact O-CA 3.3Å; L295-G303 WeakPolarHBondContact O-CA 3.17Å; L295-G303 PolarHBondContact O-N 2.8Å
304I90Very high88.7Confident1 Ų134.4 Ų34.41%0.00522%0.219CC..  trans-101.2118.9-178.5-59.1163.4000108M138 P143 L145 C146 W180 I293 A294 F302 V306M138-I304 HydrophobicContact CE-CD1 4.34Å; M138-I304 HydrophobicContact SD-CD1 4.34Å; P143-I304 HydrophobicContact CG-CD1 3.69Å; L145-I304 VanDerWaalsContact C-CG2 3.45Å; C146-I304 HydrophobicContact CB-CG2 4.15Å; W180-I304 HydrophobicContact CH2-CD1 4.16Å; W180-I304 HydrophobicContact CZ3-CD1 4.19Å; I293-I304 HydrophobicContact CG2-CB 3.89Å; I293-I304 HydrophobicContact CG2-CD1 4.31Å; I293-I304 HydrophobicContact CG2-CG2 4.43Å; I293-I304 PolarHBondContact O-N 3.44Å; I293-I304 VanDerWaalsContact O-N 3.15Å; A294-I304 VanDerWaalsContact CA-O 3.26Å; A294-I304 WeakPolarHBondContact CA-O 3.4Å; F302-I304 HydrophobicContact CB-CD1 3.54Å; F302-I304 HydrophobicContact CB-CG1 3.83Å; F302-I304 HydrophobicContact CD2-CD1 4.2Å; F302-I304 HydrophobicContact CG-CD1 4.25Å; F302-I304 PolarHBondContact O-N 2.68Å; I304-V306 PolarHBondContact O-N 3.09Å
305P90.1Very high88.6Confident33 Ų3333.7 Ų33.721%0.21421%0.208CC..  trans-59.6140.6178.423.7-31.2000110.9S144 L145 C146 L417 L430 W434S144-P305 WeakPolarHBondContact O-CD 3.42Å; S144-P305 VanDerWaalsContact O-CG 3.32Å; S144-P305 WeakPolarHBondContact O-CG 3.48Å; L145-P305 HydrophobicContact CD1-CG 4.34Å; L145-P305 WeakPolarHBondContact CD1-O 3.48Å; C146-P305 PolarHBondContact N-O 2.97Å; P305-L417 HydrophobicContact CB-CD1 4.43Å; P305-L417 HydrophobicContact CB-CD2 3.86Å; P305-L430 HydrophobicContact CG-CD2 4.48Å; P305-W434 HydrophobicContact CG-CZ2 4.19Å
306V93.5Very high88.5Confident5 Ų532.8 Ų32.83%0.0320%0.204CC..EExtended strand (participates in β ladder)trans-115.5138.4178.4-173.30000109.9C146 E290 I293 A294 I304 V329 P330 L417C146-V306 HydrophobicContact CB-CG1 4.45Å; C146-V306 HydrophobicContact CB-CG2 4Å; C146-V306 CarbonylContact O-C 3.55Å; C146-V306 VanDerWaalsContact O-CA 3.3Å; C146-V306 WeakPolarHBondContact O-CA 3.37Å; E290-V306 HydrophobicContact CB-CG1 4.02Å; E290-V306 HydrophobicContact CG-CG1 4.03Å; E290-V306 WeakPolarHBondContact O-CG2 3.29Å; I293-V306 HydrophobicContact CB-CG2 4.31Å; I293-V306 HydrophobicContact CG2-CG2 4.04Å; A294-V306 HydrophobicContact CB-CG2 4.02Å; I304-V306 PolarHBondContact O-N 3.09Å; V306-V329 HydrophobicContact CB-CG1 4.3Å; V306-V329 HydrophobicContact CG1-CG1 4.08Å; V306-P330 VanDerWaalsContact O-CD 3.3Å; V306-P330 WeakPolarHBondContact O-CD 3.39Å; V306-P330 WeakPolarHBondContact O-CG 3.32Å; V306-L417 WeakPolarHBondContact O-CD2 3.47Å
307V94.4Very high88.7Confident0 Ų029.5 Ų29.50%018%0.182CC..EExtended strand (participates in β ladder)trans-131.8137174.263.50000110.1L145 C146 I147 S148 V332 I413 A416 L417L145-V307 HydrophobicContact CD1-CG1 4.11Å; C146-V307 PolarHBondContact O-N 2.98Å; I147-V307 HydrophobicContact CB-CG1 4.45Å; I147-V307 HydrophobicContact CG1-CG1 4.12Å; I147-V307 HydrophobicContact CG2-CG1 4.4Å; S148-V307 PolarHBondContact N-O 3.29Å; V307-V332 HydrophobicContact CG2-CG2 3.78Å; V307-I413 HydrophobicContact CG1-CG2 3.63Å; V307-A416 HydrophobicContact CG2-CB 4.26Å; V307-L417 HydrophobicContact CB-CD1 4.38Å; V307-L417 HydrophobicContact CB-CD2 3.99Å; V307-L417 HydrophobicContact CB-CG 4.15Å; V307-L417 HydrophobicContact CG1-CD1 4.43Å
308L95.6Very high89.1Confident0 Ų024 Ų240%016%0.157CC..EExtended strand (participates in β ladder)trans-98.5126176.1-17969.6000110.1S148 I150 I310 V329 P330 V331 V332S148-L308 CarbonylContact O-C 3.58Å; S148-L308 WeakPolarHBondContact O-CA 3.33Å; I150-L308 HydrophobicContact CB-CD1 4.37Å; I150-L308 HydrophobicContact CD1-CD1 3.99Å; I150-L308 HydrophobicContact CD1-CD2 3.82Å; I150-L308 HydrophobicContact CD1-CG 4.21Å; I150-L308 HydrophobicContact CG1-CD1 3.81Å; I150-L308 HydrophobicContact CG1-CD2 4.38Å; I150-L308 HydrophobicContact CG1-CG 4.22Å; I150-L308 HydrophobicContact CG2-CD1 3.79Å; L308-I310 HydrophobicContact CD2-CD1 4.26Å; L308-I310 HydrophobicContact CD2-CG1 4.24Å; L308-I310 HydrophobicContact CG-CG1 4.24Å; L308-V329 HydrophobicContact CB-CG1 4.46Å; L308-P330 PolarHBondContact N-O 3.29Å; L308-V331 HydrophobicContact CB-CG2 4.23Å; L308-V331 HydrophobicContact CD2-CG1 4.18Å; L308-V331 HydrophobicContact CD2-CG2 4Å; L308-V331 CarbonylContact O-C 3.49Å; L308-V331 WeakPolarHBondContact O-CA 3.47Å; L308-V332 PolarHBondContact O-N 3.02Å
309V95.9Very high89.5Confident0 Ų016.5 Ų16.50%012%0.123CC..EExtended strand (participates in β ladder)trans-107.6124.3174.7-176.50000109.1I147 S148 I150 F166 V311 V332 I413I147-V309 HydrophobicContact CG2-CG2 3.8Å; S148-V309 PolarHBondContact O-N 3.19Å; I150-V309 PolarHBondContact N-O 3.14Å; F166-V309 HydrophobicContact CE2-CG1 4.45Å; V309-V311 HydrophobicContact CG1-CG2 4.19Å; V309-V332 HydrophobicContact CG2-CB 4.42Å; V309-I413 HydrophobicContact CG2-CD1 4.06Å; V309-I413 HydrophobicContact CG2-CG1 3.96Å
310I95.2Very high89.8Confident0 Ų014.8 Ų14.80%011%0.106CC..EExtended strand (participates in β ladder)trans-108121.8-179.1-57.1-173.7000109.7I150 L308 V317 A321 V331 V332 C334 A341 L344I150-I310 HydrophobicContact CD1-CD1 4.12Å; I150-I310 HydrophobicContact CD1-CG1 3.9Å; I150-I310 HydrophobicContact CG1-CB 4.41Å; I150-I310 HydrophobicContact CG1-CG1 3.77Å; I150-I310 WeakPolarHBondContact O-CA 3.18Å; L308-I310 HydrophobicContact CD2-CD1 4.26Å; L308-I310 HydrophobicContact CD2-CG1 4.24Å; L308-I310 HydrophobicContact CG-CG1 4.24Å; I310-V317 HydrophobicContact CD1-CG1 4.02Å; I310-V317 HydrophobicContact CG1-CG1 4.5Å; I310-V317 HydrophobicContact CG2-CG1 3.46Å; I310-V317 VanDerWaalsContact CG2-CG1 3.46Å; I310-A321 HydrophobicContact CD1-CB 3.84Å; I310-V331 HydrophobicContact CD1-CG1 3.4Å; I310-V331 HydrophobicContact CG1-CG1 3.8Å; I310-V332 PolarHBondContact N-O 2.85Å; I310-C334 VanDerWaalsContact O-CB 3.32Å; I310-C334 WeakPolarHBondContact O-CB 3.45Å; I310-C334 PolarHBondContact O-N 3.44Å; I310-A341 HydrophobicContact CG2-CB 4.36Å; I310-L344 HydrophobicContact CD1-CD1 4.01Å
311V93.2Very high90.4Very high0 Ų012.5 Ų12.50%08%0.082CC..EExtended strand (participates in β ladder)trans-124.1111177.5-168.10000110I150 G151 G152 F156 F166 I190 V309 C334 T337I150-V311 PolarHBondContact O-N 3.15Å; G151-V311 CarbonylContact C-O 3.6Å; G151-V311 WeakPolarHBondContact CA-O 2.94Å; G152-V311 PolarHBondContact N-O 3.33Å; F156-V311 HydrophobicContact CE2-CG1 4.14Å; F156-V311 HydrophobicContact CZ-CG1 3.86Å; F166-V311 HydrophobicContact CD2-CG2 4Å; F166-V311 HydrophobicContact CE2-CG2 3.45Å; F166-V311 VanDerWaalsContact CE2-CG2 3.45Å; F166-V311 HydrophobicContact CZ-CG2 4.03Å; I190-V311 HydrophobicContact CD1-CB 3.77Å; I190-V311 HydrophobicContact CD1-CG1 3.69Å; I190-V311 HydrophobicContact CD1-CG2 4.05Å; I190-V311 HydrophobicContact CG1-CB 4Å; I190-V311 HydrophobicContact CG1-CG1 4.45Å; I190-V311 HydrophobicContact CG1-CG2 4.3Å; V309-V311 HydrophobicContact CG1-CG2 4.19Å; V311-C334 HydrophobicContact CG2-CB 4.42Å; V311-T337 HydrophobicContact CG1-CG2 3.96Å
312E90.8Very high90.7Very high14 Ų1415.4 Ų15.47%0.0659%0.091CC..SBendtrans51.9-143.2-171.1-157-173.813800111.3F156 T337 R339F156-E312 HydrophobicContact CD2-CB 3.89Å; F156-E312 HydrophobicContact CD2-CG 4.35Å; F156-E312 WeakPolarHBondContact CD2-OE2 3.37Å; F156-E312 HydrophobicContact CE2-CB 3.62Å; F156-E312 HydrophobicContact CE2-CG 4.42Å; F156-E312 WeakPolarHBondContact CE2-OE2 3.22Å; E312-T337 WeakPolarHBondContact CG-O 3.44Å; E312-T337 PolarHBondContact N-OG1 3.4Å; E312-R339 HydrophobicContact CG-CB 4Å; E312-R339 HydrophobicContact CG-CG 4.04Å; E312-R339 WeakPolarHBondContact OE1-CD 3.36Å; E312-R339 IonicContact OE1-CZ 3.66Å; E312-R339 IonicContact OE1-NE 3.04Å; E312-R339 PolarHBondContact OE1-NE 2.87Å; E312-R339 IonicContact OE1-NH1 3.94Å; E312-R339 PolarHBondContact OE1-NH1 3.45Å; E312-R339 IonicContact OE1-NH2 2.84Å; E312-R339 PolarHBondContact OE1-NH2 3.32Å
313G88.9Confident90.7Very high1 Ų116 Ų161%0.0110%0.095CC..  trans125.9163.8174.600000115.6R339 A340G313-R339 WeakPolarHBondContact O-CB 3.46Å; G313-A340 VanDerWaalsContact O-CB 3.28Å; G313-A340 WeakPolarHBondContact O-CB 3.39Å; G313-A340 PolarHBondContact O-N 2.88Å
314G87.6Confident90.9Very high21 Ų2114.4 Ų14.422%0.2168%0.078CC..  trans-103.2-155173.100000112.5D316 V317 A340G314-D316 VanDerWaalsContact C-N 3.26Å; G314-D316 VanDerWaalsContact CA-OD1 3.29Å; G314-D316 WeakPolarHBondContact CA-OD1 3.42Å; G314-D316 PolarHBondContact N-OD1 3.22Å; G314-D316 PolarHBondContact O-N 3.33Å; G314-V317 PolarHBondContact O-N 3.43Å; G314-A340 WeakPolarHBondContact O-CB 2.95Å
315H87.7Confident90.9Very high29 Ų2915 Ų1513%0.1348%0.081CC..Hα-helixtrans-65.6-29.4176.8-17680000113.5V317 F318 S376H315-V317 VanDerWaalsContact C-N 3.32Å; H315-V317 PolarHBondContact O-N 3.41Å; H315-F318 PolarHBondContact O-N 3.07Å; H315-S376 VanDerWaalsContact ND1-CB 3.31Å; H315-S376 WeakPolarHBondContact ND1-CB 3.26Å; H315-S376 PolarHBondContact ND1-OG 3.15Å
316D86.1Confident90.8Very high38 Ų3819.2 Ų19.220%0.20310%0.095CC..Hα-helixtrans-58.1-40.4176.352.9-20.1000112.6G314 F318 I319 D320G314-D316 VanDerWaalsContact C-N 3.26Å; G314-D316 VanDerWaalsContact CA-OD1 3.29Å; G314-D316 WeakPolarHBondContact CA-OD1 3.42Å; G314-D316 PolarHBondContact N-OD1 3.22Å; G314-D316 PolarHBondContact O-N 3.33Å; D316-F318 PolarHBondContact O-N 2.98Å; D316-I319 WeakPolarHBondContact O-CA 3.28Å; D316-I319 WeakPolarHBondContact O-CB 3.41Å; D316-I319 PolarHBondContact O-N 3.31Å; D316-D320 PolarHBondContact O-N 2.93Å
317V90.2Very high90.4Very high1 Ų122 Ų221%0.00611%0.108CC..Hα-helixtrans-58.6-35177168.40000112.4I150 I310 G314 H315 I319 D320 A321 A340I150-V317 HydrophobicContact CD1-CG1 4.09Å; I150-V317 HydrophobicContact CD1-CG2 4.41Å; I310-V317 HydrophobicContact CD1-CG1 4.02Å; I310-V317 HydrophobicContact CG1-CG1 4.5Å; I310-V317 HydrophobicContact CG2-CG1 3.46Å; I310-V317 VanDerWaalsContact CG2-CG1 3.46Å; G314-V317 PolarHBondContact O-N 3.43Å; H315-V317 VanDerWaalsContact C-N 3.32Å; H315-V317 PolarHBondContact O-N 3.41Å; V317-I319 VanDerWaalsContact C-N 3.32Å; V317-I319 PolarHBondContact O-N 2.87Å; V317-D320 PolarHBondContact O-N 2.83Å; V317-A321 WeakPolarHBondContact O-CB 3.43Å; V317-A321 PolarHBondContact O-N 2.76Å; V317-A340 HydrophobicContact CB-CB 4.25Å; V317-A340 HydrophobicContact CG1-CB 4.27Å
318F90.9Very high90.1Very high0 Ų030.9 Ų30.90%014%0.142CC..Hα-helixtrans-67.8-34175.6-54.6-54.8000112.3H315 D316 R322 A340 I343 L344 L372 V375 A384 I388H315-F318 PolarHBondContact O-N 3.07Å; D316-F318 PolarHBondContact O-N 2.98Å; F318-R322 WeakPolarHBondContact O-CB 3.36Å; F318-R322 PolarHBondContact O-N 2.86Å; F318-R322 VanDerWaalsContact O-N 3.09Å; F318-A340 HydrophobicContact CE1-CB 3.89Å; F318-A340 HydrophobicContact CE2-CB 4.37Å; F318-A340 HydrophobicContact CZ-CB 3.73Å; F318-I343 HydrophobicContact CZ-CG2 4.37Å; F318-L344 HydrophobicContact CD1-CD1 4.33Å; F318-L344 HydrophobicContact CD1-CD2 3.93Å; F318-L344 HydrophobicContact CD1-CG 4.09Å; F318-L344 HydrophobicContact CE1-CD1 4.4Å; F318-L344 HydrophobicContact CE1-CD2 4.01Å; F318-L344 HydrophobicContact CE1-CG 3.86Å; F318-L372 HydrophobicContact CE2-CD2 3.68Å; F318-L372 HydrophobicContact CZ-CD2 3.77Å; F318-V375 HydrophobicContact CE2-CG1 4.35Å; F318-A384 HydrophobicContact CD2-CB 4.43Å; F318-I388 HydrophobicContact CD1-CD1 4.16Å; F318-I388 HydrophobicContact CD1-CG1 3.95Å; F318-I388 HydrophobicContact CE1-CD1 3.85Å; F318-I388 HydrophobicContact CE1-CG1 4.1Å; F318-I388 HydrophobicContact CZ-CD1 4.15Å
319I88.3Confident89.8Confident43 Ų4331.1 Ų31.122%0.22114%0.143CC..Hα-helixtrans-68.9-46.4177.6-58.7173.2000109.2D316 V317 R322 N323 M387D316-I319 WeakPolarHBondContact O-CA 3.28Å; D316-I319 WeakPolarHBondContact O-CB 3.41Å; D316-I319 PolarHBondContact O-N 3.31Å; V317-I319 VanDerWaalsContact C-N 3.32Å; V317-I319 PolarHBondContact O-N 2.87Å; I319-R322 PolarHBondContact O-N 3.34Å; I319-N323 PolarHBondContact O-N 3.2Å; I319-N323 PolarHBondContact O-ND2 3.4Å; I319-N323 PolarHBondContact O-OD1 3.31Å; I319-M387 HydrophobicContact CG1-CE 4.3Å; I319-M387 HydrophobicContact CG1-SD 3.98Å
320D88.7Confident89.7Confident21 Ų2131.5 Ų31.511%0.11215%0.145CC..Hα-helixtrans-65.8-45.8-179.2-71.7-3.5000111.9I150 A283 R286 D316 V317 R322 N323 S324I150-D320 HydrophobicContact CD1-CB 3.68Å; A283-D320 WeakPolarHBondContact CB-OD1 3.23Å; R286-D320 IonicContact CZ-OD2 2.73Å; R286-D320 VanDerWaalsContact NH2-CG 3.27Å; R286-D320 IonicContact NH2-OD1 3.79Å; R286-D320 IonicContact NH2-OD2 3.66Å; R286-D320 PolarHBondContact NH2-OD2 3.03Å; D316-D320 PolarHBondContact O-N 2.93Å; V317-D320 PolarHBondContact O-N 2.83Å; D320-R322 VanDerWaalsContact C-N 3.33Å; D320-R322 PolarHBondContact O-N 3.41Å; D320-N323 PolarHBondContact O-N 2.83Å; D320-S324 WeakPolarHBondContact O-CB 3.31Å; D320-S324 PolarHBondContact O-N 3.04Å; D320-S324 PolarHBondContact O-OG 3.14Å
321A90.9Very high89.7Confident0 Ų031.6 Ų31.60%015%0.146CC..Hα-helixtrans-61.2-42.217600000111.5I310 V317 N323 S324 I325 I391I310-A321 HydrophobicContact CD1-CB 3.84Å; V317-A321 WeakPolarHBondContact O-CB 3.43Å; V317-A321 PolarHBondContact O-N 2.76Å; A321-N323 PolarHBondContact O-N 3.06Å; A321-S324 PolarHBondContact O-N 2.91Å; A321-I325 WeakPolarHBondContact O-CB 3.34Å; A321-I325 WeakPolarHBondContact O-CG1 3.45Å; A321-I325 PolarHBondContact O-N 3.18Å; A321-I391 HydrophobicContact CB-CD1 3.85Å; A321-I391 HydrophobicContact CB-CG1 4.4Å
322R90.6Very high89.8Confident69 Ų6931.6 Ų31.626%0.2615%0.146SC..Hα-helixtrans-61.8-44.4175.8-177.2-162.872.7-178.2-2111.6F318 I319 D320 S324 K326 L390 I391F318-R322 WeakPolarHBondContact O-CB 3.36Å; F318-R322 PolarHBondContact O-N 2.86Å; F318-R322 VanDerWaalsContact O-N 3.09Å; I319-R322 PolarHBondContact O-N 3.34Å; D320-R322 VanDerWaalsContact C-N 3.33Å; D320-R322 PolarHBondContact O-N 3.41Å; R322-S324 VanDerWaalsContact C-N 3.34Å; R322-K326 WeakPolarHBondContact O-CG 3.44Å; R322-K326 PolarHBondContact O-N 3.47Å; R322-L390 HydrophobicContact CG-CD2 4.13Å; R322-I391 HydrophobicContact CB-CD1 4.29Å; R322-I391 HydrophobicContact CB-CG1 4.15Å
323N89.1Confident90Very high24 Ų2431 Ų3113%0.12814%0.143CC..Hα-helixtrans-64.6-42.2179.9-65.2-16.9000110.5A287 I319 D320 A321 K326 E327A287-N323 HydrophobicContact CB-CB 4.09Å; I319-N323 PolarHBondContact O-N 3.2Å; I319-N323 PolarHBondContact O-ND2 3.4Å; I319-N323 PolarHBondContact O-OD1 3.31Å; D320-N323 PolarHBondContact O-N 2.83Å; A321-N323 PolarHBondContact O-N 3.06Å; N323-K326 PolarHBondContact O-N 3.14Å; N323-E327 WeakPolarHBondContact O-CG 3.44Å; N323-E327 PolarHBondContact O-N 2.92Å
324S90.2Very high90.3Very high3 Ų330.9 Ų30.92%0.02114%0.143CC..Hα-helixtrans-64.7-43.3178.5-51.60000112.3D320 A321 R322 K326 E327 R328 V329D320-S324 WeakPolarHBondContact O-CB 3.31Å; D320-S324 PolarHBondContact O-N 3.04Å; D320-S324 PolarHBondContact O-OG 3.14Å; A321-S324 PolarHBondContact O-N 2.91Å; R322-S324 VanDerWaalsContact C-N 3.34Å; S324-K326 PolarHBondContact O-N 3.3Å; S324-E327 CarbonylContact O-C 3.57Å; S324-E327 PolarHBondContact O-N 2.8Å; S324-E327 VanDerWaalsContact O-N 3.15Å; S324-R328 PolarHBondContact O-N 3.14Å; S324-V329 WeakPolarHBondContact O-CB 3.45Å; S324-V329 PolarHBondContact O-N 3.48Å
325I90.1Very high90.5Very high14 Ų1430.1 Ų30.17%0.07213%0.134CC..Hα-helixtrans-68.1-35.8177.9-72.5174.8000112.2A321 E327 R328 V331 I391 L397 I398A321-I325 WeakPolarHBondContact O-CB 3.34Å; A321-I325 WeakPolarHBondContact O-CG1 3.45Å; A321-I325 PolarHBondContact O-N 3.18Å; I325-E327 PolarHBondContact O-N 2.83Å; I325-R328 WeakPolarHBondContact O-CA 3.25Å; I325-R328 PolarHBondContact O-N 3.07Å; I325-V331 HydrophobicContact CD1-CG2 4.03Å; I325-V331 HydrophobicContact CG1-CG2 3.71Å; I325-I391 HydrophobicContact CD1-CB 3.91Å; I325-I391 HydrophobicContact CD1-CG1 4.09Å; I325-I391 HydrophobicContact CD1-CG2 3.52Å; I325-L397 HydrophobicContact CG2-CD1 4.2Å; I325-I398 HydrophobicContact CD1-CD1 4.14Å; I325-I398 HydrophobicContact CD1-CG1 4.19Å
326K88Confident90.4Very high120 Ų12029.6 Ų29.652%0.52214%0.136SC..Hα-helixtrans-57.9-35.9172.6-80.9-178.8176.5-169.10111.7R322 N323 S324 R328 L390R322-K326 WeakPolarHBondContact O-CG 3.44Å; R322-K326 PolarHBondContact O-N 3.47Å; N323-K326 PolarHBondContact O-N 3.14Å; S324-K326 PolarHBondContact O-N 3.3Å; K326-R328 PolarHBondContact O-N 2.79Å; K326-L390 HydrophobicContact CG-CD2 4.42Å
327E86.5Confident90.6Very high63 Ų6328.5 Ų28.529%0.29413%0.131SC..THydrogen-bonded Turntrans-86.310.3175.8-54.5-55.5167.500113.6K291 N323 S324 I325 V329K291-E327 HydrophobicContact CB-CB 4.13Å; K291-E327 HydrophobicContact CB-CG 4.4Å; K291-E327 HydrophobicContact CD-CB 4.32Å; K291-E327 HydrophobicContact CD-CG 4.29Å; K291-E327 WeakPolarHBondContact CD-OE2 3.48Å; K291-E327 WeakPolarHBondContact CE-OE2 3.47Å; K291-E327 HydrophobicContact CG-CB 4.21Å; K291-E327 IonicContact NZ-OE2 2.69Å; K291-E327 PolarHBondContact NZ-OE2 3.07Å; N323-E327 WeakPolarHBondContact O-CG 3.44Å; N323-E327 PolarHBondContact O-N 2.92Å; S324-E327 CarbonylContact O-C 3.57Å; S324-E327 PolarHBondContact O-N 2.8Å; S324-E327 VanDerWaalsContact O-N 3.15Å; I325-E327 PolarHBondContact O-N 2.83Å; E327-V329 VanDerWaalsContact C-N 3.27Å; E327-V329 HydrophobicContact CB-CG2 4.43Å; E327-V329 PolarHBondContact O-N 2.95Å
328R87.8Confident90.4Very high187 Ų18729.3 Ų29.371%0.70614%0.139SC*.THydrogen-bonded Turntrans59.729.8-179.2-46-167.491.7146.87.7114.4S324 I325 K326 L397S324-R328 PolarHBondContact O-N 3.14Å; I325-R328 WeakPolarHBondContact O-CA 3.25Å; I325-R328 PolarHBondContact O-N 3.07Å; K326-R328 PolarHBondContact O-N 2.79Å; R328-L397 HydrophobicContact CB-CD2 4.48Å; R328-L397 WeakPolarHBondContact O-CD2 3.3Å
329V89.8Confident90.3Very high5 Ų534.8 Ų34.83%0.0316%0.16CC..  trans-80.8126.4171.4-179.80000109.2V306 L308 S324 E327V306-V329 HydrophobicContact CB-CG1 4.3Å; V306-V329 HydrophobicContact CG1-CG1 4.08Å; L308-V329 HydrophobicContact CB-CG1 4.46Å; S324-V329 WeakPolarHBondContact O-CB 3.45Å; S324-V329 PolarHBondContact O-N 3.48Å; E327-V329 VanDerWaalsContact C-N 3.27Å; E327-V329 HydrophobicContact CB-CG2 4.43Å; E327-V329 PolarHBondContact O-N 2.95Å
330P93.1Very high90.5Very high8 Ų832.8 Ų32.85%0.05215%0.149CC..  trans-67.3145.8175.423-29.5000112.3V306 L308 L397 A416 L417 T420V306-P330 VanDerWaalsContact O-CD 3.3Å; V306-P330 WeakPolarHBondContact O-CD 3.39Å; V306-P330 WeakPolarHBondContact O-CG 3.32Å; L308-P330 PolarHBondContact N-O 3.29Å; P330-L397 CarbonylContact C-O 3.42Å; P330-L397 VanDerWaalsContact CA-O 3.23Å; P330-L397 WeakPolarHBondContact CA-O 3.4Å; P330-L397 HydrophobicContact CB-CD2 4.49Å; P330-A416 HydrophobicContact CB-CB 4.48Å; P330-L417 HydrophobicContact CG-CD2 3.72Å; P330-T420 HydrophobicContact CB-CG2 3.82Å; P330-T420 HydrophobicContact CG-CG2 4.15Å
331V94.8Very high90.7Very high2 Ų231.8 Ų31.81%0.01214%0.144CC..EExtended strand (participates in β ladder)trans-122.6128.6-174.6-175.50000110.1L308 I310 I325 I333 L397 I398 T399L308-V331 HydrophobicContact CB-CG2 4.23Å; L308-V331 HydrophobicContact CD2-CG1 4.18Å; L308-V331 HydrophobicContact CD2-CG2 4Å; L308-V331 CarbonylContact O-C 3.49Å; L308-V331 WeakPolarHBondContact O-CA 3.47Å; I310-V331 HydrophobicContact CD1-CG1 3.4Å; I310-V331 HydrophobicContact CG1-CG1 3.8Å; I325-V331 HydrophobicContact CD1-CG2 4.03Å; I325-V331 HydrophobicContact CG1-CG2 3.71Å; V331-I333 HydrophobicContact CG1-CG1 4.25Å; V331-L397 PolarHBondContact N-O 2.97Å; V331-I398 WeakPolarHBondContact O-CA 3.44Å; V331-T399 PolarHBondContact O-N 3.41Å
332V95.8Very high90.8Very high0 Ų034.1 Ų34.10%016%0.157CC..EExtended strand (participates in β ladder)trans-104.3119.3172-178.80000108.4V307 L308 V309 I310 T399 F401 A416V307-V332 HydrophobicContact CG2-CG2 3.78Å; L308-V332 PolarHBondContact O-N 3.02Å; V309-V332 HydrophobicContact CG2-CB 4.42Å; I310-V332 PolarHBondContact N-O 2.85Å; V332-T399 CarbonylContact C-O 3.31Å; V332-T399 VanDerWaalsContact CA-O 3.3Å; V332-T399 WeakPolarHBondContact CA-O 3.36Å; V332-F401 HydrophobicContact CG1-CB 4.41Å; V332-A416 HydrophobicContact CG2-CB 3.55Å
333I95.6Very high90.9Very high1 Ų131.1 Ų31.11%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-100.7115178.7-58.1161.4000108.1V331 S335 A341 L344 D345 I398 T399 T400 F401V331-I333 HydrophobicContact CG1-CG1 4.25Å; I333-S335 PolarHBondContact O-N 3.17Å; I333-S335 VanDerWaalsContact O-N 3.17Å; I333-A341 HydrophobicContact CG2-CB 4.15Å; I333-A341 VanDerWaalsContact CG2-O 3.26Å; I333-A341 WeakPolarHBondContact CG2-O 3.37Å; I333-L344 HydrophobicContact CD1-CB 3.76Å; I333-L344 HydrophobicContact CG1-CB 4.39Å; I333-L344 HydrophobicContact CG2-CB 4.28Å; I333-D345 HydrophobicContact CG2-CB 4.3Å; I333-I398 HydrophobicContact CD1-CG2 3.6Å; I333-I398 HydrophobicContact CG1-CG2 4.48Å; I333-T399 PolarHBondContact N-O 3.48Å; I333-T400 HydrophobicContact CB-CG2 4.35Å; I333-T400 HydrophobicContact CD1-CG2 4.23Å; I333-F401 PolarHBondContact O-N 2.99Å
334C94.5Very high91.1Very high0 Ų030 Ų300%014%0.139CC..EExtended strand (participates in β ladder)trans-82.288.3174.4-61.90000109.9I310 V311 T337 F401 M403I310-C334 VanDerWaalsContact O-CB 3.32Å; I310-C334 WeakPolarHBondContact O-CB 3.45Å; I310-C334 PolarHBondContact O-N 3.44Å; V311-C334 HydrophobicContact CG2-CB 4.42Å; C334-T337 HydrophobicContact CB-CG2 4.31Å; C334-T337 WeakPolarHBondContact O-CG2 3.22Å; C334-T337 PolarHBondContact O-OG1 3.1Å; C334-F401 CarbonylContact C-O 3.58Å; C334-F401 WeakPolarHBondContact CA-O 3.3Å; C334-M403 HydrophobicContact CB-CG 4.27Å; C334-M403 HydrophobicContact CB-SD 3.78Å
335S91.3Very high91.3Very high5 Ų531.2 Ų31.24%0.03515%0.146CC..EExtended strand (participates in β ladder)trans-71.3152.5177.260.90000111.5I333 F401 D402 M403I333-S335 PolarHBondContact O-N 3.17Å; I333-S335 VanDerWaalsContact O-N 3.17Å; S335-F401 PolarHBondContact N-O 3.16Å; S335-F401 PolarHBondContact OG-O 3.27Å; S335-F401 VanDerWaalsContact OG-O 3.1Å; S335-D402 VanDerWaalsContact OG-CA 3.23Å; S335-D402 WeakPolarHBondContact OG-CA 3.07Å; S335-D402 PolarHBondContact OG-N 3.27Å; S335-M403 PolarHBondContact O-N 3.31Å; S335-M403 VanDerWaalsContact O-N 3.08Å
336G87.1Confident91.4Very high17 Ų1732.9 Ų32.918%0.17515%0.154CC..THydrogen-bonded Turntrans90.31.1-172.800000113.4K162 D342 N404K162-G336 WeakPolarHBondContact CE-O 3.26Å; K162-G336 PolarHBondContact NZ-O 3.3Å; G336-D342 PolarHBondContact N-OD1 3.21Å; G336-N404 WeakPolarHBondContact CA-ND2 3.44Å
337T88.6Confident91.6Very high16 Ų1627.2 Ų27.210%0.09813%0.129CC..SBendtrans-95.9-13.9176.659.40000113.2L158 V311 E312 C334 A341 D342 M403L158-T337 HydrophobicContact CD1-CG2 4.09Å; V311-T337 HydrophobicContact CG1-CG2 3.96Å; E312-T337 WeakPolarHBondContact CG-O 3.44Å; E312-T337 PolarHBondContact N-OG1 3.4Å; C334-T337 HydrophobicContact CB-CG2 4.31Å; C334-T337 WeakPolarHBondContact O-CG2 3.22Å; C334-T337 PolarHBondContact O-OG1 3.1Å; T337-A341 WeakPolarHBondContact OG1-CB 3.15Å; T337-D342 PolarHBondContact N-OD1 2.92Å; T337-M403 HydrophobicContact CG2-CE 4.31Å; T337-M403 HydrophobicContact CG2-SD 3.25Å; T337-M403 WeakPolarHBondContact CG2-SD 3.34Å
338G85.9Confident91.8Very high17 Ų1724.5 Ų24.518%0.17512%0.117CC..  trans96.1177.5174.200000115.1A340 A341 D342G338-A340 PolarHBondContact O-N 2.91Å; G338-A341 PolarHBondContact O-N 2.94Å; G338-D342 WeakPolarHBondContact CA-OD2 3.49Å; G338-D342 VanDerWaalsContact N-CG 3.34Å; G338-D342 PolarHBondContact N-OD1 3.19Å; G338-D342 PolarHBondContact N-OD2 2.78Å
339R89.9Confident91.9Very high116 Ų11618.7 Ų18.744%0.43810%0.099SC..Hα-helixtrans47.6-120.3176.2-51.6-174-168.415913.7113.3K154 N155 E312 G313 I343 V375K154-R339 PolarHBondContact O-NH1 3.37Å; N155-R339 PolarHBondContact O-NH2 3.08Å; N155-R339 VanDerWaalsContact O-NH2 3.16Å; E312-R339 HydrophobicContact CG-CB 4Å; E312-R339 HydrophobicContact CG-CG 4.04Å; E312-R339 WeakPolarHBondContact OE1-CD 3.36Å; E312-R339 IonicContact OE1-CZ 3.66Å; E312-R339 IonicContact OE1-NE 3.04Å; E312-R339 PolarHBondContact OE1-NE 2.87Å; E312-R339 IonicContact OE1-NH1 3.94Å; E312-R339 PolarHBondContact OE1-NH1 3.45Å; E312-R339 IonicContact OE1-NH2 2.84Å; E312-R339 PolarHBondContact OE1-NH2 3.32Å; G313-R339 WeakPolarHBondContact O-CB 3.46Å; R339-I343 WeakPolarHBondContact O-CD1 3.42Å; R339-I343 VanDerWaalsContact O-CG1 3.24Å; R339-I343 WeakPolarHBondContact O-CG1 3.24Å; R339-I343 PolarHBondContact O-N 3.02Å; R339-V375 HydrophobicContact CB-CG2 4.21Å
340A92Very high91.9Very high0 Ų019.9 Ų19.90%010%0.104CC..Hα-helixtrans-65.2-41-173.300000113.5G313 G314 V317 F318 G338 D342 I343 L344G313-A340 VanDerWaalsContact O-CB 3.28Å; G313-A340 WeakPolarHBondContact O-CB 3.39Å; G313-A340 PolarHBondContact O-N 2.88Å; G314-A340 WeakPolarHBondContact O-CB 2.95Å; V317-A340 HydrophobicContact CB-CB 4.25Å; V317-A340 HydrophobicContact CG1-CB 4.27Å; F318-A340 HydrophobicContact CE1-CB 3.89Å; F318-A340 HydrophobicContact CE2-CB 4.37Å; F318-A340 HydrophobicContact CZ-CB 3.73Å; G338-A340 PolarHBondContact O-N 2.91Å; A340-D342 PolarHBondContact O-N 2.91Å; A340-I343 PolarHBondContact O-N 2.75Å; A340-L344 WeakPolarHBondContact O-CG 3.38Å; A340-L344 PolarHBondContact O-N 3.35Å
341A93.2Very high91.7Very high0 Ų021 Ų210%011%0.108CC..Hα-helixtrans-60-47.7-179.200000111.8I310 I333 T337 G338 I343 L344 D345I310-A341 HydrophobicContact CG2-CB 4.36Å; I333-A341 HydrophobicContact CG2-CB 4.15Å; I333-A341 VanDerWaalsContact CG2-O 3.26Å; I333-A341 WeakPolarHBondContact CG2-O 3.37Å; T337-A341 WeakPolarHBondContact OG1-CB 3.15Å; G338-A341 PolarHBondContact O-N 2.94Å; A341-I343 VanDerWaalsContact C-N 3.33Å; A341-I343 PolarHBondContact O-N 2.73Å; A341-L344 PolarHBondContact O-N 2.74Å; A341-D345 PolarHBondContact O-N 2.86Å
342D92.4Very high91.3Very high50 Ų5025.3 Ų25.327%0.26713%0.13SC..Hα-helixtrans-68.7-30.8178.5-71.52.7000112.9G336 T337 G338 A340 M346G336-D342 PolarHBondContact N-OD1 3.21Å; T337-D342 PolarHBondContact N-OD1 2.92Å; G338-D342 WeakPolarHBondContact CA-OD2 3.49Å; G338-D342 VanDerWaalsContact N-CG 3.34Å; G338-D342 PolarHBondContact N-OD1 3.19Å; G338-D342 PolarHBondContact N-OD2 2.78Å; A340-D342 PolarHBondContact O-N 2.91Å; D342-M346 WeakPolarHBondContact O-CB 3.43Å; D342-M346 PolarHBondContact O-N 3.24Å
343I93.5Very high90.8Very high5 Ų532.6 Ų32.63%0.02616%0.162CC..Hα-helixtrans-68.2-40.9173.5-67.6167.9000110.2F318 R339 A340 A341 A347 L368 K371 L372 V375 I388F318-I343 HydrophobicContact CZ-CG2 4.37Å; R339-I343 WeakPolarHBondContact O-CD1 3.42Å; R339-I343 VanDerWaalsContact O-CG1 3.24Å; R339-I343 WeakPolarHBondContact O-CG1 3.24Å; R339-I343 PolarHBondContact O-N 3.02Å; A340-I343 PolarHBondContact O-N 2.75Å; A341-I343 VanDerWaalsContact C-N 3.33Å; A341-I343 PolarHBondContact O-N 2.73Å; I343-A347 VanDerWaalsContact O-CB 3.31Å; I343-A347 WeakPolarHBondContact O-CB 3.18Å; I343-A347 PolarHBondContact O-N 3.37Å; I343-L368 HydrophobicContact CG2-CD2 4.07Å; I343-K371 HydrophobicContact CD1-CB 3.94Å; I343-K371 HydrophobicContact CG1-CB 4.02Å; I343-K371 HydrophobicContact CG1-CD 4.3Å; I343-L372 HydrophobicContact CD1-CD2 4.38Å; I343-L372 HydrophobicContact CG2-CD2 4.22Å; I343-L372 HydrophobicContact CG2-CG 4.36Å; I343-V375 HydrophobicContact CD1-CB 4.35Å; I343-V375 HydrophobicContact CD1-CG2 3.67Å; I343-I388 HydrophobicContact CG2-CD1 3.92Å
344L93.6Very high90.1Very high0 Ų035.2 Ų35.20%017%0.174CC..Hα-helixtrans-65.6-44.5175.8-74.2174.7000111.8I310 F318 I333 A340 A341 A347 F348 I388 I391I310-L344 HydrophobicContact CD1-CD1 4.01Å; F318-L344 HydrophobicContact CD1-CD1 4.33Å; F318-L344 HydrophobicContact CD1-CD2 3.93Å; F318-L344 HydrophobicContact CD1-CG 4.09Å; F318-L344 HydrophobicContact CE1-CD1 4.4Å; F318-L344 HydrophobicContact CE1-CD2 4.01Å; F318-L344 HydrophobicContact CE1-CG 3.86Å; I333-L344 HydrophobicContact CD1-CB 3.76Å; I333-L344 HydrophobicContact CG1-CB 4.39Å; I333-L344 HydrophobicContact CG2-CB 4.28Å; A340-L344 WeakPolarHBondContact O-CG 3.38Å; A340-L344 PolarHBondContact O-N 3.35Å; A341-L344 PolarHBondContact O-N 2.74Å; L344-A347 PolarHBondContact O-N 3.49Å; L344-F348 WeakPolarHBondContact O-CB 3.17Å; L344-F348 PolarHBondContact O-N 3.16Å; L344-I388 HydrophobicContact CD2-CG1 4.04Å; L344-I388 HydrophobicContact CD2-CG2 4.46Å; L344-I391 HydrophobicContact CD2-CD1 4.21Å; L344-I391 HydrophobicContact CD2-CG2 4.05Å
345D93.3Very high89.1Confident29 Ų2943.2 Ų43.216%0.15522%0.217CC..Hα-helixtrans-61.2-46175.6177.455.9000111.2I333 A341 A347 F348 N349 T400I333-D345 HydrophobicContact CG2-CB 4.3Å; A341-D345 PolarHBondContact O-N 2.86Å; D345-A347 PolarHBondContact O-N 3.42Å; D345-F348 PolarHBondContact O-N 2.89Å; D345-N349 WeakPolarHBondContact O-CB 3.38Å; D345-N349 VanDerWaalsContact O-CG 3.31Å; D345-N349 PolarHBondContact O-N 3.2Å; D345-N349 PolarHBondContact O-ND2 3.25Å; D345-N349 PolarHBondContact OD1-ND2 2.75Å; D345-N349 PolarHBondContact OD2-ND2 2.75Å; D345-T400 HydrophobicContact CB-CG2 4.44Å; D345-T400 WeakPolarHBondContact OD1-CB 3.44Å; D345-T400 WeakPolarHBondContact OD1-CG2 3.44Å
346M92.4Very high88.4Confident50 Ų5051.6 Ų51.625%0.24626%0.255CS..Hα-helixtrans-58.6-45.5174.8178.5172.2-74.600112.2D342 F348 N349 F350 I367 L368 K371D342-M346 WeakPolarHBondContact O-CB 3.43Å; D342-M346 PolarHBondContact O-N 3.24Å; M346-F348 VanDerWaalsContact C-N 3.34Å; M346-N349 PolarHBondContact O-N 2.96Å; M346-F350 HydrophobicContact CG-CD2 4.24Å; M346-F350 HydrophobicContact CG-CE2 3.59Å; M346-F350 HydrophobicContact CG-CZ 3.82Å; M346-F350 WeakPolarHBondContact O-CD2 3.28Å; M346-F350 WeakPolarHBondContact O-CG 3.32Å; M346-F350 PolarHBondContact O-N 2.82Å; M346-F350 HydrophobicContact SD-CE2 4.2Å; M346-F350 HydrophobicContact SD-CZ 4.28Å; M346-I367 HydrophobicContact SD-CG2 4Å; M346-L368 HydrophobicContact CG-CD2 4.5Å; M346-K371 VanDerWaalsContact CE-NZ 3.33Å; M346-K371 HydrophobicContact SD-CD 4.18Å
347A91.7Very high87.9Confident0 Ų051.7 Ų51.70%025%0.251CS..Hα-helixtrans-64.4-39.3177.400000112I343 L344 D345 F350 R351 F360 L368 I388 V392I343-A347 VanDerWaalsContact O-CB 3.31Å; I343-A347 WeakPolarHBondContact O-CB 3.18Å; I343-A347 PolarHBondContact O-N 3.37Å; L344-A347 PolarHBondContact O-N 3.49Å; D345-A347 PolarHBondContact O-N 3.42Å; A347-F350 PolarHBondContact O-N 2.96Å; A347-R351 PolarHBondContact O-N 2.99Å; A347-F360 HydrophobicContact CB-CE1 4.42Å; A347-F360 HydrophobicContact CB-CZ 3.96Å; A347-F360 WeakPolarHBondContact O-CE1 3.49Å; A347-L368 HydrophobicContact CB-CD1 4.3Å; A347-L368 HydrophobicContact CB-CD2 4.07Å; A347-I388 HydrophobicContact CB-CG2 3.4Å; A347-I388 VanDerWaalsContact CB-CG2 3.4Å; A347-V392 HydrophobicContact CB-CG2 4.16Å
348F91.5Very high87.3Confident6 Ų657 Ų573%0.02628%0.284CS..Hα-helixtrans-64.4-41.7175.5-170.2-109.5000111.7L344 D345 M346 F350 R351 L352 V392 T395 I398 T400L344-F348 WeakPolarHBondContact O-CB 3.17Å; L344-F348 PolarHBondContact O-N 3.16Å; D345-F348 PolarHBondContact O-N 2.89Å; M346-F348 VanDerWaalsContact C-N 3.34Å; F348-F350 VanDerWaalsContact C-N 3.32Å; F348-F350 PolarHBondContact O-N 2.6Å; F348-R351 WeakPolarHBondContact O-CB 3.42Å; F348-R351 PolarHBondContact O-N 3.19Å; F348-L352 HydrophobicContact CD1-CD1 3.87Å; F348-L352 HydrophobicContact CD1-CG 4.28Å; F348-L352 HydrophobicContact CE1-CD1 3.7Å; F348-L352 HydrophobicContact CE1-CD2 4.22Å; F348-L352 HydrophobicContact CE1-CG 4.07Å; F348-L352 HydrophobicContact CZ-CD1 4.45Å; F348-L352 HydrophobicContact CZ-CD2 4.16Å; F348-L352 HydrophobicContact CZ-CG 4.39Å; F348-L352 WeakPolarHBondContact O-CG 3.29Å; F348-L352 PolarHBondContact O-N 3.48Å; F348-V392 HydrophobicContact CD2-CG1 4.07Å; F348-T395 HydrophobicContact CE2-CG2 4.41Å; F348-I398 HydrophobicContact CD1-CG2 4.2Å; F348-I398 HydrophobicContact CD2-CB 3.94Å; F348-I398 HydrophobicContact CD2-CD1 4.02Å; F348-I398 HydrophobicContact CD2-CG2 3.61Å; F348-I398 HydrophobicContact CE1-CG2 4.21Å; F348-I398 HydrophobicContact CE2-CB 3.58Å; F348-I398 HydrophobicContact CE2-CD1 4.24Å; F348-I398 HydrophobicContact CE2-CG1 4.49Å; F348-I398 HydrophobicContact CE2-CG2 3.67Å; F348-I398 HydrophobicContact CG-CG2 3.9Å; F348-I398 HydrophobicContact CZ-CB 4.02Å; F348-I398 HydrophobicContact CZ-CG2 3.96Å; F348-T400 HydrophobicContact CB-CG2 4.42Å; F348-T400 HydrophobicContact CD1-CG2 3.63Å; F348-T400 HydrophobicContact CE1-CG2 4.25Å; F348-T400 HydrophobicContact CG-CG2 4.26Å
349N90.7Very high87.1Confident65 Ų6559.2 Ų59.235%0.34830%0.296SS..Hα-helixtrans-63.8-35.1175.1-72.7-40.4000112.7D345 M346D345-N349 WeakPolarHBondContact O-CB 3.38Å; D345-N349 VanDerWaalsContact O-CG 3.31Å; D345-N349 PolarHBondContact O-N 3.2Å; D345-N349 PolarHBondContact O-ND2 3.25Å; D345-N349 PolarHBondContact OD1-ND2 2.75Å; D345-N349 PolarHBondContact OD2-ND2 2.75Å; M346-N349 PolarHBondContact O-N 2.96Å
350F89.3Confident86.8Confident30 Ų3054.1 Ų54.113%0.13228%0.277CS..Hα-helixtrans-66.1-45.2171.1-67-32.3000112M346 A347 F348 L352 K353 H354 F360 E364 L368M346-F350 HydrophobicContact CG-CD2 4.24Å; M346-F350 HydrophobicContact CG-CE2 3.59Å; M346-F350 HydrophobicContact CG-CZ 3.82Å; M346-F350 WeakPolarHBondContact O-CD2 3.28Å; M346-F350 WeakPolarHBondContact O-CG 3.32Å; M346-F350 PolarHBondContact O-N 2.82Å; M346-F350 HydrophobicContact SD-CE2 4.2Å; M346-F350 HydrophobicContact SD-CZ 4.28Å; A347-F350 PolarHBondContact O-N 2.96Å; F348-F350 VanDerWaalsContact C-N 3.32Å; F348-F350 PolarHBondContact O-N 2.6Å; F350-L352 VanDerWaalsContact C-N 3.28Å; F350-L352 PolarHBondContact O-N 2.92Å; F350-K353 WeakPolarHBondContact O-CB 3.33Å; F350-K353 PolarHBondContact O-N 2.86Å; F350-K353 VanDerWaalsContact O-N 3.09Å; F350-H354 PolarHBondContact O-CD2 3.32Å; F350-F360 HydrophobicContact CB-CD1 4.23Å; F350-F360 HydrophobicContact CB-CE1 4.18Å; F350-E364 HydrophobicContact CB-CG 4.33Å; F350-E364 WeakPolarHBondContact CB-OE1 3.37Å; F350-E364 HydrophobicContact CD1-CG 4.06Å; F350-E364 HydrophobicContact CD2-CB 3.94Å; F350-E364 HydrophobicContact CD2-CG 3.83Å; F350-E364 HydrophobicContact CE1-CG 4.31Å; F350-E364 HydrophobicContact CE2-CB 4.18Å; F350-E364 HydrophobicContact CE2-CG 4.09Å; F350-E364 HydrophobicContact CG-CB 4.39Å; F350-E364 HydrophobicContact CG-CG 3.83Å; F350-E364 HydrophobicContact CZ-CG 4.33Å; F350-L368 HydrophobicContact CD2-CD1 4.42Å; F350-L368 HydrophobicContact CE2-CG 4.37Å
351R87.8Confident86.4Confident32 Ų3257 Ų5712%0.12130%0.295CS..Hα-helixtrans-56.3-39.5174.9161.873.1-176.593.7-10.2113.7A347 F348 K353 H354 F357 V392 K393 T395A347-R351 PolarHBondContact O-N 2.99Å; F348-R351 WeakPolarHBondContact O-CB 3.42Å; F348-R351 PolarHBondContact O-N 3.19Å; R351-K353 PolarHBondContact O-N 3.3Å; R351-H354 PolarHBondContact NH1-O 2.98Å; R351-H354 PolarHBondContact O-N 2.81Å; R351-H354 VanDerWaalsContact O-N 3.15Å; R351-F357 HydrophobicContact CB-CD2 4.33Å; R351-F357 HydrophobicContact CB-CE2 4.34Å; R351-F357 VanDerWaalsContact CD-CD1 3.45Å; R351-F357 VanDerWaalsContact CD-CD2 3.44Å; R351-F357 HydrophobicContact CG-CG 4.47Å; R351-V392 HydrophobicContact CB-CG1 3.09Å; R351-V392 HydrophobicContact CG-CG1 3.41Å; R351-V392 VanDerWaalsContact CG-CG1 3.41Å; R351-V392 WeakPolarHBondContact CG-O 3.35Å; R351-K393 PolarHBondContact NE-O 3.26Å; R351-K393 PolarHBondContact NH2-O 2.96Å; R351-T395 HydrophobicContact CG-CG2 4.22Å
352L87Confident86Confident93 Ų9365.6 Ų65.649%0.48734%0.335SS..Hα-helixtrans-65.3-21.6-179.5-72.6174000112.8F348 F350 H354 T395F348-L352 HydrophobicContact CD1-CD1 3.87Å; F348-L352 HydrophobicContact CD1-CG 4.28Å; F348-L352 HydrophobicContact CE1-CD1 3.7Å; F348-L352 HydrophobicContact CE1-CD2 4.22Å; F348-L352 HydrophobicContact CE1-CG 4.07Å; F348-L352 HydrophobicContact CZ-CD1 4.45Å; F348-L352 HydrophobicContact CZ-CD2 4.16Å; F348-L352 HydrophobicContact CZ-CG 4.39Å; F348-L352 WeakPolarHBondContact O-CG 3.29Å; F348-L352 PolarHBondContact O-N 3.48Å; F350-L352 VanDerWaalsContact C-N 3.28Å; F350-L352 PolarHBondContact O-N 2.92Å; L352-H354 VanDerWaalsContact C-N 3.29Å; L352-T395 HydrophobicContact CD2-CG2 4.41Å
353K85.9Confident85.7Confident152 Ų15273.2 Ų73.266%0.66136%0.36SS*.THydrogen-bonded Turntrans-75.7-17.7175.3-63176.2-176.71800113.2F350 R351F350-K353 WeakPolarHBondContact O-CB 3.33Å; F350-K353 PolarHBondContact O-N 2.86Å; F350-K353 VanDerWaalsContact O-N 3.09Å; R351-K353 PolarHBondContact O-N 3.3Å
354H80.1Confident85.5Confident57 Ų5773.8 Ų73.826%0.26436%0.363SS..  trans-102.5124.9-179-67.4-76.7000110.8F350 R351 L352 F357 E364F350-H354 PolarHBondContact O-CD2 3.32Å; R351-H354 PolarHBondContact NH1-O 2.98Å; R351-H354 PolarHBondContact O-N 2.81Å; R351-H354 VanDerWaalsContact O-N 3.15Å; L352-H354 VanDerWaalsContact C-N 3.29Å; H354-F357 HydrophobicContact CB-CD2 4.43Å; H354-E364 IonicContact NE2-OE1 3.72Å; H354-E364 IonicContact NE2-OE2 3.61Å
355N74.4Confident85Confident168 Ų16875.2 Ų75.290%0.89837%0.372SS*.SBendtrans-64.7-51174.2-83.4-11.8000111.3
356E75.5Confident84.7Confident180 Ų18077.4 Ų77.484%0.84139%0.39SS*.SBendtrans-111.8118.9172.3-70.8-173.4163.100109.7
357F77.4Confident84.6Confident20 Ų2078.5 Ų78.59%0.08840%0.396CS..  trans-107.7113.2-175.3-178.7-100.4000111.3R351 H354 F360R351-F357 HydrophobicContact CB-CD2 4.33Å; R351-F357 HydrophobicContact CB-CE2 4.34Å; R351-F357 VanDerWaalsContact CD-CD1 3.45Å; R351-F357 VanDerWaalsContact CD-CD2 3.44Å; R351-F357 HydrophobicContact CG-CG 4.47Å; H354-F357 HydrophobicContact CB-CD2 4.43Å; F357-F360 AromaticContact CE2-CD1 3.57Å; F357-F360 HydrophobicContact CE2-CD1 3.57Å; F357-F360 AromaticContact CE2-CE1 3.55Å; F357-F360 HydrophobicContact CE2-CE1 3.55Å; F357-F360 HydrophobicContact CE2-CG 4.16Å; F357-F360 HydrophobicContact CE2-CZ 4.15Å; F357-F360 AromaticContact CZ-CD1 3.77Å; F357-F360 HydrophobicContact CZ-CD1 3.77Å; F357-F360 HydrophobicContact CZ-CD2 4.2Å; F357-F360 AromaticContact CZ-CE1 3.49Å; F357-F360 HydrophobicContact CZ-CE1 3.49Å; F357-F360 VanDerWaalsContact CZ-CE1 3.49Å; F357-F360 AromaticContact CZ-CE2 3.96Å; F357-F360 HydrophobicContact CZ-CE2 3.96Å; F357-F360 HydrophobicContact CZ-CG 4.1Å; F357-F360 AromaticContact CZ-CZ 3.57Å; F357-F360 HydrophobicContact CZ-CZ 3.57Å
358T76.2Confident84.5Confident128 Ų12878.5 Ų78.579%0.78540%0.396SS*.SBendtrans-104.5-49.5171.948.70000110.7
359S81.1Confident84.2Confident63 Ų6379.6 Ų79.644%0.44141%0.405SS..SBendtrans-153.1160.4178.457.40000111
360F84.5Confident84.1Confident9 Ų983 Ų834%0.03942%0.418CS..  trans-66.4152.2169.6-62.2-65.2000111.1A347 F350 F357 E364 L368 L385 I388 Q389 V392A347-F360 HydrophobicContact CB-CE1 4.42Å; A347-F360 HydrophobicContact CB-CZ 3.96Å; A347-F360 WeakPolarHBondContact O-CE1 3.49Å; F350-F360 HydrophobicContact CB-CD1 4.23Å; F350-F360 HydrophobicContact CB-CE1 4.18Å; F357-F360 AromaticContact CE2-CD1 3.57Å; F357-F360 HydrophobicContact CE2-CD1 3.57Å; F357-F360 AromaticContact CE2-CE1 3.55Å; F357-F360 HydrophobicContact CE2-CE1 3.55Å; F357-F360 HydrophobicContact CE2-CG 4.16Å; F357-F360 HydrophobicContact CE2-CZ 4.15Å; F357-F360 AromaticContact CZ-CD1 3.77Å; F357-F360 HydrophobicContact CZ-CD1 3.77Å; F357-F360 HydrophobicContact CZ-CD2 4.2Å; F357-F360 AromaticContact CZ-CE1 3.49Å; F357-F360 HydrophobicContact CZ-CE1 3.49Å; F357-F360 VanDerWaalsContact CZ-CE1 3.49Å; F357-F360 AromaticContact CZ-CE2 3.96Å; F357-F360 HydrophobicContact CZ-CE2 3.96Å; F357-F360 HydrophobicContact CZ-CG 4.1Å; F357-F360 AromaticContact CZ-CZ 3.57Å; F357-F360 HydrophobicContact CZ-CZ 3.57Å; F360-E364 HydrophobicContact CB-CB 4.09Å; F360-L368 HydrophobicContact CD1-CD1 4.34Å; F360-L368 HydrophobicContact CD2-CD1 3.92Å; F360-L368 HydrophobicContact CE1-CD1 4.41Å; F360-L368 HydrophobicContact CE2-CD1 3.98Å; F360-L368 HydrophobicContact CG-CD1 4.13Å; F360-L368 HydrophobicContact CZ-CD1 4.25Å; F360-L385 HydrophobicContact CD2-CD2 4.29Å; F360-I388 HydrophobicContact CE2-CG2 4.11Å; F360-I388 HydrophobicContact CZ-CG2 4.19Å; F360-Q389 HydrophobicContact CD2-CG 3.43Å; F360-Q389 VanDerWaalsContact CD2-CG 3.43Å; F360-Q389 HydrophobicContact CE2-CB 4.26Å; F360-Q389 HydrophobicContact CE2-CG 3.36Å; F360-Q389 HydrophobicContact CZ-CG 4.47Å; F360-V392 HydrophobicContact CZ-CG1 4.47Å
361T83.9Confident84.1Confident60 Ų6085.5 Ų85.537%0.36843%0.429SS..  trans-67.9157.9171.7600000111.1R363 E364 C365T361-R363 PolarHBondContact O-N 2.83Å; T361-E364 PolarHBondContact N-OE2 3.09Å; T361-E364 PolarHBondContact O-N 2.91Å; T361-E364 VanDerWaalsContact O-N 3.1Å; T361-E364 WeakPolarHBondContact OG1-CG 3.3Å; T361-E364 PolarHBondContact OG1-N 2.75Å; T361-E364 PolarHBondContact OG1-OE2 3.22Å; T361-C365 WeakPolarHBondContact O-CB 3.21Å; T361-C365 PolarHBondContact O-N 3.13Å
362E83.2Confident84Confident180 Ų18084 Ų8484%0.84142%0.423SS*.Hα-helixtrans-55.2-36.5177.7-85.2-173.6155.400113C365 S366E362-C365 PolarHBondContact O-N 3.03Å; E362-S366 WeakPolarHBondContact O-CB 3.44Å; E362-S366 PolarHBondContact O-N 3.29Å
363R87.5Confident84Confident210 Ų21085 Ų8579%0.79242%0.424SS*.Hα-helixtrans-64.6-47.4176.8-68.9-175.3-176.2164.41.6111.6T361 S366 I367T361-R363 PolarHBondContact O-N 2.83Å; R363-S366 WeakPolarHBondContact O-CB 3.26Å; R363-S366 PolarHBondContact O-N 3.11Å; R363-I367 WeakPolarHBondContact O-CG1 3.31Å; R363-I367 PolarHBondContact O-N 3.3Å
364E87.6Confident84Confident18 Ų1884.8 Ų84.88%0.08443%0.428CS..Hα-helixtrans-65.8-41.7177.8-68.9165.4157.200111.2F350 H354 F360 T361 S366 I367 L368F350-E364 HydrophobicContact CB-CG 4.33Å; F350-E364 WeakPolarHBondContact CB-OE1 3.37Å; F350-E364 HydrophobicContact CD1-CG 4.06Å; F350-E364 HydrophobicContact CD2-CB 3.94Å; F350-E364 HydrophobicContact CD2-CG 3.83Å; F350-E364 HydrophobicContact CE1-CG 4.31Å; F350-E364 HydrophobicContact CE2-CB 4.18Å; F350-E364 HydrophobicContact CE2-CG 4.09Å; F350-E364 HydrophobicContact CG-CB 4.39Å; F350-E364 HydrophobicContact CG-CG 3.83Å; F350-E364 HydrophobicContact CZ-CG 4.33Å; H354-E364 IonicContact NE2-OE1 3.72Å; H354-E364 IonicContact NE2-OE2 3.61Å; F360-E364 HydrophobicContact CB-CB 4.09Å; T361-E364 PolarHBondContact N-OE2 3.09Å; T361-E364 PolarHBondContact O-N 2.91Å; T361-E364 VanDerWaalsContact O-N 3.1Å; T361-E364 WeakPolarHBondContact OG1-CG 3.3Å; T361-E364 PolarHBondContact OG1-N 2.75Å; T361-E364 PolarHBondContact OG1-OE2 3.22Å; E364-S366 VanDerWaalsContact C-N 3.31Å; E364-S366 PolarHBondContact O-N 2.82Å; E364-I367 PolarHBondContact O-N 3.33Å; E364-L368 WeakPolarHBondContact O-CB 3.35Å; E364-L368 VanDerWaalsContact O-CG 3.3Å; E364-L368 WeakPolarHBondContact O-CG 3.48Å; E364-L368 PolarHBondContact O-N 3.38Å
365C84.9Confident84Confident30 Ų3083.7 Ų83.720%0.20343%0.426CS..Hα-helixtrans-57.7-42.3172.3-88.20000111.7T361 E362 S369T361-C365 WeakPolarHBondContact O-CB 3.21Å; T361-C365 PolarHBondContact O-N 3.13Å; E362-C365 PolarHBondContact O-N 3.03Å; C365-S369 WeakPolarHBondContact O-CB 3.48Å; C365-S369 PolarHBondContact O-N 3.13Å; C365-S369 PolarHBondContact O-OG 2.77Å
366S86.9Confident84.2Confident75 Ų7576.4 Ų76.452%0.52439%0.388SS..Hα-helixtrans-62-47.9176.5-179.10000111.7E362 R363 E364 S369 Q370E362-S366 WeakPolarHBondContact O-CB 3.44Å; E362-S366 PolarHBondContact O-N 3.29Å; R363-S366 WeakPolarHBondContact O-CB 3.26Å; R363-S366 PolarHBondContact O-N 3.11Å; E364-S366 VanDerWaalsContact C-N 3.31Å; E364-S366 PolarHBondContact O-N 2.82Å; S366-S369 PolarHBondContact O-N 3.07Å; S366-Q370 WeakPolarHBondContact O-CB 3.45Å; S366-Q370 PolarHBondContact O-N 2.82Å
367I90.5Very high84.3Confident72 Ų7269.4 Ų69.437%0.36936%0.364SS..Hα-helixtrans-61.4-48.9179-65.1164.6000110.7M346 R363 E364 S369 Q370 K371M346-I367 HydrophobicContact SD-CG2 4Å; R363-I367 WeakPolarHBondContact O-CG1 3.31Å; R363-I367 PolarHBondContact O-N 3.3Å; E364-I367 PolarHBondContact O-N 3.33Å; I367-S369 PolarHBondContact O-N 2.9Å; I367-Q370 PolarHBondContact O-N 2.78Å; I367-K371 PolarHBondContact O-N 3.49Å
368L87.9Confident84.3Confident0 Ų076.7 Ų76.70%040%0.396CS..Hα-helixtrans-62.6-43.4178.1-71.5172.6000111I343 M346 A347 F350 F360 E364 Q370 K371 L372 L385I343-L368 HydrophobicContact CG2-CD2 4.07Å; M346-L368 HydrophobicContact CG-CD2 4.5Å; A347-L368 HydrophobicContact CB-CD1 4.3Å; A347-L368 HydrophobicContact CB-CD2 4.07Å; F350-L368 HydrophobicContact CD2-CD1 4.42Å; F350-L368 HydrophobicContact CE2-CG 4.37Å; F360-L368 HydrophobicContact CD1-CD1 4.34Å; F360-L368 HydrophobicContact CD2-CD1 3.92Å; F360-L368 HydrophobicContact CE1-CD1 4.41Å; F360-L368 HydrophobicContact CE2-CD1 3.98Å; F360-L368 HydrophobicContact CG-CD1 4.13Å; F360-L368 HydrophobicContact CZ-CD1 4.25Å; E364-L368 WeakPolarHBondContact O-CB 3.35Å; E364-L368 VanDerWaalsContact O-CG 3.3Å; E364-L368 WeakPolarHBondContact O-CG 3.48Å; E364-L368 PolarHBondContact O-N 3.38Å; L368-Q370 VanDerWaalsContact C-N 3.31Å; L368-Q370 PolarHBondContact O-N 2.85Å; L368-K371 PolarHBondContact O-N 3.2Å; L368-L372 HydrophobicContact CB-CD1 4.48Å; L368-L372 VanDerWaalsContact O-CB 3.22Å; L368-L372 WeakPolarHBondContact O-CB 3.49Å; L368-L372 WeakPolarHBondContact O-CD1 3.4Å; L368-L372 WeakPolarHBondContact O-CG 3.45Å; L368-L372 PolarHBondContact O-N 2.6Å; L368-L385 HydrophobicContact CB-CD2 4.21Å; L368-L385 HydrophobicContact CD1-CD2 4.2Å
369S86.9Confident84.4Confident30 Ų3078.6 Ų78.621%0.2140%0.401CS..Hα-helixtrans-59.6-42.1177.3-62.50000111.9C365 S366 I367 L372 K373 L385C365-S369 WeakPolarHBondContact O-CB 3.48Å; C365-S369 PolarHBondContact O-N 3.13Å; C365-S369 PolarHBondContact O-OG 2.77Å; S366-S369 PolarHBondContact O-N 3.07Å; I367-S369 PolarHBondContact O-N 2.9Å; S369-L372 PolarHBondContact O-N 3.47Å; S369-K373 WeakPolarHBondContact O-CG 3.37Å; S369-K373 PolarHBondContact O-N 3.02Å; S369-L385 VanDerWaalsContact OG-CD1 3.23Å; S369-L385 WeakPolarHBondContact OG-CD1 3.46Å
370Q88.6Confident84.4Confident136 Ų13681.1 Ų81.164%0.63640%0.404SS*.Hα-helixtrans-63.2-45.2179.6-169.8178.24.600111.3S366 I367 L368S366-Q370 WeakPolarHBondContact O-CB 3.45Å; S366-Q370 PolarHBondContact O-N 2.82Å; I367-Q370 PolarHBondContact O-N 2.78Å; L368-Q370 VanDerWaalsContact C-N 3.31Å; L368-Q370 PolarHBondContact O-N 2.85Å
371K87.6Confident84.4Confident82 Ų8281.2 Ų81.236%0.35741%0.406SS..Hα-helixtrans-69.5-38.9175.6-70.4-165.1173.3-163.40112.6I343 M346 I367 L368 K373 I374I343-K371 HydrophobicContact CD1-CB 3.94Å; I343-K371 HydrophobicContact CG1-CB 4.02Å; I343-K371 HydrophobicContact CG1-CD 4.3Å; M346-K371 VanDerWaalsContact CE-NZ 3.33Å; M346-K371 HydrophobicContact SD-CD 4.18Å; I367-K371 PolarHBondContact O-N 3.49Å; L368-K371 PolarHBondContact O-N 3.2Å; K371-K373 VanDerWaalsContact C-N 3.3Å; K371-K373 PolarHBondContact O-N 3.32Å; K371-I374 WeakPolarHBondContact O-CB 3.47Å; K371-I374 PolarHBondContact O-N 2.87Å; K371-I374 VanDerWaalsContact O-N 3.16Å
372L87.4Confident84.5Confident0 Ų085.9 Ų85.90%042%0.423CS..Hα-helixtrans-65.4-29.8178.7-79.1168000113.2F318 I343 L368 S369 I374 V375 S376 V381 A384 L385 I388F318-L372 HydrophobicContact CE2-CD2 3.68Å; F318-L372 HydrophobicContact CZ-CD2 3.77Å; I343-L372 HydrophobicContact CD1-CD2 4.38Å; I343-L372 HydrophobicContact CG2-CD2 4.22Å; I343-L372 HydrophobicContact CG2-CG 4.36Å; L368-L372 HydrophobicContact CB-CD1 4.48Å; L368-L372 VanDerWaalsContact O-CB 3.22Å; L368-L372 WeakPolarHBondContact O-CB 3.49Å; L368-L372 WeakPolarHBondContact O-CD1 3.4Å; L368-L372 WeakPolarHBondContact O-CG 3.45Å; L368-L372 PolarHBondContact O-N 2.6Å; S369-L372 PolarHBondContact O-N 3.47Å; L372-I374 PolarHBondContact O-N 2.88Å; L372-V375 PolarHBondContact O-N 3.4Å; L372-S376 WeakPolarHBondContact O-CB 3.36Å; L372-S376 PolarHBondContact O-N 3.07Å; L372-V381 HydrophobicContact CB-CG1 4Å; L372-V381 HydrophobicContact CD1-CG1 4.46Å; L372-A384 HydrophobicContact CD1-CB 4.23Å; L372-A384 HydrophobicContact CD2-CB 3.85Å; L372-L385 HydrophobicContact CD1-CD1 4.47Å; L372-L385 HydrophobicContact CD1-CG 3.8Å; L372-I388 HydrophobicContact CD1-CD1 3.97Å; L372-I388 HydrophobicContact CD2-CD1 3.84Å; L372-I388 HydrophobicContact CG-CD1 4.35Å
373K86.4Confident84.7Confident115 Ų11579.7 Ų79.750%0.540%0.403SS..Hα-helixtrans-56.9-36.4173.5-79.9172.2-175.91760111.9S369 K371 G377 V381S369-K373 WeakPolarHBondContact O-CG 3.37Å; S369-K373 PolarHBondContact O-N 3.02Å; K371-K373 VanDerWaalsContact C-N 3.3Å; K371-K373 PolarHBondContact O-N 3.32Å; K373-G377 WeakPolarHBondContact O-CA 3.42Å; K373-G377 PolarHBondContact O-N 3.04Å; K373-V381 HydrophobicContact CB-CG2 4.45Å; K373-V381 HydrophobicContact CG-CG2 3.7Å
374I84.6Confident84.7Confident147 Ų14769.7 Ų69.775%0.75437%0.365SS*.Hα-helixtrans-71-41179.9-57.2171000110.4K371 L372K371-I374 WeakPolarHBondContact O-CB 3.47Å; K371-I374 PolarHBondContact O-N 2.87Å; K371-I374 VanDerWaalsContact O-N 3.16Å; L372-I374 PolarHBondContact O-N 2.88Å
375V81.6Confident84.8Confident34 Ų3469.7 Ų69.721%0.20637%0.365CS..Hα-helixtrans-88.9-41.5-172.2-178.60000113.3F318 R339 I343 L372F318-V375 HydrophobicContact CE2-CG1 4.35Å; R339-V375 HydrophobicContact CB-CG2 4.21Å; I343-V375 HydrophobicContact CD1-CB 4.35Å; I343-V375 HydrophobicContact CD1-CG2 3.67Å; L372-V375 PolarHBondContact O-N 3.4Å
376S78.2Confident85Confident15 Ų1575.2 Ų75.211%0.10539%0.386CS..Hα-helixtrans-101.2-13.7-172.4-610000114.3H315 L372H315-S376 VanDerWaalsContact ND1-CB 3.31Å; H315-S376 WeakPolarHBondContact ND1-CB 3.26Å; H315-S376 PolarHBondContact ND1-OG 3.15Å; L372-S376 WeakPolarHBondContact O-CB 3.36Å; L372-S376 PolarHBondContact O-N 3.07Å
377G78.3Confident85.1Confident33 Ų3372.6 Ų72.634%0.3437%0.366SS..  trans77.2155.1-168.600000112.7K373 N379 K380 V381K373-G377 WeakPolarHBondContact O-CA 3.42Å; K373-G377 PolarHBondContact O-N 3.04Å; G377-N379 VanDerWaalsContact C-N 3.27Å; G377-N379 PolarHBondContact O-N 3.24Å; G377-N379 VanDerWaalsContact O-N 3.15Å; G377-K380 PolarHBondContact O-N 2.83Å; G377-V381 WeakPolarHBondContact O-CG2 3.42Å
378K76Confident85.1Confident174 Ų17469.1 Ų69.176%0.75735%0.348SS*.G310 helixtrans-55.1-37.2-170.6-70.9-179179.8175.70113.8K380K378-K380 VanDerWaalsContact C-N 3.34Å; K378-K380 PolarHBondContact O-N 2.88Å
379N78.3Confident85.2Confident167 Ų16771.6 Ų71.689%0.89336%0.36SS*.G310 helixtrans-78.6-14.5-172.3-60.61.9000113.8G377G377-N379 VanDerWaalsContact C-N 3.27Å; G377-N379 PolarHBondContact O-N 3.24Å; G377-N379 VanDerWaalsContact O-N 3.15Å
380K81.2Confident85.3Confident116 Ų11674.1 Ų74.150%0.50437%0.37SS..G310 helixtrans-1114.6-174.2-64.4-176.5178.8179.60114G377 K378 A383 A384G377-K380 PolarHBondContact O-N 2.83Å; K378-K380 VanDerWaalsContact C-N 3.34Å; K378-K380 PolarHBondContact O-N 2.88Å; K380-A383 PolarHBondContact O-N 2.97Å; K380-A384 WeakPolarHBondContact O-CB 3.42Å; K380-A384 PolarHBondContact O-N 3.44Å
381V85.6Confident85.3Confident12 Ų1267.8 Ų67.87%0.07334%0.341CS..Hα-helixtrans-63.2-47.1-173.1178.90000111.9L372 K373 G377 A383 A384 L385L372-V381 HydrophobicContact CB-CG1 4Å; L372-V381 HydrophobicContact CD1-CG1 4.46Å; K373-V381 HydrophobicContact CB-CG2 4.45Å; K373-V381 HydrophobicContact CG-CG2 3.7Å; G377-V381 WeakPolarHBondContact O-CG2 3.42Å; V381-A383 PolarHBondContact O-N 3.43Å; V381-A384 PolarHBondContact O-N 2.88Å; V381-L385 HydrophobicContact CG1-CD1 4.39Å; V381-L385 PolarHBondContact O-N 2.87Å
382E85.9Confident85.5Confident157 Ų15763.9 Ų63.973%0.73432%0.324SS*.Hα-helixtrans-63.1-42179.7-72.2-174.5172.700112.4A384 L385 K386E382-A384 VanDerWaalsContact C-N 3.34Å; E382-L385 PolarHBondContact O-N 3.46Å; E382-K386 PolarHBondContact O-N 3.25Å
383A87.2Confident85.5Confident51 Ų5170.4 Ų70.442%0.42135%0.352SS..Hα-helixtrans-62.2-43.8175.800000111K380 V381 K386 M387K380-A383 PolarHBondContact O-N 2.97Å; V381-A383 PolarHBondContact O-N 3.43Å; A383-K386 PolarHBondContact O-N 3.39Å; A383-M387 HydrophobicContact CB-CE 4.27Å; A383-M387 WeakPolarHBondContact O-CE 3.32Å; A383-M387 VanDerWaalsContact O-CG 3.31Å; A383-M387 WeakPolarHBondContact O-CG 3.25Å; A383-M387 PolarHBondContact O-N 2.89Å
384A87.7Confident85.5Confident0 Ų067.5 Ų67.50%034%0.342CS..Hα-helixtrans-62.4-42.3175.900000112.2F318 L372 K380 V381 E382 K386 M387 I388F318-A384 HydrophobicContact CD2-CB 4.43Å; L372-A384 HydrophobicContact CD1-CB 4.23Å; L372-A384 HydrophobicContact CD2-CB 3.85Å; K380-A384 WeakPolarHBondContact O-CB 3.42Å; K380-A384 PolarHBondContact O-N 3.44Å; V381-A384 PolarHBondContact O-N 2.88Å; E382-A384 VanDerWaalsContact C-N 3.34Å; A384-K386 PolarHBondContact O-N 2.87Å; A384-M387 WeakPolarHBondContact O-CB 3.36Å; A384-M387 PolarHBondContact O-N 3.44Å; A384-M387 VanDerWaalsContact O-N 3.15Å; A384-I388 WeakPolarHBondContact O-CG1 3.42Å; A384-I388 PolarHBondContact O-N 3Å
385L88.4Confident85.6Confident17 Ų1762.7 Ų62.79%0.08932%0.319CS..Hα-helixtrans-59.9-46.3176.8-106162.5000112.2F360 L368 S369 L372 V381 E382 M387 I388 Q389F360-L385 HydrophobicContact CD2-CD2 4.29Å; L368-L385 HydrophobicContact CB-CD2 4.21Å; L368-L385 HydrophobicContact CD1-CD2 4.2Å; S369-L385 VanDerWaalsContact OG-CD1 3.23Å; S369-L385 WeakPolarHBondContact OG-CD1 3.46Å; L372-L385 HydrophobicContact CD1-CD1 4.47Å; L372-L385 HydrophobicContact CD1-CG 3.8Å; V381-L385 HydrophobicContact CG1-CD1 4.39Å; V381-L385 PolarHBondContact O-N 2.87Å; E382-L385 PolarHBondContact O-N 3.46Å; L385-M387 VanDerWaalsContact C-N 3.28Å; L385-M387 PolarHBondContact O-N 3.45Å; L385-I388 PolarHBondContact O-N 3.08Å; L385-Q389 WeakPolarHBondContact O-CG 3.48Å; L385-Q389 PolarHBondContact O-N 2.88Å
386K89.4Confident85.9Confident147 Ų14766.6 Ų66.664%0.63933%0.334SS*.Hα-helixtrans-61.2-37.8174.9-74.4-178.7179.4175.50111.9E382 A383 A384 L390E382-K386 PolarHBondContact O-N 3.25Å; A383-K386 PolarHBondContact O-N 3.39Å; A384-K386 PolarHBondContact O-N 2.87Å; K386-L390 PolarHBondContact O-N 3.38Å
387M89.4Confident86.5Confident19 Ų1966.3 Ų66.39%0.09433%0.331CS..Hα-helixtrans-66.2-45176-69.3-170.6-96.300111.9I319 A383 A384 L385 L390 I391I319-M387 HydrophobicContact CG1-CE 4.3Å; I319-M387 HydrophobicContact CG1-SD 3.98Å; A383-M387 HydrophobicContact CB-CE 4.27Å; A383-M387 WeakPolarHBondContact O-CE 3.32Å; A383-M387 VanDerWaalsContact O-CG 3.31Å; A383-M387 WeakPolarHBondContact O-CG 3.25Å; A383-M387 PolarHBondContact O-N 2.89Å; A384-M387 WeakPolarHBondContact O-CB 3.36Å; A384-M387 PolarHBondContact O-N 3.44Å; A384-M387 VanDerWaalsContact O-N 3.15Å; L385-M387 VanDerWaalsContact C-N 3.28Å; L385-M387 PolarHBondContact O-N 3.45Å; M387-L390 PolarHBondContact O-N 3Å; M387-I391 VanDerWaalsContact O-CG1 3.27Å; M387-I391 WeakPolarHBondContact O-CG1 3.03Å; M387-I391 PolarHBondContact O-N 2.88Å
388I91.2Very high87.1Confident0 Ų064.8 Ų64.80%032%0.315CS..Hα-helixtrans-63.5-42.7178.1-68.8167.4000111.3F318 I343 L344 A347 F360 L372 A384 L385 L390 I391 V392F318-I388 HydrophobicContact CD1-CD1 4.16Å; F318-I388 HydrophobicContact CD1-CG1 3.95Å; F318-I388 HydrophobicContact CE1-CD1 3.85Å; F318-I388 HydrophobicContact CE1-CG1 4.1Å; F318-I388 HydrophobicContact CZ-CD1 4.15Å; I343-I388 HydrophobicContact CG2-CD1 3.92Å; L344-I388 HydrophobicContact CD2-CG1 4.04Å; L344-I388 HydrophobicContact CD2-CG2 4.46Å; A347-I388 HydrophobicContact CB-CG2 3.4Å; A347-I388 VanDerWaalsContact CB-CG2 3.4Å; F360-I388 HydrophobicContact CE2-CG2 4.11Å; F360-I388 HydrophobicContact CZ-CG2 4.19Å; L372-I388 HydrophobicContact CD1-CD1 3.97Å; L372-I388 HydrophobicContact CD2-CD1 3.84Å; L372-I388 HydrophobicContact CG-CD1 4.35Å; A384-I388 WeakPolarHBondContact O-CG1 3.42Å; A384-I388 PolarHBondContact O-N 3Å; L385-I388 PolarHBondContact O-N 3.08Å; I388-L390 PolarHBondContact O-N 2.82Å; I388-I391 PolarHBondContact O-N 3.46Å; I388-V392 HydrophobicContact CG2-CG2 4.14Å; I388-V392 WeakPolarHBondContact O-CB 3.33Å; I388-V392 WeakPolarHBondContact O-CG2 3.42Å; I388-V392 PolarHBondContact O-N 3.1Å
389Q89.6Confident88Confident52 Ų5257 Ų5724%0.24328%0.282CS..Hα-helixtrans-56.2-39.8174.5-77.3176.4-11.300111.9F360 L385 K393F360-Q389 HydrophobicContact CD2-CG 3.43Å; F360-Q389 VanDerWaalsContact CD2-CG 3.43Å; F360-Q389 HydrophobicContact CE2-CB 4.26Å; F360-Q389 HydrophobicContact CE2-CG 3.36Å; F360-Q389 HydrophobicContact CZ-CG 4.47Å; L385-Q389 WeakPolarHBondContact O-CG 3.48Å; L385-Q389 PolarHBondContact O-N 2.88Å; Q389-K393 PolarHBondContact O-N 2.9Å
390L88.8Confident88.7Confident82 Ų8251.4 Ų51.443%0.42925%0.254SS..Hα-helixtrans-74.2-39.3-179.3-158.1137.8000112.3R322 K326 K386 M387 I388R322-L390 HydrophobicContact CG-CD2 4.13Å; K326-L390 HydrophobicContact CG-CD2 4.42Å; K386-L390 PolarHBondContact O-N 3.38Å; M387-L390 PolarHBondContact O-N 3Å; I388-L390 PolarHBondContact O-N 2.82Å
391I90Very high89.2Confident3 Ų346.4 Ų46.42%0.01523%0.232CC..Hα-helixtrans-58.5-53.3174.6-74.1164.8000109.9A321 R322 I325 L344 M387 I388 K393 I398A321-I391 HydrophobicContact CB-CD1 3.85Å; A321-I391 HydrophobicContact CB-CG1 4.4Å; R322-I391 HydrophobicContact CB-CD1 4.29Å; R322-I391 HydrophobicContact CB-CG1 4.15Å; I325-I391 HydrophobicContact CD1-CB 3.91Å; I325-I391 HydrophobicContact CD1-CG1 4.09Å; I325-I391 HydrophobicContact CD1-CG2 3.52Å; L344-I391 HydrophobicContact CD2-CD1 4.21Å; L344-I391 HydrophobicContact CD2-CG2 4.05Å; M387-I391 VanDerWaalsContact O-CG1 3.27Å; M387-I391 WeakPolarHBondContact O-CG1 3.03Å; M387-I391 PolarHBondContact O-N 2.88Å; I388-I391 PolarHBondContact O-N 3.46Å; I391-K393 PolarHBondContact O-N 2.96Å; I391-I398 HydrophobicContact CG2-CD1 3.76Å; I391-I398 WeakPolarHBondContact O-CD1 3.37Å
392V90.4Very high89.5Confident0 Ų047.4 Ų47.40%024%0.237CC..Hα-helixtrans-77.7-7.4-169.1172.40000113.2A347 F348 R351 F360 I388 D394 I398A347-V392 HydrophobicContact CB-CG2 4.16Å; F348-V392 HydrophobicContact CD2-CG1 4.07Å; R351-V392 HydrophobicContact CB-CG1 3.09Å; R351-V392 HydrophobicContact CG-CG1 3.41Å; R351-V392 VanDerWaalsContact CG-CG1 3.41Å; R351-V392 WeakPolarHBondContact CG-O 3.35Å; F360-V392 HydrophobicContact CZ-CG1 4.47Å; I388-V392 HydrophobicContact CG2-CG2 4.14Å; I388-V392 WeakPolarHBondContact O-CB 3.33Å; I388-V392 WeakPolarHBondContact O-CG2 3.42Å; I388-V392 PolarHBondContact O-N 3.1Å; V392-D394 PolarHBondContact O-N 3.14Å; V392-I398 HydrophobicContact CG2-CD1 4.39Å
393K87.1Confident89.7Confident138 Ų13840 Ų4060%0.620%0.202SC*.THydrogen-bonded Turntrans-58.2-46.8-175.8-169.6176.3-178.7179.10113.2R351 Q389 I391R351-K393 PolarHBondContact NE-O 3.26Å; R351-K393 PolarHBondContact NH2-O 2.96Å; Q389-K393 PolarHBondContact O-N 2.9Å; I391-K393 PolarHBondContact O-N 2.96Å
394D86.3Confident89.7Confident54 Ų5441.8 Ų41.829%0.28921%0.205SC..  trans-96.7109.2-178.3-165.8-15.9000111V392 K396 L397V392-D394 PolarHBondContact O-N 3.14Å; D394-K396 VanDerWaalsContact C-N 3.26Å; D394-K396 PolarHBondContact O-N 3.16Å; D394-K396 PolarHBondContact OD1-N 3.21Å; D394-K396 VanDerWaalsContact OD1-N 3.12Å; D394-L397 HydrophobicContact CB-CD1 4.15Å
395T87.3Confident89.6Confident45 Ų4549.9 Ų49.928%0.27624%0.24SC..THydrogen-bonded Turntrans-74.7-15.2-175.757.80000113.5F348 R351 L352 K419F348-T395 HydrophobicContact CE2-CG2 4.41Å; R351-T395 HydrophobicContact CG-CG2 4.22Å; L352-T395 HydrophobicContact CD2-CG2 4.41Å; T395-K419 VanDerWaalsContact O-CE 3.31Å; T395-K419 WeakPolarHBondContact O-CE 3.43Å; T395-K419 PolarHBondContact O-NZ 3.35Å
396K87.2Confident89.5Confident116 Ų11651.1 Ų51.150%0.50425%0.25SS..THydrogen-bonded Turntrans-78.3-29.4-179.9-64.4-176-178.7179.90112.6D394D394-K396 VanDerWaalsContact C-N 3.26Å; D394-K396 PolarHBondContact O-N 3.16Å; D394-K396 PolarHBondContact OD1-N 3.21Å; D394-K396 VanDerWaalsContact OD1-N 3.12Å
397L90.8Very high89.3Confident10 Ų1048 Ų485%0.05224%0.241CC..THydrogen-bonded Turntrans-83.5-18.6-177.1-73167.3000113.2I325 R328 P330 V331 D394 T420I325-L397 HydrophobicContact CG2-CD1 4.2Å; R328-L397 HydrophobicContact CB-CD2 4.48Å; R328-L397 WeakPolarHBondContact O-CD2 3.3Å; P330-L397 CarbonylContact C-O 3.42Å; P330-L397 VanDerWaalsContact CA-O 3.23Å; P330-L397 WeakPolarHBondContact CA-O 3.4Å; P330-L397 HydrophobicContact CB-CD2 4.49Å; V331-L397 PolarHBondContact N-O 2.97Å; D394-L397 HydrophobicContact CB-CD1 4.15Å; L397-T420 HydrophobicContact CD2-CG2 3.44Å; L397-T420 VanDerWaalsContact CD2-CG2 3.44Å; L397-T420 HydrophobicContact CG-CG2 4.26Å
398I92.7Very high89.2Confident0 Ų051.3 Ų51.30%026%0.259CS..EExtended strand (participates in β ladder)trans-107.2133-176.2-64.5171.2000110.7I325 V331 I333 F348 I391 V392 T400 K419I325-I398 HydrophobicContact CD1-CD1 4.14Å; I325-I398 HydrophobicContact CD1-CG1 4.19Å; V331-I398 WeakPolarHBondContact O-CA 3.44Å; I333-I398 HydrophobicContact CD1-CG2 3.6Å; I333-I398 HydrophobicContact CG1-CG2 4.48Å; F348-I398 HydrophobicContact CD1-CG2 4.2Å; F348-I398 HydrophobicContact CD2-CB 3.94Å; F348-I398 HydrophobicContact CD2-CD1 4.02Å; F348-I398 HydrophobicContact CD2-CG2 3.61Å; F348-I398 HydrophobicContact CE1-CG2 4.21Å; F348-I398 HydrophobicContact CE2-CB 3.58Å; F348-I398 HydrophobicContact CE2-CD1 4.24Å; F348-I398 HydrophobicContact CE2-CG1 4.49Å; F348-I398 HydrophobicContact CE2-CG2 3.67Å; F348-I398 HydrophobicContact CG-CG2 3.9Å; F348-I398 HydrophobicContact CZ-CB 4.02Å; F348-I398 HydrophobicContact CZ-CG2 3.96Å; I391-I398 HydrophobicContact CG2-CD1 3.76Å; I391-I398 WeakPolarHBondContact O-CD1 3.37Å; V392-I398 HydrophobicContact CG2-CD1 4.39Å; I398-T400 HydrophobicContact CG2-CG2 4.39Å; I398-K419 PolarHBondContact O-NZ 2.88Å
399T93Very high89.2Confident11 Ų1151.3 Ų51.37%0.06726%0.259CS..EExtended strand (participates in β ladder)trans-127.4133.2170.7-54.30000108.5V331 V332 I333 F415 A416V331-T399 PolarHBondContact O-N 3.41Å; V332-T399 CarbonylContact C-O 3.31Å; V332-T399 VanDerWaalsContact CA-O 3.3Å; V332-T399 WeakPolarHBondContact CA-O 3.36Å; I333-T399 PolarHBondContact N-O 3.48Å; T399-F415 HydrophobicContact CG2-CD1 4.19Å; T399-A416 WeakPolarHBondContact OG1-CA 3.36Å; T399-A416 WeakPolarHBondContact OG1-CB 3.47Å
400T93Very high89.2Confident49 Ų4949 Ų4930%0.30125%0.248SC..EExtended strand (participates in β ladder)trans-106.6138.9177.954.50000109.5I333 D345 F348 I398I333-T400 HydrophobicContact CB-CG2 4.35Å; I333-T400 HydrophobicContact CD1-CG2 4.23Å; D345-T400 HydrophobicContact CB-CG2 4.44Å; D345-T400 WeakPolarHBondContact OD1-CB 3.44Å; D345-T400 WeakPolarHBondContact OD1-CG2 3.44Å; F348-T400 HydrophobicContact CB-CG2 4.42Å; F348-T400 HydrophobicContact CD1-CG2 3.63Å; F348-T400 HydrophobicContact CE1-CG2 4.25Å; F348-T400 HydrophobicContact CG-CG2 4.26Å; I398-T400 HydrophobicContact CG2-CG2 4.39Å
401F93.7Very high89.2Confident11 Ų1147 Ų475%0.04824%0.237CC..EExtended strand (participates in β ladder)trans-132.1118.8-179.9176-100.3000109.7V165 V332 I333 C334 S335 M403 S406 L409 A412V165-F401 HydrophobicContact CG1-CE1 4.06Å; V165-F401 HydrophobicContact CG1-CZ 4.13Å; V332-F401 HydrophobicContact CG1-CB 4.41Å; I333-F401 PolarHBondContact O-N 2.99Å; C334-F401 CarbonylContact C-O 3.58Å; C334-F401 WeakPolarHBondContact CA-O 3.3Å; S335-F401 PolarHBondContact N-O 3.16Å; S335-F401 PolarHBondContact OG-O 3.27Å; S335-F401 VanDerWaalsContact OG-O 3.1Å; F401-M403 HydrophobicContact CD1-CG 3.85Å; F401-M403 HydrophobicContact CE1-CB 4.47Å; F401-M403 HydrophobicContact CE1-CG 3.69Å; F401-S406 WeakPolarHBondContact CE2-OG 3.33Å; F401-S406 WeakPolarHBondContact CZ-O 3.34Å; F401-L409 HydrophobicContact CD1-CB 4.28Å; F401-L409 HydrophobicContact CD1-CD1 3.59Å; F401-L409 HydrophobicContact CE1-CB 3.65Å; F401-L409 HydrophobicContact CE1-CD1 3.86Å; F401-L409 HydrophobicContact CE1-CG 4.3Å; F401-L409 HydrophobicContact CE2-CB 4.36Å; F401-L409 HydrophobicContact CG-CD1 4.05Å; F401-L409 HydrophobicContact CZ-CB 3.69Å; F401-A412 HydrophobicContact CB-CB 3.99Å; F401-A412 HydrophobicContact CD2-CB 3.58Å; F401-A412 HydrophobicContact CE2-CB 4.33Å; F401-A412 HydrophobicContact CG-CB 4Å
402D91.9Very high89.2Confident34 Ų3447.4 Ų47.418%0.18224%0.241CC..EExtended strand (participates in β ladder)trans-91.9105.3-179.4-170.5-9.9000110.8S335 N404 K405 S406S335-D402 VanDerWaalsContact OG-CA 3.23Å; S335-D402 WeakPolarHBondContact OG-CA 3.07Å; S335-D402 PolarHBondContact OG-N 3.27Å; D402-N404 PolarHBondContact O-N 2.86Å; D402-N404 WeakPolarHBondContact OD1-CB 3.4Å; D402-N404 PolarHBondContact OD1-N 2.98Å; D402-N404 PolarHBondContact OD1-ND2 2.9Å; D402-K405 HydrophobicContact CB-CB 4.29Å; D402-K405 HydrophobicContact CB-CD 4.25Å; D402-K405 HydrophobicContact CB-CG 4.31Å; D402-K405 PolarHBondContact O-N 3.25Å; D402-K405 WeakPolarHBondContact OD2-CD 3.49Å; D402-K405 VanDerWaalsContact OD2-CE 3.23Å; D402-K405 WeakPolarHBondContact OD2-CE 3.42Å; D402-K405 WeakPolarHBondContact OD2-CG 3.5Å; D402-K405 IonicContact OD2-NZ 2.57Å; D402-K405 PolarHBondContact OD2-NZ 3.26Å; D402-S406 PolarHBondContact O-N 3.14Å
403M88.4Confident89.2Confident0 Ų047.4 Ų47.40%024%0.241CC..THydrogen-bonded Turntrans-65.6-5.6-179.8-73.4-179.867.900114L158 K162 F166 C334 S335 T337 F401L158-M403 HydrophobicContact CD1-CE 4.33Å; L158-M403 HydrophobicContact CD2-CE 4.18Å; K162-M403 HydrophobicContact CB-CE 3.67Å; K162-M403 HydrophobicContact CG-CB 4.34Å; K162-M403 HydrophobicContact CG-CE 4.21Å; K162-M403 WeakPolarHBondContact O-CE 3.27Å; F166-M403 HydrophobicContact CB-CE 3.9Å; C334-M403 HydrophobicContact CB-CG 4.27Å; C334-M403 HydrophobicContact CB-SD 3.78Å; S335-M403 PolarHBondContact O-N 3.31Å; S335-M403 VanDerWaalsContact O-N 3.08Å; T337-M403 HydrophobicContact CG2-CE 4.31Å; T337-M403 HydrophobicContact CG2-SD 3.25Å; T337-M403 WeakPolarHBondContact CG2-SD 3.34Å; F401-M403 HydrophobicContact CD1-CG 3.85Å; F401-M403 HydrophobicContact CE1-CB 4.47Å; F401-M403 HydrophobicContact CE1-CG 3.69Å
404N87.3Confident89.3Confident89 Ų8940.8 Ų40.848%0.47621%0.213SC..THydrogen-bonded Turntrans-95.2-11.9173.7-48.9-75.8000113.3K162 G336 D402K162-N404 WeakPolarHBondContact CE-OD1 3.47Å; K162-N404 PolarHBondContact NZ-OD1 3.41Å; G336-N404 WeakPolarHBondContact CA-ND2 3.44Å; D402-N404 PolarHBondContact O-N 2.86Å; D402-N404 WeakPolarHBondContact OD1-CB 3.4Å; D402-N404 PolarHBondContact OD1-N 2.98Å; D402-N404 PolarHBondContact OD1-ND2 2.9Å
405K87.1Confident89.3Confident171 Ų17140.2 Ų40.274%0.74321%0.208SC*.THydrogen-bonded Turntrans-113.1-28.2-171.2-70-176.1-176.9124.70114.2D402D402-K405 HydrophobicContact CB-CB 4.29Å; D402-K405 HydrophobicContact CB-CD 4.25Å; D402-K405 HydrophobicContact CB-CG 4.31Å; D402-K405 PolarHBondContact O-N 3.25Å; D402-K405 WeakPolarHBondContact OD2-CD 3.49Å; D402-K405 VanDerWaalsContact OD2-CE 3.23Å; D402-K405 WeakPolarHBondContact OD2-CE 3.42Å; D402-K405 WeakPolarHBondContact OD2-CG 3.5Å; D402-K405 IonicContact OD2-NZ 2.57Å; D402-K405 PolarHBondContact OD2-NZ 3.26Å
406S85.9Confident89.4Confident42 Ų4238.1 Ų38.129%0.29420%0.195SC..  trans-144.3147.4-173.253.50000110.7F401 D402F401-S406 WeakPolarHBondContact CE2-OG 3.33Å; F401-S406 WeakPolarHBondContact CZ-O 3.34Å; D402-S406 PolarHBondContact O-N 3.14Å
407D85.6Confident89.3Confident83 Ų8332.9 Ų32.944%0.44417%0.172SC..SBendtrans-97.4-11.6-178.8-59.5-13.4000112.1H161 V165 L409H161-D407 IonicContact CE1-OD1 3.43Å; H161-D407 PolarHBondContact CE1-OD1 2.8Å; H161-D407 IonicContact CE1-OD2 3.46Å; H161-D407 IonicContact NE2-OD1 3.72Å; H161-D407 PolarHBondContact NE2-OD1 2.83Å; V165-D407 HydrophobicContact CG2-CB 4.14Å; V165-D407 WeakPolarHBondContact CG2-OD1 3.25Å; D407-L409 VanDerWaalsContact C-N 3.28Å; D407-L409 PolarHBondContact O-N 3.27Å
408D86.2Confident88.9Confident87 Ų8732.5 Ų32.547%0.46517%0.17SC..  trans-84.257.4-171.2-52-41.6000113.5D410 L411 A412D408-D410 PolarHBondContact O-N 3.04Å; D408-L411 HydrophobicContact CB-CB 3.93Å; D408-L411 HydrophobicContact CB-CD1 3.56Å; D408-L411 HydrophobicContact CB-CG 3.82Å; D408-L411 PolarHBondContact O-N 3.01Å; D408-A412 PolarHBondContact O-N 3.32Å
409L91.3Very high88.5Confident0 Ų035.6 Ų35.60%018%0.184CC..Hα-helixtrans-62-33.8177.9172.265.9000111.5F166 F401 D407 L411 A412 I413F166-L409 HydrophobicContact CD2-CD2 3.63Å; F166-L409 HydrophobicContact CE2-CD2 4.24Å; F166-L409 HydrophobicContact CG-CD2 4.44Å; F401-L409 HydrophobicContact CD1-CB 4.28Å; F401-L409 HydrophobicContact CD1-CD1 3.59Å; F401-L409 HydrophobicContact CE1-CB 3.65Å; F401-L409 HydrophobicContact CE1-CD1 3.86Å; F401-L409 HydrophobicContact CE1-CG 4.3Å; F401-L409 HydrophobicContact CE2-CB 4.36Å; F401-L409 HydrophobicContact CG-CD1 4.05Å; F401-L409 HydrophobicContact CZ-CB 3.69Å; D407-L409 VanDerWaalsContact C-N 3.28Å; D407-L409 PolarHBondContact O-N 3.27Å; L409-L411 PolarHBondContact O-N 2.73Å; L409-A412 PolarHBondContact O-N 3.23Å; L409-I413 HydrophobicContact CD1-CD1 4.3Å; L409-I413 HydrophobicContact CD1-CG1 4.27Å; L409-I413 HydrophobicContact CG-CD1 3.97Å; L409-I413 HydrophobicContact CG-CG1 4.4Å; L409-I413 VanDerWaalsContact O-CG1 3.28Å; L409-I413 WeakPolarHBondContact O-CG1 3.44Å; L409-I413 PolarHBondContact O-N 3.38Å
410D90.1Very high87.9Confident3 Ų337.2 Ų37.22%0.01619%0.193CC..Hα-helixtrans-58.7-45.5175.164.8-32.4000112.2G169 Q172 A173 D408 A412 I413 L414 R436G169-D410 WeakPolarHBondContact O-CB 3.4Å; Q172-D410 HydrophobicContact CB-CB 4.44Å; Q172-D410 PolarHBondContact NE2-OD2 3.28Å; A173-D410 HydrophobicContact CB-CB 3.9Å; D408-D410 PolarHBondContact O-N 3.04Å; D410-A412 VanDerWaalsContact C-N 3.3Å; D410-A412 PolarHBondContact O-N 3.35Å; D410-I413 PolarHBondContact O-N 3.25Å; D410-L414 WeakPolarHBondContact O-CG 3.5Å; D410-L414 PolarHBondContact O-N 3.14Å; D410-R436 IonicContact OD2-CZ 3.83Å; D410-R436 VanDerWaalsContact OD2-CZ 3.25Å; D410-R436 IonicContact OD2-NH1 2.83Å; D410-R436 PolarHBondContact OD2-NH1 2.65Å; D410-R436 IonicContact OD2-NH2 3.36Å; D410-R436 PolarHBondContact OD2-NH2 3.26Å
411L88.1Confident87.1Confident40 Ų4036.2 Ų36.221%0.20919%0.189CC..Hα-helixtrans-60.2-41.5175.3-69-177000111.4D408 L409 F415 D438 I439D408-L411 HydrophobicContact CB-CB 3.93Å; D408-L411 HydrophobicContact CB-CD1 3.56Å; D408-L411 HydrophobicContact CB-CG 3.82Å; D408-L411 PolarHBondContact O-N 3.01Å; L409-L411 PolarHBondContact O-N 2.73Å; L411-F415 WeakPolarHBondContact O-CB 3.27Å; L411-F415 PolarHBondContact O-N 3.14Å; L411-D438 WeakPolarHBondContact CD2-OD2 3.07Å; L411-I439 HydrophobicContact CD2-CD1 3.95Å; L411-I439 HydrophobicContact CD2-CG1 3.26Å
412A89.3Confident86Confident12 Ų1240.8 Ų40.810%0.09922%0.222CC..Hα-helixtrans-65.6-40.8179.100000112.2F401 D408 L409 D410 A416F401-A412 HydrophobicContact CB-CB 3.99Å; F401-A412 HydrophobicContact CD2-CB 3.58Å; F401-A412 HydrophobicContact CE2-CB 4.33Å; F401-A412 HydrophobicContact CG-CB 4Å; D408-A412 PolarHBondContact O-N 3.32Å; L409-A412 PolarHBondContact O-N 3.23Å; D410-A412 VanDerWaalsContact C-N 3.3Å; D410-A412 PolarHBondContact O-N 3.35Å; A412-A416 PolarHBondContact O-N 3.33Å; A412-A416 VanDerWaalsContact O-N 3.08Å
413I92.1Very high85.3Confident0 Ų043.9 Ų43.90%024%0.235CC..Hα-helixtrans-60.2-51.9176.3-68168.5000110.6L145 I147 A173 V307 V309 L409 D410 A416L145-I413 HydrophobicContact CD2-CG2 4.48Å; I147-I413 HydrophobicContact CD1-CG2 4.39Å; I147-I413 HydrophobicContact CG1-CG2 4.49Å; A173-I413 HydrophobicContact CB-CD1 4.26Å; V307-I413 HydrophobicContact CG1-CG2 3.63Å; V309-I413 HydrophobicContact CG2-CD1 4.06Å; V309-I413 HydrophobicContact CG2-CG1 3.96Å; L409-I413 HydrophobicContact CD1-CD1 4.3Å; L409-I413 HydrophobicContact CD1-CG1 4.27Å; L409-I413 HydrophobicContact CG-CD1 3.97Å; L409-I413 HydrophobicContact CG-CG1 4.4Å; L409-I413 VanDerWaalsContact O-CG1 3.28Å; L409-I413 WeakPolarHBondContact O-CG1 3.44Å; L409-I413 PolarHBondContact O-N 3.38Å; D410-I413 PolarHBondContact O-N 3.25Å; I413-A416 PolarHBondContact O-N 3.35Å
414L88.3Confident85Confident0 Ų046 Ų460%025%0.247CC..Hα-helixtrans-70.2-36.4-178.1-62.7177.8000111.9L145 T177 D410 A416 L417 I418 W434 R436 I439L145-L414 HydrophobicContact CD2-CD2 3.68Å; T177-L414 HydrophobicContact CG2-CD1 4.45Å; T177-L414 HydrophobicContact CG2-CD2 3.71Å; D410-L414 WeakPolarHBondContact O-CG 3.5Å; D410-L414 PolarHBondContact O-N 3.14Å; L414-A416 VanDerWaalsContact C-N 3.31Å; L414-A416 PolarHBondContact O-N 2.9Å; L414-L417 PolarHBondContact O-N 3.1Å; L414-I418 PolarHBondContact O-N 3.33Å; L414-W434 HydrophobicContact CB-CE3 3.94Å; L414-W434 HydrophobicContact CB-CZ3 3.8Å; L414-W434 HydrophobicContact CD1-CE3 4.3Å; L414-W434 HydrophobicContact CD2-CD2 3.89Å; L414-W434 HydrophobicContact CD2-CE3 3.68Å; L414-W434 HydrophobicContact CD2-CH2 4.29Å; L414-W434 HydrophobicContact CD2-CZ2 4.44Å; L414-W434 HydrophobicContact CD2-CZ3 3.89Å; L414-W434 HydrophobicContact CG-CE3 4.17Å; L414-W434 HydrophobicContact CG-CZ3 4.38Å; L414-W434 WeakPolarHBondContact O-CZ3 3.42Å; L414-R436 HydrophobicContact CD1-CB 4.49Å; L414-R436 HydrophobicContact CD1-CG 3.8Å; L414-I439 HydrophobicContact CB-CD1 3.41Å; L414-I439 VanDerWaalsContact CB-CD1 3.41Å; L414-I439 HydrophobicContact CD1-CD1 3.63Å; L414-I439 HydrophobicContact CG-CD1 4.16Å
415F86.7Confident84.7Confident42 Ų4244 Ų4418%0.18424%0.236CC..Hα-helixtrans-63.9-34.7176.1178.8-109.9000112.5T399 L411 L417 I418 K419 K443T399-F415 HydrophobicContact CG2-CD1 4.19Å; L411-F415 WeakPolarHBondContact O-CB 3.27Å; L411-F415 PolarHBondContact O-N 3.14Å; F415-L417 PolarHBondContact O-N 2.95Å; F415-I418 PolarHBondContact O-N 3.47Å; F415-I418 VanDerWaalsContact O-N 3.16Å; F415-K419 HydrophobicContact CE1-CB 4.38Å; F415-K419 HydrophobicContact CE1-CD 4.17Å; F415-K419 HydrophobicContact CZ-CB 4.36Å; F415-K419 VanDerWaalsContact O-CB 3.31Å; F415-K419 WeakPolarHBondContact O-CB 3.46Å; F415-K419 PolarHBondContact O-N 2.94Å; F415-K443 HydrophobicContact CD2-CB 3.75Å; F415-K443 HydrophobicContact CD2-CD 4.23Å; F415-K443 HydrophobicContact CD2-CG 3.74Å; F415-K443 HydrophobicContact CE2-CB 3.63Å; F415-K443 HydrophobicContact CE2-CD 4.05Å; F415-K443 HydrophobicContact CE2-CG 3.89Å; F415-K443 HydrophobicContact CG-CG 4.41Å; F415-K443 HydrophobicContact CZ-CD 4.34Å
416A88.2Confident84.4Confident0 Ų041 Ų410%022%0.223CC..Hα-helixtrans-60-34178.500000113V307 P330 V332 T399 A412 I413 L414 T420V307-A416 HydrophobicContact CG2-CB 4.26Å; P330-A416 HydrophobicContact CB-CB 4.48Å; V332-A416 HydrophobicContact CG2-CB 3.55Å; T399-A416 WeakPolarHBondContact OG1-CA 3.36Å; T399-A416 WeakPolarHBondContact OG1-CB 3.47Å; A412-A416 PolarHBondContact O-N 3.33Å; A412-A416 VanDerWaalsContact O-N 3.08Å; I413-A416 PolarHBondContact O-N 3.35Å; L414-A416 VanDerWaalsContact C-N 3.31Å; L414-A416 PolarHBondContact O-N 2.9Å; A416-T420 PolarHBondContact O-N 3.33Å; A416-T420 PolarHBondContact O-OG1 3.22Å
417L86Confident84.2Confident7 Ų740.4 Ų40.44%0.03722%0.215CC..Hα-helixtrans-76.5-35.7176.4-66.6165.5000112.8L145 P305 V306 V307 P330 L414 F415 T420 W434L145-L417 HydrophobicContact CD1-CD1 3.25Å; L145-L417 HydrophobicContact CD1-CG 4.5Å; L145-L417 HydrophobicContact CD2-CD1 4.43Å; L145-L417 HydrophobicContact CG-CD1 4.48Å; P305-L417 HydrophobicContact CB-CD1 4.43Å; P305-L417 HydrophobicContact CB-CD2 3.86Å; V306-L417 WeakPolarHBondContact O-CD2 3.47Å; V307-L417 HydrophobicContact CB-CD1 4.38Å; V307-L417 HydrophobicContact CB-CD2 3.99Å; V307-L417 HydrophobicContact CB-CG 4.15Å; V307-L417 HydrophobicContact CG1-CD1 4.43Å; P330-L417 HydrophobicContact CG-CD2 3.72Å; L414-L417 PolarHBondContact O-N 3.1Å; F415-L417 PolarHBondContact O-N 2.95Å; L417-T420 VanDerWaalsContact C-OG1 3.28Å; L417-T420 VanDerWaalsContact CA-OG1 3.31Å; L417-T420 WeakPolarHBondContact CA-OG1 3.29Å; L417-T420 PolarHBondContact O-OG1 3.49Å; L417-W434 HydrophobicContact CB-CH2 3.63Å; L417-W434 HydrophobicContact CB-CZ2 4.47Å; L417-W434 HydrophobicContact CB-CZ3 4.47Å; L417-W434 HydrophobicContact CD1-CH2 3.49Å; L417-W434 VanDerWaalsContact CD1-CH2 3.49Å; L417-W434 HydrophobicContact CD1-CZ2 3.74Å; L417-W434 HydrophobicContact CD1-CZ3 4.46Å; L417-W434 HydrophobicContact CG-CH2 4.24Å
418I82.8Confident84.1Confident2 Ų236.4 Ų36.41%0.0119%0.194CC..Hα-helixtrans-67.7-44175.1-71.6167.3000109.3L414 F415 T420 S421 Q427 A431 W434 I439 I444L414-I418 PolarHBondContact O-N 3.33Å; F415-I418 PolarHBondContact O-N 3.47Å; F415-I418 VanDerWaalsContact O-N 3.16Å; I418-T420 PolarHBondContact O-N 3.17Å; I418-S421 PolarHBondContact O-N 3.35Å; I418-S421 VanDerWaalsContact O-N 3.12Å; I418-Q427 HydrophobicContact CG2-CB 3.79Å; I418-Q427 HydrophobicContact CG2-CG 3.64Å; I418-Q427 WeakPolarHBondContact O-CG 3.5Å; I418-Q427 PolarHBondContact O-NE2 3.17Å; I418-A431 HydrophobicContact CD1-CB 4.31Å; I418-W434 HydrophobicContact CD1-CZ3 3.91Å; I418-W434 HydrophobicContact CG1-CH2 4.48Å; I418-W434 HydrophobicContact CG1-CZ3 3.93Å; I418-I439 HydrophobicContact CD1-CG2 3.48Å; I418-I439 VanDerWaalsContact CD1-CG2 3.48Å; I418-I444 HydrophobicContact CG2-CD1 4.16Å; I418-I444 HydrophobicContact CG2-CG1 4.32Å
419K84.5Confident84.1Confident65 Ų6536.6 Ų36.628%0.28319%0.188SC..Hα-helixtrans-59.9-31.7179.8-171.3-173.8179.8-171.60113.2T395 I398 F415T395-K419 VanDerWaalsContact O-CE 3.31Å; T395-K419 WeakPolarHBondContact O-CE 3.43Å; T395-K419 PolarHBondContact O-NZ 3.35Å; I398-K419 PolarHBondContact O-NZ 2.88Å; F415-K419 HydrophobicContact CE1-CB 4.38Å; F415-K419 HydrophobicContact CE1-CD 4.17Å; F415-K419 HydrophobicContact CZ-CB 4.36Å; F415-K419 VanDerWaalsContact O-CB 3.31Å; F415-K419 WeakPolarHBondContact O-CB 3.46Å; F415-K419 PolarHBondContact O-N 2.94Å
420T79.8Confident83.7Confident44 Ų4438.4 Ų38.427%0.2720%0.198SC..Hα-helixtrans-72.3-30.2178.721.10000112.8P330 L397 A416 L417 I418P330-T420 HydrophobicContact CB-CG2 3.82Å; P330-T420 HydrophobicContact CG-CG2 4.15Å; L397-T420 HydrophobicContact CD2-CG2 3.44Å; L397-T420 VanDerWaalsContact CD2-CG2 3.44Å; L397-T420 HydrophobicContact CG-CG2 4.26Å; A416-T420 PolarHBondContact O-N 3.33Å; A416-T420 PolarHBondContact O-OG1 3.22Å; L417-T420 VanDerWaalsContact C-OG1 3.28Å; L417-T420 VanDerWaalsContact CA-OG1 3.31Å; L417-T420 WeakPolarHBondContact CA-OG1 3.29Å; L417-T420 PolarHBondContact O-OG1 3.49Å; I418-T420 PolarHBondContact O-N 3.17Å
421S75.7Confident83.5Confident29 Ų2938.2 Ų38.220%0.20320%0.197CC..  trans-76.2124.3176.2-650000110.4I418 Q427I418-S421 PolarHBondContact O-N 3.35Å; I418-S421 VanDerWaalsContact O-N 3.12Å; S421-Q427 PolarHBondContact O-NE2 2.83Å
422S69.9Low83.3Confident107 Ų10736.4 Ų36.475%0.74819%0.187SC*.  trans-78.1-24.2175.849.40000113.5
423E78.7Confident83Confident99 Ų9938.3 Ų38.346%0.46320%0.198SC..  trans-91.3124.4-176.2-70.7171.5-178.700111.1D425 K426 Q427E423-D425 VanDerWaalsContact C-N 3.28Å; E423-D425 PolarHBondContact O-N 2.87Å; E423-K426 HydrophobicContact CB-CB 4.43Å; E423-K426 HydrophobicContact CB-CD 4.41Å; E423-K426 HydrophobicContact CB-CG 4.42Å; E423-K426 PolarHBondContact O-N 2.95Å; E423-K426 IonicContact OE1-NZ 2.73Å; E423-K426 WeakPolarHBondContact OE2-CD 3.39Å; E423-K426 WeakPolarHBondContact OE2-CE 3.07Å; E423-K426 IonicContact OE2-NZ 2.63Å; E423-K426 PolarHBondContact OE2-NZ 2.79Å; E423-Q427 WeakPolarHBondContact O-CG 3.38Å; E423-Q427 PolarHBondContact O-N 3.49Å; E423-Q427 VanDerWaalsContact O-N 3.16Å
424L80.4Confident82.5Confident45 Ų4538.4 Ų38.424%0.23620%0.198CC..Hα-helixtrans-60.7-35179.6-174.467.9000113Q427 L428 I444 V451L424-Q427 WeakPolarHBondContact O-CB 3.37Å; L424-Q427 PolarHBondContact O-N 2.85Å; L424-L428 HydrophobicContact CG-CD1 4.11Å; L424-L428 PolarHBondContact O-N 3.36Å; L424-I444 HydrophobicContact CD1-CG2 3.35Å; L424-V451 HydrophobicContact CD2-CB 4.2Å; L424-V451 HydrophobicContact CD2-CG1 3.54Å; L424-V451 HydrophobicContact CD2-CG2 3.65Å
425D81.6Confident82.1Confident47 Ų4742 Ų4225%0.25122%0.217SC..Hα-helixtrans-60.6-47.7176.9-178.752000111.3E423 Q427 L428 R429 I455E423-D425 VanDerWaalsContact C-N 3.28Å; E423-D425 PolarHBondContact O-N 2.87Å; D425-Q427 VanDerWaalsContact C-N 3.33Å; D425-Q427 PolarHBondContact O-N 3.32Å; D425-L428 PolarHBondContact O-N 3.05Å; D425-R429 VanDerWaalsContact CG-NE 3.33Å; D425-R429 WeakPolarHBondContact O-CB 3.35Å; D425-R429 VanDerWaalsContact O-CG 3.28Å; D425-R429 WeakPolarHBondContact O-CG 3.35Å; D425-R429 PolarHBondContact O-N 3.1Å; D425-R429 IonicContact OD1-CZ 2.75Å; D425-R429 IonicContact OD1-NE 3.58Å; D425-R429 PolarHBondContact OD1-NE 3Å; D425-R429 VanDerWaalsContact OD1-NE 3.15Å; D425-R429 IonicContact OD1-NH2 3.73Å; D425-R429 IonicContact OD2-CZ 2.97Å; D425-R429 IonicContact OD2-NE 2.67Å; D425-R429 PolarHBondContact OD2-NE 2.81Å; D425-R429 IonicContact OD2-NH2 2.87Å; D425-I455 HydrophobicContact CB-CG2 4.06Å
426K80.8Confident81.9Confident106 Ų10641.4 Ų41.446%0.46121%0.214SC..Hα-helixtrans-62.9-40.7176.6-73.7179.5177.11410112E423 R429 L430E423-K426 HydrophobicContact CB-CB 4.43Å; E423-K426 HydrophobicContact CB-CD 4.41Å; E423-K426 HydrophobicContact CB-CG 4.42Å; E423-K426 PolarHBondContact O-N 2.95Å; E423-K426 IonicContact OE1-NZ 2.73Å; E423-K426 WeakPolarHBondContact OE2-CD 3.39Å; E423-K426 WeakPolarHBondContact OE2-CE 3.07Å; E423-K426 IonicContact OE2-NZ 2.63Å; E423-K426 PolarHBondContact OE2-NZ 2.79Å; K426-R429 PolarHBondContact O-N 3.17Å; K426-L430 WeakPolarHBondContact O-CB 3.23Å; K426-L430 VanDerWaalsContact O-CG 3.3Å; K426-L430 WeakPolarHBondContact O-CG 3.29Å; K426-L430 PolarHBondContact O-N 3.17Å
427Q82.6Confident81.6Confident30 Ų3042.7 Ų42.714%0.1422%0.223CC..Hα-helixtrans-58.4-48.7176.3-73.3-173.7-12.600112I418 S421 E423 L424 D425 L430 A431 I444I418-Q427 HydrophobicContact CG2-CB 3.79Å; I418-Q427 HydrophobicContact CG2-CG 3.64Å; I418-Q427 WeakPolarHBondContact O-CG 3.5Å; I418-Q427 PolarHBondContact O-NE2 3.17Å; S421-Q427 PolarHBondContact O-NE2 2.83Å; E423-Q427 WeakPolarHBondContact O-CG 3.38Å; E423-Q427 PolarHBondContact O-N 3.49Å; E423-Q427 VanDerWaalsContact O-N 3.16Å; L424-Q427 WeakPolarHBondContact O-CB 3.37Å; L424-Q427 PolarHBondContact O-N 2.85Å; D425-Q427 VanDerWaalsContact C-N 3.33Å; D425-Q427 PolarHBondContact O-N 3.32Å; Q427-L430 PolarHBondContact O-N 2.79Å; Q427-A431 PolarHBondContact O-N 3.38Å; Q427-A431 VanDerWaalsContact O-N 3.1Å; Q427-I444 HydrophobicContact CB-CD1 4.12Å
428L83.9Confident81.5Confident0 Ų045 Ų450%024%0.235CC..Hα-helixtrans-70.9-37.8-179.8-74.5170.1000112.3L424 D425 A431 L432 A440 I444 F445 L456 I459L424-L428 HydrophobicContact CG-CD1 4.11Å; L424-L428 PolarHBondContact O-N 3.36Å; D425-L428 PolarHBondContact O-N 3.05Å; L428-A431 PolarHBondContact O-N 2.73Å; L428-L432 WeakPolarHBondContact O-CB 3.36Å; L428-L432 PolarHBondContact O-N 2.78Å; L428-A440 HydrophobicContact CD2-CB 4.25Å; L428-I444 HydrophobicContact CD2-CB 4.46Å; L428-I444 HydrophobicContact CD2-CD1 3.87Å; L428-I444 HydrophobicContact CD2-CG2 3.95Å; L428-I444 HydrophobicContact CG-CD1 4.32Å; L428-I444 HydrophobicContact CG-CG2 4.24Å; L428-F445 HydrophobicContact CD1-CZ 4.43Å; L428-F445 HydrophobicContact CD2-CE1 4.37Å; L428-F445 HydrophobicContact CD2-CE2 3.91Å; L428-F445 HydrophobicContact CD2-CZ 3.6Å; L428-L456 HydrophobicContact CD1-CD2 4.07Å; L428-I459 HydrophobicContact CB-CD1 3.35Å; L428-I459 HydrophobicContact CD1-CD1 3.75Å; L428-I459 HydrophobicContact CG-CD1 4.2Å
429R84.6Confident81.5Confident90 Ų9045 Ų4534%0.3424%0.235SC..Hα-helixtrans-61-43.4173.5-75.1177.5-171.3-89.61.9112D425 K426 L432 T433 E462D425-R429 VanDerWaalsContact CG-NE 3.33Å; D425-R429 WeakPolarHBondContact O-CB 3.35Å; D425-R429 VanDerWaalsContact O-CG 3.28Å; D425-R429 WeakPolarHBondContact O-CG 3.35Å; D425-R429 PolarHBondContact O-N 3.1Å; D425-R429 IonicContact OD1-CZ 2.75Å; D425-R429 IonicContact OD1-NE 3.58Å; D425-R429 PolarHBondContact OD1-NE 3Å; D425-R429 VanDerWaalsContact OD1-NE 3.15Å; D425-R429 IonicContact OD1-NH2 3.73Å; D425-R429 IonicContact OD2-CZ 2.97Å; D425-R429 IonicContact OD2-NE 2.67Å; D425-R429 PolarHBondContact OD2-NE 2.81Å; D425-R429 IonicContact OD2-NH2 2.87Å; K426-R429 PolarHBondContact O-N 3.17Å; R429-L432 PolarHBondContact O-N 3.05Å; R429-T433 WeakPolarHBondContact O-CG2 3.34Å; R429-T433 PolarHBondContact O-N 3.29Å; R429-T433 PolarHBondContact O-OG1 3Å; R429-E462 IonicContact NH1-OE2 3.88Å; R429-E462 PolarHBondContact NH1-OE2 3.03Å; R429-E462 VanDerWaalsContact NH1-OE2 3.14Å
430L83.1Confident81.3Confident38 Ų3842 Ų4220%0.19922%0.222CC..Hα-helixtrans-61.2-48.2175.9-75.1168.8000111.1P305 K426 Q427 L432 T433 W434P305-L430 HydrophobicContact CG-CD2 4.48Å; K426-L430 WeakPolarHBondContact O-CB 3.23Å; K426-L430 VanDerWaalsContact O-CG 3.3Å; K426-L430 WeakPolarHBondContact O-CG 3.29Å; K426-L430 PolarHBondContact O-N 3.17Å; Q427-L430 PolarHBondContact O-N 2.79Å; L430-L432 VanDerWaalsContact C-N 3.27Å; L430-L432 PolarHBondContact O-N 3.41Å; L430-T433 WeakPolarHBondContact CA-OG1 3.19Å; L430-T433 PolarHBondContact O-N 3.33Å; L430-T433 PolarHBondContact O-OG1 3.12Å; L430-W434 HydrophobicContact CB-CE3 4.47Å; L430-W434 HydrophobicContact CB-CH2 3.98Å; L430-W434 HydrophobicContact CB-CZ2 4.2Å; L430-W434 HydrophobicContact CB-CZ3 4.15Å; L430-W434 HydrophobicContact CD1-CH2 4.41Å; L430-W434 HydrophobicContact CD2-CH2 4.27Å; L430-W434 HydrophobicContact CD2-CZ2 3.82Å; L430-W434 HydrophobicContact CG-CH2 4.45Å; L430-W434 HydrophobicContact CG-CZ2 4.47Å; L430-W434 VanDerWaalsContact O-CD2 3.28Å; L430-W434 VanDerWaalsContact O-CG 3.28Å; L430-W434 PolarHBondContact O-N 3.22Å
431A85.4Confident81.4Confident0 Ų044.6 Ų44.60%023%0.231CC..Hα-helixtrans-59.1-39.8177.100000112I418 Q427 L428 W434 D435 R436 A440 I444 F471I418-A431 HydrophobicContact CD1-CB 4.31Å; Q427-A431 PolarHBondContact O-N 3.38Å; Q427-A431 VanDerWaalsContact O-N 3.1Å; L428-A431 PolarHBondContact O-N 2.73Å; A431-W434 PolarHBondContact O-N 3.19Å; A431-D435 PolarHBondContact O-N 3.25Å; A431-R436 PolarHBondContact O-N 3.44Å; A431-A440 HydrophobicContact CB-CB 4.25Å; A431-I444 HydrophobicContact CB-CD1 4.47Å; A431-F471 HydrophobicContact CB-CE1 4.37Å; A431-F471 HydrophobicContact CB-CZ 3.78Å; A431-F471 WeakPolarHBondContact O-CE2 2.9Å; A431-F471 WeakPolarHBondContact O-CZ 3.26Å
432L85.8Confident81.4Confident1 Ų145.4 Ų45.41%0.00524%0.239CC..Hα-helixtrans-66.6-43.2175.8-177.569.4000112.1L428 R429 L430 W434 D435 I459 E462 A463 K468 F471L428-L432 WeakPolarHBondContact O-CB 3.36Å; L428-L432 PolarHBondContact O-N 2.78Å; R429-L432 PolarHBondContact O-N 3.05Å; L430-L432 VanDerWaalsContact C-N 3.27Å; L430-L432 PolarHBondContact O-N 3.41Å; L432-W434 PolarHBondContact O-N 2.66Å; L432-D435 PolarHBondContact O-N 3.32Å; L432-I459 HydrophobicContact CD2-CG2 4.06Å; L432-E462 HydrophobicContact CD2-CB 3.77Å; L432-E462 HydrophobicContact CD2-CG 3.78Å; L432-A463 HydrophobicContact CD1-CB 3.65Å; L432-A463 HydrophobicContact CD2-CB 4.28Å; L432-K468 HydrophobicContact CD1-CB 4.16Å; L432-K468 HydrophobicContact CD1-CG 4.15Å; L432-F471 HydrophobicContact CB-CD1 4.49Å; L432-F471 HydrophobicContact CB-CE1 4.26Å; L432-F471 HydrophobicContact CB-CZ 4.34Å; L432-F471 HydrophobicContact CD1-CB 3.78Å; L432-F471 HydrophobicContact CD1-CD1 3.81Å; L432-F471 HydrophobicContact CD1-CD2 3.8Å; L432-F471 HydrophobicContact CD1-CE1 4.36Å; L432-F471 HydrophobicContact CD1-CE2 4.35Å; L432-F471 HydrophobicContact CD1-CG 3.5Å
433T81.9Confident81.6Confident52 Ų5245.3 Ų45.332%0.31923%0.225SC..Hα-helixtrans-63.5-32.8178.948.70000112.6R429 L430 D435R429-T433 WeakPolarHBondContact O-CG2 3.34Å; R429-T433 PolarHBondContact O-N 3.29Å; R429-T433 PolarHBondContact O-OG1 3Å; L430-T433 WeakPolarHBondContact CA-OG1 3.19Å; L430-T433 PolarHBondContact O-N 3.33Å; L430-T433 PolarHBondContact O-OG1 3.12Å; T433-D435 VanDerWaalsContact C-N 3.33Å
434W80.8Confident81.5Confident2 Ų241 Ų411%0.00821%0.206CC..THydrogen-bonded Turntrans-86.3-4.3178.5-59.1-27.6000113.9S144 T177 P305 L414 L417 I418 L430 A431 L432 R436S144-W434 PolarHBondContact O-NE1 2.99Å; S144-W434 VanDerWaalsContact OG-CD1 3.32Å; T177-W434 HydrophobicContact CG2-CB 3.87Å; T177-W434 VanDerWaalsContact CG2-CD1 3.46Å; T177-W434 HydrophobicContact CG2-CD2 4.18Å; T177-W434 HydrophobicContact CG2-CG 3.57Å; P305-W434 HydrophobicContact CG-CZ2 4.19Å; L414-W434 HydrophobicContact CB-CE3 3.94Å; L414-W434 HydrophobicContact CB-CZ3 3.8Å; L414-W434 HydrophobicContact CD1-CE3 4.3Å; L414-W434 HydrophobicContact CD2-CD2 3.89Å; L414-W434 HydrophobicContact CD2-CE3 3.68Å; L414-W434 HydrophobicContact CD2-CH2 4.29Å; L414-W434 HydrophobicContact CD2-CZ2 4.44Å; L414-W434 HydrophobicContact CD2-CZ3 3.89Å; L414-W434 HydrophobicContact CG-CE3 4.17Å; L414-W434 HydrophobicContact CG-CZ3 4.38Å; L414-W434 WeakPolarHBondContact O-CZ3 3.42Å; L417-W434 HydrophobicContact CB-CH2 3.63Å; L417-W434 HydrophobicContact CB-CZ2 4.47Å; L417-W434 HydrophobicContact CB-CZ3 4.47Å; L417-W434 HydrophobicContact CD1-CH2 3.49Å; L417-W434 VanDerWaalsContact CD1-CH2 3.49Å; L417-W434 HydrophobicContact CD1-CZ2 3.74Å; L417-W434 HydrophobicContact CD1-CZ3 4.46Å; L417-W434 HydrophobicContact CG-CH2 4.24Å; I418-W434 HydrophobicContact CD1-CZ3 3.91Å; I418-W434 HydrophobicContact CG1-CH2 4.48Å; I418-W434 HydrophobicContact CG1-CZ3 3.93Å; L430-W434 HydrophobicContact CB-CE3 4.47Å; L430-W434 HydrophobicContact CB-CH2 3.98Å; L430-W434 HydrophobicContact CB-CZ2 4.2Å; L430-W434 HydrophobicContact CB-CZ3 4.15Å; L430-W434 HydrophobicContact CD1-CH2 4.41Å; L430-W434 HydrophobicContact CD2-CH2 4.27Å; L430-W434 HydrophobicContact CD2-CZ2 3.82Å; L430-W434 HydrophobicContact CG-CH2 4.45Å; L430-W434 HydrophobicContact CG-CZ2 4.47Å; L430-W434 VanDerWaalsContact O-CD2 3.28Å; L430-W434 VanDerWaalsContact O-CG 3.28Å; L430-W434 PolarHBondContact O-N 3.22Å; A431-W434 PolarHBondContact O-N 3.19Å; L432-W434 PolarHBondContact O-N 2.66Å; W434-R436 HydrophobicContact CB-CG 4.42Å; W434-R436 PolarHBondContact O-N 3.43Å
435D80.8Confident81.3Confident75 Ų7539.9 Ų39.940%0.40120%0.199SC..THydrogen-bonded Turntrans55.136.2-175.9-157.528.2000113.9A431 L432 T433 K468A431-D435 PolarHBondContact O-N 3.25Å; L432-D435 PolarHBondContact O-N 3.32Å; T433-D435 VanDerWaalsContact C-N 3.33Å; D435-K468 HydrophobicContact CB-CD 4.5Å; D435-K468 WeakPolarHBondContact OD1-CD 3.43Å; D435-K468 WeakPolarHBondContact OD1-CE 3.45Å; D435-K468 IonicContact OD1-NZ 3.92Å; D435-K468 PolarHBondContact OD1-NZ 3.35Å; D435-K468 WeakPolarHBondContact OD2-CE 3.47Å; D435-K468 IonicContact OD2-NZ 3.06Å; D435-K468 PolarHBondContact OD2-NZ 3.08Å
436R82.4Confident80.8Confident30 Ų3047.6 Ų47.611%0.11322%0.224CC..  trans-112.280.6178.6-70.5-58.7-64-133.6-13.1110.8Q172 D410 L414 A431 W434 D438 I439Q172-R436 VanDerWaalsContact NE2-NH1 3.1Å; D410-R436 IonicContact OD2-CZ 3.83Å; D410-R436 VanDerWaalsContact OD2-CZ 3.25Å; D410-R436 IonicContact OD2-NH1 2.83Å; D410-R436 PolarHBondContact OD2-NH1 2.65Å; D410-R436 IonicContact OD2-NH2 3.36Å; D410-R436 PolarHBondContact OD2-NH2 3.26Å; L414-R436 HydrophobicContact CD1-CB 4.49Å; L414-R436 HydrophobicContact CD1-CG 3.8Å; A431-R436 PolarHBondContact O-N 3.44Å; W434-R436 HydrophobicContact CB-CG 4.42Å; W434-R436 PolarHBondContact O-N 3.43Å; R436-D438 VanDerWaalsContact C-N 3.29Å; R436-D438 VanDerWaalsContact C-OD1 3.24Å; R436-D438 WeakPolarHBondContact CA-OD1 3.32Å; R436-D438 WeakPolarHBondContact CB-OD1 3.39Å; R436-D438 IonicContact CZ-OD1 3.71Å; R436-D438 IonicContact CZ-OD2 3.85Å; R436-D438 IonicContact NE-OD1 2.8Å; R436-D438 PolarHBondContact NE-OD1 3.44Å; R436-D438 IonicContact NE-OD2 2.75Å; R436-D438 PolarHBondContact NE-OD2 2.61Å; R436-D438 VanDerWaalsContact NE-OD2 3.14Å; R436-D438 IonicContact NH2-OD1 2.73Å; R436-D438 IonicContact NH2-OD2 3.74Å; R436-D438 PolarHBondContact NH2-OD2 2.86Å; R436-I439 HydrophobicContact CB-CD1 3.57Å; R436-I439 HydrophobicContact CB-CG1 4.01Å; R436-I439 HydrophobicContact CG-CD1 4.14Å; R436-I439 PolarHBondContact O-N 2.97Å
437C82.8Confident79.8Confident28 Ų2848 Ų4819%0.18923%0.228CC..Hα-helixtrans-70.6-29-177.869.40000112.4I439 A440 E441 D470 F471 I474C437-I439 VanDerWaalsContact C-N 3.34Å; C437-I439 PolarHBondContact O-N 2.94Å; C437-A440 WeakPolarHBondContact O-CB 3.48Å; C437-A440 PolarHBondContact O-N 3.03Å; C437-A440 VanDerWaalsContact O-N 3.16Å; C437-E441 PolarHBondContact O-N 2.9Å; C437-D470 HydrophobicContact CB-CB 4.38Å; C437-F471 VanDerWaalsContact CA-CE2 3.4Å; C437-F471 HydrophobicContact CB-CD2 3.61Å; C437-F471 HydrophobicContact CB-CE2 3.61Å; C437-F471 HydrophobicContact CB-CG 4.2Å; C437-F471 HydrophobicContact CB-CZ 4.19Å; C437-I474 HydrophobicContact CB-CD1 3.53Å
438D83.8Confident78.6Confident55 Ų5549.9 Ų49.929%0.29426%0.256SS..Hα-helixtrans-58.4-39.5173.557-15000113.2L411 R436 E441 A442L411-D438 WeakPolarHBondContact CD2-OD2 3.07Å; R436-D438 VanDerWaalsContact C-N 3.29Å; R436-D438 VanDerWaalsContact C-OD1 3.24Å; R436-D438 WeakPolarHBondContact CA-OD1 3.32Å; R436-D438 WeakPolarHBondContact CB-OD1 3.39Å; R436-D438 IonicContact CZ-OD1 3.71Å; R436-D438 IonicContact CZ-OD2 3.85Å; R436-D438 IonicContact NE-OD1 2.8Å; R436-D438 PolarHBondContact NE-OD1 3.44Å; R436-D438 IonicContact NE-OD2 2.75Å; R436-D438 PolarHBondContact NE-OD2 2.61Å; R436-D438 VanDerWaalsContact NE-OD2 3.14Å; R436-D438 IonicContact NH2-OD1 2.73Å; R436-D438 IonicContact NH2-OD2 3.74Å; R436-D438 PolarHBondContact NH2-OD2 2.86Å; D438-E441 PolarHBondContact O-N 3.33Å; D438-A442 WeakPolarHBondContact O-CB 3.28Å; D438-A442 PolarHBondContact O-N 3.16Å
439I82Confident77.6Confident3 Ų356.9 Ų56.92%0.01529%0.286CS..Hα-helixtrans-63.8-45174.2-61.4169.4000110.6L411 L414 I418 R436 C437 E441 K443L411-I439 HydrophobicContact CD2-CD1 3.95Å; L411-I439 HydrophobicContact CD2-CG1 3.26Å; L414-I439 HydrophobicContact CB-CD1 3.41Å; L414-I439 VanDerWaalsContact CB-CD1 3.41Å; L414-I439 HydrophobicContact CD1-CD1 3.63Å; L414-I439 HydrophobicContact CG-CD1 4.16Å; I418-I439 HydrophobicContact CD1-CG2 3.48Å; I418-I439 VanDerWaalsContact CD1-CG2 3.48Å; R436-I439 HydrophobicContact CB-CD1 3.57Å; R436-I439 HydrophobicContact CB-CG1 4.01Å; R436-I439 HydrophobicContact CG-CD1 4.14Å; R436-I439 PolarHBondContact O-N 2.97Å; C437-I439 VanDerWaalsContact C-N 3.34Å; C437-I439 PolarHBondContact O-N 2.94Å; I439-E441 VanDerWaalsContact C-N 3.33Å; I439-E441 PolarHBondContact O-N 3.25Å; I439-K443 WeakPolarHBondContact O-CB 3.48Å; I439-K443 PolarHBondContact O-N 3.34Å
440A79.8Confident76.6Confident0 Ų062 Ų620%031%0.314CS..Iπ-helixtrans-61.8-45.7179.900000110.5L428 A431 C437 I444 F445 F471L428-A440 HydrophobicContact CD2-CB 4.25Å; A431-A440 HydrophobicContact CB-CB 4.25Å; C437-A440 WeakPolarHBondContact O-CB 3.48Å; C437-A440 PolarHBondContact O-N 3.03Å; C437-A440 VanDerWaalsContact O-N 3.16Å; A440-I444 HydrophobicContact CB-CD1 4.22Å; A440-I444 WeakPolarHBondContact O-CA 3.18Å; A440-I444 VanDerWaalsContact O-CB 3.25Å; A440-I444 WeakPolarHBondContact O-CB 3.17Å; A440-I444 PolarHBondContact O-N 3.35Å; A440-F445 HydrophobicContact CB-CD2 4.27Å; A440-F445 HydrophobicContact CB-CE2 3.93Å; A440-F445 WeakPolarHBondContact O-CD2 3.32Å; A440-F445 PolarHBondContact O-N 3.19Å; A440-F471 HydrophobicContact CB-CE1 3.98Å; A440-F471 HydrophobicContact CB-CZ 4.11Å
441E81.8Confident76.1Confident99 Ų9961.4 Ų61.446%0.46331%0.312SS..Iπ-helixtrans-63.9-53.4177.9-169.9176.9-177.700112.5C437 D438 I439 K443 R446 I474C437-E441 PolarHBondContact O-N 2.9Å; D438-E441 PolarHBondContact O-N 3.33Å; I439-E441 VanDerWaalsContact C-N 3.33Å; I439-E441 PolarHBondContact O-N 3.25Å; E441-K443 PolarHBondContact O-N 2.86Å; E441-R446 PolarHBondContact O-N 3.09Å; E441-I474 HydrophobicContact CB-CD1 4.17Å
442A77.2Confident75.8Confident46 Ų4668.4 Ų68.438%0.3834%0.342SS..Iπ-helixtrans-72.2-32.8-171.800000113.6D438D438-A442 WeakPolarHBondContact O-CB 3.28Å; D438-A442 PolarHBondContact O-N 3.16Å
443K73.7Confident75.4Confident105 Ų10571.1 Ų71.146%0.45736%0.36SS..Iπ-helixtrans-119.1-28.8-168.8-61.7-67.6-176.6178.40114.6F415 I439 E441 Q447F415-K443 HydrophobicContact CD2-CB 3.75Å; F415-K443 HydrophobicContact CD2-CD 4.23Å; F415-K443 HydrophobicContact CD2-CG 3.74Å; F415-K443 HydrophobicContact CE2-CB 3.63Å; F415-K443 HydrophobicContact CE2-CD 4.05Å; F415-K443 HydrophobicContact CE2-CG 3.89Å; F415-K443 HydrophobicContact CG-CG 4.41Å; F415-K443 HydrophobicContact CZ-CD 4.34Å; I439-K443 WeakPolarHBondContact O-CB 3.48Å; I439-K443 PolarHBondContact O-N 3.34Å; E441-K443 PolarHBondContact O-N 2.86Å; K443-Q447 WeakPolarHBondContact O-CG 3.25Å; K443-Q447 PolarHBondContact O-NE2 3.23Å
444I76.3Confident75.4Confident9 Ų974.1 Ų74.15%0.04637%0.374CS..Iπ-helixtrans-92.7-57.9-178.3-54.1179.6000109.8I418 L424 Q427 L428 A431 A440I418-I444 HydrophobicContact CG2-CD1 4.16Å; I418-I444 HydrophobicContact CG2-CG1 4.32Å; L424-I444 HydrophobicContact CD1-CG2 3.35Å; Q427-I444 HydrophobicContact CB-CD1 4.12Å; L428-I444 HydrophobicContact CD2-CB 4.46Å; L428-I444 HydrophobicContact CD2-CD1 3.87Å; L428-I444 HydrophobicContact CD2-CG2 3.95Å; L428-I444 HydrophobicContact CG-CD1 4.32Å; L428-I444 HydrophobicContact CG-CG2 4.24Å; A431-I444 HydrophobicContact CB-CD1 4.47Å; A440-I444 HydrophobicContact CB-CD1 4.22Å; A440-I444 WeakPolarHBondContact O-CA 3.18Å; A440-I444 VanDerWaalsContact O-CB 3.25Å; A440-I444 WeakPolarHBondContact O-CB 3.17Å; A440-I444 PolarHBondContact O-N 3.35Å
445F76.8Confident75.5Confident21 Ų2176.9 Ų76.99%0.09239%0.389CS..G310 helixtrans-75.1-34.1-174.4-65.9-63.6000113.7L428 A440 Q447 G448 V451 L456 I474 L475 N478L428-F445 HydrophobicContact CD1-CZ 4.43Å; L428-F445 HydrophobicContact CD2-CE1 4.37Å; L428-F445 HydrophobicContact CD2-CE2 3.91Å; L428-F445 HydrophobicContact CD2-CZ 3.6Å; A440-F445 HydrophobicContact CB-CD2 4.27Å; A440-F445 HydrophobicContact CB-CE2 3.93Å; A440-F445 WeakPolarHBondContact O-CD2 3.32Å; A440-F445 PolarHBondContact O-N 3.19Å; F445-Q447 PolarHBondContact O-N 2.88Å; F445-G448 PolarHBondContact O-N 3.38Å; F445-V451 HydrophobicContact CD1-CG2 4.46Å; F445-V451 HydrophobicContact CE1-CG2 4.36Å; F445-L456 HydrophobicContact CE1-CD2 4.08Å; F445-L456 HydrophobicContact CZ-CD2 4.28Å; F445-I474 HydrophobicContact CD2-CG2 3.65Å; F445-I474 HydrophobicContact CE2-CG2 3.45Å; F445-I474 VanDerWaalsContact CE2-CG2 3.45Å; F445-I474 HydrophobicContact CZ-CG2 4.38Å; F445-L475 HydrophobicContact CZ-CD2 4.1Å; F445-N478 HydrophobicContact CD1-CB 3.77Å; F445-N478 HydrophobicContact CE1-CB 3.84Å; F445-N478 HydrophobicContact CG-CB 4.31Å; F445-N478 HydrophobicContact CZ-CB 4.43Å
446R69.6Low75.8Confident210 Ų21073.3 Ų73.379%0.79237%0.369SS*.G310 helixtrans-62.3-11.9176.5-95-171.8178.9179.41.7115.5E441 G448E441-R446 PolarHBondContact O-N 3.09Å; R446-G448 PolarHBondContact O-N 3.49Å
447Q61.1Low76.1Confident113 Ų11373.6 Ų73.653%0.52837%0.372SS..G310 helixtrans-70.44.5178.9-69.1-175.615.600114.3K443 F445 K449K443-Q447 WeakPolarHBondContact O-CG 3.25Å; K443-Q447 PolarHBondContact O-NE2 3.23Å; F445-Q447 PolarHBondContact O-N 2.88Å; Q447-K449 PolarHBondContact O-N 3.41Å; Q447-K449 VanDerWaalsContact O-N 3.1Å
448G57.3Low76.4Confident71 Ų7174.9 Ų74.973%0.73238%0.38SS*.  trans67.410.8176.800000114F445 R446 Q450F445-G448 PolarHBondContact O-N 3.38Å; R446-G448 PolarHBondContact O-N 3.49Å; G448-Q450 PolarHBondContact O-N 2.92Å
449K61.9Low76.7Confident147 Ų14772.3 Ų72.364%0.63937%0.366SS*.  trans-82.2113174.7-76.9-179.8177.6171.80108.8Q447 V451Q447-K449 PolarHBondContact O-N 3.41Å; Q447-K449 VanDerWaalsContact O-N 3.1Å; K449-V451 PolarHBondContact O-N 3.16Å; K449-V451 VanDerWaalsContact O-N 3.08Å
450Q64.8Low77.2Confident198 Ų19872.1 Ų72.193%0.92537%0.365SS*.  trans-61.1113.2165-77-167.5-2.200108.8G448G448-Q450 PolarHBondContact O-N 2.92Å
451V72.4Confident77.8Confident25 Ų2572.6 Ų72.615%0.15237%0.367CS..  trans-84.7129178.3-1720000107.9L424 F445 K449 I455 L456L424-V451 HydrophobicContact CD2-CB 4.2Å; L424-V451 HydrophobicContact CD2-CG1 3.54Å; L424-V451 HydrophobicContact CD2-CG2 3.65Å; F445-V451 HydrophobicContact CD1-CG2 4.46Å; F445-V451 HydrophobicContact CE1-CG2 4.36Å; K449-V451 PolarHBondContact O-N 3.16Å; K449-V451 VanDerWaalsContact O-N 3.08Å; V451-I455 HydrophobicContact CG1-CB 4.21Å; V451-I455 HydrophobicContact CG1-CG2 4.47Å; V451-L456 HydrophobicContact CB-CD1 4.13Å; V451-L456 HydrophobicContact CB-CD2 4.33Å; V451-L456 HydrophobicContact CB-CG 4.26Å; V451-L456 HydrophobicContact CG1-CD1 4.2Å; V451-L456 HydrophobicContact CG1-CD2 3.88Å; V451-L456 HydrophobicContact CG1-CG 3.79Å
452K78.9Confident78.2Confident146 Ų14669.7 Ų69.764%0.63535%0.354SS*.  trans-62.9138.9176.1-69.2-174.2177.9-176.80109.9D454 I455K452-D454 PolarHBondContact O-N 3.11Å; K452-I455 PolarHBondContact O-N 3.37Å; K452-I455 VanDerWaalsContact O-N 3.12Å
453P77.1Confident78.8Confident59 Ų5967.5 Ų67.538%0.38334%0.336SS..Hα-helixtrans-55.5-38.1179.419.5-29.8000111.6I455 L456 E457P453-I455 PolarHBondContact O-N 3.16Å; P453-L456 CarbonylContact O-C 3.47Å; P453-L456 WeakPolarHBondContact O-CA 2.89Å; P453-L456 PolarHBondContact O-N 3.31Å; P453-E457 WeakPolarHBondContact O-CG 3.17Å; P453-E457 PolarHBondContact O-N 3.09Å
454D81.7Confident79.7Confident115 Ų11562.5 Ų62.562%0.61531%0.314SS*.Hα-helixtrans-51.5-29.7179-52.5-18.5000114.7K452 P458K452-D454 PolarHBondContact O-N 3.11Å; D454-P458 WeakPolarHBondContact O-CD 3.3Å
455I84Confident80.4Confident60 Ų6063.3 Ų63.331%0.30832%0.318SS..Hα-helixtrans-83.8-34.1176.9-57.6173000110.8D425 V451 K452 P453 P458 I459D425-I455 HydrophobicContact CB-CG2 4.06Å; V451-I455 HydrophobicContact CG1-CB 4.21Å; V451-I455 HydrophobicContact CG1-CG2 4.47Å; K452-I455 PolarHBondContact O-N 3.37Å; K452-I455 VanDerWaalsContact O-N 3.12Å; P453-I455 PolarHBondContact O-N 3.16Å; I455-P458 WeakPolarHBondContact O-CD 3.44Å; I455-I459 WeakPolarHBondContact O-CD1 3.08Å; I455-I459 WeakPolarHBondContact O-CG1 3.37Å
456L86.4Confident80.9Confident0 Ų068.1 Ų68.10%034%0.336CS..Hα-helixtrans-78.1-32.1-178-62.2170.4000112.3L428 F445 V451 P453 I459 M460 L475 V480L428-L456 HydrophobicContact CD1-CD2 4.07Å; F445-L456 HydrophobicContact CE1-CD2 4.08Å; F445-L456 HydrophobicContact CZ-CD2 4.28Å; V451-L456 HydrophobicContact CB-CD1 4.13Å; V451-L456 HydrophobicContact CB-CD2 4.33Å; V451-L456 HydrophobicContact CB-CG 4.26Å; V451-L456 HydrophobicContact CG1-CD1 4.2Å; V451-L456 HydrophobicContact CG1-CD2 3.88Å; V451-L456 HydrophobicContact CG1-CG 3.79Å; P453-L456 CarbonylContact O-C 3.47Å; P453-L456 WeakPolarHBondContact O-CA 2.89Å; P453-L456 PolarHBondContact O-N 3.31Å; L456-I459 PolarHBondContact O-N 2.89Å; L456-M460 WeakPolarHBondContact O-CB 2.92Å; L456-M460 PolarHBondContact O-N 3.42Å; L456-L475 HydrophobicContact CD2-CD2 3.66Å; L456-V480 HydrophobicContact CB-CG2 3.54Å; L456-V480 HydrophobicContact CD1-CG2 3.98Å; L456-V480 HydrophobicContact CG-CG2 4.37Å
457E88.6Confident81.8Confident36 Ų3661.5 Ų61.517%0.16832%0.316CS..Hα-helixtrans-61.8-45.9-176.2-60.8-171.912700113.9P453 I459 M460 M461 F485 R490P453-E457 WeakPolarHBondContact O-CG 3.17Å; P453-E457 PolarHBondContact O-N 3.09Å; E457-I459 PolarHBondContact O-N 3.45Å; E457-M460 WeakPolarHBondContact O-CB 3.41Å; E457-M460 PolarHBondContact O-N 3.25Å; E457-M461 PolarHBondContact O-N 3.04Å; E457-F485 HydrophobicContact CB-CD2 3.85Å; E457-F485 HydrophobicContact CB-CE2 4.06Å; E457-F485 HydrophobicContact CG-CD2 3.88Å; E457-F485 WeakPolarHBondContact O-CE2 3.45Å; E457-R490 VanDerWaalsContact CD-NH2 3.34Å; E457-R490 IonicContact OE1-CZ 2.96Å; E457-R490 IonicContact OE1-NH1 3.74Å; E457-R490 PolarHBondContact OE1-NH1 3.46Å; E457-R490 IonicContact OE1-NH2 3.86Å; E457-R490 IonicContact OE2-CZ 2.7Å; E457-R490 IonicContact OE2-NH1 3.25Å; E457-R490 PolarHBondContact OE2-NH1 3.11Å; E457-R490 IonicContact OE2-NH2 3.98Å; E457-R490 PolarHBondContact OE2-NH2 3.46Å
458P90Very high83.2Confident55 Ų5558.5 Ų58.536%0.35730%0.301SS..Hα-helixtrans-60.3-37175.4-22.333.5000112.4D454 I455 M461 E462D454-P458 WeakPolarHBondContact O-CD 3.3Å; I455-P458 WeakPolarHBondContact O-CD 3.44Å; P458-M461 PolarHBondContact O-N 2.95Å; P458-E462 PolarHBondContact O-N 3.34Å
459I88.7Confident84.8Confident0 Ų056.1 Ų56.10%027%0.273CS..Hα-helixtrans-72.5-37.8-179.6-53.8-177.5000110.2L428 L432 I455 L456 E457 E462 A463 L475L428-I459 HydrophobicContact CB-CD1 3.35Å; L428-I459 HydrophobicContact CD1-CD1 3.75Å; L428-I459 HydrophobicContact CG-CD1 4.2Å; L432-I459 HydrophobicContact CD2-CG2 4.06Å; I455-I459 WeakPolarHBondContact O-CD1 3.08Å; I455-I459 WeakPolarHBondContact O-CG1 3.37Å; L456-I459 PolarHBondContact O-N 2.89Å; E457-I459 PolarHBondContact O-N 3.45Å; I459-E462 PolarHBondContact O-N 3.35Å; I459-A463 WeakPolarHBondContact O-CB 3.15Å; I459-A463 PolarHBondContact O-N 3.25Å; I459-L475 HydrophobicContact CG2-CD1 4.19Å
460M92.2Very high86.2Confident0 Ų052.4 Ų52.40%026%0.26CS..Hα-helixtrans-60.4-45.7171.8-179.962.985.600111L456 E457 E462 A463 L464 V472 L475 L476 V480 M482 F485L456-M460 WeakPolarHBondContact O-CB 2.92Å; L456-M460 PolarHBondContact O-N 3.42Å; E457-M460 WeakPolarHBondContact O-CB 3.41Å; E457-M460 PolarHBondContact O-N 3.25Å; M460-E462 VanDerWaalsContact C-N 3.31Å; M460-E462 PolarHBondContact O-N 3.3Å; M460-A463 PolarHBondContact O-N 3Å; M460-L464 HydrophobicContact CG-CD1 4.23Å; M460-L464 WeakPolarHBondContact O-CB 3.42Å; M460-L464 VanDerWaalsContact O-CG 3.27Å; M460-L464 WeakPolarHBondContact O-CG 3.42Å; M460-L464 PolarHBondContact O-N 3.33Å; M460-L464 HydrophobicContact SD-CG 4.38Å; M460-V472 HydrophobicContact CE-CG1 4.33Å; M460-V472 HydrophobicContact SD-CB 4.22Å; M460-V472 HydrophobicContact SD-CG1 3.88Å; M460-V472 HydrophobicContact SD-CG2 4Å; M460-L475 HydrophobicContact CB-CD1 4.21Å; M460-L475 HydrophobicContact CE-CB 3.46Å; M460-L475 VanDerWaalsContact CE-CB 3.46Å; M460-L475 HydrophobicContact CE-CD1 4.29Å; M460-L475 HydrophobicContact SD-CB 4.4Å; M460-L475 HydrophobicContact SD-CD1 4.19Å; M460-L476 HydrophobicContact CE-CD2 4.03Å; M460-L476 HydrophobicContact CE-CG 3.79Å; M460-V480 HydrophobicContact CE-CB 3.93Å; M460-V480 HydrophobicContact CE-CG1 3.79Å; M460-V480 HydrophobicContact CE-CG2 4.13Å; M460-V480 HydrophobicContact CG-CG1 4.43Å; M460-M482 HydrophobicContact CG-CE 4.21Å; M460-M482 HydrophobicContact SD-CE 4.36Å; M460-F485 HydrophobicContact CB-CD2 4.41Å; M460-F485 HydrophobicContact CB-CE2 3.78Å; M460-F485 HydrophobicContact CB-CZ 3.93Å; M460-F485 HydrophobicContact CG-CD1 4.38Å; M460-F485 HydrophobicContact CG-CD2 4.27Å; M460-F485 HydrophobicContact CG-CE1 3.84Å; M460-F485 HydrophobicContact CG-CE2 3.74Å; M460-F485 HydrophobicContact CG-CZ 3.47Å; M460-F485 VanDerWaalsContact CG-CZ 3.47Å
461M92.7Very high87.3Confident9 Ų943 Ų434%0.04422%0.216CC..Hα-helixtrans-58.5-44174.9-80.6-61.4-60.100111.9E457 P458 L464 L465 F485 R490 R493 L494E457-M461 PolarHBondContact O-N 3.04Å; P458-M461 PolarHBondContact O-N 2.95Å; M461-L464 PolarHBondContact O-N 3.37Å; M461-L465 VanDerWaalsContact O-CG 3.29Å; M461-L465 WeakPolarHBondContact O-CG 3.3Å; M461-L465 PolarHBondContact O-N 3.47Å; M461-F485 HydrophobicContact CB-CZ 4.49Å; M461-F485 HydrophobicContact CG-CE2 3.81Å; M461-F485 HydrophobicContact CG-CZ 3.61Å; M461-F485 HydrophobicContact SD-CE1 4.24Å; M461-F485 HydrophobicContact SD-CE2 4.22Å; M461-F485 HydrophobicContact SD-CZ 3.5Å; M461-F485 WeakPolarHBondContact SD-CZ 3.21Å; M461-R490 HydrophobicContact CE-CB 4.37Å; M461-R490 HydrophobicContact CE-CG 4.47Å; M461-R490 HydrophobicContact CG-CG 4.39Å; M461-R490 HydrophobicContact SD-CB 3.82Å; M461-R490 HydrophobicContact SD-CG 3.84Å; M461-R493 HydrophobicContact CE-CB 4.31Å; M461-R493 HydrophobicContact CE-CG 4.29Å; M461-L494 HydrophobicContact CE-CD2 3.75Å; M461-L494 HydrophobicContact CE-CG 3.84Å; M461-L494 HydrophobicContact SD-CD2 4.24Å; M461-L494 HydrophobicContact SD-CG 4.27Å
462E90Very high88.2Confident39 Ų3941.8 Ų41.818%0.18221%0.208CC..Hα-helixtrans-68.6-38.8179.6-167.5166.3-177.300112.2R429 L432 P458 I459 M460 L465 R466R429-E462 IonicContact NH1-OE2 3.88Å; R429-E462 PolarHBondContact NH1-OE2 3.03Å; R429-E462 VanDerWaalsContact NH1-OE2 3.14Å; L432-E462 HydrophobicContact CD2-CB 3.77Å; L432-E462 HydrophobicContact CD2-CG 3.78Å; P458-E462 PolarHBondContact O-N 3.34Å; I459-E462 PolarHBondContact O-N 3.35Å; M460-E462 VanDerWaalsContact C-N 3.31Å; M460-E462 PolarHBondContact O-N 3.3Å; E462-L465 PolarHBondContact O-N 3.47Å; E462-R466 HydrophobicContact CG-CG 4.45Å; E462-R466 WeakPolarHBondContact O-CB 3.38Å; E462-R466 WeakPolarHBondContact O-CG 3.38Å; E462-R466 PolarHBondContact O-N 3.2Å; E462-R466 IonicContact OE1-CZ 2.69Å; E462-R466 VanDerWaalsContact OE1-CZ 3.29Å; E462-R466 IonicContact OE1-NE 2.71Å; E462-R466 PolarHBondContact OE1-NE 3.37Å; E462-R466 IonicContact OE1-NH2 3.62Å; E462-R466 PolarHBondContact OE1-NH2 2.98Å
463A91.5Very high88.8Confident0 Ų039.8 Ų39.80%020%0.197CC..Hα-helixtrans-63.8-42175.500000112.1L432 I459 M460 N467 K468 F471 V472 L475L432-A463 HydrophobicContact CD1-CB 3.65Å; L432-A463 HydrophobicContact CD2-CB 4.28Å; I459-A463 WeakPolarHBondContact O-CB 3.15Å; I459-A463 PolarHBondContact O-N 3.25Å; M460-A463 PolarHBondContact O-N 3Å; A463-N467 PolarHBondContact O-N 3.49Å; A463-K468 PolarHBondContact O-N 3.13Å; A463-F471 HydrophobicContact CB-CB 4.19Å; A463-V472 HydrophobicContact CB-CG2 4.01Å; A463-L475 HydrophobicContact CB-CD1 4.29Å
464L92.5Very high89.3Confident0 Ų037.3 Ų37.30%018%0.18CC..Hα-helixtrans-59.6-56.6171.3-70.4171.4000109.6M460 M461 R466 N467 V472 M482 F485 L494 L600 W603 R609 M612 F616M460-L464 HydrophobicContact CG-CD1 4.23Å; M460-L464 WeakPolarHBondContact O-CB 3.42Å; M460-L464 VanDerWaalsContact O-CG 3.27Å; M460-L464 WeakPolarHBondContact O-CG 3.42Å; M460-L464 PolarHBondContact O-N 3.33Å; M460-L464 HydrophobicContact SD-CG 4.38Å; M461-L464 PolarHBondContact O-N 3.37Å; L464-R466 VanDerWaalsContact C-N 3.3Å; L464-R466 PolarHBondContact O-N 2.97Å; L464-N467 PolarHBondContact O-N 3.37Å; L464-V472 HydrophobicContact CD2-CG1 4.4Å; L464-V472 HydrophobicContact CD2-CG2 3.87Å; L464-V472 HydrophobicContact CG-CG2 4.26Å; L464-M482 HydrophobicContact CD1-CE 4.06Å; L464-F485 HydrophobicContact CD1-CE1 3.75Å; L464-F485 HydrophobicContact CD1-CZ 3.97Å; L464-L494 HydrophobicContact CB-CD2 3.79Å; L464-L494 HydrophobicContact CD1-CD1 4.11Å; L464-L494 HydrophobicContact CD1-CD2 4.27Å; L464-L600 HydrophobicContact CD1-CD2 4.24Å; L464-W603 HydrophobicContact CB-CH2 4.04Å; L464-W603 HydrophobicContact CB-CZ3 4.49Å; L464-W603 HydrophobicContact CD2-CZ3 4.17Å; L464-W603 WeakPolarHBondContact O-CH2 3.43Å; L464-R609 PolarHBondContact O-NH1 3.28Å; L464-M612 HydrophobicContact CD2-SD 4.04Å; L464-F616 HydrophobicContact CD2-CE2 4.27Å; L464-F616 HydrophobicContact CD2-CZ 3.6Å
465L90.6Very high89.6Confident25 Ų2531.9 Ų31.913%0.13115%0.151CC..Hα-helixtrans-56.3-41.2-177.1-71.8171.7000113.2M461 E462 N467 L494 E497 R609M461-L465 VanDerWaalsContact O-CG 3.29Å; M461-L465 WeakPolarHBondContact O-CG 3.3Å; M461-L465 PolarHBondContact O-N 3.47Å; E462-L465 PolarHBondContact O-N 3.47Å; L465-N467 VanDerWaalsContact C-N 3.29Å; L465-N467 PolarHBondContact O-N 3.48Å; L465-L494 HydrophobicContact CD2-CD2 3.9Å; L465-L494 HydrophobicContact CG-CD2 4.1Å; L465-E497 HydrophobicContact CD1-CB 4.16Å; L465-E497 HydrophobicContact CD2-CB 3.72Å; L465-R609 PolarHBondContact O-NH1 3.04Å; L465-R609 PolarHBondContact O-NH2 3.05Å
466R86.9Confident89.8Confident123 Ų12330.2 Ų30.246%0.46414%0.143SC..THydrogen-bonded Turntrans-81.33.5179.7-65.6-179.9-176-112.55.9114.9E462 L464 K468E462-R466 HydrophobicContact CG-CG 4.45Å; E462-R466 WeakPolarHBondContact O-CB 3.38Å; E462-R466 WeakPolarHBondContact O-CG 3.38Å; E462-R466 PolarHBondContact O-N 3.2Å; E462-R466 IonicContact OE1-CZ 2.69Å; E462-R466 VanDerWaalsContact OE1-CZ 3.29Å; E462-R466 IonicContact OE1-NE 2.71Å; E462-R466 PolarHBondContact OE1-NE 3.37Å; E462-R466 IonicContact OE1-NH2 3.62Å; E462-R466 PolarHBondContact OE1-NH2 2.98Å; L464-R466 VanDerWaalsContact C-N 3.3Å; L464-R466 PolarHBondContact O-N 2.97Å; R466-K468 HydrophobicContact CB-CG 4.03Å; R466-K468 PolarHBondContact O-N 3.07Å
467N89.2Confident89.8Confident70 Ų7035.8 Ų35.837%0.37417%0.169SC..THydrogen-bonded Turntrans58.342.4-179.6-166.832.9000113.6A463 L464 L465A463-N467 PolarHBondContact O-N 3.49Å; L464-N467 PolarHBondContact O-N 3.37Å; L465-N467 VanDerWaalsContact C-N 3.29Å; L465-N467 PolarHBondContact O-N 3.48Å
468K90Very high89.6Confident51 Ų5136.9 Ų36.922%0.22218%0.176CC..  trans-98.885.9179.1-57.8-48.7-156.8175.50111.3L432 D435 A463 R466 D470 F471 V472L432-K468 HydrophobicContact CD1-CB 4.16Å; L432-K468 HydrophobicContact CD1-CG 4.15Å; D435-K468 HydrophobicContact CB-CD 4.5Å; D435-K468 WeakPolarHBondContact OD1-CD 3.43Å; D435-K468 WeakPolarHBondContact OD1-CE 3.45Å; D435-K468 IonicContact OD1-NZ 3.92Å; D435-K468 PolarHBondContact OD1-NZ 3.35Å; D435-K468 WeakPolarHBondContact OD2-CE 3.47Å; D435-K468 IonicContact OD2-NZ 3.06Å; D435-K468 PolarHBondContact OD2-NZ 3.08Å; A463-K468 PolarHBondContact O-N 3.13Å; R466-K468 HydrophobicContact CB-CG 4.03Å; R466-K468 PolarHBondContact O-N 3.07Å; K468-D470 PolarHBondContact O-N 3.18Å; K468-F471 HydrophobicContact CB-CB 4.11Å; K468-F471 PolarHBondContact O-N 2.97Å; K468-V472 WeakPolarHBondContact O-CG2 3.44Å; K468-V472 PolarHBondContact O-N 3.03Å
469T90.8Very high89.1Confident21 Ų2136.3 Ų36.313%0.12918%0.18CC..Hα-helixtrans-62.4-41.6-173.247.90000113.9F471 V472 R473 K611 M612T469-F471 VanDerWaalsContact C-N 3.35Å; T469-F471 PolarHBondContact O-N 3.34Å; T469-V472 WeakPolarHBondContact O-CB 3.43Å; T469-V472 PolarHBondContact O-N 3.32Å; T469-R473 PolarHBondContact O-N 2.8Å; T469-K611 HydrophobicContact CG2-CB 4.13Å; T469-M612 HydrophobicContact CG2-CB 3.58Å; T469-M612 HydrophobicContact CG2-CE 3.71Å; T469-M612 HydrophobicContact CG2-CG 4.05Å
470D90.2Very high88.9Confident68 Ų6836.7 Ų36.736%0.36418%0.183SC..Hα-helixtrans-71.1-33.9-176-58.2-54.1000111.8C437 K468 R473 I474C437-D470 HydrophobicContact CB-CB 4.38Å; K468-D470 PolarHBondContact O-N 3.18Å; D470-R473 WeakPolarHBondContact O-CB 3.44Å; D470-R473 PolarHBondContact O-N 3.41Å; D470-R473 IonicContact OD1-NH1 3.68Å; D470-I474 PolarHBondContact O-N 2.93Å
471F89.4Confident88.7Confident0 Ų040.5 Ų40.50%021%0.206CC..Hα-helixtrans-63.8-43.4170.1-103.2-81.7000112.4A431 L432 C437 A440 A463 K468 T469 R473 I474 L475A431-F471 HydrophobicContact CB-CE1 4.37Å; A431-F471 HydrophobicContact CB-CZ 3.78Å; A431-F471 WeakPolarHBondContact O-CE2 2.9Å; A431-F471 WeakPolarHBondContact O-CZ 3.26Å; L432-F471 HydrophobicContact CB-CD1 4.49Å; L432-F471 HydrophobicContact CB-CE1 4.26Å; L432-F471 HydrophobicContact CB-CZ 4.34Å; L432-F471 HydrophobicContact CD1-CB 3.78Å; L432-F471 HydrophobicContact CD1-CD1 3.81Å; L432-F471 HydrophobicContact CD1-CD2 3.8Å; L432-F471 HydrophobicContact CD1-CE1 4.36Å; L432-F471 HydrophobicContact CD1-CE2 4.35Å; L432-F471 HydrophobicContact CD1-CG 3.5Å; C437-F471 VanDerWaalsContact CA-CE2 3.4Å; C437-F471 HydrophobicContact CB-CD2 3.61Å; C437-F471 HydrophobicContact CB-CE2 3.61Å; C437-F471 HydrophobicContact CB-CG 4.2Å; C437-F471 HydrophobicContact CB-CZ 4.19Å; A440-F471 HydrophobicContact CB-CE1 3.98Å; A440-F471 HydrophobicContact CB-CZ 4.11Å; A463-F471 HydrophobicContact CB-CB 4.19Å; K468-F471 HydrophobicContact CB-CB 4.11Å; K468-F471 PolarHBondContact O-N 2.97Å; T469-F471 VanDerWaalsContact C-N 3.35Å; T469-F471 PolarHBondContact O-N 3.34Å; F471-R473 VanDerWaalsContact C-N 3.25Å; F471-R473 PolarHBondContact O-N 3.49Å; F471-I474 PolarHBondContact O-N 3.34Å; F471-L475 WeakPolarHBondContact O-CB 3.46Å; F471-L475 WeakPolarHBondContact O-CG 3.45Å; F471-L475 PolarHBondContact O-N 3.15Å
472V91.3Very high88.6Confident0 Ų040.3 Ų40.30%021%0.205CC..Hα-helixtrans-58.5-41.8175.6172.60000110.4M460 A463 L464 K468 T469 L475 L476 M612 Y615 F616M460-V472 HydrophobicContact CE-CG1 4.33Å; M460-V472 HydrophobicContact SD-CB 4.22Å; M460-V472 HydrophobicContact SD-CG1 3.88Å; M460-V472 HydrophobicContact SD-CG2 4Å; A463-V472 HydrophobicContact CB-CG2 4.01Å; L464-V472 HydrophobicContact CD2-CG1 4.4Å; L464-V472 HydrophobicContact CD2-CG2 3.87Å; L464-V472 HydrophobicContact CG-CG2 4.26Å; K468-V472 WeakPolarHBondContact O-CG2 3.44Å; K468-V472 PolarHBondContact O-N 3.03Å; T469-V472 WeakPolarHBondContact O-CB 3.43Å; T469-V472 PolarHBondContact O-N 3.32Å; V472-L475 PolarHBondContact O-N 2.57Å; V472-L476 HydrophobicContact CG1-CD1 4.07Å; V472-L476 WeakPolarHBondContact O-CG 3.21Å; V472-L476 PolarHBondContact O-N 3.48Å; V472-M612 HydrophobicContact CG2-CE 4.17Å; V472-Y615 HydrophobicContact CG1-CE1 4.17Å; V472-F616 HydrophobicContact CG1-CE1 3.97Å; V472-F616 HydrophobicContact CG1-CZ 4.22Å
473R90.9Very high88.4Confident105 Ų10545.6 Ų45.640%0.39622%0.223SC..Hα-helixtrans-60.2-50.7176.6-178.4-172.9-61.9167.4-0.1112.2T469 D470 F471 L475 L476 Q477 Y615T469-R473 PolarHBondContact O-N 2.8Å; D470-R473 WeakPolarHBondContact O-CB 3.44Å; D470-R473 PolarHBondContact O-N 3.41Å; D470-R473 IonicContact OD1-NH1 3.68Å; F471-R473 VanDerWaalsContact C-N 3.25Å; F471-R473 PolarHBondContact O-N 3.49Å; R473-L475 VanDerWaalsContact C-N 3.34Å; R473-L475 PolarHBondContact O-N 2.9Å; R473-L476 PolarHBondContact O-N 3.44Å; R473-Q477 WeakPolarHBondContact O-CG 3.25Å; R473-Q477 PolarHBondContact O-N 3.2Å; R473-Y615 WeakPolarHBondContact CA-OH 3.49Å; R473-Y615 HydrophobicContact CB-CE2 3.96Å; R473-Y615 HydrophobicContact CG-CE2 3.84Å
474I87.3Confident88.2Confident7 Ų751.9 Ų51.94%0.03625%0.252CS..Hα-helixtrans-64.5-40.1-179.2-72.8163.8000111C437 E441 F445 D470 F471 L476 Q477 N478C437-I474 HydrophobicContact CB-CD1 3.53Å; E441-I474 HydrophobicContact CB-CD1 4.17Å; F445-I474 HydrophobicContact CD2-CG2 3.65Å; F445-I474 HydrophobicContact CE2-CG2 3.45Å; F445-I474 VanDerWaalsContact CE2-CG2 3.45Å; F445-I474 HydrophobicContact CZ-CG2 4.38Å; D470-I474 PolarHBondContact O-N 2.93Å; F471-I474 PolarHBondContact O-N 3.34Å; I474-L476 PolarHBondContact O-N 3.23Å; I474-Q477 PolarHBondContact O-N 3.48Å; I474-N478 WeakPolarHBondContact CG2-ND2 3.47Å; I474-N478 WeakPolarHBondContact O-CB 3.36Å; I474-N478 PolarHBondContact O-N 3.29Å; I474-N478 VanDerWaalsContact O-N 3.08Å; I474-N478 PolarHBondContact O-ND2 3.16Å
475L88.5Confident88Confident0 Ų051.9 Ų51.90%025%0.253CS..Hα-helixtrans-65.3-39178.3-70.1170.5000112.3F445 L456 I459 M460 A463 F471 V472 R473 N478 G479 V480F445-L475 HydrophobicContact CZ-CD2 4.1Å; L456-L475 HydrophobicContact CD2-CD2 3.66Å; I459-L475 HydrophobicContact CG2-CD1 4.19Å; M460-L475 HydrophobicContact CB-CD1 4.21Å; M460-L475 HydrophobicContact CE-CB 3.46Å; M460-L475 VanDerWaalsContact CE-CB 3.46Å; M460-L475 HydrophobicContact CE-CD1 4.29Å; M460-L475 HydrophobicContact SD-CB 4.4Å; M460-L475 HydrophobicContact SD-CD1 4.19Å; A463-L475 HydrophobicContact CB-CD1 4.29Å; F471-L475 WeakPolarHBondContact O-CB 3.46Å; F471-L475 WeakPolarHBondContact O-CG 3.45Å; F471-L475 PolarHBondContact O-N 3.15Å; V472-L475 PolarHBondContact O-N 2.57Å; R473-L475 VanDerWaalsContact C-N 3.34Å; R473-L475 PolarHBondContact O-N 2.9Å; L475-N478 PolarHBondContact O-N 3.37Å; L475-G479 PolarHBondContact O-N 2.94Å; L475-V480 HydrophobicContact CB-CG2 4.3Å; L475-V480 WeakPolarHBondContact O-CG2 3.21Å; L475-V480 PolarHBondContact O-N 2.86Å
476L88.6Confident88Confident25 Ų2550.7 Ų50.713%0.13125%0.246CC..Hα-helixtrans-65.4-41.5174.3-75.1169.1000112.1M460 V472 R473 I474 N478 G479 V480 M482 F597 Y615M460-L476 HydrophobicContact CE-CD2 4.03Å; M460-L476 HydrophobicContact CE-CG 3.79Å; V472-L476 HydrophobicContact CG1-CD1 4.07Å; V472-L476 WeakPolarHBondContact O-CG 3.21Å; V472-L476 PolarHBondContact O-N 3.48Å; R473-L476 PolarHBondContact O-N 3.44Å; I474-L476 PolarHBondContact O-N 3.23Å; L476-N478 PolarHBondContact O-N 3.44Å; L476-G479 PolarHBondContact O-N 3.16Å; L476-V480 HydrophobicContact CD2-CB 4.4Å; L476-V480 HydrophobicContact CD2-CG1 4.44Å; L476-V480 WeakPolarHBondContact CD2-O 3.36Å; L476-M482 HydrophobicContact CD2-CB 4.34Å; L476-M482 HydrophobicContact CD2-CG 4.47Å; L476-M482 HydrophobicContact CD2-SD 3.82Å; L476-F597 HydrophobicContact CD1-CE1 4.26Å; L476-Y615 HydrophobicContact CD1-CE1 3.63Å; L476-Y615 WeakPolarHBondContact CD1-OH 3.09Å
477Q86.2Confident88.2Confident117 Ų11746 Ų4655%0.54723%0.231SC..Hα-helixtrans-63.9-29.2176.8-73.3172.1-21.500112.8R473 I474R473-Q477 WeakPolarHBondContact O-CG 3.25Å; R473-Q477 PolarHBondContact O-N 3.2Å; I474-Q477 PolarHBondContact O-N 3.48Å
478N83.5Confident88Confident59 Ų5942.7 Ų42.732%0.31621%0.213SC..THydrogen-bonded Turntrans-97.916.3-176.1-71.8-70.5000114.6F445 I474 L475 L476F445-N478 HydrophobicContact CD1-CB 3.77Å; F445-N478 HydrophobicContact CE1-CB 3.84Å; F445-N478 HydrophobicContact CG-CB 4.31Å; F445-N478 HydrophobicContact CZ-CB 4.43Å; I474-N478 WeakPolarHBondContact CG2-ND2 3.47Å; I474-N478 WeakPolarHBondContact O-CB 3.36Å; I474-N478 PolarHBondContact O-N 3.29Å; I474-N478 VanDerWaalsContact O-N 3.08Å; I474-N478 PolarHBondContact O-ND2 3.16Å; L475-N478 PolarHBondContact O-N 3.37Å; L476-N478 PolarHBondContact O-N 3.44Å
479G80.5Confident87.9Confident44 Ų4444.7 Ų44.745%0.45422%0.223SC..THydrogen-bonded Turntrans117.78.3164.300000117.1L475 L476 V481L475-G479 PolarHBondContact O-N 2.94Å; L476-G479 PolarHBondContact O-N 3.16Å; G479-V481 PolarHBondContact O-N 3.49Å
480V85.2Confident87.9Confident8 Ų846.1 Ų46.15%0.04823%0.227CC..  trans-76.7115170.8179.60000110.1L456 M460 L475 L476 M482 F485L456-V480 HydrophobicContact CB-CG2 3.54Å; L456-V480 HydrophobicContact CD1-CG2 3.98Å; L456-V480 HydrophobicContact CG-CG2 4.37Å; M460-V480 HydrophobicContact CE-CB 3.93Å; M460-V480 HydrophobicContact CE-CG1 3.79Å; M460-V480 HydrophobicContact CE-CG2 4.13Å; M460-V480 HydrophobicContact CG-CG1 4.43Å; L475-V480 HydrophobicContact CB-CG2 4.3Å; L475-V480 WeakPolarHBondContact O-CG2 3.21Å; L475-V480 PolarHBondContact O-N 2.86Å; L476-V480 HydrophobicContact CD2-CB 4.4Å; L476-V480 HydrophobicContact CD2-CG1 4.44Å; L476-V480 WeakPolarHBondContact CD2-O 3.36Å; V480-M482 HydrophobicContact CG1-SD 4.29Å; V480-F485 HydrophobicContact CG1-CB 4.1Å; V480-F485 HydrophobicContact CG1-CD2 4.47Å; V480-F485 HydrophobicContact CG1-CG 4.29Å
481V88Confident87.9Confident79 Ų7942.9 Ų42.948%0.47921%0.209SC..  trans-91.2109.6175.6-178.70000109.8G479 R483 Q484 F485G479-V481 PolarHBondContact O-N 3.49Å; V481-R483 HydrophobicContact CG1-CB 4.34Å; V481-R483 PolarHBondContact O-N 2.99Å; V481-R483 VanDerWaalsContact O-N 3.13Å; V481-Q484 HydrophobicContact CG1-CG 4.31Å; V481-Q484 PolarHBondContact O-N 2.73Å; V481-F485 PolarHBondContact O-N 3.44Å
482M89.4Confident87.8Confident6 Ų643.8 Ų43.83%0.0321%0.213CC..Hα-helixtrans-63.6-26.4-170.8-139.457.3176.900114.5M460 L464 L476 V480 Q484 F485 L486 P596 F597 L600M460-M482 HydrophobicContact CG-CE 4.21Å; M460-M482 HydrophobicContact SD-CE 4.36Å; L464-M482 HydrophobicContact CD1-CE 4.06Å; L476-M482 HydrophobicContact CD2-CB 4.34Å; L476-M482 HydrophobicContact CD2-CG 4.47Å; L476-M482 HydrophobicContact CD2-SD 3.82Å; V480-M482 HydrophobicContact CG1-SD 4.29Å; M482-Q484 VanDerWaalsContact C-N 3.32Å; M482-Q484 PolarHBondContact O-N 3Å; M482-F485 HydrophobicContact CE-CD1 3.28Å; M482-F485 HydrophobicContact CE-CE1 3.36Å; M482-F485 HydrophobicContact CE-CG 4.33Å; M482-F485 HydrophobicContact CE-CZ 4.47Å; M482-F485 HydrophobicContact CG-CD1 4.47Å; M482-F485 PolarHBondContact O-N 3.37Å; M482-F485 HydrophobicContact SD-CB 4.15Å; M482-F485 HydrophobicContact SD-CD1 3.44Å; M482-F485 WeakPolarHBondContact SD-CD1 3.4Å; M482-F485 HydrophobicContact SD-CE1 4.14Å; M482-F485 HydrophobicContact SD-CG 4.03Å; M482-L486 WeakPolarHBondContact O-CB 3.24Å; M482-L486 PolarHBondContact O-N 3.38Å; M482-P596 HydrophobicContact CB-CB 4.37Å; M482-P596 HydrophobicContact CB-CG 4.16Å; M482-P596 HydrophobicContact CG-CB 4.34Å; M482-F597 HydrophobicContact CB-CE1 3.99Å; M482-F597 HydrophobicContact CB-CE2 4.21Å; M482-F597 HydrophobicContact CB-CZ 3.71Å; M482-F597 HydrophobicContact CG-CD1 4.49Å; M482-F597 HydrophobicContact CG-CE1 4Å; M482-F597 HydrophobicContact CG-CZ 4.24Å; M482-L600 HydrophobicContact CE-CD1 3.3Å; M482-L600 HydrophobicContact CG-CD1 3.85Å; M482-L600 HydrophobicContact SD-CD1 4.4Å
483R86.6Confident87.6Confident149 Ų14949.2 Ų49.256%0.56223%0.234SC*.Hα-helixtrans-68.2-30.2176.5-162.6172.9-176.2176.9-0.2113.2V481 T592 P596V481-R483 HydrophobicContact CG1-CB 4.34Å; V481-R483 PolarHBondContact O-N 2.99Å; V481-R483 VanDerWaalsContact O-N 3.13Å; R483-T592 WeakPolarHBondContact O-CB 3.37Å; R483-T592 WeakPolarHBondContact O-CG2 3.49Å; R483-P596 HydrophobicContact CB-CG 4.38Å
484Q86Confident87.6Confident132 Ų13244.2 Ų44.262%0.61722%0.215SC*.Hα-helixtrans-88.4-36.9174.4-65178.3-1.800110.9V481 M482V481-Q484 HydrophobicContact CG1-CG 4.31Å; V481-Q484 PolarHBondContact O-N 2.73Å; M482-Q484 VanDerWaalsContact C-N 3.32Å; M482-Q484 PolarHBondContact O-N 3Å
485F90Very high87.6Confident1 Ų143.9 Ų43.90%0.00421%0.213CC..Hα-helixtrans-66.9-45.8-178168.8-96.1000113.2E457 M460 M461 L464 V480 V481 M482 T487 R490E457-F485 HydrophobicContact CB-CD2 3.85Å; E457-F485 HydrophobicContact CB-CE2 4.06Å; E457-F485 HydrophobicContact CG-CD2 3.88Å; E457-F485 WeakPolarHBondContact O-CE2 3.45Å; M460-F485 HydrophobicContact CB-CD2 4.41Å; M460-F485 HydrophobicContact CB-CE2 3.78Å; M460-F485 HydrophobicContact CB-CZ 3.93Å; M460-F485 HydrophobicContact CG-CD1 4.38Å; M460-F485 HydrophobicContact CG-CD2 4.27Å; M460-F485 HydrophobicContact CG-CE1 3.84Å; M460-F485 HydrophobicContact CG-CE2 3.74Å; M460-F485 HydrophobicContact CG-CZ 3.47Å; M460-F485 VanDerWaalsContact CG-CZ 3.47Å; M461-F485 HydrophobicContact CB-CZ 4.49Å; M461-F485 HydrophobicContact CG-CE2 3.81Å; M461-F485 HydrophobicContact CG-CZ 3.61Å; M461-F485 HydrophobicContact SD-CE1 4.24Å; M461-F485 HydrophobicContact SD-CE2 4.22Å; M461-F485 HydrophobicContact SD-CZ 3.5Å; M461-F485 WeakPolarHBondContact SD-CZ 3.21Å; L464-F485 HydrophobicContact CD1-CE1 3.75Å; L464-F485 HydrophobicContact CD1-CZ 3.97Å; V480-F485 HydrophobicContact CG1-CB 4.1Å; V480-F485 HydrophobicContact CG1-CD2 4.47Å; V480-F485 HydrophobicContact CG1-CG 4.29Å; V481-F485 PolarHBondContact O-N 3.44Å; M482-F485 HydrophobicContact CE-CD1 3.28Å; M482-F485 HydrophobicContact CE-CE1 3.36Å; M482-F485 HydrophobicContact CE-CG 4.33Å; M482-F485 HydrophobicContact CE-CZ 4.47Å; M482-F485 HydrophobicContact CG-CD1 4.47Å; M482-F485 PolarHBondContact O-N 3.37Å; M482-F485 HydrophobicContact SD-CB 4.15Å; M482-F485 HydrophobicContact SD-CD1 3.44Å; M482-F485 WeakPolarHBondContact SD-CD1 3.4Å; M482-F485 HydrophobicContact SD-CE1 4.14Å; M482-F485 HydrophobicContact SD-CG 4.03Å; F485-T487 PolarHBondContact O-N 3.49Å; F485-R490 WeakPolarHBondContact O-CD 3.38Å; F485-R490 PolarHBondContact O-NH1 3.46Å
486L90.5Very high87.4Confident0 Ų045.4 Ų45.40%022%0.221CC..  trans-82.289.5-171.7-166.772.8000111.1M482 L491 L494 F593 P596 E599 L600M482-L486 WeakPolarHBondContact O-CB 3.24Å; M482-L486 PolarHBondContact O-N 3.38Å; L486-L491 HydrophobicContact CD1-CB 4.34Å; L486-L491 HydrophobicContact CD1-CD1 4.35Å; L486-L494 HydrophobicContact CD1-CD1 4.34Å; L486-F593 HydrophobicContact CD2-CD2 3.85Å; L486-F593 HydrophobicContact CD2-CE2 4.46Å; L486-F593 HydrophobicContact CD2-CG 4.45Å; L486-F593 HydrophobicContact CG-CD2 3.94Å; L486-F593 HydrophobicContact CG-CE2 4.34Å; L486-F593 WeakPolarHBondContact O-CD2 3.49Å; L486-P596 HydrophobicContact CB-CB 3.89Å; L486-P596 HydrophobicContact CD2-CB 3.7Å; L486-P596 WeakPolarHBondContact CD2-O 3.47Å; L486-P596 HydrophobicContact CG-CB 4.46Å; L486-E599 HydrophobicContact CD2-CB 3.94Å; L486-L600 HydrophobicContact CD1-CD1 4.47Å; L486-L600 HydrophobicContact CD1-CD2 3.84Å; L486-L600 HydrophobicContact CD1-CG 4.13Å; L486-L600 HydrophobicContact CD2-CD1 4.42Å; L486-L600 HydrophobicContact CD2-CG 4.04Å
487T89.5Confident87.2Confident24 Ų2448.5 Ų48.515%0.14724%0.235CC..BIsolated β-bridgetrans-89.6160.6170.865.90000111.6F485 E489 R490 L491 S589 L591 T592F485-T487 PolarHBondContact O-N 3.49Å; T487-E489 VanDerWaalsContact C-N 3.28Å; T487-E489 PolarHBondContact O-N 2.92Å; T487-R490 PolarHBondContact O-N 3.22Å; T487-R490 VanDerWaalsContact O-N 3.14Å; T487-R490 PolarHBondContact OG1-N 2.82Å; T487-L491 PolarHBondContact O-N 2.97Å; T487-S589 WeakPolarHBondContact CB-O 3.41Å; T487-L591 CarbonylContact C-O 3.49Å; T487-L591 WeakPolarHBondContact CA-O 3.02Å; T487-T592 HydrophobicContact CG2-CG2 4.39Å
488F86.5Confident86.8Confident0 Ų043.3 Ų43.30%021%0.212CC..Hα-helixtrans-52.1-44.8174.3178.3-95.4000112.8R490 L491 H492 L552 I570 D574 L578 W585 V588 L591 F593F488-R490 PolarHBondContact O-N 3.04Å; F488-L491 PolarHBondContact O-N 3.39Å; F488-H492 WeakPolarHBondContact O-CB 3.49Å; F488-H492 PolarHBondContact O-N 3.39Å; F488-L552 HydrophobicContact CD2-CD1 3.78Å; F488-L552 HydrophobicContact CE2-CD1 3.45Å; F488-L552 VanDerWaalsContact CE2-CD1 3.45Å; F488-L552 HydrophobicContact CG-CD1 4.48Å; F488-L552 HydrophobicContact CZ-CD1 3.91Å; F488-I570 HydrophobicContact CD2-CG2 3.68Å; F488-I570 HydrophobicContact CE2-CG2 4.21Å; F488-I570 WeakPolarHBondContact CE2-O 3.41Å; F488-D574 HydrophobicContact CE2-CB 3.89Å; F488-D574 HydrophobicContact CZ-CB 3.42Å; F488-D574 VanDerWaalsContact CZ-CB 3.42Å; F488-L578 HydrophobicContact CE1-CD2 4.23Å; F488-L578 HydrophobicContact CZ-CD2 4.33Å; F488-W585 AromaticContact CD1-CH2 3.98Å; F488-W585 HydrophobicContact CD1-CH2 3.98Å; F488-W585 HydrophobicContact CD1-CZ3 4.23Å; F488-W585 HydrophobicContact CE1-CE3 4.39Å; F488-W585 AromaticContact CE1-CH2 3.58Å; F488-W585 HydrophobicContact CE1-CH2 3.58Å; F488-W585 AromaticContact CE1-CZ3 3.47Å; F488-W585 HydrophobicContact CE1-CZ3 3.47Å; F488-W585 VanDerWaalsContact CE1-CZ3 3.47Å; F488-W585 HydrophobicContact CZ-CZ3 4.43Å; F488-V588 WeakPolarHBondContact CB-O 3.25Å; F488-V588 HydrophobicContact CD1-CG1 3.84Å; F488-V588 HydrophobicContact CD2-CG1 4.36Å; F488-V588 HydrophobicContact CE1-CG1 3.73Å; F488-V588 HydrophobicContact CE2-CG1 4.27Å; F488-V588 HydrophobicContact CG-CG1 4.12Å; F488-V588 HydrophobicContact CZ-CG1 3.93Å; F488-L591 PolarHBondContact N-O 3.03Å; F488-F593 HydrophobicContact CD2-CZ 4.48Å
489E87.2Confident86.1Confident93 Ų9344.2 Ų44.244%0.43522%0.22SC..Hα-helixtrans-62.7-42.5177.6176.4177.2176.600112.5T487 H492 R493 W585 S589T487-E489 VanDerWaalsContact C-N 3.28Å; T487-E489 PolarHBondContact O-N 2.92Å; E489-H492 PolarHBondContact O-N 2.6Å; E489-R493 VanDerWaalsContact O-CB 3.26Å; E489-R493 WeakPolarHBondContact O-CB 3.4Å; E489-R493 PolarHBondContact O-N 3.02Å; E489-W585 HydrophobicContact CB-CZ2 4.3Å; E489-W585 HydrophobicContact CG-CZ2 4.3Å; E489-S589 PolarHBondContact N-O 3.23Å
490R90.9Very high85.6Confident52 Ų5249.2 Ų49.220%0.19623%0.231CC..Hα-helixtrans-66.6-41.1179.3-77.9172.9175.2168.92.4111.5E457 M461 F485 T487 F488 R493 L494E457-R490 VanDerWaalsContact CD-NH2 3.34Å; E457-R490 IonicContact OE1-CZ 2.96Å; E457-R490 IonicContact OE1-NH1 3.74Å; E457-R490 PolarHBondContact OE1-NH1 3.46Å; E457-R490 IonicContact OE1-NH2 3.86Å; E457-R490 IonicContact OE2-CZ 2.7Å; E457-R490 IonicContact OE2-NH1 3.25Å; E457-R490 PolarHBondContact OE2-NH1 3.11Å; E457-R490 IonicContact OE2-NH2 3.98Å; E457-R490 PolarHBondContact OE2-NH2 3.46Å; M461-R490 HydrophobicContact CE-CB 4.37Å; M461-R490 HydrophobicContact CE-CG 4.47Å; M461-R490 HydrophobicContact CG-CG 4.39Å; M461-R490 HydrophobicContact SD-CB 3.82Å; M461-R490 HydrophobicContact SD-CG 3.84Å; F485-R490 WeakPolarHBondContact O-CD 3.38Å; F485-R490 PolarHBondContact O-NH1 3.46Å; T487-R490 PolarHBondContact O-N 3.22Å; T487-R490 VanDerWaalsContact O-N 3.14Å; T487-R490 PolarHBondContact OG1-N 2.82Å; F488-R490 PolarHBondContact O-N 3.04Å; R490-R493 WeakPolarHBondContact O-CB 3.44Å; R490-R493 PolarHBondContact O-N 2.97Å; R490-L494 WeakPolarHBondContact O-CG 3.41Å; R490-L494 PolarHBondContact O-N 3.24Å
491L89.8Confident84.6Confident0 Ų049.6 Ų49.60%023%0.234CC..Hα-helixtrans-65.2-44.9176-172.366.1000111.6L486 T487 F488 R493 L494 Y495 L552 Y571 F593 E599L486-L491 HydrophobicContact CD1-CB 4.34Å; L486-L491 HydrophobicContact CD1-CD1 4.35Å; T487-L491 PolarHBondContact O-N 2.97Å; F488-L491 PolarHBondContact O-N 3.39Å; L491-R493 PolarHBondContact O-N 3.2Å; L491-L494 HydrophobicContact CD1-CD1 4.47Å; L491-L494 WeakPolarHBondContact O-CB 3.41Å; L491-L494 PolarHBondContact O-N 3.26Å; L491-L494 VanDerWaalsContact O-N 3.14Å; L491-Y495 HydrophobicContact CD1-CD2 4.28Å; L491-Y495 HydrophobicContact CD1-CE2 3.88Å; L491-Y495 HydrophobicContact CD2-CE2 4.49Å; L491-Y495 HydrophobicContact CG-CD2 4.16Å; L491-Y495 HydrophobicContact CG-CE2 3.97Å; L491-Y495 WeakPolarHBondContact O-CD2 3.4Å; L491-Y495 PolarHBondContact O-N 3.41Å; L491-Y495 VanDerWaalsContact O-N 3.14Å; L491-L552 HydrophobicContact CD2-CD2 3.7Å; L491-L552 HydrophobicContact CG-CD2 3.95Å; L491-Y571 HydrophobicContact CD2-CE2 4.03Å; L491-F593 HydrophobicContact CB-CE2 4.03Å; L491-F593 HydrophobicContact CB-CZ 4.3Å; L491-F593 HydrophobicContact CD2-CE1 4.02Å; L491-F593 HydrophobicContact CD2-CE2 3.72Å; L491-F593 HydrophobicContact CD2-CZ 3.4Å; L491-F593 VanDerWaalsContact CD2-CZ 3.4Å; L491-E599 HydrophobicContact CD1-CB 4.43Å; L491-E599 HydrophobicContact CD2-CB 4.09Å
492H86.8Confident83.8Confident18 Ų1851.7 Ų51.78%0.08324%0.242CC..Hα-helixtrans-57.3-41.1173.2177.6-96.6000111.4F488 E489 Y495 N496 I550 L552 D574 H579F488-H492 WeakPolarHBondContact O-CB 3.49Å; F488-H492 PolarHBondContact O-N 3.39Å; E489-H492 PolarHBondContact O-N 2.6Å; H492-Y495 PolarHBondContact O-N 3.04Å; H492-N496 PolarHBondContact CE1-ND2 3.27Å; H492-N496 PolarHBondContact NE2-ND2 2.72Å; H492-N496 VanDerWaalsContact NE2-ND2 3.14Å; H492-N496 PolarHBondContact O-N 3.04Å; H492-N496 PolarHBondContact O-ND2 3.48Å; H492-I550 PolarHBondContact NE2-O 3.06Å; H492-L552 HydrophobicContact CB-CD1 3.98Å; H492-D574 IonicContact CD2-OD2 3.74Å; H492-D574 PolarHBondContact CD2-OD2 2.91Å; H492-D574 IonicContact NE2-OD2 2.63Å; H492-H579 AromaticContact CE1-CE1 3.85Å; H492-H579 AromaticContact CE1-NE2 3.58Å; H492-H579 AromaticContact NE2-NE2 3.61Å
493R88.8Confident83Confident115 Ų11553.5 Ų53.543%0.43425%0.252SS..Hα-helixtrans-63.7-42.7175.7-168.8174.5176.3-162.3-12.6112.2M461 E489 R490 L491 Y495 N496 E497M461-R493 HydrophobicContact CE-CB 4.31Å; M461-R493 HydrophobicContact CE-CG 4.29Å; E489-R493 VanDerWaalsContact O-CB 3.26Å; E489-R493 WeakPolarHBondContact O-CB 3.4Å; E489-R493 PolarHBondContact O-N 3.02Å; R490-R493 WeakPolarHBondContact O-CB 3.44Å; R490-R493 PolarHBondContact O-N 2.97Å; L491-R493 PolarHBondContact O-N 3.2Å; R493-Y495 VanDerWaalsContact C-N 3.29Å; R493-Y495 PolarHBondContact O-N 2.67Å; R493-N496 PolarHBondContact O-N 2.88Å; R493-N496 VanDerWaalsContact O-N 3.1Å; R493-E497 HydrophobicContact CG-CG 4.04Å; R493-E497 VanDerWaalsContact CG-OE1 3.25Å; R493-E497 WeakPolarHBondContact CG-OE1 3.49Å; R493-E497 IonicContact CZ-OE1 2.69Å; R493-E497 IonicContact CZ-OE2 3.25Å; R493-E497 VanDerWaalsContact CZ-OE2 3.3Å; R493-E497 IonicContact NE-OE1 3.14Å; R493-E497 PolarHBondContact NE-OE1 3.36Å; R493-E497 IonicContact NE-OE2 3.89Å; R493-E497 PolarHBondContact NE-OE2 2.94Å; R493-E497 IonicContact NH2-OE1 3.14Å; R493-E497 IonicContact NH2-OE2 3.17Å; R493-E497 PolarHBondContact NH2-OE2 3.08Å; R493-E497 WeakPolarHBondContact O-CB 3.48Å; R493-E497 PolarHBondContact O-N 3.49Å
494L90.4Very high82.7Confident0 Ų046.5 Ų46.50%023%0.226CC..Hα-helixtrans-60.4-35.2176.9-74.7173.5000113M461 L464 L465 L486 R490 L491 N496 S498 L600 W603M461-L494 HydrophobicContact CE-CD2 3.75Å; M461-L494 HydrophobicContact CE-CG 3.84Å; M461-L494 HydrophobicContact SD-CD2 4.24Å; M461-L494 HydrophobicContact SD-CG 4.27Å; L464-L494 HydrophobicContact CB-CD2 3.79Å; L464-L494 HydrophobicContact CD1-CD1 4.11Å; L464-L494 HydrophobicContact CD1-CD2 4.27Å; L465-L494 HydrophobicContact CD2-CD2 3.9Å; L465-L494 HydrophobicContact CG-CD2 4.1Å; L486-L494 HydrophobicContact CD1-CD1 4.34Å; R490-L494 WeakPolarHBondContact O-CG 3.41Å; R490-L494 PolarHBondContact O-N 3.24Å; L491-L494 HydrophobicContact CD1-CD1 4.47Å; L491-L494 WeakPolarHBondContact O-CB 3.41Å; L491-L494 PolarHBondContact O-N 3.26Å; L491-L494 VanDerWaalsContact O-N 3.14Å; L494-N496 VanDerWaalsContact C-N 3.34Å; L494-S498 VanDerWaalsContact O-CB 3.26Å; L494-S498 WeakPolarHBondContact O-CB 3.5Å; L494-S498 PolarHBondContact O-OG 2.73Å; L494-L600 HydrophobicContact CD1-CD2 3.68Å; L494-W603 HydrophobicContact CB-CZ2 4.39Å; L494-W603 HydrophobicContact CD2-CH2 4.3Å; L494-W603 HydrophobicContact CD2-CZ2 4Å; L494-W603 PolarHBondContact O-NE1 3.45Å
495Y87.1Confident82.3Confident0 Ų041 Ų410%020%0.201CC..Hα-helixtrans-77.3-16.5176.3-82.1-73.6000114.3L491 H492 R493 L504 L552 I555 W603 L606 Y607L491-Y495 HydrophobicContact CD1-CD2 4.28Å; L491-Y495 HydrophobicContact CD1-CE2 3.88Å; L491-Y495 HydrophobicContact CD2-CE2 4.49Å; L491-Y495 HydrophobicContact CG-CD2 4.16Å; L491-Y495 HydrophobicContact CG-CE2 3.97Å; L491-Y495 WeakPolarHBondContact O-CD2 3.4Å; L491-Y495 PolarHBondContact O-N 3.41Å; L491-Y495 VanDerWaalsContact O-N 3.14Å; H492-Y495 PolarHBondContact O-N 3.04Å; R493-Y495 VanDerWaalsContact C-N 3.29Å; R493-Y495 PolarHBondContact O-N 2.67Å; Y495-L504 HydrophobicContact CD1-CD2 4.17Å; Y495-L552 HydrophobicContact CD2-CD2 4.02Å; Y495-L552 HydrophobicContact CE2-CD2 4.03Å; Y495-I555 HydrophobicContact CD1-CD1 3.29Å; Y495-I555 HydrophobicContact CD1-CG1 4.3Å; Y495-I555 HydrophobicContact CD2-CD1 3.5Å; Y495-I555 VanDerWaalsContact CD2-CD1 3.5Å; Y495-I555 HydrophobicContact CE1-CD1 3.56Å; Y495-I555 HydrophobicContact CE1-CG1 4.32Å; Y495-I555 HydrophobicContact CE1-CG2 4.33Å; Y495-I555 HydrophobicContact CE2-CD1 3.73Å; Y495-I555 HydrophobicContact CG-CD1 3.27Å; Y495-W603 AromaticContact CD1-CD1 3.78Å; Y495-W603 HydrophobicContact CE1-CB 4.16Å; Y495-W603 AromaticContact CE1-CD1 3.78Å; Y495-W603 HydrophobicContact CE1-CG 4.37Å; Y495-W603 HydrophobicContact CE2-CB 4.16Å; Y495-W603 WeakPolarHBondContact OH-CA 3.49Å; Y495-W603 PolarHBondContact OH-N 3.29Å; Y495-L606 HydrophobicContact CE1-CD1 3.87Å; Y495-Y607 AromaticContact CD1-CE2 3.93Å; Y495-Y607 HydrophobicContact CD1-CE2 3.93Å; Y495-Y607 HydrophobicContact CE1-CE2 4.45Å; Y495-Y607 PolarHBondContact O-OH 3.5Å
496N84.4Confident81.7Confident31 Ų3145 Ų4517%0.16622%0.216CC..Hα-helixtrans-104.9-31.1-177.3-76.1-67.3000113.3H492 R493 L494 R549 I550H492-N496 PolarHBondContact CE1-ND2 3.27Å; H492-N496 PolarHBondContact NE2-ND2 2.72Å; H492-N496 VanDerWaalsContact NE2-ND2 3.14Å; H492-N496 PolarHBondContact O-N 3.04Å; H492-N496 PolarHBondContact O-ND2 3.48Å; R493-N496 PolarHBondContact O-N 2.88Å; R493-N496 VanDerWaalsContact O-N 3.1Å; L494-N496 VanDerWaalsContact C-N 3.34Å; N496-R549 WeakPolarHBondContact OD1-CA 3.25Å; N496-I550 PolarHBondContact ND2-O 2.96Å; N496-I550 VanDerWaalsContact ND2-O 3.07Å; N496-I550 PolarHBondContact OD1-N 3.01Å
497E83.7Confident81.1Confident90 Ų9045.1 Ų45.142%0.42122%0.217SC..Hα-helixtrans-99.7-8.8-174.6-68.6-176.8-167.600114.1L465 R493L465-E497 HydrophobicContact CD1-CB 4.16Å; L465-E497 HydrophobicContact CD2-CB 3.72Å; R493-E497 HydrophobicContact CG-CG 4.04Å; R493-E497 VanDerWaalsContact CG-OE1 3.25Å; R493-E497 WeakPolarHBondContact CG-OE1 3.49Å; R493-E497 IonicContact CZ-OE1 2.69Å; R493-E497 IonicContact CZ-OE2 3.25Å; R493-E497 VanDerWaalsContact CZ-OE2 3.3Å; R493-E497 IonicContact NE-OE1 3.14Å; R493-E497 PolarHBondContact NE-OE1 3.36Å; R493-E497 IonicContact NE-OE2 3.89Å; R493-E497 PolarHBondContact NE-OE2 2.94Å; R493-E497 IonicContact NH2-OE1 3.14Å; R493-E497 IonicContact NH2-OE2 3.17Å; R493-E497 PolarHBondContact NH2-OE2 3.08Å; R493-E497 WeakPolarHBondContact O-CB 3.48Å; R493-E497 PolarHBondContact O-N 3.49Å
498S78.5Confident80.6Confident8 Ų844 Ų446%0.05621%0.21CC..  trans-70.4138.1-178.945.90000112.2L494 Y607L494-S498 VanDerWaalsContact O-CB 3.26Å; L494-S498 WeakPolarHBondContact O-CB 3.5Å; L494-S498 PolarHBondContact O-OG 2.73Å; S498-Y607 WeakPolarHBondContact OG-CE1 3.48Å; S498-Y607 VanDerWaalsContact OG-CE2 3.29Å; S498-Y607 WeakPolarHBondContact OG-CE2 3.35Å; S498-Y607 PolarHBondContact OG-OH 3.38Å
499T69.3Low80.3Confident78 Ų7849.5 Ų49.548%0.47923%0.234SC..SBendtrans-68.8151176.452.80000111.2
500H68.1Low79.9Confident149 Ų14949.5 Ų49.569%0.6924%0.237SC*.  trans68.145.9179.3-50.8-80.3000115.7N502H500-N502 PolarHBondContact O-N 2.56Å; H500-N502 VanDerWaalsContact O-N 3.13Å
501S65.8Low79.3Confident16 Ų1649.8 Ų49.811%0.11224%0.238CC..THydrogen-bonded Turntrans-71.30.5176.257.90000115.2D503 L504 I505S501-D503 VanDerWaalsContact C-N 3.29Å; S501-D503 PolarHBondContact O-N 3.37Å; S501-L504 PolarHBondContact O-N 2.88Å; S501-I505 VanDerWaalsContact O-CB 3.31Å; S501-I505 WeakPolarHBondContact O-CB 3.21Å; S501-I505 WeakPolarHBondContact O-CD1 3.45Å; S501-I505 WeakPolarHBondContact O-CG1 3.32Å; S501-I505 PolarHBondContact O-N 3.4Å; S501-I505 WeakPolarHBondContact OG-CD1 3.09Å
502N70.6Confident78.7Confident123 Ų12358.1 Ų58.166%0.65828%0.275SS*.Hα-helixtrans-56.4-41.4-173.7-74.5-17.6000112.9H500 R506H500-N502 PolarHBondContact O-N 2.56Å; H500-N502 VanDerWaalsContact O-N 3.13Å; N502-R506 WeakPolarHBondContact O-CB 3.39Å; N502-R506 PolarHBondContact O-N 3.5Å
503D72.9Confident78Confident45 Ų4558.6 Ų58.624%0.24128%0.277CS..Hα-helixtrans-79-38.6-176.3-62.8-56.7000112.9S501 I505 R506 C507 Q608S501-D503 VanDerWaalsContact C-N 3.29Å; S501-D503 PolarHBondContact O-N 3.37Å; D503-I505 VanDerWaalsContact C-N 3.34Å; D503-I505 PolarHBondContact O-N 2.86Å; D503-R506 WeakPolarHBondContact O-CB 3.47Å; D503-R506 PolarHBondContact O-N 2.9Å; D503-C507 PolarHBondContact O-N 3.32Å; D503-C507 PolarHBondContact O-SG 3.5Å; D503-Q608 PolarHBondContact OD2-NE2 3.13Å
504L80.3Confident77Confident1 Ų155.1 Ų55.11%0.00527%0.267CS..Hα-helixtrans-60.1-46.2169.3176.960.8000110.8Y495 S501 R506 C507 L508 I550 L558 L606 Y607Y495-L504 HydrophobicContact CD1-CD2 4.17Å; S501-L504 PolarHBondContact O-N 2.88Å; L504-R506 VanDerWaalsContact C-N 3.28Å; L504-R506 PolarHBondContact O-N 3.34Å; L504-C507 WeakPolarHBondContact O-CB 3.48Å; L504-C507 PolarHBondContact O-N 3.17Å; L504-L508 HydrophobicContact CD1-CD1 4.36Å; L504-L508 HydrophobicContact CD1-CG 4.36Å; L504-L508 HydrophobicContact CG-CD1 4.12Å; L504-L508 VanDerWaalsContact O-CG 3.32Å; L504-L508 WeakPolarHBondContact O-CG 3.48Å; L504-L508 PolarHBondContact O-N 3.01Å; L504-I550 HydrophobicContact CD2-CD1 3.74Å; L504-I550 HydrophobicContact CG-CD1 4.34Å; L504-L558 HydrophobicContact CD1-CD2 3.7Å; L504-L606 HydrophobicContact CD1-CB 4.3Å; L504-L606 HydrophobicContact CD1-CD1 4.4Å; L504-L606 HydrophobicContact CD1-CD2 4.28Å; L504-Y607 HydrophobicContact CD2-CE2 3.71Å
505I77.7Confident75.1Confident18 Ų1859.3 Ų59.39%0.09229%0.293CS..Hα-helixtrans-61.7-39.8176.7-69.2167.8000110.3S501 D503 L508 K509 L514S501-I505 VanDerWaalsContact O-CB 3.31Å; S501-I505 WeakPolarHBondContact O-CB 3.21Å; S501-I505 WeakPolarHBondContact O-CD1 3.45Å; S501-I505 WeakPolarHBondContact O-CG1 3.32Å; S501-I505 PolarHBondContact O-N 3.4Å; S501-I505 WeakPolarHBondContact OG-CD1 3.09Å; D503-I505 VanDerWaalsContact C-N 3.34Å; D503-I505 PolarHBondContact O-N 2.86Å; I505-L508 PolarHBondContact O-N 2.85Å; I505-K509 HydrophobicContact CG2-CD 4.2Å; I505-K509 HydrophobicContact CG2-CG 4.39Å; I505-K509 WeakPolarHBondContact O-CB 3.22Å; I505-K509 WeakPolarHBondContact O-CG 3.38Å; I505-K509 PolarHBondContact O-N 3.01Å; I505-L514 HydrophobicContact CG2-CD1 4.27Å
506R75.9Confident73Confident83 Ų8363.9 Ų63.931%0.31333%0.325SS..Hα-helixtrans-61.5-44.1174.7-176.9-177.4-179.1143.28.2111.4N502 D503 L504 K509 N510 L640 P642N502-R506 WeakPolarHBondContact O-CB 3.39Å; N502-R506 PolarHBondContact O-N 3.5Å; D503-R506 WeakPolarHBondContact O-CB 3.47Å; D503-R506 PolarHBondContact O-N 2.9Å; L504-R506 VanDerWaalsContact C-N 3.28Å; L504-R506 PolarHBondContact O-N 3.34Å; R506-K509 PolarHBondContact O-N 3.06Å; R506-N510 PolarHBondContact O-N 3.34Å; R506-L640 PolarHBondContact NE-O 3.35Å; R506-L640 PolarHBondContact NH2-O 3.24Å; R506-P642 VanDerWaalsContact NH2-CG 3.31Å
507C77.8Confident70.9Confident4 Ų469.7 Ų69.73%0.02735%0.351CS..Hα-helixtrans-59.1-50.5173.8-64.60000111D503 L504 K509 N510 Y511 L558 L640D503-C507 PolarHBondContact O-N 3.32Å; D503-C507 PolarHBondContact O-SG 3.5Å; L504-C507 WeakPolarHBondContact O-CB 3.48Å; L504-C507 PolarHBondContact O-N 3.17Å; C507-K509 VanDerWaalsContact C-N 3.32Å; C507-K509 PolarHBondContact O-N 3.13Å; C507-N510 PolarHBondContact O-N 2.73Å; C507-Y511 VanDerWaalsContact O-CD2 3.27Å; C507-Y511 WeakPolarHBondContact O-CD2 3.22Å; C507-Y511 PolarHBondContact O-N 3.05Å; C507-L558 HydrophobicContact CB-CD1 4.16Å; C507-L558 HydrophobicContact CB-CD2 4.32Å; C507-L640 HydrophobicContact CB-CD1 4.04Å; C507-L640 WeakPolarHBondContact SG-CD1 3.31Å
508L80.7Confident68.6Low1 Ų171.5 Ų71.51%0.00536%0.359CS..Hα-helixtrans-60.5-39179.4-70.6171.5000112.8L504 I505 K512 L513 L514 I550 T554 L558L504-L508 HydrophobicContact CD1-CD1 4.36Å; L504-L508 HydrophobicContact CD1-CG 4.36Å; L504-L508 HydrophobicContact CG-CD1 4.12Å; L504-L508 VanDerWaalsContact O-CG 3.32Å; L504-L508 WeakPolarHBondContact O-CG 3.48Å; L504-L508 PolarHBondContact O-N 3.01Å; I505-L508 PolarHBondContact O-N 2.85Å; L508-K512 PolarHBondContact O-N 3.49Å; L508-L513 HydrophobicContact CD2-CB 4.03Å; L508-L513 HydrophobicContact CD2-CD1 4.01Å; L508-L513 PolarHBondContact O-N 2.92Å; L508-L514 HydrophobicContact CB-CD1 3.47Å; L508-L514 VanDerWaalsContact CB-CD1 3.47Å; L508-L514 HydrophobicContact CB-CG 3.98Å; L508-L514 HydrophobicContact CD1-CD1 4.13Å; L508-L514 HydrophobicContact CG-CD1 4.45Å; L508-I550 HydrophobicContact CD1-CD1 4.12Å; L508-I550 HydrophobicContact CD1-CG1 4.33Å; L508-I550 HydrophobicContact CD1-CG2 4.26Å; L508-T554 HydrophobicContact CD2-CG2 3.74Å; L508-L558 HydrophobicContact CD2-CB 4.12Å; L508-L558 HydrophobicContact CD2-CD1 4.33Å; L508-L558 HydrophobicContact CD2-CD2 3.99Å; L508-L558 HydrophobicContact CD2-CG 4.38Å; L508-L558 HydrophobicContact CG-CD2 4.36Å
509K79.6Confident66.4Low115 Ų11576.9 Ų76.950%0.539%0.387SS..Hα-helixtrans-66.4-49.2175.5-79-178.4178.9-178.30112.1I505 R506 C507 Y511 K512 L514I505-K509 HydrophobicContact CG2-CD 4.2Å; I505-K509 HydrophobicContact CG2-CG 4.39Å; I505-K509 WeakPolarHBondContact O-CB 3.22Å; I505-K509 WeakPolarHBondContact O-CG 3.38Å; I505-K509 PolarHBondContact O-N 3.01Å; R506-K509 PolarHBondContact O-N 3.06Å; C507-K509 VanDerWaalsContact C-N 3.32Å; C507-K509 PolarHBondContact O-N 3.13Å; K509-Y511 VanDerWaalsContact C-N 3.29Å; K509-Y511 PolarHBondContact O-N 3.49Å; K509-K512 PolarHBondContact O-N 3.37Å; K509-L514 HydrophobicContact CG-CD1 4.18Å
510N78.5Confident64.3Low93 Ų9378.1 Ų78.150%0.49739%0.394SS..Hα-helixtrans-62-39.7-179.3-93.62.5000112R506 C507 K512 L640R506-N510 PolarHBondContact O-N 3.34Å; C507-N510 PolarHBondContact O-N 2.73Å; N510-K512 PolarHBondContact O-N 3.41Å; N510-L640 HydrophobicContact CB-CD2 3.7Å; N510-L640 WeakPolarHBondContact ND2-CD2 3.05Å
511Y77.7Confident62.4Low58 Ų5876.8 Ų76.823%0.22740%0.397CS..THydrogen-bonded Turntrans-76.12.5174.7-75.5-71.2000113.4C507 K509 L513 L558 R561 M562 L640C507-Y511 VanDerWaalsContact O-CD2 3.27Å; C507-Y511 WeakPolarHBondContact O-CD2 3.22Å; C507-Y511 PolarHBondContact O-N 3.05Å; K509-Y511 VanDerWaalsContact C-N 3.29Å; K509-Y511 PolarHBondContact O-N 3.49Å; Y511-L513 VanDerWaalsContact C-N 3.28Å; Y511-L513 PolarHBondContact O-N 3.03Å; Y511-L558 HydrophobicContact CD2-CD1 3.5Å; Y511-L558 HydrophobicContact CE2-CD1 4.17Å; Y511-L558 HydrophobicContact CG-CD1 4.17Å; Y511-R561 HydrophobicContact CD1-CB 3.9Å; Y511-R561 HydrophobicContact CE1-CB 4.18Å; Y511-R561 HydrophobicContact CG-CB 4.42Å; Y511-R561 PolarHBondContact O-NH1 3.36Å; Y511-M562 HydrophobicContact CE2-CG 3.73Å; Y511-M562 HydrophobicContact CE2-SD 4.38Å; Y511-L640 HydrophobicContact CE2-CD1 4.13Å; Y511-L640 HydrophobicContact CE2-CD2 4.47Å
512K77.1Confident60.6Low175 Ų17582.1 Ų82.176%0.76143%0.434SS*.THydrogen-bonded Turntrans54.342.4-177.1-54-178.3-179.3-177.50112.8L508 K509 N510L508-K512 PolarHBondContact O-N 3.49Å; K509-K512 PolarHBondContact O-N 3.37Å; N510-K512 PolarHBondContact O-N 3.41Å
513L73.5Confident58.5Low27 Ų2780.8 Ų80.814%0.14143%0.434CS..  trans-96.9-15.2173.9-71.2169000112.3L508 Y511 T554 K557 L558L508-L513 HydrophobicContact CD2-CB 4.03Å; L508-L513 HydrophobicContact CD2-CD1 4.01Å; L508-L513 PolarHBondContact O-N 2.92Å; Y511-L513 VanDerWaalsContact C-N 3.28Å; Y511-L513 PolarHBondContact O-N 3.03Å; L513-T554 HydrophobicContact CB-CG2 4Å; L513-K557 HydrophobicContact CD1-CB 4.44Å; L513-K557 HydrophobicContact CD2-CB 3.82Å; L513-K557 HydrophobicContact CD2-CD 4.38Å; L513-L558 HydrophobicContact CD1-CB 3.7Å; L513-L558 HydrophobicContact CD1-CD1 3.96Å; L513-L558 HydrophobicContact CD1-CG 4.47Å
514L67.4Low56.2Low43 Ų4384.6 Ų84.623%0.22546%0.459CS..SBendtrans-104.2105.6168.1-75.9160.7000108.2I505 L508 K509 Y548I505-L514 HydrophobicContact CG2-CD1 4.27Å; L508-L514 HydrophobicContact CB-CD1 3.47Å; L508-L514 VanDerWaalsContact CB-CD1 3.47Å; L508-L514 HydrophobicContact CB-CG 3.98Å; L508-L514 HydrophobicContact CD1-CD1 4.13Å; L508-L514 HydrophobicContact CG-CD1 4.45Å; K509-L514 HydrophobicContact CG-CD1 4.18Å; L514-Y548 HydrophobicContact CD2-CD1 3.79Å; L514-Y548 HydrophobicContact CD2-CE1 4.43Å; L514-Y548 HydrophobicContact CD2-CG 4.25Å
515T50.4Low53.5Low87 Ų8794.4 Ų94.453%0.53450%0.502SS..  trans-84.1136.8176.7-30.40000109.4E517T515-E517 PolarHBondContact O-N 3.25Å
516S44Very low51Low96 Ų96101.8 Ų101.867%0.67154%0.54SS*.G310 helixtrans-63.8-2.5-177.4-160.60000114.8H518S516-H518 VanDerWaalsContact C-N 3.34Å
517E38.9Very low48.5Very low154 Ų154106.5 Ų106.572%0.7257%0.566SS**G310 helixtrans-78-12.7-178.8-70.1-178.5160.800114T515 L519T515-E517 PolarHBondContact O-N 3.25Å; E517-L519 PolarHBondContact O-N 2.97Å
518H35.9Very low45.9Very low128 Ų128114.1 Ų114.159%0.59361%0.605SS**G310 helixtrans-78.27.3174.3-65.1-75.1000114S516S516-H518 VanDerWaalsContact C-N 3.34Å
519L32.6Very low43.3Very low121 Ų121119.3 Ų119.363%0.63464%0.639SS**G310 helixtrans-80-7.4176.6-98103.9000114.6E517E517-L519 PolarHBondContact O-N 2.97Å
520T25.8Very low40.9Very low103 Ų103120 Ų12063%0.63265%0.653SS**SBendtrans-131.724.5-162.154.10000117.3
521V27.7Very low38.1Very low122 Ų122124 Ų12474%0.73967%0.67SS**SBendtrans-134.764.6172.7-165.10000112.5
522S27.7Very low35.6Very low128 Ų128128.7 Ų128.790%0.89570%0.698SS**SBendtrans-157.432.6149.3-87.50000111.6
523S25.4Very low33Very low95 Ų95125.5 Ų125.566%0.66470%0.697SS**  trans-130.546.1179.341.60000111.5
524T25.3Very low30.6Very low124 Ų124131.4 Ų131.476%0.76173%0.729SS**  trans-136.167.9168.547.50000111.1
525K24.9Very low28.5Very low208 Ų208138.7 Ų138.790%0.90476%0.762SS**SBendtrans-176.367.6147-102.9174.8-172.5-176.30110.9
526L23.7Very low27.2Very low173 Ų173139 Ų13991%0.90676%0.759SS**  trans-167.7120.2138.1-140.769.5000110
527H24.4Very low26.2Very low182 Ų182141.2 Ų141.284%0.84377%0.768SS**  trans-63.7128.6167.4-84.3-92.6000111
528L23.5Very low25.6Very low163 Ų163138.3 Ų138.385%0.85377%0.771SS**  174.3152.5113-128.258.9000110.7
529P25.9Very low25Very low110 Ų110139.9 Ų139.971%0.71478%0.778SS**  trans-101.1160.2-160.838.9-30000114.6
530V28.1Very low24.6Very low131 Ų131145.2 Ų145.279%0.79479%0.79SS**  trans12.4120.6155.4-175.10000117.5
531M20.3Very low24.6Very low175 Ų175144.4 Ų144.486%0.86280%0.802SS**  trans-170.9151132.6-97.6-59.9-177.800111.5
532I25.4Very low24.5Very low157 Ų157146.5 Ų146.581%0.80580%0.804SS**  trans-68.4131.8-179.6-64.4154.1000111.3
533S22.7Very low24.5Very low108 Ų108144.7 Ų144.776%0.75579%0.791SS**  trans168.3145.5133.156.10000112.4
534N23.3Very low24.7Very low152 Ų152150.7 Ų150.781%0.81381%0.806SS**  trans-14.4133.8161.8-67.7-16.2000116.7
535E23Very low25.3Very low195 Ų195150 Ų15091%0.91180%0.801SS**  -180147.9108-98.7174.6176.900112.4
536M23.4Very low26.1Very low94 Ų94141.4 Ų141.446%0.46377%0.767SS.*  trans-57.7162171-69.4165.5161.700112.5H18H18-M536 WeakPolarHBondContact CE1-CE 2.9Å; H18-M536 WeakPolarHBondContact NE2-CE 3.42Å
537T23.2Very low27.5Very low142 Ų142138.9 Ų138.987%0.87176%0.761SS**  trans103.597.7161.770.70000116.8
538A25.5Very low29Very low93 Ų93133.6 Ų133.677%0.76973%0.734SS**  trans169.897.1145.300000107.3
539E24Very low31.1Very low161 Ų161134 Ų13475%0.75273%0.725SS**  54.780.482.9-62.8-161.2153.800114.6
540R24.2Very low33.6Very low234 Ų234128.9 Ų128.988%0.88369%0.691SS**  -176.6132.3123.9-109.4172.9179.4156.51108.7Q542R540-Q542 PolarHBondContact O-N 3.38Å
541G24.1Very low36.2Very low86 Ų86124.1 Ų124.189%0.88766%0.659SS**  trans-58.489.1166.500000109.8S543G541-S543 PolarHBondContact O-N 2.85Å
542Q25.5Very low39.1Very low166 Ų166115.8 Ų115.878%0.77662%0.618SS**  trans-82.2100.9160.2-75.9-178.8-2.400105.4R540 F544R540-Q542 PolarHBondContact O-N 3.38Å; Q542-F544 PolarHBondContact O-N 3.39Å; Q542-F544 VanDerWaalsContact O-N 3.08Å
543S27.8Very low41.9Very low90 Ų90108.8 Ų108.863%0.62958%0.584SS**  trans-38.6119.2147.948.20000107.2G541 T545G541-S543 PolarHBondContact O-N 2.85Å; S543-T545 PolarHBondContact O-N 2.83Å
544F31Very low44.8Very low221 Ų221104.8 Ų104.897%0.96955%0.554SS**  trans-56.681.1171.9-94.1-97.8000108.4Q542Q542-F544 PolarHBondContact O-N 3.39Å; Q542-F544 VanDerWaalsContact O-N 3.08Å
545T36.8Very low47.7Very low108 Ų10897.5 Ų97.566%0.66352%0.516SS*.  trans-79119.2167.846.60000104.6S543S543-T545 PolarHBondContact O-N 2.83Å
546S42.8Very low50.7Low28 Ų2888.2 Ų88.220%0.19647%0.472CS..  trans-54.1135.6-179.850.70000109.7Y548S546-Y548 PolarHBondContact O-N 2.84Å
547P52.2Low53.6Low120 Ų12088.4 Ų88.478%0.77947%0.47SS*.SBendtrans-67.94.1-178.626.1-33.1000114
548Y56.1Low56.5Low71 Ų7181.6 Ų81.628%0.27843%0.429SS..  trans-110.8122.1-177.3-56.3-80.1000109.6L514 S546L514-Y548 HydrophobicContact CD2-CD1 3.79Å; L514-Y548 HydrophobicContact CD2-CE1 4.43Å; L514-Y548 HydrophobicContact CD2-CG 4.25Å; S546-Y548 PolarHBondContact O-N 2.84Å
549R68.7Low59.3Low171 Ų17177.2 Ų77.265%0.64539%0.392SS*.  trans-79118.9162.3-86.9-175.7175.4177-0.8108.9N496 Y551N496-R549 WeakPolarHBondContact OD1-CA 3.25Å; R549-Y551 HydrophobicContact CB-CE2 4.47Å
550I77Confident62.2Low4 Ų473.3 Ų73.32%0.02137%0.371CS..  trans-92.1113.1176.7-55.1177000107.6H492 N496 L504 L508 I555H492-I550 PolarHBondContact NE2-O 3.06Å; N496-I550 PolarHBondContact ND2-O 2.96Å; N496-I550 VanDerWaalsContact ND2-O 3.07Å; N496-I550 PolarHBondContact OD1-N 3.01Å; L504-I550 HydrophobicContact CD2-CD1 3.74Å; L504-I550 HydrophobicContact CG-CD1 4.34Å; L508-I550 HydrophobicContact CD1-CD1 4.12Å; L508-I550 HydrophobicContact CD1-CG1 4.33Å; L508-I550 HydrophobicContact CD1-CG2 4.26Å; I550-I555 HydrophobicContact CG2-CD1 3.78Å; I550-I555 HydrophobicContact CG2-CG1 3.77Å
551Y82.6Confident65Low30 Ų3068.3 Ų68.312%0.11835%0.352CS..  trans-84.1148172.2-58-73.2000110.9R549 S553 T554 I555 D574 E576 H579R549-Y551 HydrophobicContact CB-CE2 4.47Å; Y551-S553 PolarHBondContact O-N 3.32Å; Y551-T554 WeakPolarHBondContact O-CA 3.36Å; Y551-T554 VanDerWaalsContact O-CB 3.27Å; Y551-T554 WeakPolarHBondContact O-CB 3.41Å; Y551-T554 PolarHBondContact O-N 3.47Å; Y551-I555 PolarHBondContact O-N 3.07Å; Y551-D574 WeakPolarHBondContact CA-OD2 3.42Å; Y551-E576 HydrophobicContact CE1-CG 4.36Å; Y551-E576 HydrophobicContact CE2-CG 3.58Å; Y551-E576 VanDerWaalsContact CZ-CG 3.43Å; Y551-E576 WeakPolarHBondContact OH-CG 3.47Å; Y551-H579 AromaticContact CD1-CD2 3.92Å; Y551-H579 AromaticContact CE1-CD2 3.48Å; Y551-H579 VanDerWaalsContact CE1-CD2 3.48Å; Y551-H579 WeakPolarHBondContact CE1-CD2 3.23Å; Y551-H579 AromaticContact CE1-NE2 3.93Å
552L83Confident67.7Low0 Ų064.5 Ų64.50%031%0.311CS..Hα-helixtrans-59.5-34.5174.9-69.1148.8000111.3F488 L491 H492 Y495 T554 I555 C556 Y571 D574F488-L552 HydrophobicContact CD2-CD1 3.78Å; F488-L552 HydrophobicContact CE2-CD1 3.45Å; F488-L552 VanDerWaalsContact CE2-CD1 3.45Å; F488-L552 HydrophobicContact CG-CD1 4.48Å; F488-L552 HydrophobicContact CZ-CD1 3.91Å; L491-L552 HydrophobicContact CD2-CD2 3.7Å; L491-L552 HydrophobicContact CG-CD2 3.95Å; H492-L552 HydrophobicContact CB-CD1 3.98Å; Y495-L552 HydrophobicContact CD2-CD2 4.02Å; Y495-L552 HydrophobicContact CE2-CD2 4.03Å; L552-T554 PolarHBondContact O-N 3.13Å; L552-I555 HydrophobicContact CD2-CD1 4.47Å; L552-I555 CarbonylContact O-C 3.09Å; L552-I555 WeakPolarHBondContact O-CA 3.33Å; L552-I555 WeakPolarHBondContact O-CB 3.41Å; L552-I555 PolarHBondContact O-N 2.87Å; L552-C556 PolarHBondContact O-N 3.48Å; L552-Y571 HydrophobicContact CB-CD1 3.8Å; L552-Y571 HydrophobicContact CB-CE1 4.29Å; L552-Y571 HydrophobicContact CB-CG 4.06Å; L552-Y571 HydrophobicContact CD2-CD1 3.86Å; L552-Y571 HydrophobicContact CD2-CD2 4.45Å; L552-Y571 HydrophobicContact CD2-CE1 3.49Å; L552-Y571 VanDerWaalsContact CD2-CE1 3.49Å; L552-Y571 HydrophobicContact CD2-CE2 4.16Å; L552-Y571 HydrophobicContact CD2-CG 4.31Å; L552-Y571 HydrophobicContact CG-CD1 4.49Å; L552-Y571 VanDerWaalsContact O-CD1 3.25Å; L552-Y571 WeakPolarHBondContact O-CD1 3.38Å; L552-D574 HydrophobicContact CB-CB 3.65Å; L552-D574 WeakPolarHBondContact CB-OD2 3.4Å; L552-D574 HydrophobicContact CD1-CB 4.17Å; L552-D574 HydrophobicContact CG-CB 4.4Å; L552-D574 PolarHBondContact N-OD2 3.06Å
553S82.5Confident70.1Confident11 Ų1156.7 Ų56.78%0.07727%0.274CS..Hα-helixtrans-62.1-32.9174.865.20000112.5Y551 C556 K557 Y571 D574Y551-S553 PolarHBondContact O-N 3.32Å; S553-C556 PolarHBondContact O-N 3.21Å; S553-K557 VanDerWaalsContact O-CG 3.24Å; S553-K557 WeakPolarHBondContact O-CG 3.33Å; S553-K557 PolarHBondContact O-N 3.25Å; S553-Y571 WeakPolarHBondContact CA-O 3.46Å; S553-Y571 PolarHBondContact N-O 3.03Å; S553-Y571 VanDerWaalsContact N-O 3.16Å; S553-D574 WeakPolarHBondContact CB-O 3.2Å; S553-D574 PolarHBondContact OG-O 3.08Å
554T83.8Confident72.3Confident23 Ų2354.6 Ų54.614%0.14127%0.267CS..Hα-helixtrans-68.4-39174.2-48.40000110.8L508 L513 Y551 L552 K557 L558L508-T554 HydrophobicContact CD2-CG2 3.74Å; L513-T554 HydrophobicContact CB-CG2 4Å; Y551-T554 WeakPolarHBondContact O-CA 3.36Å; Y551-T554 VanDerWaalsContact O-CB 3.27Å; Y551-T554 WeakPolarHBondContact O-CB 3.41Å; Y551-T554 PolarHBondContact O-N 3.47Å; L552-T554 PolarHBondContact O-N 3.13Å; T554-K557 PolarHBondContact O-N 3.36Å; T554-L558 WeakPolarHBondContact O-CB 3.22Å; T554-L558 PolarHBondContact O-N 3.18Å
555I85Confident74.3Confident0 Ų050.9 Ų50.90%025%0.247CC..Hα-helixtrans-67.1-42.6175.5-63.4160.1000110.7Y495 I550 Y551 L552 K557 L558 I559 Y571 L606Y495-I555 HydrophobicContact CD1-CD1 3.29Å; Y495-I555 HydrophobicContact CD1-CG1 4.3Å; Y495-I555 HydrophobicContact CD2-CD1 3.5Å; Y495-I555 VanDerWaalsContact CD2-CD1 3.5Å; Y495-I555 HydrophobicContact CE1-CD1 3.56Å; Y495-I555 HydrophobicContact CE1-CG1 4.32Å; Y495-I555 HydrophobicContact CE1-CG2 4.33Å; Y495-I555 HydrophobicContact CE2-CD1 3.73Å; Y495-I555 HydrophobicContact CG-CD1 3.27Å; I550-I555 HydrophobicContact CG2-CD1 3.78Å; I550-I555 HydrophobicContact CG2-CG1 3.77Å; Y551-I555 PolarHBondContact O-N 3.07Å; L552-I555 HydrophobicContact CD2-CD1 4.47Å; L552-I555 CarbonylContact O-C 3.09Å; L552-I555 WeakPolarHBondContact O-CA 3.33Å; L552-I555 WeakPolarHBondContact O-CB 3.41Å; L552-I555 PolarHBondContact O-N 2.87Å; I555-K557 VanDerWaalsContact C-N 3.3Å; I555-K557 PolarHBondContact O-N 3.25Å; I555-L558 WeakPolarHBondContact O-CB 3.27Å; I555-L558 PolarHBondContact O-N 3.12Å; I555-L558 VanDerWaalsContact O-N 3.08Å; I555-I559 HydrophobicContact CG2-CD1 3.85Å; I555-I559 HydrophobicContact CG2-CG1 4.29Å; I555-I559 WeakPolarHBondContact O-CG1 3.48Å; I555-I559 PolarHBondContact O-N 2.82Å; I555-Y571 HydrophobicContact CB-CD1 4.41Å; I555-Y571 HydrophobicContact CB-CE1 4.2Å; I555-Y571 HydrophobicContact CG2-CD1 4.47Å; I555-Y571 HydrophobicContact CG2-CE1 3.88Å; I555-L606 HydrophobicContact CG2-CD1 3.99Å
556C85.3Confident76.3Confident0 Ų045.8 Ų45.80%022%0.216CC..Hα-helixtrans-60.6-41.4175-173.80000111.3L552 S553 R560 Y566 Y571L552-C556 PolarHBondContact O-N 3.48Å; S553-C556 PolarHBondContact O-N 3.21Å; C556-R560 WeakPolarHBondContact O-CB 3.46Å; C556-R560 PolarHBondContact O-N 3.11Å; C556-Y566 HydrophobicContact CB-CD1 4.41Å; C556-Y566 HydrophobicContact CB-CE1 4.31Å; C556-Y566 WeakPolarHBondContact SG-CD1 3.43Å; C556-Y571 HydrophobicContact CB-CD1 3.97Å; C556-Y571 HydrophobicContact CB-CG 4.25Å
557K84Confident77.6Confident97 Ų9748 Ų4842%0.42223%0.228SC..Hα-helixtrans-64.3-37.4173.3-71.5167.3-172.7168.30112.5L513 S553 T554 I555 R561L513-K557 HydrophobicContact CD1-CB 4.44Å; L513-K557 HydrophobicContact CD2-CB 3.82Å; L513-K557 HydrophobicContact CD2-CD 4.38Å; S553-K557 VanDerWaalsContact O-CG 3.24Å; S553-K557 WeakPolarHBondContact O-CG 3.33Å; S553-K557 PolarHBondContact O-N 3.25Å; T554-K557 PolarHBondContact O-N 3.36Å; I555-K557 VanDerWaalsContact C-N 3.3Å; I555-K557 PolarHBondContact O-N 3.25Å; K557-R561 WeakPolarHBondContact O-CB 3.14Å; K557-R561 WeakPolarHBondContact O-CG 2.87Å; K557-R561 PolarHBondContact O-N 3.22Å
558L85.1Confident78.8Confident0 Ų043 Ų430%020%0.195CC..Hα-helixtrans-63.2-54.2175.5178.168.3000110.7L504 C507 L508 Y511 L513 T554 I555 R560 R561 M562 L606L504-L558 HydrophobicContact CD1-CD2 3.7Å; C507-L558 HydrophobicContact CB-CD1 4.16Å; C507-L558 HydrophobicContact CB-CD2 4.32Å; L508-L558 HydrophobicContact CD2-CB 4.12Å; L508-L558 HydrophobicContact CD2-CD1 4.33Å; L508-L558 HydrophobicContact CD2-CD2 3.99Å; L508-L558 HydrophobicContact CD2-CG 4.38Å; L508-L558 HydrophobicContact CG-CD2 4.36Å; Y511-L558 HydrophobicContact CD2-CD1 3.5Å; Y511-L558 HydrophobicContact CE2-CD1 4.17Å; Y511-L558 HydrophobicContact CG-CD1 4.17Å; L513-L558 HydrophobicContact CD1-CB 3.7Å; L513-L558 HydrophobicContact CD1-CD1 3.96Å; L513-L558 HydrophobicContact CD1-CG 4.47Å; T554-L558 WeakPolarHBondContact O-CB 3.22Å; T554-L558 PolarHBondContact O-N 3.18Å; I555-L558 WeakPolarHBondContact O-CB 3.27Å; I555-L558 PolarHBondContact O-N 3.12Å; I555-L558 VanDerWaalsContact O-N 3.08Å; L558-R560 VanDerWaalsContact C-N 3.27Å; L558-R560 PolarHBondContact O-N 3.26Å; L558-R561 WeakPolarHBondContact O-CA 3.21Å; L558-R561 WeakPolarHBondContact O-CB 3.16Å; L558-R561 PolarHBondContact O-N 3.42Å; L558-M562 HydrophobicContact CD1-SD 4.19Å; L558-M562 HydrophobicContact CG-SD 4.08Å; L558-M562 PolarHBondContact O-N 2.89Å; L558-L606 HydrophobicContact CD2-CD2 4.27Å
559I84.6Confident79.7Confident0 Ų048.5 Ų48.50%022%0.22CC..Hα-helixtrans-58-42.9178.2-66.9176000110I555 R561 M562 L563 Y566 L602 W689I555-I559 HydrophobicContact CG2-CD1 3.85Å; I555-I559 HydrophobicContact CG2-CG1 4.29Å; I555-I559 WeakPolarHBondContact O-CG1 3.48Å; I555-I559 PolarHBondContact O-N 2.82Å; I559-R561 VanDerWaalsContact C-N 3.3Å; I559-R561 PolarHBondContact O-N 2.84Å; I559-M562 PolarHBondContact O-N 3.28Å; I559-L563 HydrophobicContact CG2-CD1 3.56Å; I559-L563 WeakPolarHBondContact O-CB 3.22Å; I559-L563 PolarHBondContact O-N 2.91Å; I559-Y566 HydrophobicContact CB-CD1 3.91Å; I559-Y566 HydrophobicContact CB-CE1 4.38Å; I559-Y566 HydrophobicContact CB-CG 4.36Å; I559-Y566 HydrophobicContact CD1-CE1 4.29Å; I559-Y566 HydrophobicContact CG2-CD1 3.54Å; I559-Y566 HydrophobicContact CG2-CD2 4.06Å; I559-Y566 HydrophobicContact CG2-CE1 4.06Å; I559-Y566 HydrophobicContact CG2-CG 3.54Å; I559-L602 HydrophobicContact CD1-CD1 4.3Å; I559-W689 HydrophobicContact CG2-CZ3 4.27Å
560R85Confident80.1Confident80 Ų8042.1 Ų42.130%0.30220%0.198SC..Hα-helixtrans-62.7-32.6174.4-172.3-178.2-65.6151.15.1112.8C556 L558 G564 Y566 D572C556-R560 WeakPolarHBondContact O-CB 3.46Å; C556-R560 PolarHBondContact O-N 3.11Å; L558-R560 VanDerWaalsContact C-N 3.27Å; L558-R560 PolarHBondContact O-N 3.26Å; R560-G564 CarbonylContact O-C 3.35Å; R560-G564 WeakPolarHBondContact O-CA 3.37Å; R560-G564 PolarHBondContact O-N 2.95Å; R560-Y566 VanDerWaalsContact CZ-O 3.28Å; R560-Y566 PolarHBondContact NE-O 3.37Å; R560-Y566 PolarHBondContact NH2-O 3.46Å; R560-D572 IonicContact NH2-OD1 3.19Å; R560-D572 IonicContact NH2-OD2 2.78Å
561R81.5Confident80.2Confident129 Ų12941.9 Ų41.949%0.48720%0.197SC..Hα-helixtrans-75.9-34176-79.3-177.8178.5169.94.7112.8Y511 K557 L558 I559Y511-R561 HydrophobicContact CD1-CB 3.9Å; Y511-R561 HydrophobicContact CE1-CB 4.18Å; Y511-R561 HydrophobicContact CG-CB 4.42Å; Y511-R561 PolarHBondContact O-NH1 3.36Å; K557-R561 WeakPolarHBondContact O-CB 3.14Å; K557-R561 WeakPolarHBondContact O-CG 2.87Å; K557-R561 PolarHBondContact O-N 3.22Å; L558-R561 WeakPolarHBondContact O-CA 3.21Å; L558-R561 WeakPolarHBondContact O-CB 3.16Å; L558-R561 PolarHBondContact O-N 3.42Å; I559-R561 VanDerWaalsContact C-N 3.3Å; I559-R561 PolarHBondContact O-N 2.84Å
562M80.5Confident80Confident6 Ų643.7 Ų43.73%0.0321%0.209CC..Hα-helixtrans-76.9-52.3177.8-66176.171.800111.7Y511 L558 I559 L633 D636 M637 Q700Y511-M562 HydrophobicContact CE2-CG 3.73Å; Y511-M562 HydrophobicContact CE2-SD 4.38Å; L558-M562 HydrophobicContact CD1-SD 4.19Å; L558-M562 HydrophobicContact CG-SD 4.08Å; L558-M562 PolarHBondContact O-N 2.89Å; I559-M562 PolarHBondContact O-N 3.28Å; M562-L633 HydrophobicContact CB-CD2 4.21Å; M562-L633 HydrophobicContact CE-CB 4.37Å; M562-L633 HydrophobicContact CE-CD2 3.74Å; M562-L633 WeakPolarHBondContact CE-O 3.17Å; M562-L633 HydrophobicContact SD-CD2 3.96Å; M562-D636 HydrophobicContact CE-CB 3.42Å; M562-D636 VanDerWaalsContact CE-CB 3.42Å; M562-M637 HydrophobicContact CE-CG 4.06Å; M562-Q700 PolarHBondContact O-NE2 3.06Å
563L77.1Confident79.6Confident1 Ų148.4 Ų48.41%0.00523%0.232CC..Hα-helixtrans-83.1-14.3-179.8-70.7156.5000113.2I559 R565 I629 C632 L633 W689 F692 L697 Q700I559-L563 HydrophobicContact CG2-CD1 3.56Å; I559-L563 WeakPolarHBondContact O-CB 3.22Å; I559-L563 PolarHBondContact O-N 2.91Å; L563-R565 VanDerWaalsContact C-N 3.28Å; L563-R565 PolarHBondContact O-N 3.04Å; L563-I629 HydrophobicContact CD1-CG2 4.12Å; L563-I629 HydrophobicContact CD2-CG1 4.43Å; L563-C632 HydrophobicContact CD2-CB 3.61Å; L563-L633 HydrophobicContact CD1-CD2 4.42Å; L563-W689 HydrophobicContact CD1-CE3 4.15Å; L563-W689 HydrophobicContact CD1-CZ3 3.98Å; L563-F692 WeakPolarHBondContact O-CE2 3.43Å; L563-L697 HydrophobicContact CD2-CD2 4.13Å; L563-Q700 PolarHBondContact O-NE2 2.79Å; L563-Q700 PolarHBondContact O-OE1 3.49Å
564G72.9Confident79.2Confident47 Ų4747.9 Ų47.949%0.48523%0.228SC..SBendtrans87.6-44.7-178.100000113.9R560R560-G564 CarbonylContact O-C 3.35Å; R560-G564 WeakPolarHBondContact O-CA 3.37Å; R560-G564 PolarHBondContact O-N 2.95Å
565R74.3Confident78.7Confident143 Ų14349.3 Ų49.354%0.5424%0.237SC..  trans-134.1126.1175.3-55.5-180-175.51793.5110.4L563 F692L563-R565 VanDerWaalsContact C-N 3.28Å; L563-R565 PolarHBondContact O-N 3.04Å; R565-F692 HydrophobicContact CB-CD2 4.44Å; R565-F692 HydrophobicContact CB-CE2 3.59Å; R565-F692 HydrophobicContact CB-CZ 3.96Å; R565-F692 HydrophobicContact CG-CE2 4.09Å; R565-F692 HydrophobicContact CG-CZ 3.91Å
566Y78.3Confident77.9Confident1 Ų154.6 Ų54.60%0.00426%0.262CS..  trans-158.6134.2173.8176.8-112.8000108.9C556 I559 R560 N568 L688 W689C556-Y566 HydrophobicContact CB-CD1 4.41Å; C556-Y566 HydrophobicContact CB-CE1 4.31Å; C556-Y566 WeakPolarHBondContact SG-CD1 3.43Å; I559-Y566 HydrophobicContact CB-CD1 3.91Å; I559-Y566 HydrophobicContact CB-CE1 4.38Å; I559-Y566 HydrophobicContact CB-CG 4.36Å; I559-Y566 HydrophobicContact CD1-CE1 4.29Å; I559-Y566 HydrophobicContact CG2-CD1 3.54Å; I559-Y566 HydrophobicContact CG2-CD2 4.06Å; I559-Y566 HydrophobicContact CG2-CE1 4.06Å; I559-Y566 HydrophobicContact CG2-CG 3.54Å; R560-Y566 VanDerWaalsContact CZ-O 3.28Å; R560-Y566 PolarHBondContact NE-O 3.37Å; R560-Y566 PolarHBondContact NH2-O 3.46Å; Y566-N568 HydrophobicContact CE1-CB 4.08Å; Y566-N568 PolarHBondContact OH-ND2 3.12Å; Y566-L688 WeakPolarHBondContact CD2-O 3.4Å; Y566-W689 HydrophobicContact CD2-CD2 4.32Å; Y566-W689 AromaticContact CD2-CE3 3.37Å; Y566-W689 HydrophobicContact CD2-CE3 3.37Å; Y566-W689 HydrophobicContact CD2-CH2 4.37Å; Y566-W689 AromaticContact CD2-CZ3 3.39Å; Y566-W689 HydrophobicContact CD2-CZ3 3.39Å; Y566-W689 HydrophobicContact CE2-CD2 4.37Å; Y566-W689 AromaticContact CE2-CE3 3.61Å; Y566-W689 HydrophobicContact CE2-CE3 3.61Å; Y566-W689 AromaticContact CE2-CH2 3.84Å; Y566-W689 HydrophobicContact CE2-CH2 3.84Å; Y566-W689 AromaticContact CE2-CZ3 3.3Å; Y566-W689 HydrophobicContact CE2-CZ3 3.3Å; Y566-W689 HydrophobicContact CG-CE3 4.48Å; Y566-W689 HydrophobicContact CG-CZ3 4.39Å
567T70.4Confident77.2Confident74 Ų7459.3 Ų59.345%0.45429%0.291SS..  trans-141.2119.3179.554.90000109.8
568N76.2Confident76.6Confident15 Ų1555.9 Ų55.98%0.0828%0.277CS..  trans-132.3114.5170.2-171.8-24.8000108.5Y566 I570 Y571 D572 E599Y566-N568 HydrophobicContact CE1-CB 4.08Å; Y566-N568 PolarHBondContact OH-ND2 3.12Å; N568-I570 PolarHBondContact O-N 3.43Å; N568-I570 PolarHBondContact OD1-N 2.84Å; N568-I570 VanDerWaalsContact OD1-N 3.07Å; N568-Y571 HydrophobicContact CB-CD2 4.08Å; N568-Y571 HydrophobicContact CB-CG 4.37Å; N568-Y571 PolarHBondContact O-N 3.45Å; N568-Y571 VanDerWaalsContact O-N 3.15Å; N568-D572 PolarHBondContact O-N 3.04Å; N568-D572 VanDerWaalsContact O-N 3.16Å; N568-E599 PolarHBondContact ND2-OE1 3.28Å
569K75.9Confident75.8Confident187 Ų18758.2 Ų58.281%0.81329%0.288SS*.Hα-helixtrans-58.2-32.4-176.6-64-178.3-177.7175.90112M573K569-M573 WeakPolarHBondContact O-CG 3.42Å
570I77.9Confident74.9Confident36 Ų3661.5 Ų61.519%0.18532%0.321CS..Hα-helixtrans-71.6-41.9-178.9-56.4177.3000110.4F488 N568 M573 F593F488-I570 HydrophobicContact CD2-CG2 3.68Å; F488-I570 HydrophobicContact CE2-CG2 4.21Å; F488-I570 WeakPolarHBondContact CE2-O 3.41Å; N568-I570 PolarHBondContact O-N 3.43Å; N568-I570 PolarHBondContact OD1-N 2.84Å; N568-I570 VanDerWaalsContact OD1-N 3.07Å; I570-M573 WeakPolarHBondContact O-CB 3.36Å; I570-M573 PolarHBondContact O-N 2.86Å; I570-F593 HydrophobicContact CB-CE1 3.99Å; I570-F593 HydrophobicContact CD1-CD1 3.8Å; I570-F593 HydrophobicContact CD1-CE1 4.08Å; I570-F593 HydrophobicContact CG2-CD1 4.3Å; I570-F593 HydrophobicContact CG2-CE1 3.5Å; I570-F593 HydrophobicContact CG2-CZ 3.86Å
571Y78.9Confident74.4Confident0 Ų065 Ų650%033%0.334CS..Hα-helixtrans-66.2-39.5177.9-84.3-122.8000112.2L491 L552 S553 I555 C556 N568 M573 D574 F593 E599L491-Y571 HydrophobicContact CD2-CE2 4.03Å; L552-Y571 HydrophobicContact CB-CD1 3.8Å; L552-Y571 HydrophobicContact CB-CE1 4.29Å; L552-Y571 HydrophobicContact CB-CG 4.06Å; L552-Y571 HydrophobicContact CD2-CD1 3.86Å; L552-Y571 HydrophobicContact CD2-CD2 4.45Å; L552-Y571 HydrophobicContact CD2-CE1 3.49Å; L552-Y571 VanDerWaalsContact CD2-CE1 3.49Å; L552-Y571 HydrophobicContact CD2-CE2 4.16Å; L552-Y571 HydrophobicContact CD2-CG 4.31Å; L552-Y571 HydrophobicContact CG-CD1 4.49Å; L552-Y571 VanDerWaalsContact O-CD1 3.25Å; L552-Y571 WeakPolarHBondContact O-CD1 3.38Å; S553-Y571 WeakPolarHBondContact CA-O 3.46Å; S553-Y571 PolarHBondContact N-O 3.03Å; S553-Y571 VanDerWaalsContact N-O 3.16Å; I555-Y571 HydrophobicContact CB-CD1 4.41Å; I555-Y571 HydrophobicContact CB-CE1 4.2Å; I555-Y571 HydrophobicContact CG2-CD1 4.47Å; I555-Y571 HydrophobicContact CG2-CE1 3.88Å; C556-Y571 HydrophobicContact CB-CD1 3.97Å; C556-Y571 HydrophobicContact CB-CG 4.25Å; N568-Y571 HydrophobicContact CB-CD2 4.08Å; N568-Y571 HydrophobicContact CB-CG 4.37Å; N568-Y571 PolarHBondContact O-N 3.45Å; N568-Y571 VanDerWaalsContact O-N 3.15Å; Y571-M573 PolarHBondContact O-N 3.34Å; Y571-D574 PolarHBondContact O-N 2.86Å; Y571-D574 VanDerWaalsContact O-N 3.14Å; Y571-F593 HydrophobicContact CD2-CE1 4.3Å; Y571-F593 HydrophobicContact CE2-CE1 4.01Å; Y571-E599 WeakPolarHBondContact CE2-OE2 3.4Å; Y571-E599 PolarHBondContact OH-OE2 3.31Å
572D76.9Confident73.7Confident68 Ų6869.7 Ų69.736%0.36435%0.352SS..Hα-helixtrans-65.3-19.8-178.9-74.6-33.6000112.6R560 N568 D574R560-D572 IonicContact NH2-OD1 3.19Å; R560-D572 IonicContact NH2-OD2 2.78Å; N568-D572 PolarHBondContact O-N 3.04Å; N568-D572 VanDerWaalsContact O-N 3.16Å; D572-D574 VanDerWaalsContact C-N 3.32Å
573M76.1Confident73.1Confident98 Ų9872.7 Ų72.748%0.48338%0.378SS..THydrogen-bonded Turntrans-70.9-25.2174.9-71179146.800113.4K569 I570 Y571 T575 L591K569-M573 WeakPolarHBondContact O-CG 3.42Å; I570-M573 WeakPolarHBondContact O-CB 3.36Å; I570-M573 PolarHBondContact O-N 2.86Å; Y571-M573 PolarHBondContact O-N 3.34Å; M573-T575 PolarHBondContact O-N 3.45Å; M573-T575 VanDerWaalsContact O-N 3.14Å; M573-L591 HydrophobicContact SD-CD1 4.38Å
574D74.1Confident72.9Confident0 Ų075.7 Ų75.70%039%0.394CS..  trans-79.599.4-174-16416.5000112.5F488 H492 Y551 L552 S553 Y571 D572 H579F488-D574 HydrophobicContact CE2-CB 3.89Å; F488-D574 HydrophobicContact CZ-CB 3.42Å; F488-D574 VanDerWaalsContact CZ-CB 3.42Å; H492-D574 IonicContact CD2-OD2 3.74Å; H492-D574 PolarHBondContact CD2-OD2 2.91Å; H492-D574 IonicContact NE2-OD2 2.63Å; Y551-D574 WeakPolarHBondContact CA-OD2 3.42Å; L552-D574 HydrophobicContact CB-CB 3.65Å; L552-D574 WeakPolarHBondContact CB-OD2 3.4Å; L552-D574 HydrophobicContact CD1-CB 4.17Å; L552-D574 HydrophobicContact CG-CB 4.4Å; L552-D574 PolarHBondContact N-OD2 3.06Å; S553-D574 WeakPolarHBondContact CB-O 3.2Å; S553-D574 PolarHBondContact OG-O 3.08Å; Y571-D574 PolarHBondContact O-N 2.86Å; Y571-D574 VanDerWaalsContact O-N 3.14Å; D572-D574 VanDerWaalsContact C-N 3.32Å; D574-H579 IonicContact OD1-CD2 3.01Å; D574-H579 IonicContact OD1-NE2 2.96Å
575T72.6Confident72.9Confident54 Ų5475.4 Ų75.433%0.33138%0.378SS..  trans-133.1156.5-178.457.40000110.5M573 V577 L578 H579M573-T575 PolarHBondContact O-N 3.45Å; M573-T575 VanDerWaalsContact O-N 3.14Å; T575-V577 PolarHBondContact O-N 3.2Å; T575-V577 VanDerWaalsContact O-N 3.1Å; T575-L578 WeakPolarHBondContact O-CB 3.43Å; T575-L578 PolarHBondContact O-N 2.84Å; T575-H579 PolarHBondContact O-N 3.47Å
576E67.5Low72.9Confident110 Ų11071.5 Ų71.551%0.51437%0.373SS..Hα-helixtrans-48.8-39.4173.1-109.5179.4167.900112.6Y551 L578 H579 G580Y551-E576 HydrophobicContact CE1-CG 4.36Å; Y551-E576 HydrophobicContact CE2-CG 3.58Å; Y551-E576 VanDerWaalsContact CZ-CG 3.43Å; Y551-E576 WeakPolarHBondContact OH-CG 3.47Å; E576-L578 VanDerWaalsContact C-N 3.34Å; E576-L578 PolarHBondContact O-N 3.46Å; E576-H579 PolarHBondContact O-N 3.01Å; E576-G580 PolarHBondContact O-N 2.94Å
577V71Confident72.9Confident100 Ų10080.9 Ų80.961%0.60641%0.408SS*.Hα-helixtrans-64.5-38.4-178.7-176.40000111.7T575 H579 G580T575-V577 PolarHBondContact O-N 3.2Å; T575-V577 VanDerWaalsContact O-N 3.1Å; V577-H579 VanDerWaalsContact C-N 3.34Å; V577-H579 PolarHBondContact O-N 3.39Å; V577-G580 PolarHBondContact O-N 3.49Å
578L72.8Confident73.2Confident25 Ų2578.2 Ų78.213%0.13139%0.392CS..Hα-helixtrans-61.1-45178.3-172.882.2000110.8F488 T575 E576 G580 R581 D584 W585 V588F488-L578 HydrophobicContact CE1-CD2 4.23Å; F488-L578 HydrophobicContact CZ-CD2 4.33Å; T575-L578 WeakPolarHBondContact O-CB 3.43Å; T575-L578 PolarHBondContact O-N 2.84Å; E576-L578 VanDerWaalsContact C-N 3.34Å; E576-L578 PolarHBondContact O-N 3.46Å; L578-G580 PolarHBondContact O-N 2.69Å; L578-R581 PolarHBondContact O-N 3.14Å; L578-D584 HydrophobicContact CD1-CB 4.13Å; L578-W585 HydrophobicContact CD2-CE3 3.64Å; L578-W585 HydrophobicContact CD2-CZ3 3.85Å; L578-W585 HydrophobicContact CG-CE3 4.11Å; L578-V588 HydrophobicContact CD1-CG2 4.09Å; L578-V588 HydrophobicContact CD2-CB 4.24Å; L578-V588 HydrophobicContact CD2-CG1 4.01Å; L578-V588 HydrophobicContact CD2-CG2 4.47Å
579H66.9Low73.3Confident49 Ų4977.9 Ų77.923%0.22739%0.391CS..Hα-helixtrans-66.1-24.6178.9-83.3-74.3000113.8H492 Y551 D574 T575 E576 V577 R581 W585H492-H579 AromaticContact CE1-CE1 3.85Å; H492-H579 AromaticContact CE1-NE2 3.58Å; H492-H579 AromaticContact NE2-NE2 3.61Å; Y551-H579 AromaticContact CD1-CD2 3.92Å; Y551-H579 AromaticContact CE1-CD2 3.48Å; Y551-H579 VanDerWaalsContact CE1-CD2 3.48Å; Y551-H579 WeakPolarHBondContact CE1-CD2 3.23Å; Y551-H579 AromaticContact CE1-NE2 3.93Å; D574-H579 IonicContact OD1-CD2 3.01Å; D574-H579 IonicContact OD1-NE2 2.96Å; T575-H579 PolarHBondContact O-N 3.47Å; E576-H579 PolarHBondContact O-N 3.01Å; V577-H579 VanDerWaalsContact C-N 3.34Å; V577-H579 PolarHBondContact O-N 3.39Å; H579-R581 VanDerWaalsContact C-N 3.3Å; H579-W585 AromaticContact CD2-CZ3 3.72Å; H579-W585 AromaticContact CE1-CD2 3.99Å; H579-W585 AromaticContact CE1-CE2 3.92Å; H579-W585 AromaticContact CE1-CE3 3.51Å; H579-W585 AromaticContact CE1-CH2 2.95Å; H579-W585 WeakPolarHBondContact CE1-CH2 3.35Å; H579-W585 AromaticContact CE1-CZ2 3.46Å; H579-W585 VanDerWaalsContact CE1-CZ2 3.46Å; H579-W585 WeakPolarHBondContact CE1-CZ2 3.3Å; H579-W585 AromaticContact CE1-CZ3 2.94Å; H579-W585 WeakPolarHBondContact CE1-CZ3 3.27Å; H579-W585 AromaticContact CG-CE3 3.9Å; H579-W585 AromaticContact CG-CZ3 3.87Å; H579-W585 AromaticContact ND1-CD2 3.77Å; H579-W585 AromaticContact ND1-CE3 3.41Å; H579-W585 AromaticContact ND1-CH2 3.72Å; H579-W585 AromaticContact ND1-CZ3 3.37Å; H579-W585 WeakPolarHBondContact ND1-CZ3 3.47Å; H579-W585 AromaticContact NE2-CE3 3.99Å; H579-W585 AromaticContact NE2-CH2 3.42Å; H579-W585 WeakPolarHBondContact NE2-CH2 3.37Å; H579-W585 AromaticContact NE2-CZ3 3.18Å; H579-W585 WeakPolarHBondContact NE2-CZ3 3.4Å
580G66.9Low73.5Confident68 Ų6876.8 Ų76.870%0.70139%0.386SS*.Hα-helixtrans-71-21.817200000113.9E576 V577 L578E576-G580 PolarHBondContact O-N 2.94Å; V577-G580 PolarHBondContact O-N 3.49Å; L578-G580 PolarHBondContact O-N 2.69Å
581R73.8Confident73.8Confident154 Ų15478.4 Ų78.458%0.58140%0.395SS*.  trans-10894-178-69.5-174-178.7-177.51.1111.6L578 H579 A583 D584 W585L578-R581 PolarHBondContact O-N 3.14Å; H579-R581 VanDerWaalsContact C-N 3.3Å; R581-A583 VanDerWaalsContact C-N 3.27Å; R581-A583 PolarHBondContact O-N 2.96Å; R581-A583 VanDerWaalsContact O-N 3.14Å; R581-D584 HydrophobicContact CB-CB 4.15Å; R581-D584 WeakPolarHBondContact CD-OD2 3.33Å; R581-D584 IonicContact NH1-OD2 2.67Å; R581-D584 PolarHBondContact O-N 2.97Å; R581-D584 VanDerWaalsContact O-N 3.12Å; R581-W585 PolarHBondContact O-N 3.37Å
582R65.7Low74Confident227 Ų22781.7 Ų81.786%0.85742%0.415SS*.Hα-helixtrans-54.9-36.1-174.1-152173.7-168.3164.62.6114.5S586R582-S586 PolarHBondContact O-N 2.95Å; R582-S586 VanDerWaalsContact O-N 3.15Å
583A68.8Low74.3Confident70 Ų7078.6 Ų78.658%0.57940%0.398SS*.Hα-helixtrans-68.7-46.3178.600000112.2R581 S586R581-A583 VanDerWaalsContact C-N 3.27Å; R581-A583 PolarHBondContact O-N 2.96Å; R581-A583 VanDerWaalsContact O-N 3.14Å; A583-S586 PolarHBondContact O-N 3.37Å; A583-S586 PolarHBondContact O-OG 2.81Å
584D73.2Confident74.6Confident64 Ų6479.4 Ų79.434%0.34241%0.408SS..Hα-helixtrans-66.3-42.7178.9-64-26.4000110.6L578 R581 S586 R587 V588L578-D584 HydrophobicContact CD1-CB 4.13Å; R581-D584 HydrophobicContact CB-CB 4.15Å; R581-D584 WeakPolarHBondContact CD-OD2 3.33Å; R581-D584 IonicContact NH1-OD2 2.67Å; R581-D584 PolarHBondContact O-N 2.97Å; R581-D584 VanDerWaalsContact O-N 3.12Å; D584-S586 VanDerWaalsContact C-N 3.34Å; D584-S586 PolarHBondContact O-N 3.43Å; D584-R587 PolarHBondContact O-N 3.01Å; D584-V588 WeakPolarHBondContact O-CG2 3.49Å; D584-V588 PolarHBondContact O-N 3.19Å; D584-V588 VanDerWaalsContact O-N 3.13Å
585W73.2Confident75.1Confident41 Ų4180.6 Ų80.616%0.15542%0.417CS..Hα-helixtrans-55.1-46.7174.1-179.9-99.7000112.3F488 E489 L578 H579 R581 R587 V588 S589F488-W585 AromaticContact CD1-CH2 3.98Å; F488-W585 HydrophobicContact CD1-CH2 3.98Å; F488-W585 HydrophobicContact CD1-CZ3 4.23Å; F488-W585 HydrophobicContact CE1-CE3 4.39Å; F488-W585 AromaticContact CE1-CH2 3.58Å; F488-W585 HydrophobicContact CE1-CH2 3.58Å; F488-W585 AromaticContact CE1-CZ3 3.47Å; F488-W585 HydrophobicContact CE1-CZ3 3.47Å; F488-W585 VanDerWaalsContact CE1-CZ3 3.47Å; F488-W585 HydrophobicContact CZ-CZ3 4.43Å; E489-W585 HydrophobicContact CB-CZ2 4.3Å; E489-W585 HydrophobicContact CG-CZ2 4.3Å; L578-W585 HydrophobicContact CD2-CE3 3.64Å; L578-W585 HydrophobicContact CD2-CZ3 3.85Å; L578-W585 HydrophobicContact CG-CE3 4.11Å; H579-W585 AromaticContact CD2-CZ3 3.72Å; H579-W585 AromaticContact CE1-CD2 3.99Å; H579-W585 AromaticContact CE1-CE2 3.92Å; H579-W585 AromaticContact CE1-CE3 3.51Å; H579-W585 AromaticContact CE1-CH2 2.95Å; H579-W585 WeakPolarHBondContact CE1-CH2 3.35Å; H579-W585 AromaticContact CE1-CZ2 3.46Å; H579-W585 VanDerWaalsContact CE1-CZ2 3.46Å; H579-W585 WeakPolarHBondContact CE1-CZ2 3.3Å; H579-W585 AromaticContact CE1-CZ3 2.94Å; H579-W585 WeakPolarHBondContact CE1-CZ3 3.27Å; H579-W585 AromaticContact CG-CE3 3.9Å; H579-W585 AromaticContact CG-CZ3 3.87Å; H579-W585 AromaticContact ND1-CD2 3.77Å; H579-W585 AromaticContact ND1-CE3 3.41Å; H579-W585 AromaticContact ND1-CH2 3.72Å; H579-W585 AromaticContact ND1-CZ3 3.37Å; H579-W585 WeakPolarHBondContact ND1-CZ3 3.47Å; H579-W585 AromaticContact NE2-CE3 3.99Å; H579-W585 AromaticContact NE2-CH2 3.42Å; H579-W585 WeakPolarHBondContact NE2-CH2 3.37Å; H579-W585 AromaticContact NE2-CZ3 3.18Å; H579-W585 WeakPolarHBondContact NE2-CZ3 3.4Å; R581-W585 PolarHBondContact O-N 3.37Å; W585-R587 PolarHBondContact O-N 3.39Å; W585-R587 VanDerWaalsContact O-N 3.17Å; W585-V588 PolarHBondContact O-N 3.14Å; W585-S589 VanDerWaalsContact O-CB 3.23Å; W585-S589 WeakPolarHBondContact O-CB 3.19Å; W585-S589 PolarHBondContact O-N 3.34Å; W585-S589 PolarHBondContact O-OG 2.93Å
586S74Confident76Confident61 Ų6178.5 Ų78.543%0.42740%0.404SS..Hα-helixtrans-62.7-24.6-177.473.30000114.4R582 A583 D584 S589R582-S586 PolarHBondContact O-N 2.95Å; R582-S586 VanDerWaalsContact O-N 3.15Å; A583-S586 PolarHBondContact O-N 3.37Å; A583-S586 PolarHBondContact O-OG 2.81Å; D584-S586 VanDerWaalsContact C-N 3.34Å; D584-S586 PolarHBondContact O-N 3.43Å; S586-S589 PolarHBondContact O-OG 3.16Å
587R77.7Confident77.2Confident197 Ų19775.3 Ų75.374%0.74339%0.388SS*.Hα-helixtrans-81.6-45.9174.6-72177.566-171.61.5111.1D584 W585D584-R587 PolarHBondContact O-N 3.01Å; W585-R587 PolarHBondContact O-N 3.39Å; W585-R587 VanDerWaalsContact O-N 3.17Å
588V77.5Confident78.2Confident18 Ų1871 Ų7111%0.10936%0.362CS..Hα-helixtrans-71.9-34.5-176.8179.40000111.2F488 L578 D584 W585 K590 L591F488-V588 WeakPolarHBondContact CB-O 3.25Å; F488-V588 HydrophobicContact CD1-CG1 3.84Å; F488-V588 HydrophobicContact CD2-CG1 4.36Å; F488-V588 HydrophobicContact CE1-CG1 3.73Å; F488-V588 HydrophobicContact CE2-CG1 4.27Å; F488-V588 HydrophobicContact CG-CG1 4.12Å; F488-V588 HydrophobicContact CZ-CG1 3.93Å; L578-V588 HydrophobicContact CD1-CG2 4.09Å; L578-V588 HydrophobicContact CD2-CB 4.24Å; L578-V588 HydrophobicContact CD2-CG1 4.01Å; L578-V588 HydrophobicContact CD2-CG2 4.47Å; D584-V588 WeakPolarHBondContact O-CG2 3.49Å; D584-V588 PolarHBondContact O-N 3.19Å; D584-V588 VanDerWaalsContact O-N 3.13Å; W585-V588 PolarHBondContact O-N 3.14Å; V588-K590 PolarHBondContact O-N 3.25Å; V588-K590 VanDerWaalsContact O-N 3.1Å; V588-L591 HydrophobicContact CB-CD1 4.27Å; V588-L591 HydrophobicContact CG1-CD1 3.96Å; V588-L591 HydrophobicContact CG2-CD1 4.48Å; V588-L591 WeakPolarHBondContact O-CB 3.48Å; V588-L591 PolarHBondContact O-N 3.17Å
589S78.1Confident79.1Confident9 Ų970 Ų706%0.06336%0.356CS..THydrogen-bonded Turntrans-58.7-28.5-17768.30000114T487 E489 W585 S586T487-S589 WeakPolarHBondContact CB-O 3.41Å; E489-S589 PolarHBondContact N-O 3.23Å; W585-S589 VanDerWaalsContact O-CB 3.23Å; W585-S589 WeakPolarHBondContact O-CB 3.19Å; W585-S589 PolarHBondContact O-N 3.34Å; W585-S589 PolarHBondContact O-OG 2.93Å; S586-S589 PolarHBondContact O-OG 3.16Å
590K80.5Confident80.4Confident163 Ų16367.7 Ų67.771%0.70935%0.346SS*.THydrogen-bonded Turntrans-89.3-4.7-179.8-62.1-176.7-178-178.30114V588 T592V588-K590 PolarHBondContact O-N 3.25Å; V588-K590 VanDerWaalsContact O-N 3.1Å; K590-T592 PolarHBondContact O-N 3.14Å
591L84Confident81.7Confident71 Ų7164.4 Ų64.437%0.37231%0.312SS..  trans-63.9134.6176.6-74.6162.2000110T487 F488 M573 V588T487-L591 CarbonylContact C-O 3.49Å; T487-L591 WeakPolarHBondContact CA-O 3.02Å; F488-L591 PolarHBondContact N-O 3.03Å; M573-L591 HydrophobicContact SD-CD1 4.38Å; V588-L591 HydrophobicContact CB-CD1 4.27Å; V588-L591 HydrophobicContact CG1-CD1 3.96Å; V588-L591 HydrophobicContact CG2-CD1 4.48Å; V588-L591 WeakPolarHBondContact O-CB 3.48Å; V588-L591 PolarHBondContact O-N 3.17Å
592T83.1Confident82.6Confident68 Ų6857.1 Ų57.142%0.41729%0.285SS..BIsolated β-bridgetrans-104.9151.9176.853.50000110.7R483 T487 K590R483-T592 WeakPolarHBondContact O-CB 3.37Å; R483-T592 WeakPolarHBondContact O-CG2 3.49Å; T487-T592 HydrophobicContact CG2-CG2 4.39Å; K590-T592 PolarHBondContact O-N 3.14Å
593F83.8Confident83.9Confident4 Ų446.3 Ų46.32%0.01824%0.244CC..  trans-84.3148.2178.4-61.7-89.5000111.5L486 F488 L491 I570 Y571 E599L486-F593 HydrophobicContact CD2-CD2 3.85Å; L486-F593 HydrophobicContact CD2-CE2 4.46Å; L486-F593 HydrophobicContact CD2-CG 4.45Å; L486-F593 HydrophobicContact CG-CD2 3.94Å; L486-F593 HydrophobicContact CG-CE2 4.34Å; L486-F593 WeakPolarHBondContact O-CD2 3.49Å; F488-F593 HydrophobicContact CD2-CZ 4.48Å; L491-F593 HydrophobicContact CB-CE2 4.03Å; L491-F593 HydrophobicContact CB-CZ 4.3Å; L491-F593 HydrophobicContact CD2-CE1 4.02Å; L491-F593 HydrophobicContact CD2-CE2 3.72Å; L491-F593 HydrophobicContact CD2-CZ 3.4Å; L491-F593 VanDerWaalsContact CD2-CZ 3.4Å; I570-F593 HydrophobicContact CB-CE1 3.99Å; I570-F593 HydrophobicContact CD1-CD1 3.8Å; I570-F593 HydrophobicContact CD1-CE1 4.08Å; I570-F593 HydrophobicContact CG2-CD1 4.3Å; I570-F593 HydrophobicContact CG2-CE1 3.5Å; I570-F593 HydrophobicContact CG2-CZ 3.86Å; Y571-F593 HydrophobicContact CD2-CE1 4.3Å; Y571-F593 HydrophobicContact CE2-CE1 4.01Å; F593-E599 HydrophobicContact CB-CG 4.21Å; F593-E599 HydrophobicContact CD1-CG 3.76Å; F593-E599 HydrophobicContact CE1-CG 4.31Å; F593-E599 HydrophobicContact CG-CG 3.94Å
594V81.3Confident85Confident114 Ų11443 Ų4369%0.69122%0.216SC*.SBendtrans-67.3-45.6175.9-179.50000110.1P596V594-P596 WeakPolarHBondContact O-CD 3.46Å
595S85.4Confident86Confident25 Ų2539.9 Ų39.918%0.17520%0.2CC..SBendtrans-117.180.2179.642.80000110.7F597 Q598S595-F597 PolarHBondContact O-N 3.31Å; S595-Q598 WeakPolarHBondContact O-CB 3.39Å; S595-Q598 PolarHBondContact O-N 3.36Å; S595-Q598 PolarHBondContact OG-OE1 3Å
596P91Very high86.8Confident10 Ų1038 Ų387%0.06519%0.193CC..Hα-helixtrans-64.4-34.8-174.126.5-36.5000113.8M482 R483 L486 V594 Q598 E599 L600M482-P596 HydrophobicContact CB-CB 4.37Å; M482-P596 HydrophobicContact CB-CG 4.16Å; M482-P596 HydrophobicContact CG-CB 4.34Å; R483-P596 HydrophobicContact CB-CG 4.38Å; L486-P596 HydrophobicContact CB-CB 3.89Å; L486-P596 HydrophobicContact CD2-CB 3.7Å; L486-P596 WeakPolarHBondContact CD2-O 3.47Å; L486-P596 HydrophobicContact CG-CB 4.46Å; V594-P596 WeakPolarHBondContact O-CD 3.46Å; P596-Q598 VanDerWaalsContact C-N 3.31Å; P596-Q598 PolarHBondContact O-N 3.23Å; P596-E599 PolarHBondContact O-N 3.2Å; P596-L600 WeakPolarHBondContact O-CG 3.29Å; P596-L600 PolarHBondContact O-N 2.92Å; P596-L600 VanDerWaalsContact O-N 3.12Å
597F93.2Very high87.4Confident43 Ų4335.8 Ų35.819%0.18918%0.175CC..Hα-helixtrans-65.7-34178.8-66.4-68000112.5L476 M482 S595 L600 F601 F616 R619L476-F597 HydrophobicContact CD1-CE1 4.26Å; M482-F597 HydrophobicContact CB-CE1 3.99Å; M482-F597 HydrophobicContact CB-CE2 4.21Å; M482-F597 HydrophobicContact CB-CZ 3.71Å; M482-F597 HydrophobicContact CG-CD1 4.49Å; M482-F597 HydrophobicContact CG-CE1 4Å; M482-F597 HydrophobicContact CG-CZ 4.24Å; S595-F597 PolarHBondContact O-N 3.31Å; F597-L600 PolarHBondContact O-N 3.19Å; F597-F601 WeakPolarHBondContact O-CB 2.81Å; F597-F601 PolarHBondContact O-N 2.85Å; F597-F616 HydrophobicContact CD1-CD1 4.02Å; F597-R619 HydrophobicContact CD1-CB 4.03Å; F597-R619 HydrophobicContact CD2-CB 4.15Å; F597-R619 WeakPolarHBondContact CD2-O 3.27Å; F597-R619 HydrophobicContact CE1-CB 4.13Å; F597-R619 HydrophobicContact CE2-CB 4.25Å; F597-R619 HydrophobicContact CG-CB 4.05Å; F597-R619 HydrophobicContact CZ-CB 4.24Å
598Q91.7Very high87.9Confident10 Ų1029.6 Ų29.65%0.04716%0.155CC..Hα-helixtrans-61.7-43.6174.4170.2178.3-500111.5S595 P596 F601 L602 L626 W689S595-Q598 WeakPolarHBondContact O-CB 3.39Å; S595-Q598 PolarHBondContact O-N 3.36Å; S595-Q598 PolarHBondContact OG-OE1 3Å; P596-Q598 VanDerWaalsContact C-N 3.31Å; P596-Q598 PolarHBondContact O-N 3.23Å; Q598-F601 WeakPolarHBondContact O-CB 3.39Å; Q598-F601 PolarHBondContact O-N 3.05Å; Q598-L602 WeakPolarHBondContact O-CG 3.38Å; Q598-L602 PolarHBondContact O-N 2.84Å; Q598-L626 HydrophobicContact CB-CD1 4.32Å; Q598-L626 HydrophobicContact CB-CD2 4.47Å; Q598-L626 HydrophobicContact CG-CD2 3.86Å; Q598-W689 HydrophobicContact CG-CZ2 4.14Å
599E91.3Very high88.5Confident4 Ų429.2 Ų29.22%0.01915%0.151CC..Hα-helixtrans-69.6-39.5-179.3-57.7-60.7172.600111.8L486 L491 N568 Y571 F593 P596 F601 L602 W603L486-E599 HydrophobicContact CD2-CB 3.94Å; L491-E599 HydrophobicContact CD1-CB 4.43Å; L491-E599 HydrophobicContact CD2-CB 4.09Å; N568-E599 PolarHBondContact ND2-OE1 3.28Å; Y571-E599 WeakPolarHBondContact CE2-OE2 3.4Å; Y571-E599 PolarHBondContact OH-OE2 3.31Å; F593-E599 HydrophobicContact CB-CG 4.21Å; F593-E599 HydrophobicContact CD1-CG 3.76Å; F593-E599 HydrophobicContact CE1-CG 4.31Å; F593-E599 HydrophobicContact CG-CG 3.94Å; P596-E599 PolarHBondContact O-N 3.2Å; E599-F601 VanDerWaalsContact C-N 3.34Å; E599-L602 PolarHBondContact O-N 3.17Å; E599-W603 PolarHBondContact O-N 2.99Å
600L93.7Very high89.1Confident0 Ų029.7 Ų29.70%015%0.152CC..Hα-helixtrans-67.7-34.6174.3-70.8167.5000112.5L464 M482 L486 L494 P596 F597 W603 A604 F616L464-L600 HydrophobicContact CD1-CD2 4.24Å; M482-L600 HydrophobicContact CE-CD1 3.3Å; M482-L600 HydrophobicContact CG-CD1 3.85Å; M482-L600 HydrophobicContact SD-CD1 4.4Å; L486-L600 HydrophobicContact CD1-CD1 4.47Å; L486-L600 HydrophobicContact CD1-CD2 3.84Å; L486-L600 HydrophobicContact CD1-CG 4.13Å; L486-L600 HydrophobicContact CD2-CD1 4.42Å; L486-L600 HydrophobicContact CD2-CG 4.04Å; L494-L600 HydrophobicContact CD1-CD2 3.68Å; P596-L600 WeakPolarHBondContact O-CG 3.29Å; P596-L600 PolarHBondContact O-N 2.92Å; P596-L600 VanDerWaalsContact O-N 3.12Å; F597-L600 PolarHBondContact O-N 3.19Å; L600-W603 HydrophobicContact CD2-CE3 4.47Å; L600-W603 PolarHBondContact O-N 2.75Å; L600-A604 VanDerWaalsContact O-CB 3.27Å; L600-A604 WeakPolarHBondContact O-CB 3.42Å; L600-A604 PolarHBondContact O-N 3.22Å; L600-F616 HydrophobicContact CB-CD2 3.6Å; L600-F616 HydrophobicContact CB-CE2 3.64Å; L600-F616 HydrophobicContact CB-CG 4.06Å; L600-F616 HydrophobicContact CB-CZ 4.17Å; L600-F616 HydrophobicContact CD1-CE1 4.35Å; L600-F616 HydrophobicContact CD1-CZ 4.32Å
601F94.9Very high89.7Confident0 Ų029.6 Ų29.60%015%0.152CC..Hα-helixtrans-61.9-47.7172.9171.3-101.2000111.5F597 Q598 E599 W603 A604 I605 A613 F616 W617 L626 A630 F659F597-F601 WeakPolarHBondContact O-CB 2.81Å; F597-F601 PolarHBondContact O-N 2.85Å; Q598-F601 WeakPolarHBondContact O-CB 3.39Å; Q598-F601 PolarHBondContact O-N 3.05Å; E599-F601 VanDerWaalsContact C-N 3.34Å; F601-W603 VanDerWaalsContact C-N 3.35Å; F601-W603 PolarHBondContact O-N 2.92Å; F601-A604 PolarHBondContact O-N 3.31Å; F601-I605 HydrophobicContact CD1-CD1 3.71Å; F601-I605 HydrophobicContact CD2-CD1 4.1Å; F601-I605 HydrophobicContact CE1-CD1 3.28Å; F601-I605 HydrophobicContact CE2-CD1 3.7Å; F601-I605 HydrophobicContact CE2-CG1 4.43Å; F601-I605 HydrophobicContact CG-CD1 4.14Å; F601-I605 HydrophobicContact CZ-CD1 3.33Å; F601-I605 HydrophobicContact CZ-CG1 4.47Å; F601-I605 WeakPolarHBondContact O-CG1 3.45Å; F601-I605 PolarHBondContact O-N 3.33Å; F601-A613 HydrophobicContact CD2-CB 4.06Å; F601-A613 VanDerWaalsContact CD2-O 3.31Å; F601-A613 WeakPolarHBondContact CD2-O 3.48Å; F601-A613 HydrophobicContact CE2-CB 4.23Å; F601-F616 HydrophobicContact CB-CB 4.12Å; F601-W617 HydrophobicContact CD2-CB 3.98Å; F601-W617 HydrophobicContact CE2-CB 3.74Å; F601-W617 HydrophobicContact CE2-CG 4.29Å; F601-L626 HydrophobicContact CD1-CB 4.3Å; F601-L626 HydrophobicContact CD1-CD2 3.75Å; F601-L626 HydrophobicContact CD1-CG 4.46Å; F601-L626 HydrophobicContact CE1-CB 3.75Å; F601-L626 HydrophobicContact CE1-CD2 3.82Å; F601-L626 HydrophobicContact CE1-CG 4.33Å; F601-L626 WeakPolarHBondContact CE1-O 3.37Å; F601-L626 HydrophobicContact CZ-CB 4.02Å; F601-L626 VanDerWaalsContact CZ-O 3.28Å; F601-L626 WeakPolarHBondContact CZ-O 3.16Å; F601-A630 HydrophobicContact CE1-CB 4.35Å; F601-A630 HydrophobicContact CZ-CB 3.73Å; F601-F659 AromaticContact CE2-CE1 3.8Å; F601-F659 HydrophobicContact CE2-CE1 3.8Å; F601-F659 AromaticContact CE2-CZ 3.86Å; F601-F659 HydrophobicContact CE2-CZ 3.86Å; F601-F659 HydrophobicContact CZ-CE1 4.18Å; F601-F659 HydrophobicContact CZ-CZ 4.41Å
602L92.2Very high90.2Very high0 Ų026.3 Ų26.30%014%0.135CC..Hα-helixtrans-61.4-43.9176.4-67.7168.2000111.8I559 Q598 E599 I605 L606 I629 L633 W689I559-L602 HydrophobicContact CD1-CD1 4.3Å; Q598-L602 WeakPolarHBondContact O-CG 3.38Å; Q598-L602 PolarHBondContact O-N 2.84Å; E599-L602 PolarHBondContact O-N 3.17Å; L602-I605 PolarHBondContact O-N 2.69Å; L602-L606 WeakPolarHBondContact O-CB 3.34Å; L602-L606 VanDerWaalsContact O-CG 3.3Å; L602-L606 WeakPolarHBondContact O-CG 3.28Å; L602-L606 PolarHBondContact O-N 3.38Å; L602-I629 HydrophobicContact CD2-CG2 4.23Å; L602-L633 HydrophobicContact CD2-CD1 3.87Å; L602-W689 HydrophobicContact CD1-CH2 3.74Å; L602-W689 HydrophobicContact CD2-CH2 3.78Å; L602-W689 HydrophobicContact CG-CH2 4.23Å
603W92.7Very high90.7Very high0 Ų023 Ų230%012%0.115CC..Hα-helixtrans-59.9-46174167.681.9000111.7L464 L494 Y495 E599 L600 F601 I605 L606 Y607 R609 M612 F616L464-W603 HydrophobicContact CB-CH2 4.04Å; L464-W603 HydrophobicContact CB-CZ3 4.49Å; L464-W603 HydrophobicContact CD2-CZ3 4.17Å; L464-W603 WeakPolarHBondContact O-CH2 3.43Å; L494-W603 HydrophobicContact CB-CZ2 4.39Å; L494-W603 HydrophobicContact CD2-CH2 4.3Å; L494-W603 HydrophobicContact CD2-CZ2 4Å; L494-W603 PolarHBondContact O-NE1 3.45Å; Y495-W603 AromaticContact CD1-CD1 3.78Å; Y495-W603 HydrophobicContact CE1-CB 4.16Å; Y495-W603 AromaticContact CE1-CD1 3.78Å; Y495-W603 HydrophobicContact CE1-CG 4.37Å; Y495-W603 HydrophobicContact CE2-CB 4.16Å; Y495-W603 WeakPolarHBondContact OH-CA 3.49Å; Y495-W603 PolarHBondContact OH-N 3.29Å; E599-W603 PolarHBondContact O-N 2.99Å; L600-W603 HydrophobicContact CD2-CE3 4.47Å; L600-W603 PolarHBondContact O-N 2.75Å; F601-W603 VanDerWaalsContact C-N 3.35Å; F601-W603 PolarHBondContact O-N 2.92Å; W603-I605 PolarHBondContact O-N 3.17Å; W603-L606 PolarHBondContact O-N 3.35Å; W603-Y607 AromaticContact CD1-CD2 3.73Å; W603-Y607 AromaticContact CD1-CE2 3.91Å; W603-Y607 HydrophobicContact CG-CD2 4.47Å; W603-Y607 AromaticContact NE1-CD2 3.61Å; W603-Y607 AromaticContact NE1-CE2 3.79Å; W603-Y607 WeakPolarHBondContact O-CD2 3.43Å; W603-Y607 PolarHBondContact O-N 3.37Å; W603-Y607 VanDerWaalsContact O-N 3.14Å; W603-R609 VanDerWaalsContact CZ2-NH1 3.31Å; W603-M612 HydrophobicContact CH2-SD 4.05Å; W603-M612 HydrophobicContact CZ3-SD 3.6Å; W603-F616 HydrophobicContact CZ3-CE2 4.47Å
604A93.7Very high91.2Very high0 Ų024 Ų240%012%0.12CC..Hα-helixtrans-61.5-42.3179.800000111.9L600 F601 Y607 Q608 R609 M612 A613 F616L600-A604 VanDerWaalsContact O-CB 3.27Å; L600-A604 WeakPolarHBondContact O-CB 3.42Å; L600-A604 PolarHBondContact O-N 3.22Å; F601-A604 PolarHBondContact O-N 3.31Å; A604-Y607 CarbonylContact O-C 3.57Å; A604-Y607 PolarHBondContact O-N 2.99Å; A604-Q608 PolarHBondContact O-N 2.69Å; A604-Q608 VanDerWaalsContact O-N 3.16Å; A604-R609 HydrophobicContact CB-CB 4.27Å; A604-R609 PolarHBondContact O-N 3.1Å; A604-M612 HydrophobicContact CB-CB 4.34Å; A604-M612 HydrophobicContact CB-CG 4.47Å; A604-A613 HydrophobicContact CB-CB 3.9Å; A604-F616 HydrophobicContact CB-CD2 4.32Å
605I92.3Very high91.8Very high0 Ų019 Ų190%09%0.089CC..Hα-helixtrans-63.1-48.1176.8-72.1169.4000111.4F601 L602 W603 Y607 Q608 A613 A630 L633 Y634 M637F601-I605 HydrophobicContact CD1-CD1 3.71Å; F601-I605 HydrophobicContact CD2-CD1 4.1Å; F601-I605 HydrophobicContact CE1-CD1 3.28Å; F601-I605 HydrophobicContact CE2-CD1 3.7Å; F601-I605 HydrophobicContact CE2-CG1 4.43Å; F601-I605 HydrophobicContact CG-CD1 4.14Å; F601-I605 HydrophobicContact CZ-CD1 3.33Å; F601-I605 HydrophobicContact CZ-CG1 4.47Å; F601-I605 WeakPolarHBondContact O-CG1 3.45Å; F601-I605 PolarHBondContact O-N 3.33Å; L602-I605 PolarHBondContact O-N 2.69Å; W603-I605 PolarHBondContact O-N 3.17Å; I605-Y607 PolarHBondContact O-N 3.31Å; I605-Q608 PolarHBondContact O-N 3.13Å; I605-A613 HydrophobicContact CG1-CB 3.93Å; I605-A630 HydrophobicContact CD1-CB 3.58Å; I605-L633 HydrophobicContact CG2-CB 3.93Å; I605-L633 HydrophobicContact CG2-CD1 4.03Å; I605-Y634 HydrophobicContact CG1-CE2 4.25Å; I605-Y634 HydrophobicContact CG2-CD1 4.29Å; I605-Y634 HydrophobicContact CG2-CE1 3.92Å; I605-Y634 HydrophobicContact CG2-CE2 4.34Å; I605-M637 HydrophobicContact CG2-CE 3.53Å
606L89.9Confident92.3Very high1 Ų117.8 Ų17.81%0.0058%0.08CC..Hα-helixtrans-64-23.3-178.4-72173.8000112.9Y495 L504 I555 L558 L602 W603Y495-L606 HydrophobicContact CE1-CD1 3.87Å; L504-L606 HydrophobicContact CD1-CB 4.3Å; L504-L606 HydrophobicContact CD1-CD1 4.4Å; L504-L606 HydrophobicContact CD1-CD2 4.28Å; I555-L606 HydrophobicContact CG2-CD1 3.99Å; L558-L606 HydrophobicContact CD2-CD2 4.27Å; L602-L606 WeakPolarHBondContact O-CB 3.34Å; L602-L606 VanDerWaalsContact O-CG 3.3Å; L602-L606 WeakPolarHBondContact O-CG 3.28Å; L602-L606 PolarHBondContact O-N 3.38Å; W603-L606 PolarHBondContact O-N 3.35Å
607Y88.2Confident92.5Very high15 Ų1518.3 Ų18.36%0.0598%0.081CC..THydrogen-bonded Turntrans-9910.6173.1-83.6-87.3000114.1Y495 S498 L504 W603 A604 I605 R609Y495-Y607 AromaticContact CD1-CE2 3.93Å; Y495-Y607 HydrophobicContact CD1-CE2 3.93Å; Y495-Y607 HydrophobicContact CE1-CE2 4.45Å; Y495-Y607 PolarHBondContact O-OH 3.5Å; S498-Y607 WeakPolarHBondContact OG-CE1 3.48Å; S498-Y607 VanDerWaalsContact OG-CE2 3.29Å; S498-Y607 WeakPolarHBondContact OG-CE2 3.35Å; S498-Y607 PolarHBondContact OG-OH 3.38Å; L504-Y607 HydrophobicContact CD2-CE2 3.71Å; W603-Y607 AromaticContact CD1-CD2 3.73Å; W603-Y607 AromaticContact CD1-CE2 3.91Å; W603-Y607 HydrophobicContact CG-CD2 4.47Å; W603-Y607 AromaticContact NE1-CD2 3.61Å; W603-Y607 AromaticContact NE1-CE2 3.79Å; W603-Y607 WeakPolarHBondContact O-CD2 3.43Å; W603-Y607 PolarHBondContact O-N 3.37Å; W603-Y607 VanDerWaalsContact O-N 3.14Å; A604-Y607 CarbonylContact O-C 3.57Å; A604-Y607 PolarHBondContact O-N 2.99Å; I605-Y607 PolarHBondContact O-N 3.31Å; Y607-R609 PolarHBondContact O-N 3.44Å
608Q86.5Confident92.5Very high67 Ų6722.2 Ų22.231%0.31310%0.1SC..THydrogen-bonded Turntrans56.131.4-179.2-58.7170.622.800114.5D503 A604 I605 H610 Y652D503-Q608 PolarHBondContact OD2-NE2 3.13Å; A604-Q608 PolarHBondContact O-N 2.69Å; A604-Q608 VanDerWaalsContact O-N 3.16Å; I605-Q608 PolarHBondContact O-N 3.13Å; Q608-H610 VanDerWaalsContact C-N 3.3Å; Q608-H610 PolarHBondContact O-N 3.31Å; Q608-H610 VanDerWaalsContact O-N 3.12Å; Q608-Y652 HydrophobicContact CG-CE1 4Å; Q608-Y652 VanDerWaalsContact CG-OH 3.29Å; Q608-Y652 WeakPolarHBondContact CG-OH 3.48Å; Q608-Y652 PolarHBondContact NE2-OH 3.24Å
609R90.4Very high92.4Very high10 Ų1026.4 Ų26.44%0.03812%0.115CC..  trans-90.568179.1-61.4177.4-179.6-155.9-5.2109.7L464 L465 W603 A604 Y607 K611 M612 A613L464-R609 PolarHBondContact O-NH1 3.28Å; L465-R609 PolarHBondContact O-NH1 3.04Å; L465-R609 PolarHBondContact O-NH2 3.05Å; W603-R609 VanDerWaalsContact CZ2-NH1 3.31Å; A604-R609 HydrophobicContact CB-CB 4.27Å; A604-R609 PolarHBondContact O-N 3.1Å; Y607-R609 PolarHBondContact O-N 3.44Å; R609-K611 PolarHBondContact O-N 3.38Å; R609-M612 HydrophobicContact CB-CB 3.97Å; R609-M612 WeakPolarHBondContact O-CA 3.47Å; R609-M612 WeakPolarHBondContact O-CB 3.47Å; R609-M612 PolarHBondContact O-N 3.32Å; R609-A613 PolarHBondContact O-N 3.29Å
610H91.9Very high92.3Very high18 Ų1827 Ų278%0.08312%0.12CC..Hα-helixtrans-55.4-50.3-169.9-173.960000114.1Q608 M612 A613 L614 Y655 E658 F659Q608-H610 VanDerWaalsContact C-N 3.3Å; Q608-H610 PolarHBondContact O-N 3.31Å; Q608-H610 VanDerWaalsContact O-N 3.12Å; H610-M612 PolarHBondContact O-N 3.04Å; H610-A613 WeakPolarHBondContact O-CB 3.25Å; H610-A613 PolarHBondContact O-N 3.37Å; H610-A613 VanDerWaalsContact O-N 3.09Å; H610-L614 PolarHBondContact O-N 3.3Å; H610-Y655 HydrophobicContact CB-CD1 4.14Å; H610-Y655 HydrophobicContact CB-CD2 4.38Å; H610-Y655 HydrophobicContact CB-CE1 3.91Å; H610-Y655 HydrophobicContact CB-CE2 4.15Å; H610-Y655 HydrophobicContact CB-CG 4.39Å; H610-Y655 AromaticContact CD2-CD1 3.49Å; H610-Y655 VanDerWaalsContact CD2-CD1 3.49Å; H610-Y655 WeakPolarHBondContact CD2-CD1 3.33Å; H610-Y655 AromaticContact CD2-CE1 3.64Å; H610-Y655 AromaticContact CE1-CD1 3.77Å; H610-Y655 AromaticContact CE1-CG 3.97Å; H610-Y655 AromaticContact CG-CD1 3.52Å; H610-Y655 AromaticContact CG-CE1 3.7Å; H610-Y655 AromaticContact CG-CG 3.88Å; H610-Y655 AromaticContact ND1-CD1 3.74Å; H610-Y655 AromaticContact ND1-CG 3.72Å; H610-Y655 AromaticContact NE2-CD1 3.63Å; H610-E658 IonicContact CD2-OE2 2.63Å; H610-E658 IonicContact CE1-OE2 3.24Å; H610-E658 IonicContact NE2-OE2 2.69Å; H610-E658 PolarHBondContact NE2-OE2 3.18Å; H610-F659 AromaticContact CE1-CD2 3.9Å; H610-F659 AromaticContact CE1-CE2 3.39Å; H610-F659 WeakPolarHBondContact CE1-CE2 3.31Å; H610-F659 AromaticContact ND1-CE2 3.54Å
611K92.5Very high91.9Very high162 Ų16234.5 Ų34.570%0.70416%0.16SC*.Hα-helixtrans-57-36.5176-75.3-174.4175.3-177.20113T469 R609 Y615T469-K611 HydrophobicContact CG2-CB 4.13Å; R609-K611 PolarHBondContact O-N 3.38Å; K611-Y615 PolarHBondContact O-N 3.3Å
612M93.6Very high91.4Very high1 Ų137 Ų371%0.00517%0.173CC..Hα-helixtrans-74.9-37.7179.3-165.5167.9-80.600111.1L464 T469 V472 W603 A604 R609 H610 Y615 F616L464-M612 HydrophobicContact CD2-SD 4.04Å; T469-M612 HydrophobicContact CG2-CB 3.58Å; T469-M612 HydrophobicContact CG2-CE 3.71Å; T469-M612 HydrophobicContact CG2-CG 4.05Å; V472-M612 HydrophobicContact CG2-CE 4.17Å; W603-M612 HydrophobicContact CH2-SD 4.05Å; W603-M612 HydrophobicContact CZ3-SD 3.6Å; A604-M612 HydrophobicContact CB-CB 4.34Å; A604-M612 HydrophobicContact CB-CG 4.47Å; R609-M612 HydrophobicContact CB-CB 3.97Å; R609-M612 WeakPolarHBondContact O-CA 3.47Å; R609-M612 WeakPolarHBondContact O-CB 3.47Å; R609-M612 PolarHBondContact O-N 3.32Å; H610-M612 PolarHBondContact O-N 3.04Å; M612-Y615 PolarHBondContact O-N 3.31Å; M612-F616 HydrophobicContact CG-CD2 4.04Å; M612-F616 HydrophobicContact CG-CE2 3.35Å; M612-F616 HydrophobicContact CG-CZ 3.7Å; M612-F616 VanDerWaalsContact O-CD2 3.25Å; M612-F616 WeakPolarHBondContact O-CD2 3.28Å; M612-F616 WeakPolarHBondContact O-CG 3.43Å; M612-F616 PolarHBondContact O-N 3.19Å; M612-F616 HydrophobicContact SD-CE2 3.98Å; M612-F616 HydrophobicContact SD-CZ 4.17Å
613A94.8Very high91.3Very high0 Ų038 Ų380%018%0.182CC..Hα-helixtrans-61.8-47.4173.100000111.4F601 A604 I605 R609 H610 Y615 F616 W617 F659F601-A613 HydrophobicContact CD2-CB 4.06Å; F601-A613 VanDerWaalsContact CD2-O 3.31Å; F601-A613 WeakPolarHBondContact CD2-O 3.48Å; F601-A613 HydrophobicContact CE2-CB 4.23Å; A604-A613 HydrophobicContact CB-CB 3.9Å; I605-A613 HydrophobicContact CG1-CB 3.93Å; R609-A613 PolarHBondContact O-N 3.29Å; H610-A613 WeakPolarHBondContact O-CB 3.25Å; H610-A613 PolarHBondContact O-N 3.37Å; H610-A613 VanDerWaalsContact O-N 3.09Å; A613-Y615 VanDerWaalsContact C-N 3.3Å; A613-Y615 PolarHBondContact O-N 3.02Å; A613-F616 PolarHBondContact O-N 2.85Å; A613-W617 VanDerWaalsContact O-CB 3.32Å; A613-W617 WeakPolarHBondContact O-CB 3.34Å; A613-W617 PolarHBondContact O-N 3.2Å; A613-F659 HydrophobicContact CB-CZ 4.26Å
614L94.9Very high91.3Very high25 Ų2538.4 Ų38.413%0.13118%0.184CC..Hα-helixtrans-55.2-46.1174.7-73.6170.2000111.7H610 F616 W617 E618 E658 F659 L662H610-L614 PolarHBondContact O-N 3.3Å; L614-F616 VanDerWaalsContact C-N 3.35Å; L614-F616 PolarHBondContact O-N 3.39Å; L614-W617 WeakPolarHBondContact O-CB 3.31Å; L614-W617 PolarHBondContact O-N 3.06Å; L614-E618 WeakPolarHBondContact O-CG 3.43Å; L614-E618 PolarHBondContact O-N 3.22Å; L614-E658 WeakPolarHBondContact CD1-OE1 3.29Å; L614-F659 HydrophobicContact CD2-CE1 3.87Å; L614-F659 HydrophobicContact CD2-CE2 4.42Å; L614-F659 HydrophobicContact CD2-CZ 3.8Å; L614-F659 HydrophobicContact CG-CZ 4.19Å; L614-L662 HydrophobicContact CD2-CD1 3.53Å
615Y93.9Very high91Very high8 Ų838.9 Ų38.93%0.03119%0.187CC..Hα-helixtrans-63.7-37.3179.6-178.8-102.3000113.6V472 R473 L476 K611 M612 A613 R619V472-Y615 HydrophobicContact CG1-CE1 4.17Å; R473-Y615 WeakPolarHBondContact CA-OH 3.49Å; R473-Y615 HydrophobicContact CB-CE2 3.96Å; R473-Y615 HydrophobicContact CG-CE2 3.84Å; L476-Y615 HydrophobicContact CD1-CE1 3.63Å; L476-Y615 WeakPolarHBondContact CD1-OH 3.09Å; K611-Y615 PolarHBondContact O-N 3.3Å; M612-Y615 PolarHBondContact O-N 3.31Å; A613-Y615 VanDerWaalsContact C-N 3.3Å; A613-Y615 PolarHBondContact O-N 3.02Å; Y615-R619 PolarHBondContact OH-NE 3.2Å; Y615-R619 PolarHBondContact OH-NH1 2.91Å
616F94.5Very high91Very high0 Ų038.9 Ų38.90%019%0.187CC..Hα-helixtrans-76-30.1175.2-63.2-36.2000112.9L464 V472 F597 L600 F601 W603 A604 M612 A613 L614 R619 S620L464-F616 HydrophobicContact CD2-CE2 4.27Å; L464-F616 HydrophobicContact CD2-CZ 3.6Å; V472-F616 HydrophobicContact CG1-CE1 3.97Å; V472-F616 HydrophobicContact CG1-CZ 4.22Å; F597-F616 HydrophobicContact CD1-CD1 4.02Å; L600-F616 HydrophobicContact CB-CD2 3.6Å; L600-F616 HydrophobicContact CB-CE2 3.64Å; L600-F616 HydrophobicContact CB-CG 4.06Å; L600-F616 HydrophobicContact CB-CZ 4.17Å; L600-F616 HydrophobicContact CD1-CE1 4.35Å; L600-F616 HydrophobicContact CD1-CZ 4.32Å; F601-F616 HydrophobicContact CB-CB 4.12Å; W603-F616 HydrophobicContact CZ3-CE2 4.47Å; A604-F616 HydrophobicContact CB-CD2 4.32Å; M612-F616 HydrophobicContact CG-CD2 4.04Å; M612-F616 HydrophobicContact CG-CE2 3.35Å; M612-F616 HydrophobicContact CG-CZ 3.7Å; M612-F616 VanDerWaalsContact O-CD2 3.25Å; M612-F616 WeakPolarHBondContact O-CD2 3.28Å; M612-F616 WeakPolarHBondContact O-CG 3.43Å; M612-F616 PolarHBondContact O-N 3.19Å; M612-F616 HydrophobicContact SD-CE2 3.98Å; M612-F616 HydrophobicContact SD-CZ 4.17Å; A613-F616 PolarHBondContact O-N 2.85Å; L614-F616 VanDerWaalsContact C-N 3.35Å; L614-F616 PolarHBondContact O-N 3.39Å; F616-R619 PolarHBondContact O-N 3.35Å; F616-S620 PolarHBondContact O-N 3.09Å
617W95Very high91.2Very high20 Ų2038.9 Ų38.98%0.07619%0.187CC..Hα-helixtrans-62.6-46.5174.317580.9000111.8F601 A613 L614 R619 S620 A623 A627 F659 L662 V666F601-W617 HydrophobicContact CD2-CB 3.98Å; F601-W617 HydrophobicContact CE2-CB 3.74Å; F601-W617 HydrophobicContact CE2-CG 4.29Å; A613-W617 VanDerWaalsContact O-CB 3.32Å; A613-W617 WeakPolarHBondContact O-CB 3.34Å; A613-W617 PolarHBondContact O-N 3.2Å; L614-W617 WeakPolarHBondContact O-CB 3.31Å; L614-W617 PolarHBondContact O-N 3.06Å; W617-R619 PolarHBondContact O-N 3.36Å; W617-S620 WeakPolarHBondContact O-CB 3.02Å; W617-S620 PolarHBondContact O-N 2.88Å; W617-S620 PolarHBondContact O-OG 2.89Å; W617-A623 HydrophobicContact CZ2-CB 3.99Å; W617-A623 PolarHBondContact NE1-O 3.39Å; W617-A627 HydrophobicContact CZ2-CB 4.49Å; W617-F659 HydrophobicContact CB-CE1 4.27Å; W617-F659 HydrophobicContact CG-CE1 4.09Å; W617-L662 HydrophobicContact CE3-CD1 4.2Å; W617-L662 HydrophobicContact CH2-CB 3.76Å; W617-L662 HydrophobicContact CH2-CD1 4.23Å; W617-L662 HydrophobicContact CH2-CD2 3.96Å; W617-L662 HydrophobicContact CH2-CG 4.2Å; W617-L662 HydrophobicContact CZ2-CB 3.94Å; W617-L662 HydrophobicContact CZ3-CB 4.35Å; W617-L662 HydrophobicContact CZ3-CD1 3.98Å; W617-L662 HydrophobicContact CZ3-CD2 3.95Å; W617-L662 HydrophobicContact CZ3-CG 4.32Å; W617-V666 HydrophobicContact CH2-CG2 3.96Å; W617-V666 HydrophobicContact CZ2-CG2 4.05Å
618E93.4Very high91.4Very high125 Ų12538.1 Ų38.158%0.58418%0.184SC*.THydrogen-bonded Turntrans-56.6-23.1176.9-72.3173.5-175.300113.8L614L614-E618 WeakPolarHBondContact O-CG 3.43Å; L614-E618 PolarHBondContact O-N 3.22Å
619R90.9Very high91.7Very high98 Ų9835 Ų3537%0.3717%0.169SC..THydrogen-bonded Turntrans-105.92.7-177-73.6175.9145.161.56.7113.7F597 Y615 F616 W617F597-R619 HydrophobicContact CD1-CB 4.03Å; F597-R619 HydrophobicContact CD2-CB 4.15Å; F597-R619 WeakPolarHBondContact CD2-O 3.27Å; F597-R619 HydrophobicContact CE1-CB 4.13Å; F597-R619 HydrophobicContact CE2-CB 4.25Å; F597-R619 HydrophobicContact CG-CB 4.05Å; F597-R619 HydrophobicContact CZ-CB 4.24Å; Y615-R619 PolarHBondContact OH-NE 3.2Å; Y615-R619 PolarHBondContact OH-NH1 2.91Å; F616-R619 PolarHBondContact O-N 3.35Å; W617-R619 PolarHBondContact O-N 3.36Å
620S89Confident91.8Very high16 Ų1634.5 Ų34.511%0.11217%0.167CC..  trans-87146.2-178.369.30000111.4F616 W617 D622 L626F616-S620 PolarHBondContact O-N 3.09Å; W617-S620 WeakPolarHBondContact O-CB 3.02Å; W617-S620 PolarHBondContact O-N 2.88Å; W617-S620 PolarHBondContact O-OG 2.89Å; S620-D622 VanDerWaalsContact C-N 3.3Å; S620-D622 PolarHBondContact O-N 2.84Å; S620-L626 VanDerWaalsContact OG-CD1 3.25Å; S620-L626 WeakPolarHBondContact OG-CD1 3.49Å
621D84.7Confident91.9Very high159 Ų15933.6 Ų33.685%0.8516%0.163SC*.THydrogen-bonded Turntrans-72.8-24.8179.9-55.7-41.1000112.5
622D85Confident91.8Very high51 Ų5126.1 Ų26.127%0.27313%0.131SC..THydrogen-bonded Turntrans-119.555.1-176.1-169.56.7000111.1S620 L624 T625 L626S620-D622 VanDerWaalsContact C-N 3.3Å; S620-D622 PolarHBondContact O-N 2.84Å; D622-L624 VanDerWaalsContact C-N 3.31Å; D622-L624 PolarHBondContact O-N 3.21Å; D622-T625 VanDerWaalsContact CG-CB 3.46Å; D622-T625 VanDerWaalsContact CG-OG1 3.24Å; D622-T625 PolarHBondContact O-N 3.27Å; D622-T625 WeakPolarHBondContact OD1-CB 3.49Å; D622-T625 PolarHBondContact OD1-N 3.21Å; D622-T625 PolarHBondContact OD1-OG1 3.12Å; D622-T625 VanDerWaalsContact OD2-CB 3.29Å; D622-T625 WeakPolarHBondContact OD2-CB 3.32Å; D622-T625 PolarHBondContact OD2-OG1 3.29Å; D622-L626 WeakPolarHBondContact O-CB 3.32Å; D622-L626 WeakPolarHBondContact O-CD1 3.1Å; D622-L626 VanDerWaalsContact O-CG 3.26Å; D622-L626 WeakPolarHBondContact O-CG 3.47Å; D622-L626 PolarHBondContact O-N 3.24Å
623A90.3Very high91.7Very high23 Ų2326.1 Ų26.119%0.1913%0.131CC..Hα-helixtrans-58.6-40.6-174.300000112.4W617 L626 A627W617-A623 HydrophobicContact CZ2-CB 3.99Å; W617-A623 PolarHBondContact NE1-O 3.39Å; A623-L626 PolarHBondContact O-N 3.09Å; A623-A627 WeakPolarHBondContact O-CB 3.38Å; A623-A627 PolarHBondContact O-N 3.48Å
624L91Very high91.6Very high7 Ų726.1 Ų26.14%0.03713%0.131CC..Hα-helixtrans-60.8-52.7-179.1-178.765.6000111.8D622 L626 A627 L628 A663 L667 L681 F706D622-L624 VanDerWaalsContact C-N 3.31Å; D622-L624 PolarHBondContact O-N 3.21Å; L624-L626 VanDerWaalsContact C-N 3.3Å; L624-L626 PolarHBondContact O-N 3.28Å; L624-A627 PolarHBondContact O-N 2.88Å; L624-L628 PolarHBondContact O-N 3.33Å; L624-A663 HydrophobicContact CD1-CB 4.06Å; L624-A663 WeakPolarHBondContact CD1-O 3.3Å; L624-L667 HydrophobicContact CD1-CB 4.23Å; L624-L667 HydrophobicContact CD2-CD1 4.04Å; L624-L681 HydrophobicContact CD2-CD2 3.34Å; L624-L681 HydrophobicContact CD2-CG 4.3Å; L624-F706 HydrophobicContact CD1-CE2 3.77Å; L624-F706 HydrophobicContact CD1-CZ 3.98Å
625T89.3Confident91.4Very high10 Ų1026 Ų266%0.06113%0.132CC..Hα-helixtrans-65-38.2-178.9-48.10000110.7D622 L628 I629 W689 L697D622-T625 VanDerWaalsContact CG-CB 3.46Å; D622-T625 VanDerWaalsContact CG-OG1 3.24Å; D622-T625 PolarHBondContact O-N 3.27Å; D622-T625 WeakPolarHBondContact OD1-CB 3.49Å; D622-T625 PolarHBondContact OD1-N 3.21Å; D622-T625 PolarHBondContact OD1-OG1 3.12Å; D622-T625 VanDerWaalsContact OD2-CB 3.29Å; D622-T625 WeakPolarHBondContact OD2-CB 3.32Å; D622-T625 PolarHBondContact OD2-OG1 3.29Å; T625-L628 PolarHBondContact O-N 3.4Å; T625-I629 HydrophobicContact CG2-CD1 3.89Å; T625-I629 WeakPolarHBondContact O-CD1 3.18Å; T625-I629 VanDerWaalsContact O-CG1 3.25Å; T625-I629 WeakPolarHBondContact O-CG1 3.44Å; T625-I629 PolarHBondContact O-N 2.67Å; T625-W689 HydrophobicContact CG2-CG 4.45Å; T625-L697 HydrophobicContact CG2-CD1 3.54Å
626L92.1Very high91.1Very high1 Ų126.8 Ų26.81%0.00514%0.137CC..Hα-helixtrans-66.3-38.8179-73.4169.9000113.2Q598 F601 S620 D622 A623 L624 L628 I629 A630 W689Q598-L626 HydrophobicContact CB-CD1 4.32Å; Q598-L626 HydrophobicContact CB-CD2 4.47Å; Q598-L626 HydrophobicContact CG-CD2 3.86Å; F601-L626 HydrophobicContact CD1-CB 4.3Å; F601-L626 HydrophobicContact CD1-CD2 3.75Å; F601-L626 HydrophobicContact CD1-CG 4.46Å; F601-L626 HydrophobicContact CE1-CB 3.75Å; F601-L626 HydrophobicContact CE1-CD2 3.82Å; F601-L626 HydrophobicContact CE1-CG 4.33Å; F601-L626 WeakPolarHBondContact CE1-O 3.37Å; F601-L626 HydrophobicContact CZ-CB 4.02Å; F601-L626 VanDerWaalsContact CZ-O 3.28Å; F601-L626 WeakPolarHBondContact CZ-O 3.16Å; S620-L626 VanDerWaalsContact OG-CD1 3.25Å; S620-L626 WeakPolarHBondContact OG-CD1 3.49Å; D622-L626 WeakPolarHBondContact O-CB 3.32Å; D622-L626 WeakPolarHBondContact O-CD1 3.1Å; D622-L626 VanDerWaalsContact O-CG 3.26Å; D622-L626 WeakPolarHBondContact O-CG 3.47Å; D622-L626 PolarHBondContact O-N 3.24Å; A623-L626 PolarHBondContact O-N 3.09Å; L624-L626 VanDerWaalsContact C-N 3.3Å; L624-L626 PolarHBondContact O-N 3.28Å; L626-L628 VanDerWaalsContact C-N 3.33Å; L626-L628 PolarHBondContact O-N 3.44Å; L626-I629 PolarHBondContact O-N 3.09Å; L626-A630 PolarHBondContact O-N 3.35Å; L626-W689 HydrophobicContact CD2-CZ2 3.85Å
627A93.8Very high90.7Very high0 Ų027 Ų270%014%0.138CC..Hα-helixtrans-59.9-45.2173.900000111.2W617 A623 L624 I629 A630 C631 F659 A663W617-A627 HydrophobicContact CZ2-CB 4.49Å; A623-A627 WeakPolarHBondContact O-CB 3.38Å; A623-A627 PolarHBondContact O-N 3.48Å; L624-A627 PolarHBondContact O-N 2.88Å; A627-I629 VanDerWaalsContact C-N 3.33Å; A627-I629 PolarHBondContact O-N 3.23Å; A627-A630 WeakPolarHBondContact O-CB 3.28Å; A627-A630 PolarHBondContact O-N 2.92Å; A627-C631 PolarHBondContact O-N 2.71Å; A627-C631 PolarHBondContact O-SG 3.14Å; A627-F659 HydrophobicContact CB-CD1 4.21Å; A627-A663 HydrophobicContact CB-CB 3.78Å
628L92.4Very high90.4Very high0 Ų027 Ų270%014%0.14CC..Hα-helixtrans-65.6-35.4177-65.2175.3000112.7L624 T625 L626 C631 C632 A663 C694 L697 A698 F706L624-L628 PolarHBondContact O-N 3.33Å; T625-L628 PolarHBondContact O-N 3.4Å; L626-L628 VanDerWaalsContact C-N 3.33Å; L626-L628 PolarHBondContact O-N 3.44Å; L628-C631 WeakPolarHBondContact O-CB 3.46Å; L628-C631 PolarHBondContact O-N 3.18Å; L628-C632 PolarHBondContact O-N 2.95Å; L628-C632 PolarHBondContact O-SG 3.49Å; L628-A663 HydrophobicContact CD2-CB 4.29Å; L628-C694 HydrophobicContact CD1-CB 3.77Å; L628-C694 WeakPolarHBondContact CD1-O 3.43Å; L628-L697 HydrophobicContact CB-CB 4.09Å; L628-L697 HydrophobicContact CB-CD1 4.5Å; L628-L697 HydrophobicContact CD1-CB 4.38Å; L628-A698 HydrophobicContact CD2-CB 4.21Å; L628-F706 HydrophobicContact CD1-CE1 3.92Å; L628-F706 HydrophobicContact CD1-CE2 4.46Å; L628-F706 HydrophobicContact CD1-CZ 3.86Å; L628-F706 HydrophobicContact CD2-CD1 4.07Å; L628-F706 HydrophobicContact CD2-CD2 4.02Å; L628-F706 HydrophobicContact CD2-CE1 4.19Å; L628-F706 HydrophobicContact CD2-CE2 4.17Å; L628-F706 HydrophobicContact CD2-CG 3.96Å; L628-F706 HydrophobicContact CD2-CZ 4.24Å; L628-F706 HydrophobicContact CG-CZ 4.47Å
629I91.6Very high90Very high0 Ų027.6 Ų27.60%014%0.141CC..Hα-helixtrans-66.9-39.8174.2-70.5161.7000110.8L563 L602 T625 L626 A627 C631 C632 L633 W689 L697L563-I629 HydrophobicContact CD1-CG2 4.12Å; L563-I629 HydrophobicContact CD2-CG1 4.43Å; L602-I629 HydrophobicContact CD2-CG2 4.23Å; T625-I629 HydrophobicContact CG2-CD1 3.89Å; T625-I629 WeakPolarHBondContact O-CD1 3.18Å; T625-I629 VanDerWaalsContact O-CG1 3.25Å; T625-I629 WeakPolarHBondContact O-CG1 3.44Å; T625-I629 PolarHBondContact O-N 2.67Å; L626-I629 PolarHBondContact O-N 3.09Å; A627-I629 VanDerWaalsContact C-N 3.33Å; A627-I629 PolarHBondContact O-N 3.23Å; I629-C631 VanDerWaalsContact C-N 3.31Å; I629-C631 PolarHBondContact O-N 3.17Å; I629-C632 WeakPolarHBondContact O-CB 3Å; I629-C632 PolarHBondContact O-N 3.44Å; I629-L633 HydrophobicContact CG2-CD1 3.83Å; I629-L633 HydrophobicContact CG2-CG 4.13Å; I629-L633 WeakPolarHBondContact O-CB 3.4Å; I629-L633 VanDerWaalsContact O-CG 3.32Å; I629-L633 WeakPolarHBondContact O-CG 3.26Å; I629-L633 PolarHBondContact O-N 3.01Å; I629-W689 HydrophobicContact CD1-CD2 3.23Å; I629-W689 HydrophobicContact CD1-CE3 3.62Å; I629-W689 HydrophobicContact CD1-CG 3.69Å; I629-W689 HydrophobicContact CD1-CH2 3.8Å; I629-W689 HydrophobicContact CD1-CZ2 3.41Å; I629-W689 VanDerWaalsContact CD1-CZ2 3.41Å; I629-W689 HydrophobicContact CD1-CZ3 3.89Å; I629-W689 HydrophobicContact CG1-CD2 4.41Å; I629-W689 HydrophobicContact CG1-CE3 4.45Å; I629-W689 HydrophobicContact CG2-CH2 4.24Å; I629-W689 HydrophobicContact CG2-CZ3 4.3Å; I629-L697 HydrophobicContact CG1-CD1 4.18Å; I629-L697 HydrophobicContact CG1-CD2 4.44Å
630A93.6Very high89.6Confident0 Ų024.1 Ų24.10%013%0.129CC..Hα-helixtrans-58.9-44.6171.800000111.4F601 I605 L626 A627 C632 L633 Y634 F659F601-A630 HydrophobicContact CE1-CB 4.35Å; F601-A630 HydrophobicContact CZ-CB 3.73Å; I605-A630 HydrophobicContact CD1-CB 3.58Å; L626-A630 PolarHBondContact O-N 3.35Å; A627-A630 WeakPolarHBondContact O-CB 3.28Å; A627-A630 PolarHBondContact O-N 2.92Å; A630-C632 VanDerWaalsContact C-N 3.31Å; A630-C632 PolarHBondContact O-N 2.8Å; A630-L633 PolarHBondContact O-N 3.25Å; A630-Y634 HydrophobicContact CB-CD2 4.27Å; A630-Y634 HydrophobicContact CB-CE2 4.31Å; A630-Y634 WeakPolarHBondContact O-CB 3.4Å; A630-Y634 VanDerWaalsContact O-CD2 3.29Å; A630-Y634 WeakPolarHBondContact O-CD2 3.29Å; A630-Y634 PolarHBondContact O-N 3.16Å; A630-F659 HydrophobicContact CB-CB 4.26Å; A630-F659 HydrophobicContact CB-CD1 4.04Å; A630-F659 HydrophobicContact CB-CD2 3.68Å; A630-F659 HydrophobicContact CB-CE1 4.32Å; A630-F659 HydrophobicContact CB-CE2 4Å; A630-F659 HydrophobicContact CB-CG 3.72Å; A630-F659 HydrophobicContact CB-CZ 4.3Å
631C93.2Very high89.2Confident0 Ų024.2 Ų24.20%013%0.129CC..Hα-helixtrans-56.7-45174.2-61.60000111.5A627 L628 I629 T635 V656 R703A627-C631 PolarHBondContact O-N 2.71Å; A627-C631 PolarHBondContact O-SG 3.14Å; L628-C631 WeakPolarHBondContact O-CB 3.46Å; L628-C631 PolarHBondContact O-N 3.18Å; I629-C631 VanDerWaalsContact C-N 3.31Å; I629-C631 PolarHBondContact O-N 3.17Å; C631-T635 WeakPolarHBondContact O-CB 3.17Å; C631-T635 PolarHBondContact O-N 3.11Å; C631-T635 PolarHBondContact O-OG1 2.96Å; C631-V656 HydrophobicContact CB-CG1 4.13Å; C631-R703 HydrophobicContact CB-CG 4.25Å
632C91.2Very high88.9Confident5 Ų517.6 Ų17.63%0.03410%0.095CC..Hα-helixtrans-61.7-50.1176.9-64.80000112.1L563 L628 I629 A630 T635 D636 L697 S701L563-C632 HydrophobicContact CD2-CB 3.61Å; L628-C632 PolarHBondContact O-N 2.95Å; L628-C632 PolarHBondContact O-SG 3.49Å; I629-C632 WeakPolarHBondContact O-CB 3Å; I629-C632 PolarHBondContact O-N 3.44Å; A630-C632 VanDerWaalsContact C-N 3.31Å; A630-C632 PolarHBondContact O-N 2.8Å; C632-T635 PolarHBondContact O-N 3.36Å; C632-D636 PolarHBondContact O-N 3.46Å; C632-L697 PolarHBondContact SG-O 3Å; C632-S701 VanDerWaalsContact SG-CB 3.6Å
633L91.3Very high88.6Confident0 Ų021.3 Ų21.30%012%0.119CC..Hα-helixtrans-65.8-45.8-176.3-68.2177000111.8M562 L563 L602 I605 I629 A630 D636 M637M562-L633 HydrophobicContact CB-CD2 4.21Å; M562-L633 HydrophobicContact CE-CB 4.37Å; M562-L633 HydrophobicContact CE-CD2 3.74Å; M562-L633 WeakPolarHBondContact CE-O 3.17Å; M562-L633 HydrophobicContact SD-CD2 3.96Å; L563-L633 HydrophobicContact CD1-CD2 4.42Å; L602-L633 HydrophobicContact CD2-CD1 3.87Å; I605-L633 HydrophobicContact CG2-CB 3.93Å; I605-L633 HydrophobicContact CG2-CD1 4.03Å; I629-L633 HydrophobicContact CG2-CD1 3.83Å; I629-L633 HydrophobicContact CG2-CG 4.13Å; I629-L633 WeakPolarHBondContact O-CB 3.4Å; I629-L633 VanDerWaalsContact O-CG 3.32Å; I629-L633 WeakPolarHBondContact O-CG 3.26Å; I629-L633 PolarHBondContact O-N 3.01Å; A630-L633 PolarHBondContact O-N 3.25Å; L633-D636 PolarHBondContact O-N 3.06Å; L633-M637 HydrophobicContact CB-CE 4.28Å; L633-M637 WeakPolarHBondContact O-CB 3.37Å; L633-M637 VanDerWaalsContact O-CG 3.3Å; L633-M637 WeakPolarHBondContact O-CG 3.32Å; L633-M637 PolarHBondContact O-N 3.38Å
634Y92.3Very high88.2Confident0 Ų029.3 Ų29.30%015%0.146CC..Hα-helixtrans-66.8-37176.6-74.1-50.4000112.8I605 A630 D636 M637 S638 Y652 Y655 V656 F659I605-Y634 HydrophobicContact CG1-CE2 4.25Å; I605-Y634 HydrophobicContact CG2-CD1 4.29Å; I605-Y634 HydrophobicContact CG2-CE1 3.92Å; I605-Y634 HydrophobicContact CG2-CE2 4.34Å; A630-Y634 HydrophobicContact CB-CD2 4.27Å; A630-Y634 HydrophobicContact CB-CE2 4.31Å; A630-Y634 WeakPolarHBondContact O-CB 3.4Å; A630-Y634 VanDerWaalsContact O-CD2 3.29Å; A630-Y634 WeakPolarHBondContact O-CD2 3.29Å; A630-Y634 PolarHBondContact O-N 3.16Å; Y634-D636 VanDerWaalsContact C-N 3.34Å; Y634-D636 PolarHBondContact O-N 3.17Å; Y634-M637 HydrophobicContact CD1-CE 3.42Å; Y634-M637 VanDerWaalsContact CD1-CE 3.42Å; Y634-M637 HydrophobicContact CE1-CE 3.82Å; Y634-M637 HydrophobicContact CG-CE 4.26Å; Y634-M637 PolarHBondContact O-N 3.31Å; Y634-S638 WeakPolarHBondContact O-CB 3.25Å; Y634-S638 PolarHBondContact O-N 3.48Å; Y634-Y652 AromaticContact CD1-CD1 3.42Å; Y634-Y652 HydrophobicContact CD1-CD1 3.42Å; Y634-Y652 VanDerWaalsContact CD1-CD1 3.42Å; Y634-Y652 AromaticContact CD1-CE1 3.52Å; Y634-Y652 HydrophobicContact CD1-CE1 3.52Å; Y634-Y652 HydrophobicContact CE1-CD1 4.07Å; Y634-Y652 AromaticContact CE1-CE1 3.91Å; Y634-Y652 HydrophobicContact CE1-CE1 3.91Å; Y634-Y652 HydrophobicContact CG-CD1 4.17Å; Y634-Y655 HydrophobicContact CE1-CD2 4.13Å; Y634-V656 VanDerWaalsContact CB-CG2 3.44Å; Y634-V656 HydrophobicContact CG-CG2 4.49Å; Y634-F659 HydrophobicContact CD2-CD2 4.26Å; Y634-F659 AromaticContact CE2-CD2 3.86Å; Y634-F659 HydrophobicContact CE2-CD2 3.86Å; Y634-F659 AromaticContact CE2-CE2 3.69Å; Y634-F659 HydrophobicContact CE2-CE2 3.69Å
635T90.6Very high87.8Confident24 Ų2431.5 Ų31.515%0.14716%0.158CC..Hα-helixtrans-61.6-44.3175.5-61.80000111C631 C632 S638 K639C631-T635 WeakPolarHBondContact O-CB 3.17Å; C631-T635 PolarHBondContact O-N 3.11Å; C631-T635 PolarHBondContact O-OG1 2.96Å; C632-T635 PolarHBondContact O-N 3.36Å; T635-S638 PolarHBondContact O-N 2.64Å; T635-K639 WeakPolarHBondContact O-CG 3.4Å; T635-K639 PolarHBondContact O-N 3.49Å
636D87.2Confident87.5Confident24 Ų2435.7 Ų35.713%0.12818%0.183CC..Hα-helixtrans-71.1-36.7177.2-81.5-6.8000112.4M562 C632 L633 Y634 S638 K639 L640M562-D636 HydrophobicContact CE-CB 3.42Å; M562-D636 VanDerWaalsContact CE-CB 3.42Å; C632-D636 PolarHBondContact O-N 3.46Å; L633-D636 PolarHBondContact O-N 3.06Å; Y634-D636 VanDerWaalsContact C-N 3.34Å; Y634-D636 PolarHBondContact O-N 3.17Å; D636-S638 VanDerWaalsContact C-N 3.32Å; D636-S638 PolarHBondContact O-N 3.15Å; D636-K639 PolarHBondContact O-N 3.07Å; D636-K639 IonicContact OD1-NZ 3.64Å; D636-K639 PolarHBondContact OD1-NZ 3.35Å; D636-L640 VanDerWaalsContact O-CG 3.32Å; D636-L640 WeakPolarHBondContact O-CG 3.5Å; D636-L640 PolarHBondContact O-N 3.42Å
637M87.6Confident87.2Confident5 Ų541.4 Ų41.43%0.02521%0.21CC..Hα-helixtrans-63-38.4172.5-73.6-170.7-74.900112.3M562 I605 L633 Y634 K639 L640 Y652M562-M637 HydrophobicContact CE-CG 4.06Å; I605-M637 HydrophobicContact CG2-CE 3.53Å; L633-M637 HydrophobicContact CB-CE 4.28Å; L633-M637 WeakPolarHBondContact O-CB 3.37Å; L633-M637 VanDerWaalsContact O-CG 3.3Å; L633-M637 WeakPolarHBondContact O-CG 3.32Å; L633-M637 PolarHBondContact O-N 3.38Å; Y634-M637 HydrophobicContact CD1-CE 3.42Å; Y634-M637 VanDerWaalsContact CD1-CE 3.42Å; Y634-M637 HydrophobicContact CE1-CE 3.82Å; Y634-M637 HydrophobicContact CG-CE 4.26Å; Y634-M637 PolarHBondContact O-N 3.31Å; M637-K639 VanDerWaalsContact C-N 3.34Å; M637-K639 PolarHBondContact O-N 2.95Å; M637-L640 WeakPolarHBondContact O-CB 2.88Å; M637-L640 PolarHBondContact O-N 2.73Å; M637-L640 VanDerWaalsContact O-N 3.09Å; M637-Y652 HydrophobicContact CB-CE1 4.28Å
638S88.1Confident86.7Confident18 Ų1842 Ų4213%0.12622%0.216CC..Hα-helixtrans-60-41.3174.5178.60000112.4Y634 T635 D636 L640 L641Y634-S638 WeakPolarHBondContact O-CB 3.25Å; Y634-S638 PolarHBondContact O-N 3.48Å; T635-S638 PolarHBondContact O-N 2.64Å; D636-S638 VanDerWaalsContact C-N 3.32Å; D636-S638 PolarHBondContact O-N 3.15Å; S638-L640 PolarHBondContact O-N 2.95Å; S638-L641 WeakPolarHBondContact O-CB 3.45Å; S638-L641 PolarHBondContact O-N 3.45Å
639K85.7Confident86.4Confident138 Ų13844.7 Ų44.760%0.623%0.228SC*.Hα-helixtrans-63.5-24.7175.8-66.9170.1-166.4158.10113.2T635 D636 M637T635-K639 WeakPolarHBondContact O-CG 3.4Å; T635-K639 PolarHBondContact O-N 3.49Å; D636-K639 PolarHBondContact O-N 3.07Å; D636-K639 IonicContact OD1-NZ 3.64Å; D636-K639 PolarHBondContact OD1-NZ 3.35Å; M637-K639 VanDerWaalsContact C-N 3.34Å; M637-K639 PolarHBondContact O-N 2.95Å
640L82.3Confident86.3Confident25 Ų2548.5 Ų48.513%0.13125%0.251CS..Hα-helixtrans-83.1-15.2-177.6-61.8167.8000113R506 C507 N510 Y511 D636 M637 S638R506-L640 PolarHBondContact NE-O 3.35Å; R506-L640 PolarHBondContact NH2-O 3.24Å; C507-L640 HydrophobicContact CB-CD1 4.04Å; C507-L640 WeakPolarHBondContact SG-CD1 3.31Å; N510-L640 HydrophobicContact CB-CD2 3.7Å; N510-L640 WeakPolarHBondContact ND2-CD2 3.05Å; Y511-L640 HydrophobicContact CE2-CD1 4.13Å; Y511-L640 HydrophobicContact CE2-CD2 4.47Å; D636-L640 VanDerWaalsContact O-CG 3.32Å; D636-L640 WeakPolarHBondContact O-CG 3.5Å; D636-L640 PolarHBondContact O-N 3.42Å; M637-L640 WeakPolarHBondContact O-CB 2.88Å; M637-L640 PolarHBondContact O-N 2.73Å; M637-L640 VanDerWaalsContact O-N 3.09Å; S638-L640 PolarHBondContact O-N 2.95Å
641L79.8Confident86.1Confident18 Ų1853.1 Ų53.19%0.09427%0.271CS..SBendtrans-67.8151.1176.8-77.6147.9000112.1S638 D645 K649 Y652S638-L641 WeakPolarHBondContact O-CB 3.45Å; S638-L641 PolarHBondContact O-N 3.45Å; L641-D645 HydrophobicContact CD2-CB 4.38Å; L641-D645 VanDerWaalsContact CD2-OD2 3.28Å; L641-D645 WeakPolarHBondContact CD2-OD2 3.26Å; L641-K649 HydrophobicContact CB-CG 4.27Å; L641-K649 HydrophobicContact CD1-CG 4.03Å; L641-Y652 HydrophobicContact CD1-CD2 3.25Å; L641-Y652 HydrophobicContact CD1-CE2 3.24Å; L641-Y652 HydrophobicContact CG-CE2 4.19Å
642P79.5Confident86Confident21 Ų2153.6 Ų53.614%0.13627%0.273CS..  trans-62.7151175.3-5.422.2000109.8R506 Y644 D645R506-P642 VanDerWaalsContact NH2-CG 3.31Å; P642-Y644 HydrophobicContact CB-CD1 3.6Å; P642-Y644 HydrophobicContact CB-CD2 4.37Å; P642-Y644 HydrophobicContact CB-CE1 3.2Å; P642-Y644 HydrophobicContact CB-CE2 4.04Å; P642-Y644 HydrophobicContact CB-CG 4.17Å; P642-Y644 VanDerWaalsContact CB-CZ 3.44Å; P642-Y644 HydrophobicContact CG-CE1 3.92Å; P642-Y644 HydrophobicContact CG-CE2 4.08Å; P642-Y644 PolarHBondContact O-N 2.71Å; P642-D645 HydrophobicContact CG-CB 4.23Å; P642-D645 PolarHBondContact O-N 3.04Å; P642-D645 VanDerWaalsContact O-N 3.14Å
643T78.6Confident85.9Confident128 Ų12859 Ų5979%0.78530%0.298SS*.THydrogen-bonded Turntrans-61.7-25.4179.446.40000113.7
644Y81.8Confident86Confident191 Ų19161.8 Ų61.875%0.74932%0.317SS*.THydrogen-bonded Turntrans-82.9-14.3178.363.1-99.9000114.5P642 T646P642-Y644 HydrophobicContact CB-CD1 3.6Å; P642-Y644 HydrophobicContact CB-CD2 4.37Å; P642-Y644 HydrophobicContact CB-CE1 3.2Å; P642-Y644 HydrophobicContact CB-CE2 4.04Å; P642-Y644 HydrophobicContact CB-CG 4.17Å; P642-Y644 VanDerWaalsContact CB-CZ 3.44Å; P642-Y644 HydrophobicContact CG-CE1 3.92Å; P642-Y644 HydrophobicContact CG-CE2 4.08Å; P642-Y644 PolarHBondContact O-N 2.71Å; Y644-T646 PolarHBondContact O-N 2.75Å; Y644-T646 VanDerWaalsContact O-N 3.09Å
645D82.3Confident86.1Confident54 Ų5464.1 Ų64.129%0.28933%0.327SS..  trans-85.879.9179.9-169.3-5.4000110L641 P642 G648 K649L641-D645 HydrophobicContact CD2-CB 4.38Å; L641-D645 VanDerWaalsContact CD2-OD2 3.28Å; L641-D645 WeakPolarHBondContact CD2-OD2 3.26Å; P642-D645 HydrophobicContact CG-CB 4.23Å; P642-D645 PolarHBondContact O-N 3.04Å; P642-D645 VanDerWaalsContact O-N 3.14Å; D645-G648 PolarHBondContact OD1-N 2.95Å; D645-K649 WeakPolarHBondContact O-CG 3.47Å; D645-K649 PolarHBondContact O-N 3.39Å
646T83.2Confident86.3Confident98 Ų9863.3 Ų63.360%0.60132%0.322SS*.Hα-helixtrans-72.6-35.5-179.8510000111.8Y644 K649 T650Y644-T646 PolarHBondContact O-N 2.75Å; Y644-T646 VanDerWaalsContact O-N 3.09Å; T646-K649 PolarHBondContact O-N 2.88Å; T646-T650 WeakPolarHBondContact O-CG2 3.36Å; T646-T650 PolarHBondContact O-N 3.26Å; T646-T650 PolarHBondContact O-OG1 3.27Å
647E85.1Confident86.6Confident120 Ų12066.4 Ų66.456%0.56134%0.335SS*.Hα-helixtrans-69.3-40-178.1-160.3-166.5143.800112.3T650 K651E647-T650 PolarHBondContact O-OG1 2.98Å; E647-K651 WeakPolarHBondContact O-CB 3.39Å; E647-K651 WeakPolarHBondContact O-CG 3.39Å; E647-K651 PolarHBondContact O-N 3.3Å; E647-K651 VanDerWaalsContact O-N 3.09Å; E647-K651 IonicContact OE1-NZ 3.51Å; E647-K651 PolarHBondContact OE1-NZ 3.01Å
648G84.2Confident87Confident13 Ų1370 Ų7013%0.13435%0.352CS..Hα-helixtrans-63.3-42.2173.900000111.9D645 K651 Y652D645-G648 PolarHBondContact OD1-N 2.95Å; G648-K651 PolarHBondContact O-N 3.19Å; G648-Y652 WeakPolarHBondContact O-CD2 3.38Å; G648-Y652 PolarHBondContact O-N 3.48Å
649K85.7Confident87.3Confident57 Ų5769.2 Ų69.225%0.24835%0.346CS..Hα-helixtrans-64.9-45.5178.5-75.7-176.8178.3-1750112.7L641 D645 T646 K651 Y652 E653L641-K649 HydrophobicContact CB-CG 4.27Å; L641-K649 HydrophobicContact CD1-CG 4.03Å; D645-K649 WeakPolarHBondContact O-CG 3.47Å; D645-K649 PolarHBondContact O-N 3.39Å; T646-K649 PolarHBondContact O-N 2.88Å; K649-K651 VanDerWaalsContact C-N 3.32Å; K649-K651 PolarHBondContact O-N 3.42Å; K649-Y652 PolarHBondContact O-N 3.05Å; K649-E653 WeakPolarHBondContact O-CG 3.4Å; K649-E653 PolarHBondContact O-N 3.05Å
650T88.9Confident87.7Confident79 Ų7963 Ų6349%0.48532%0.319SS..Hα-helixtrans-64.3-37.6177.954.80000111.7T646 E647 E653 S654T646-T650 WeakPolarHBondContact O-CG2 3.36Å; T646-T650 PolarHBondContact O-N 3.26Å; T646-T650 PolarHBondContact O-OG1 3.27Å; E647-T650 PolarHBondContact O-OG1 2.98Å; T650-E653 PolarHBondContact O-N 3.4Å; T650-S654 PolarHBondContact O-N 2.87Å
651K89.7Confident88.3Confident97 Ų9765.4 Ų65.442%0.42233%0.333SS..Hα-helixtrans-58.5-48.7171.9-81.5170.7172.9159.70111.7E647 G648 K649 E653 S654 Y655E647-K651 WeakPolarHBondContact O-CB 3.39Å; E647-K651 WeakPolarHBondContact O-CG 3.39Å; E647-K651 PolarHBondContact O-N 3.3Å; E647-K651 VanDerWaalsContact O-N 3.09Å; E647-K651 IonicContact OE1-NZ 3.51Å; E647-K651 PolarHBondContact OE1-NZ 3.01Å; G648-K651 PolarHBondContact O-N 3.19Å; K649-K651 VanDerWaalsContact C-N 3.32Å; K649-K651 PolarHBondContact O-N 3.42Å; K651-E653 PolarHBondContact O-N 3.22Å; K651-S654 PolarHBondContact O-N 3.3Å; K651-S654 PolarHBondContact O-OG 3.29Å; K651-Y655 HydrophobicContact CB-CE2 4.47Å; K651-Y655 WeakPolarHBondContact O-CD1 3.49Å; K651-Y655 VanDerWaalsContact O-CG 3.28Å; K651-Y655 PolarHBondContact O-N 2.86Å
652Y90.5Very high89.1Confident10 Ų1067.2 Ų67.24%0.03934%0.342CS..Hα-helixtrans-65-39.9177.5-76-58.8000113.7Q608 Y634 M637 L641 G648 K649 S654 Y655 V656Q608-Y652 HydrophobicContact CG-CE1 4Å; Q608-Y652 VanDerWaalsContact CG-OH 3.29Å; Q608-Y652 WeakPolarHBondContact CG-OH 3.48Å; Q608-Y652 PolarHBondContact NE2-OH 3.24Å; Y634-Y652 AromaticContact CD1-CD1 3.42Å; Y634-Y652 HydrophobicContact CD1-CD1 3.42Å; Y634-Y652 VanDerWaalsContact CD1-CD1 3.42Å; Y634-Y652 AromaticContact CD1-CE1 3.52Å; Y634-Y652 HydrophobicContact CD1-CE1 3.52Å; Y634-Y652 HydrophobicContact CE1-CD1 4.07Å; Y634-Y652 AromaticContact CE1-CE1 3.91Å; Y634-Y652 HydrophobicContact CE1-CE1 3.91Å; Y634-Y652 HydrophobicContact CG-CD1 4.17Å; M637-Y652 HydrophobicContact CB-CE1 4.28Å; L641-Y652 HydrophobicContact CD1-CD2 3.25Å; L641-Y652 HydrophobicContact CD1-CE2 3.24Å; L641-Y652 HydrophobicContact CG-CE2 4.19Å; G648-Y652 WeakPolarHBondContact O-CD2 3.38Å; G648-Y652 PolarHBondContact O-N 3.48Å; K649-Y652 PolarHBondContact O-N 3.05Å; Y652-S654 VanDerWaalsContact C-N 3.27Å; Y652-S654 PolarHBondContact O-N 3.25Å; Y652-Y655 HydrophobicContact CD1-CD2 4.08Å; Y652-Y655 PolarHBondContact O-N 3.1Å; Y652-V656 VanDerWaalsContact O-CG2 3.31Å; Y652-V656 WeakPolarHBondContact O-CG2 3.46Å; Y652-V656 PolarHBondContact O-N 2.99Å
653E90.5Very high89.7Confident118 Ų11866.2 Ų66.255%0.55134%0.335SS*.Hα-helixtrans-59.7-41.3174.9-74.617317500110.9K649 T650 K651 Y655 V656 E657K649-E653 WeakPolarHBondContact O-CG 3.4Å; K649-E653 PolarHBondContact O-N 3.05Å; T650-E653 PolarHBondContact O-N 3.4Å; K651-E653 PolarHBondContact O-N 3.22Å; E653-Y655 PolarHBondContact O-N 3.38Å; E653-V656 PolarHBondContact O-N 3.46Å; E653-E657 WeakPolarHBondContact O-CB 3.2Å; E653-E657 PolarHBondContact O-N 3.1Å
654S93.5Very high90.4Very high59 Ų5961.1 Ų61.141%0.41330%0.303SS..Hα-helixtrans-62.6-40.3174.376.60000112.8T650 K651 Y652 E657 E658T650-S654 PolarHBondContact O-N 2.87Å; K651-S654 PolarHBondContact O-N 3.3Å; K651-S654 PolarHBondContact O-OG 3.29Å; Y652-S654 VanDerWaalsContact C-N 3.27Å; Y652-S654 PolarHBondContact O-N 3.25Å; S654-E657 PolarHBondContact O-N 3.47Å; S654-E658 PolarHBondContact O-N 2.96Å
655Y94.2Very high91Very high50 Ų5053.5 Ų53.520%0.19628%0.283CS..Hα-helixtrans-67.5-40177.1-58.8-22.3000112H610 Y634 K651 Y652 E653 E658 F659H610-Y655 HydrophobicContact CB-CD1 4.14Å; H610-Y655 HydrophobicContact CB-CD2 4.38Å; H610-Y655 HydrophobicContact CB-CE1 3.91Å; H610-Y655 HydrophobicContact CB-CE2 4.15Å; H610-Y655 HydrophobicContact CB-CG 4.39Å; H610-Y655 AromaticContact CD2-CD1 3.49Å; H610-Y655 VanDerWaalsContact CD2-CD1 3.49Å; H610-Y655 WeakPolarHBondContact CD2-CD1 3.33Å; H610-Y655 AromaticContact CD2-CE1 3.64Å; H610-Y655 AromaticContact CE1-CD1 3.77Å; H610-Y655 AromaticContact CE1-CG 3.97Å; H610-Y655 AromaticContact CG-CD1 3.52Å; H610-Y655 AromaticContact CG-CE1 3.7Å; H610-Y655 AromaticContact CG-CG 3.88Å; H610-Y655 AromaticContact ND1-CD1 3.74Å; H610-Y655 AromaticContact ND1-CG 3.72Å; H610-Y655 AromaticContact NE2-CD1 3.63Å; Y634-Y655 HydrophobicContact CE1-CD2 4.13Å; K651-Y655 HydrophobicContact CB-CE2 4.47Å; K651-Y655 WeakPolarHBondContact O-CD1 3.49Å; K651-Y655 VanDerWaalsContact O-CG 3.28Å; K651-Y655 PolarHBondContact O-N 2.86Å; Y652-Y655 HydrophobicContact CD1-CD2 4.08Å; Y652-Y655 PolarHBondContact O-N 3.1Å; E653-Y655 PolarHBondContact O-N 3.38Å; Y655-E658 PolarHBondContact O-N 3.18Å; Y655-F659 VanDerWaalsContact O-CD2 3.31Å; Y655-F659 WeakPolarHBondContact O-CD2 3.39Å; Y655-F659 PolarHBondContact O-N 2.65Å; Y655-F659 VanDerWaalsContact O-N 3.1Å
656V93.7Very high91.4Very high7 Ų753.1 Ų53.14%0.04228%0.282CS..Hα-helixtrans-63.5-43.8176172.90000110.6C631 Y634 Y652 E653 F659 E660 R703C631-V656 HydrophobicContact CB-CG1 4.13Å; Y634-V656 VanDerWaalsContact CB-CG2 3.44Å; Y634-V656 HydrophobicContact CG-CG2 4.49Å; Y652-V656 VanDerWaalsContact O-CG2 3.31Å; Y652-V656 WeakPolarHBondContact O-CG2 3.46Å; Y652-V656 PolarHBondContact O-N 2.99Å; E653-V656 PolarHBondContact O-N 3.46Å; V656-F659 PolarHBondContact O-N 2.84Å; V656-E660 VanDerWaalsContact O-CB 3.3Å; V656-E660 WeakPolarHBondContact O-CB 3.32Å; V656-E660 PolarHBondContact O-N 3.21Å; V656-R703 VanDerWaalsContact CG1-NH1 3.34Å
657E93.7Very high91.9Very high89 Ų8948.5 Ų48.542%0.41625%0.254SS..Hα-helixtrans-65.1-40.4178.8-177.9163.4-145.200112E653 S654 E660 N661 K705E653-E657 WeakPolarHBondContact O-CB 3.2Å; E653-E657 PolarHBondContact O-N 3.1Å; S654-E657 PolarHBondContact O-N 3.47Å; E657-E660 PolarHBondContact O-N 3.42Å; E657-N661 WeakPolarHBondContact O-CB 3.41Å; E657-N661 PolarHBondContact O-N 2.69Å; E657-N661 PolarHBondContact O-ND2 3.47Å; E657-K705 IonicContact OE1-NZ 3.65Å; E657-K705 PolarHBondContact OE1-NZ 3.42Å
658E95.2Very high92.2Very high81 Ų8147.6 Ų47.638%0.37925%0.25SC..Hα-helixtrans-62.4-46.8176.2-167.9173.8178.900111.7H610 L614 S654 Y655 N661 L662H610-E658 IonicContact CD2-OE2 2.63Å; H610-E658 IonicContact CE1-OE2 3.24Å; H610-E658 IonicContact NE2-OE2 2.69Å; H610-E658 PolarHBondContact NE2-OE2 3.18Å; L614-E658 WeakPolarHBondContact CD1-OE1 3.29Å; S654-E658 PolarHBondContact O-N 2.96Å; Y655-E658 PolarHBondContact O-N 3.18Å; E658-N661 PolarHBondContact O-N 3.45Å; E658-L662 HydrophobicContact CG-CD1 4.46Å; E658-L662 VanDerWaalsContact O-CG 3.28Å; E658-L662 WeakPolarHBondContact O-CG 3.43Å; E658-L662 PolarHBondContact O-N 3.33Å
659F95.5Very high92.6Very high0 Ų053.1 Ų53.10%027%0.272CS..Hα-helixtrans-67.1-34.7175.4-82-67000113.1F601 H610 A613 L614 W617 A627 A630 Y634 Y655 V656 L662 A663F601-F659 AromaticContact CE2-CE1 3.8Å; F601-F659 HydrophobicContact CE2-CE1 3.8Å; F601-F659 AromaticContact CE2-CZ 3.86Å; F601-F659 HydrophobicContact CE2-CZ 3.86Å; F601-F659 HydrophobicContact CZ-CE1 4.18Å; F601-F659 HydrophobicContact CZ-CZ 4.41Å; H610-F659 AromaticContact CE1-CD2 3.9Å; H610-F659 AromaticContact CE1-CE2 3.39Å; H610-F659 WeakPolarHBondContact CE1-CE2 3.31Å; H610-F659 AromaticContact ND1-CE2 3.54Å; A613-F659 HydrophobicContact CB-CZ 4.26Å; L614-F659 HydrophobicContact CD2-CE1 3.87Å; L614-F659 HydrophobicContact CD2-CE2 4.42Å; L614-F659 HydrophobicContact CD2-CZ 3.8Å; L614-F659 HydrophobicContact CG-CZ 4.19Å; W617-F659 HydrophobicContact CB-CE1 4.27Å; W617-F659 HydrophobicContact CG-CE1 4.09Å; A627-F659 HydrophobicContact CB-CD1 4.21Å; A630-F659 HydrophobicContact CB-CB 4.26Å; A630-F659 HydrophobicContact CB-CD1 4.04Å; A630-F659 HydrophobicContact CB-CD2 3.68Å; A630-F659 HydrophobicContact CB-CE1 4.32Å; A630-F659 HydrophobicContact CB-CE2 4Å; A630-F659 HydrophobicContact CB-CG 3.72Å; A630-F659 HydrophobicContact CB-CZ 4.3Å; Y634-F659 HydrophobicContact CD2-CD2 4.26Å; Y634-F659 AromaticContact CE2-CD2 3.86Å; Y634-F659 HydrophobicContact CE2-CD2 3.86Å; Y634-F659 AromaticContact CE2-CE2 3.69Å; Y634-F659 HydrophobicContact CE2-CE2 3.69Å; Y655-F659 VanDerWaalsContact O-CD2 3.31Å; Y655-F659 WeakPolarHBondContact O-CD2 3.39Å; Y655-F659 PolarHBondContact O-N 2.65Å; Y655-F659 VanDerWaalsContact O-N 3.1Å; V656-F659 PolarHBondContact O-N 2.84Å; F659-L662 HydrophobicContact CD1-CD1 4.34Å; F659-L662 PolarHBondContact O-N 3.47Å; F659-A663 WeakPolarHBondContact O-CB 3.31Å; F659-A663 PolarHBondContact O-N 3.47Å
660E94.8Very high92.8Very high7 Ų752.2 Ų52.23%0.03327%0.272CS..Hα-helixtrans-63.7-45.1174.9-178.1170.1-162.300110.7V656 E657 A663 I664 R703 K705 F706V656-E660 VanDerWaalsContact O-CB 3.3Å; V656-E660 WeakPolarHBondContact O-CB 3.32Å; V656-E660 PolarHBondContact O-N 3.21Å; E657-E660 PolarHBondContact O-N 3.42Å; E660-A663 PolarHBondContact O-N 2.64Å; E660-I664 HydrophobicContact CG-CD1 4.09Å; E660-I664 VanDerWaalsContact O-CG1 3.26Å; E660-I664 WeakPolarHBondContact O-CG1 3.41Å; E660-I664 PolarHBondContact O-N 3.26Å; E660-R703 WeakPolarHBondContact OE1-CB 3.4Å; E660-R703 VanDerWaalsContact OE2-CD 3.3Å; E660-R703 WeakPolarHBondContact OE2-CD 3.42Å; E660-R703 IonicContact OE2-CZ 3.55Å; E660-R703 IonicContact OE2-NH1 3.52Å; E660-R703 PolarHBondContact OE2-NH1 2.89Å; E660-K705 HydrophobicContact CG-CB 4.46Å; E660-K705 WeakPolarHBondContact OE1-CB 3.49Å; E660-K705 PolarHBondContact OE1-N 2.82Å; E660-F706 HydrophobicContact CG-CB 4.43Å; E660-F706 PolarHBondContact OE1-N 3.12Å
661N94.9Very high92.8Very high77 Ų7750.1 Ų50.141%0.41226%0.258SS..Hα-helixtrans-66-39177.5-68.5-26.2000112.2E657 E658 I664 G665E657-N661 WeakPolarHBondContact O-CB 3.41Å; E657-N661 PolarHBondContact O-N 2.69Å; E657-N661 PolarHBondContact O-ND2 3.47Å; E658-N661 PolarHBondContact O-N 3.45Å; N661-I664 PolarHBondContact O-N 3.5Å; N661-G665 PolarHBondContact O-N 3.22Å
662L94.8Very high92.8Very high55 Ų5549.3 Ų49.329%0.28827%0.27SS..Hα-helixtrans-63.1-42.7174.1-73.2171.4000111.8L614 W617 E658 F659 I664 G665 V666L614-L662 HydrophobicContact CD2-CD1 3.53Å; W617-L662 HydrophobicContact CE3-CD1 4.2Å; W617-L662 HydrophobicContact CH2-CB 3.76Å; W617-L662 HydrophobicContact CH2-CD1 4.23Å; W617-L662 HydrophobicContact CH2-CD2 3.96Å; W617-L662 HydrophobicContact CH2-CG 4.2Å; W617-L662 HydrophobicContact CZ2-CB 3.94Å; W617-L662 HydrophobicContact CZ3-CB 4.35Å; W617-L662 HydrophobicContact CZ3-CD1 3.98Å; W617-L662 HydrophobicContact CZ3-CD2 3.95Å; W617-L662 HydrophobicContact CZ3-CG 4.32Å; E658-L662 HydrophobicContact CG-CD1 4.46Å; E658-L662 VanDerWaalsContact O-CG 3.28Å; E658-L662 WeakPolarHBondContact O-CG 3.43Å; E658-L662 PolarHBondContact O-N 3.33Å; F659-L662 HydrophobicContact CD1-CD1 4.34Å; F659-L662 PolarHBondContact O-N 3.47Å; L662-I664 VanDerWaalsContact C-N 3.34Å; L662-I664 PolarHBondContact O-N 3.43Å; L662-G665 PolarHBondContact O-N 3.18Å; L662-V666 WeakPolarHBondContact O-CG2 3.43Å; L662-V666 PolarHBondContact O-N 3.04Å
663A93.7Very high92.9Very high0 Ų055.7 Ų55.70%030%0.303CS..Hα-helixtrans-61.5-43.1175.700000111.7L624 A627 L628 F659 E660 L667 F706L624-A663 HydrophobicContact CD1-CB 4.06Å; L624-A663 WeakPolarHBondContact CD1-O 3.3Å; A627-A663 HydrophobicContact CB-CB 3.78Å; L628-A663 HydrophobicContact CD2-CB 4.29Å; F659-A663 WeakPolarHBondContact O-CB 3.31Å; F659-A663 PolarHBondContact O-N 3.47Å; E660-A663 PolarHBondContact O-N 2.64Å; A663-L667 VanDerWaalsContact O-CB 3.29Å; A663-L667 WeakPolarHBondContact O-CB 3.42Å; A663-L667 PolarHBondContact O-N 3.44Å; A663-F706 HydrophobicContact CB-CD2 3.86Å; A663-F706 HydrophobicContact CB-CE2 3.81Å
664I93.1Very high92.8Very high21 Ų2153.4 Ų53.411%0.10830%0.295CS..Hα-helixtrans-62.6-49.4176.2-67.4165.2000110.3E660 N661 L662 V666 L667 E668 K705 F706E660-I664 HydrophobicContact CG-CD1 4.09Å; E660-I664 VanDerWaalsContact O-CG1 3.26Å; E660-I664 WeakPolarHBondContact O-CG1 3.41Å; E660-I664 PolarHBondContact O-N 3.26Å; N661-I664 PolarHBondContact O-N 3.5Å; L662-I664 VanDerWaalsContact C-N 3.34Å; L662-I664 PolarHBondContact O-N 3.43Å; I664-V666 PolarHBondContact O-N 2.9Å; I664-L667 PolarHBondContact O-N 3.42Å; I664-L667 VanDerWaalsContact O-N 3.11Å; I664-E668 HydrophobicContact CG2-CG 4.11Å; I664-E668 WeakPolarHBondContact O-CB 3.33Å; I664-E668 WeakPolarHBondContact O-CG 3.47Å; I664-E668 PolarHBondContact O-N 3.38Å; I664-K705 HydrophobicContact CD1-CB 3.75Å; I664-F706 HydrophobicContact CG1-CB 4.27Å; I664-F706 HydrophobicContact CG1-CD2 3.91Å
665G93.1Very high92.4Very high31 Ų3154 Ų5432%0.3230%0.297SS..Hα-helixtrans-58.2-46-179.400000112.5N661 L662 L667 E668 E669N661-G665 PolarHBondContact O-N 3.22Å; L662-G665 PolarHBondContact O-N 3.18Å; G665-L667 VanDerWaalsContact C-N 3.33Å; G665-L667 PolarHBondContact O-N 3.09Å; G665-E668 PolarHBondContact O-N 3.07Å; G665-E669 WeakPolarHBondContact O-CG 3.42Å; G665-E669 PolarHBondContact O-N 3.01Å; G665-E669 VanDerWaalsContact O-N 3.08Å
666V92.6Very high91.8Very high47 Ų4758.2 Ų58.229%0.28532%0.319SS..Hα-helixtrans-62.1-42.5175.91730000111.3W617 L662 I664 C670W617-V666 HydrophobicContact CH2-CG2 3.96Å; W617-V666 HydrophobicContact CZ2-CG2 4.05Å; L662-V666 WeakPolarHBondContact O-CG2 3.43Å; L662-V666 PolarHBondContact O-N 3.04Å; I664-V666 PolarHBondContact O-N 2.9Å; V666-C670 PolarHBondContact O-N 3.38Å; V666-C670 PolarHBondContact O-SG 3.01Å
667L92.6Very high91.4Very high0 Ų063 Ų630%034%0.339CS..Hα-helixtrans-67.6-40.6-178.4-175.567.6000112.4L624 A663 I664 G665 C670 N671 T678 V682 F706 S709 A711L624-L667 HydrophobicContact CD1-CB 4.23Å; L624-L667 HydrophobicContact CD2-CD1 4.04Å; A663-L667 VanDerWaalsContact O-CB 3.29Å; A663-L667 WeakPolarHBondContact O-CB 3.42Å; A663-L667 PolarHBondContact O-N 3.44Å; I664-L667 PolarHBondContact O-N 3.42Å; I664-L667 VanDerWaalsContact O-N 3.11Å; G665-L667 VanDerWaalsContact C-N 3.33Å; G665-L667 PolarHBondContact O-N 3.09Å; L667-C670 PolarHBondContact O-N 3.23Å; L667-N671 VanDerWaalsContact O-CB 3.32Å; L667-N671 WeakPolarHBondContact O-CB 3.5Å; L667-N671 PolarHBondContact O-N 3.31Å; L667-T678 HydrophobicContact CD1-CG2 3.51Å; L667-T678 HydrophobicContact CG-CG2 4.39Å; L667-V682 HydrophobicContact CD1-CG2 3.53Å; L667-V682 HydrophobicContact CD2-CG2 4.46Å; L667-F706 HydrophobicContact CB-CE2 4.4Å; L667-F706 HydrophobicContact CD2-CE1 4.41Å; L667-F706 HydrophobicContact CD2-CE2 3.76Å; L667-F706 HydrophobicContact CD2-CZ 3.68Å; L667-S709 WeakPolarHBondContact CD2-OG 3.48Å; L667-A711 HydrophobicContact CD1-CB 4.05Å; L667-A711 HydrophobicContact CD2-CB 3.94Å; L667-A711 HydrophobicContact CG-CB 3.81Å
668E91.4Very high91.1Very high102 Ų10258.8 Ų58.848%0.47732%0.319SS..Hα-helixtrans-67.8-41.1178.6-73.3-177.9167.400111.8I664 G665 N671 A672I664-E668 HydrophobicContact CG2-CG 4.11Å; I664-E668 WeakPolarHBondContact O-CB 3.33Å; I664-E668 WeakPolarHBondContact O-CG 3.47Å; I664-E668 PolarHBondContact O-N 3.38Å; G665-E668 PolarHBondContact O-N 3.07Å; E668-N671 PolarHBondContact O-N 3.08Å; E668-A672 WeakPolarHBondContact O-CB 3.37Å; E668-A672 PolarHBondContact O-N 2.79Å
669E92Very high90.5Very high128 Ų12856.5 Ų56.560%0.59831%0.31SS*.Hα-helixtrans-62.5-43.5172.9-71.4-62.9152.200111.6G665 N671 A672 I673G665-E669 WeakPolarHBondContact O-CG 3.42Å; G665-E669 PolarHBondContact O-N 3.01Å; G665-E669 VanDerWaalsContact O-N 3.08Å; E669-N671 VanDerWaalsContact C-N 3.31Å; E669-N671 PolarHBondContact O-N 3.33Å; E669-A672 PolarHBondContact O-N 3.47Å; E669-I673 WeakPolarHBondContact O-CG1 3.35Å; E669-I673 PolarHBondContact O-N 3.27Å; E669-I673 VanDerWaalsContact O-N 3.17Å
670C90.4Very high89.8Confident38 Ų3860.9 Ų60.926%0.25733%0.327SS..Hα-helixtrans-59.4-45.1173.8-680000111.2V666 L667 A672 I673 D674 T678V666-C670 PolarHBondContact O-N 3.38Å; V666-C670 PolarHBondContact O-SG 3.01Å; L667-C670 PolarHBondContact O-N 3.23Å; C670-A672 VanDerWaalsContact C-N 3.31Å; C670-A672 PolarHBondContact O-N 3.39Å; C670-I673 PolarHBondContact O-N 3.13Å; C670-D674 PolarHBondContact O-N 3.14Å; C670-T678 HydrophobicContact CB-CG2 4.15Å; C670-T678 WeakPolarHBondContact CB-OG1 3.4Å; C670-T678 PolarHBondContact O-OG1 3.37Å
671N88.4Confident89.3Confident35 Ų3563.3 Ų63.319%0.18734%0.34CS..Hα-helixtrans-67-32.1-179-17366.5000112.6L667 E668 E669 I673 T678 A711L667-N671 VanDerWaalsContact O-CB 3.32Å; L667-N671 WeakPolarHBondContact O-CB 3.5Å; L667-N671 PolarHBondContact O-N 3.31Å; E668-N671 PolarHBondContact O-N 3.08Å; E669-N671 VanDerWaalsContact C-N 3.31Å; E669-N671 PolarHBondContact O-N 3.33Å; N671-I673 VanDerWaalsContact C-N 3.34Å; N671-T678 WeakPolarHBondContact CA-OG1 3.18Å; N671-T678 HydrophobicContact CB-CG2 4.07Å; N671-T678 PolarHBondContact N-OG1 2.95Å; N671-T678 VanDerWaalsContact N-OG1 3.15Å; N671-A711 HydrophobicContact CB-CB 4.12Å
672A91.1Very high88.9Confident81 Ų8159.7 Ų59.767%0.66932%0.32SS*.Hα-helixtrans-68.4-33.6174.800000112.2E668 E669 C670E668-A672 WeakPolarHBondContact O-CB 3.37Å; E668-A672 PolarHBondContact O-N 2.79Å; E669-A672 PolarHBondContact O-N 3.47Å; C670-A672 VanDerWaalsContact C-N 3.31Å; C670-A672 PolarHBondContact O-N 3.39Å
673I91.4Very high88.3Confident143 Ų14359.8 Ų59.873%0.73332%0.32SS*.Hα-helixtrans-79.7-55.1178.8-63.1165.6000111.1E669 C670 N671E669-I673 WeakPolarHBondContact O-CG1 3.35Å; E669-I673 PolarHBondContact O-N 3.27Å; E669-I673 VanDerWaalsContact O-N 3.17Å; C670-I673 PolarHBondContact O-N 3.13Å; N671-I673 VanDerWaalsContact C-N 3.34Å
674D88.7Confident87.5Confident70 Ų7061.1 Ų61.137%0.37433%0.333SS..  trans-146.7101.8-178.4-172.9-18.9000110.8C670 E676 F677 T678C670-D674 PolarHBondContact O-N 3.14Å; D674-E676 VanDerWaalsContact C-N 3.34Å; D674-E676 PolarHBondContact O-N 3.38Å; D674-E676 PolarHBondContact OD1-N 3.5Å; D674-F677 HydrophobicContact CB-CB 3.92Å; D674-F677 VanDerWaalsContact CG-CB 3.47Å; D674-F677 PolarHBondContact OD1-N 3.46Å; D674-F677 WeakPolarHBondContact OD2-CB 3.2Å; D674-T678 WeakPolarHBondContact O-CB 3.06Å; D674-T678 PolarHBondContact O-N 2.96Å; D674-T678 PolarHBondContact O-OG1 3.31Å
675P85.3Confident86.8Confident72 Ų7266.9 Ų66.947%0.46836%0.36SS..Hα-helixtrans-69.4-29.2-179.728-34.3000112.9L679P675-L679 PolarHBondContact O-N 3.38Å; P675-L679 VanDerWaalsContact O-N 3.12Å
676E81.4Confident85.9Confident139 Ų13966.4 Ų66.465%0.6535%0.351SS*.Hα-helixtrans-72-45.1178.9-71-171.4176.800110.7D674 T678 L679 Y680D674-E676 VanDerWaalsContact C-N 3.34Å; D674-E676 PolarHBondContact O-N 3.38Å; D674-E676 PolarHBondContact OD1-N 3.5Å; E676-T678 VanDerWaalsContact C-N 3.31Å; E676-T678 PolarHBondContact O-N 3.02Å; E676-L679 WeakPolarHBondContact O-CB 3.36Å; E676-L679 PolarHBondContact O-N 3.05Å; E676-Y680 PolarHBondContact O-N 3.46Å
677F84.6Confident84.7Confident106 Ų10669.1 Ų69.147%0.46537%0.372SS..Hα-helixtrans-64.2-38.6175-175.7-99.1000111.8D674 L679 Y680 L681D674-F677 HydrophobicContact CB-CB 3.92Å; D674-F677 VanDerWaalsContact CG-CB 3.47Å; D674-F677 PolarHBondContact OD1-N 3.46Å; D674-F677 WeakPolarHBondContact OD2-CB 3.2Å; F677-L679 VanDerWaalsContact C-N 3.28Å; F677-L679 PolarHBondContact O-N 3.23Å; F677-Y680 WeakPolarHBondContact O-CB 3.48Å; F677-Y680 PolarHBondContact O-N 3.48Å; F677-Y680 VanDerWaalsContact O-N 3.12Å; F677-L681 HydrophobicContact CE1-CD1 4.13Å; F677-L681 PolarHBondContact O-N 3.05Å
678T87.4Confident83.6Confident1 Ų172.1 Ų72.11%0.00639%0.388CS..Hα-helixtrans-63.2-36.7177.8-57.60000112L667 C670 N671 D674 E676 Y680 L681 V682 A711L667-T678 HydrophobicContact CD1-CG2 3.51Å; L667-T678 HydrophobicContact CG-CG2 4.39Å; C670-T678 HydrophobicContact CB-CG2 4.15Å; C670-T678 WeakPolarHBondContact CB-OG1 3.4Å; C670-T678 PolarHBondContact O-OG1 3.37Å; N671-T678 WeakPolarHBondContact CA-OG1 3.18Å; N671-T678 HydrophobicContact CB-CG2 4.07Å; N671-T678 PolarHBondContact N-OG1 2.95Å; N671-T678 VanDerWaalsContact N-OG1 3.15Å; D674-T678 WeakPolarHBondContact O-CB 3.06Å; D674-T678 PolarHBondContact O-N 2.96Å; D674-T678 PolarHBondContact O-OG1 3.31Å; E676-T678 VanDerWaalsContact C-N 3.31Å; E676-T678 PolarHBondContact O-N 3.02Å; T678-Y680 VanDerWaalsContact C-N 3.29Å; T678-Y680 PolarHBondContact O-N 2.87Å; T678-L681 WeakPolarHBondContact O-CB 3.41Å; T678-L681 PolarHBondContact O-N 3.18Å; T678-L681 VanDerWaalsContact O-N 3.13Å; T678-V682 WeakPolarHBondContact O-CG2 3.37Å; T678-V682 PolarHBondContact O-N 3.43Å; T678-A711 HydrophobicContact CG2-CB 3.86Å
679L83.4Confident82.8Confident34 Ų3467.4 Ų67.418%0.17837%0.366CS..Hα-helixtrans-60.6-41.4174.5-160123.2000111.4P675 E676 F677 V682 E683 N714 F718P675-L679 PolarHBondContact O-N 3.38Å; P675-L679 VanDerWaalsContact O-N 3.12Å; E676-L679 WeakPolarHBondContact O-CB 3.36Å; E676-L679 PolarHBondContact O-N 3.05Å; F677-L679 VanDerWaalsContact C-N 3.28Å; F677-L679 PolarHBondContact O-N 3.23Å; L679-V682 PolarHBondContact O-N 3.36Å; L679-E683 PolarHBondContact O-N 2.95Å; L679-N714 HydrophobicContact CD1-CB 4.44Å; L679-F718 HydrophobicContact CD1-CB 4.06Å; L679-F718 HydrophobicContact CD1-CG 4.4Å; L679-F718 HydrophobicContact CD2-CB 4.44Å; L679-F718 HydrophobicContact CD2-CD1 3.72Å; L679-F718 HydrophobicContact CD2-CE1 4.1Å; L679-F718 HydrophobicContact CD2-CG 4.04Å
680Y80.1Confident81.6Confident91 Ų9162.3 Ų62.336%0.35735%0.348SS..Hα-helixtrans-64.5-38.8173.4175-91.3000112.4E676 F677 T678 V682 E683 G684 V758E676-Y680 PolarHBondContact O-N 3.46Å; F677-Y680 WeakPolarHBondContact O-CB 3.48Å; F677-Y680 PolarHBondContact O-N 3.48Å; F677-Y680 VanDerWaalsContact O-N 3.12Å; T678-Y680 VanDerWaalsContact C-N 3.29Å; T678-Y680 PolarHBondContact O-N 2.87Å; Y680-V682 VanDerWaalsContact C-N 3.32Å; Y680-V682 PolarHBondContact O-N 3.4Å; Y680-E683 PolarHBondContact O-N 3.32Å; Y680-G684 WeakPolarHBondContact O-CA 3.45Å; Y680-G684 PolarHBondContact O-N 2.98Å; Y680-V758 WeakPolarHBondContact OH-CG2 3.44Å
681L85.1Confident80.9Confident59 Ų5961.5 Ų61.531%0.30935%0.346SS..Hα-helixtrans-63.1-38.9177.4-162.199.3000112L624 F677 T678L624-L681 HydrophobicContact CD2-CD2 3.34Å; L624-L681 HydrophobicContact CD2-CG 4.3Å; F677-L681 HydrophobicContact CE1-CD1 4.13Å; F677-L681 PolarHBondContact O-N 3.05Å; T678-L681 WeakPolarHBondContact O-CB 3.41Å; T678-L681 PolarHBondContact O-N 3.18Å; T678-L681 VanDerWaalsContact O-N 3.13Å
682V85.8Confident80.4Confident0 Ų061.2 Ų61.20%034%0.343CS..Hα-helixtrans-73.8-40.2179.3174.40000112.1L667 T678 L679 Y680 C694 L695L667-V682 HydrophobicContact CD1-CG2 3.53Å; L667-V682 HydrophobicContact CD2-CG2 4.46Å; T678-V682 WeakPolarHBondContact O-CG2 3.37Å; T678-V682 PolarHBondContact O-N 3.43Å; L679-V682 PolarHBondContact O-N 3.36Å; Y680-V682 VanDerWaalsContact C-N 3.32Å; Y680-V682 PolarHBondContact O-N 3.4Å; V682-C694 PolarHBondContact O-N 2.88Å; V682-L695 HydrophobicContact CG1-CD1 3.67Å; V682-L695 HydrophobicContact CG1-CD2 4.32Å; V682-L695 HydrophobicContact CG1-CG 3.57Å
683E82.5Confident80.1Confident58 Ų5858.5 Ų58.527%0.27132%0.317SS..Hα-helixtrans-80.3-18.8178.2-69.6-171.8177.900113.4L679 Y680 E685 S715L679-E683 PolarHBondContact O-N 2.95Å; Y680-E683 PolarHBondContact O-N 3.32Å; E683-E685 PolarHBondContact O-N 3.04Å; E683-S715 WeakPolarHBondContact CG-OG 3.38Å; E683-S715 PolarHBondContact OE1-OG 3.46Å
684G76.5Confident79.9Confident27 Ų2751.9 Ų51.928%0.27828%0.284SS..PPolyproline II helixtrans-57.3124.8-177.900000112.1Y680 N693Y680-G684 WeakPolarHBondContact O-CA 3.45Å; Y680-G684 PolarHBondContact O-N 2.98Å; G684-N693 WeakPolarHBondContact O-CA 3.41Å
685E78.7Confident79.7Confident143 Ų14349.7 Ų49.767%0.66827%0.272SS*.PPolyproline II helixtrans-84.4123.2174.8-66.1-176.6179.700109.9E683 S687 G691E683-E685 PolarHBondContact O-N 3.04Å; E685-S687 PolarHBondContact O-N 3.06Å; E685-G691 WeakPolarHBondContact CG-O 3.28Å
686S73.7Confident79.7Confident21 Ų2150.4 Ų50.415%0.14727%0.269CS..BIsolated β-bridgetrans-81.9119.8174.4-175.10000110.7L688 W689 G691 F692S686-L688 VanDerWaalsContact C-N 3.25Å; S686-L688 PolarHBondContact O-N 3.01Å; S686-W689 PolarHBondContact O-N 2.84Å; S686-W689 VanDerWaalsContact OG-CD1 3.23Å; S686-G691 WeakPolarHBondContact O-CA 3.3Å; S686-G691 PolarHBondContact O-N 2.99Å; S686-F692 PolarHBondContact N-O 3.42Å
687S68.6Low79.9Confident103 Ų10343.8 Ų43.872%0.7224%0.238SC*.THydrogen-bonded Turntrans-63.8-28.7-179.561.60000113.5E685E685-S687 PolarHBondContact O-N 3.06Å
688L68.5Low80Confident64 Ų6438.8 Ų38.834%0.33522%0.216SC..THydrogen-bonded Turntrans-75.5-35.2178.2-70.4166.1000111.9Y566 S686 G690Y566-L688 WeakPolarHBondContact CD2-O 3.4Å; S686-L688 VanDerWaalsContact C-N 3.25Å; S686-L688 PolarHBondContact O-N 3.01Å; L688-G690 VanDerWaalsContact C-N 3.27Å; L688-G690 PolarHBondContact O-N 2.66Å
689W75.5Confident79.9Confident2 Ų241.4 Ų41.41%0.00824%0.238CC..THydrogen-bonded Turntrans-94.738.3-177.2-56.4115.5000112I559 L563 Y566 Q598 L602 T625 L626 I629 S686 G691 F692I559-W689 HydrophobicContact CG2-CZ3 4.27Å; L563-W689 HydrophobicContact CD1-CE3 4.15Å; L563-W689 HydrophobicContact CD1-CZ3 3.98Å; Y566-W689 HydrophobicContact CD2-CD2 4.32Å; Y566-W689 AromaticContact CD2-CE3 3.37Å; Y566-W689 HydrophobicContact CD2-CE3 3.37Å; Y566-W689 HydrophobicContact CD2-CH2 4.37Å; Y566-W689 AromaticContact CD2-CZ3 3.39Å; Y566-W689 HydrophobicContact CD2-CZ3 3.39Å; Y566-W689 HydrophobicContact CE2-CD2 4.37Å; Y566-W689 AromaticContact CE2-CE3 3.61Å; Y566-W689 HydrophobicContact CE2-CE3 3.61Å; Y566-W689 AromaticContact CE2-CH2 3.84Å; Y566-W689 HydrophobicContact CE2-CH2 3.84Å; Y566-W689 AromaticContact CE2-CZ3 3.3Å; Y566-W689 HydrophobicContact CE2-CZ3 3.3Å; Y566-W689 HydrophobicContact CG-CE3 4.48Å; Y566-W689 HydrophobicContact CG-CZ3 4.39Å; Q598-W689 HydrophobicContact CG-CZ2 4.14Å; L602-W689 HydrophobicContact CD1-CH2 3.74Å; L602-W689 HydrophobicContact CD2-CH2 3.78Å; L602-W689 HydrophobicContact CG-CH2 4.23Å; T625-W689 HydrophobicContact CG2-CG 4.45Å; L626-W689 HydrophobicContact CD2-CZ2 3.85Å; I629-W689 HydrophobicContact CD1-CD2 3.23Å; I629-W689 HydrophobicContact CD1-CE3 3.62Å; I629-W689 HydrophobicContact CD1-CG 3.69Å; I629-W689 HydrophobicContact CD1-CH2 3.8Å; I629-W689 HydrophobicContact CD1-CZ2 3.41Å; I629-W689 VanDerWaalsContact CD1-CZ2 3.41Å; I629-W689 HydrophobicContact CD1-CZ3 3.89Å; I629-W689 HydrophobicContact CG1-CD2 4.41Å; I629-W689 HydrophobicContact CG1-CE3 4.45Å; I629-W689 HydrophobicContact CG2-CH2 4.24Å; I629-W689 HydrophobicContact CG2-CZ3 4.3Å; S686-W689 PolarHBondContact O-N 2.84Å; S686-W689 VanDerWaalsContact OG-CD1 3.23Å; W689-G691 PolarHBondContact O-N 3.11Å; W689-G691 VanDerWaalsContact O-N 3.15Å; W689-F692 WeakPolarHBondContact O-CD2 3.22Å; W689-F692 PolarHBondContact O-N 3.41Å
690G67.5Low79.8Confident22 Ų2243.5 Ų43.523%0.22725%0.247CC..THydrogen-bonded Turntrans65.620.3172.200000115.4L688L688-G690 VanDerWaalsContact C-N 3.27Å; L688-G690 PolarHBondContact O-N 2.66Å
691G75.4Confident79.7Confident21 Ų2139.3 Ų39.322%0.21623%0.231CC..THydrogen-bonded Turntrans79.317.9-178.100000114E685 S686 W689E685-G691 WeakPolarHBondContact CG-O 3.28Å; S686-G691 WeakPolarHBondContact O-CA 3.3Å; S686-G691 PolarHBondContact O-N 2.99Å; W689-G691 PolarHBondContact O-N 3.11Å; W689-G691 VanDerWaalsContact O-N 3.15Å
692F78.2Confident79.6Confident28 Ų2840.7 Ų40.712%0.12324%0.241CC..BIsolated β-bridgetrans-72.8142.8172.9-69-61.3000111L563 R565 S686 W689 Q696 L697L563-F692 WeakPolarHBondContact O-CE2 3.43Å; R565-F692 HydrophobicContact CB-CD2 4.44Å; R565-F692 HydrophobicContact CB-CE2 3.59Å; R565-F692 HydrophobicContact CB-CZ 3.96Å; R565-F692 HydrophobicContact CG-CE2 4.09Å; R565-F692 HydrophobicContact CG-CZ 3.91Å; S686-F692 PolarHBondContact N-O 3.42Å; W689-F692 WeakPolarHBondContact O-CD2 3.22Å; W689-F692 PolarHBondContact O-N 3.41Å; F692-Q696 HydrophobicContact CD1-CB 3.98Å; F692-L697 HydrophobicContact CB-CD2 3.99Å; F692-L697 HydrophobicContact CB-CG 3.97Å; F692-L697 HydrophobicContact CD2-CD2 4.19Å; F692-L697 HydrophobicContact CG-CD2 4.23Å
693N84.2Confident79.7Confident25 Ų2543 Ų4313%0.13425%0.25CS..  trans-95.5166.5165.870.49.5000110.8G684 L695 Q696 L697G684-N693 WeakPolarHBondContact O-CA 3.41Å; N693-L695 VanDerWaalsContact C-N 3.25Å; N693-L695 PolarHBondContact O-N 3.09Å; N693-L695 PolarHBondContact OD1-N 2.81Å; N693-Q696 PolarHBondContact O-N 3.43Å; N693-Q696 VanDerWaalsContact O-N 3.14Å; N693-Q696 WeakPolarHBondContact OD1-CB 3.3Å; N693-Q696 WeakPolarHBondContact OD1-CG 3.38Å; N693-Q696 PolarHBondContact OD1-N 3.33Å; N693-L697 PolarHBondContact O-N 3.47Å; N693-L697 VanDerWaalsContact O-N 3.13Å
694C86.1Confident79.8Confident4 Ų448.7 Ų48.73%0.02727%0.269CS..Hα-helixtrans-58.6-37.5-177.7-67.90000112.3L628 V682 L697 A698L628-C694 HydrophobicContact CD1-CB 3.77Å; L628-C694 WeakPolarHBondContact CD1-O 3.43Å; V682-C694 PolarHBondContact O-N 2.88Å; C694-L697 PolarHBondContact O-N 3.4Å; C694-A698 WeakPolarHBondContact O-CB 3.48Å; C694-A698 PolarHBondContact O-N 3.14Å
695L86.4Confident80.4Confident24 Ų2452.1 Ų52.113%0.12628%0.276CS..Hα-helixtrans-63.4-41.8176.9-76.7164.7000112.7V682 N693 A698 A699 C712 L716V682-L695 HydrophobicContact CG1-CD1 3.67Å; V682-L695 HydrophobicContact CG1-CD2 4.32Å; V682-L695 HydrophobicContact CG1-CG 3.57Å; N693-L695 VanDerWaalsContact C-N 3.25Å; N693-L695 PolarHBondContact O-N 3.09Å; N693-L695 PolarHBondContact OD1-N 2.81Å; L695-A698 PolarHBondContact O-N 3.29Å; L695-A699 VanDerWaalsContact O-CB 3.28Å; L695-A699 WeakPolarHBondContact O-CB 3.37Å; L695-A699 PolarHBondContact O-N 3.47Å; L695-C712 HydrophobicContact CD2-CB 3.93Å; L695-L716 HydrophobicContact CD1-CD2 4.43Å
696Q84.9Confident81Confident86 Ų8645.3 Ų45.340%0.40225%0.245SC..Hα-helixtrans-66.7-40.9178.2-75.9165.93.600111.3F692 N693 A699 Q700F692-Q696 HydrophobicContact CD1-CB 3.98Å; N693-Q696 PolarHBondContact O-N 3.43Å; N693-Q696 VanDerWaalsContact O-N 3.14Å; N693-Q696 WeakPolarHBondContact OD1-CB 3.3Å; N693-Q696 WeakPolarHBondContact OD1-CG 3.38Å; N693-Q696 PolarHBondContact OD1-N 3.33Å; Q696-A699 PolarHBondContact O-N 2.91Å; Q696-Q700 WeakPolarHBondContact O-CB 3.4Å; Q696-Q700 PolarHBondContact O-N 3.21Å
697L85.7Confident81.7Confident1 Ų146.4 Ų46.41%0.00525%0.249CC..Hα-helixtrans-64.3-44.5175.6-68171.7000111.7L563 T625 L628 I629 C632 F692 N693 C694 A699 Q700 S701L563-L697 HydrophobicContact CD2-CD2 4.13Å; T625-L697 HydrophobicContact CG2-CD1 3.54Å; L628-L697 HydrophobicContact CB-CB 4.09Å; L628-L697 HydrophobicContact CB-CD1 4.5Å; L628-L697 HydrophobicContact CD1-CB 4.38Å; I629-L697 HydrophobicContact CG1-CD1 4.18Å; I629-L697 HydrophobicContact CG1-CD2 4.44Å; C632-L697 PolarHBondContact SG-O 3Å; F692-L697 HydrophobicContact CB-CD2 3.99Å; F692-L697 HydrophobicContact CB-CG 3.97Å; F692-L697 HydrophobicContact CD2-CD2 4.19Å; F692-L697 HydrophobicContact CG-CD2 4.23Å; N693-L697 PolarHBondContact O-N 3.47Å; N693-L697 VanDerWaalsContact O-N 3.13Å; C694-L697 PolarHBondContact O-N 3.4Å; L697-A699 VanDerWaalsContact C-N 3.34Å; L697-A699 PolarHBondContact O-N 2.93Å; L697-Q700 PolarHBondContact O-N 3.35Å; L697-S701 PolarHBondContact O-N 2.98Å; L697-S701 PolarHBondContact O-OG 3.37Å
698A86.8Confident82.7Confident0 Ų045.3 Ų45.30%024%0.241CC..Hα-helixtrans-63.6-39.6176.200000111.9L628 C694 L695 S701 V702 R703 F706 I707L628-A698 HydrophobicContact CD2-CB 4.21Å; C694-A698 WeakPolarHBondContact O-CB 3.48Å; C694-A698 PolarHBondContact O-N 3.14Å; L695-A698 PolarHBondContact O-N 3.29Å; A698-S701 PolarHBondContact O-N 3.41Å; A698-S701 PolarHBondContact O-OG 2.75Å; A698-V702 PolarHBondContact O-N 3.32Å; A698-V702 VanDerWaalsContact O-N 3.09Å; A698-R703 HydrophobicContact CB-CB 4.29Å; A698-R703 PolarHBondContact O-N 3.29Å; A698-F706 HydrophobicContact CB-CD1 3.49Å; A698-F706 VanDerWaalsContact CB-CD1 3.49Å; A698-F706 HydrophobicContact CB-CE1 4.07Å; A698-F706 HydrophobicContact CB-CG 4.34Å; A698-I707 HydrophobicContact CB-CD1 4.26Å; A698-I707 HydrophobicContact CB-CG1 3.9Å
699A84.3Confident83.7Confident57 Ų5742.5 Ų42.547%0.47123%0.227SC..Hα-helixtrans-65.7-41.617700000111.9L695 Q696 L697 S701 V702 I707L695-A699 VanDerWaalsContact O-CB 3.28Å; L695-A699 WeakPolarHBondContact O-CB 3.37Å; L695-A699 PolarHBondContact O-N 3.47Å; Q696-A699 PolarHBondContact O-N 2.91Å; L697-A699 VanDerWaalsContact C-N 3.34Å; L697-A699 PolarHBondContact O-N 2.93Å; A699-S701 VanDerWaalsContact C-N 3.32Å; A699-S701 PolarHBondContact O-N 3.03Å; A699-V702 PolarHBondContact O-N 2.94Å; A699-V702 VanDerWaalsContact O-N 3.11Å; A699-I707 HydrophobicContact CB-CD1 4.39Å
700Q81Confident84.2Confident78 Ų7847.9 Ų47.936%0.36425%0.252SS..Hα-helixtrans-63.7-36.1178.9-177.8167.8-8.900113M562 L563 Q696 L697 V702M562-Q700 PolarHBondContact O-NE2 3.06Å; L563-Q700 PolarHBondContact O-NE2 2.79Å; L563-Q700 PolarHBondContact O-OE1 3.49Å; Q696-Q700 WeakPolarHBondContact O-CB 3.4Å; Q696-Q700 PolarHBondContact O-N 3.21Å; L697-Q700 PolarHBondContact O-N 3.35Å; Q700-V702 VanDerWaalsContact C-N 3.33Å
701S79Confident85.2Confident3 Ų347.1 Ų47.12%0.02124%0.244CC..THydrogen-bonded Turntrans-89.54175.948.40000113.7C632 L697 A698 A699 R703C632-S701 VanDerWaalsContact SG-CB 3.6Å; L697-S701 PolarHBondContact O-N 2.98Å; L697-S701 PolarHBondContact O-OG 3.37Å; A698-S701 PolarHBondContact O-N 3.41Å; A698-S701 PolarHBondContact O-OG 2.75Å; A699-S701 VanDerWaalsContact C-N 3.32Å; A699-S701 PolarHBondContact O-N 3.03Å; S701-R703 VanDerWaalsContact C-N 3.3Å; S701-R703 PolarHBondContact O-N 2.75Å; S701-R703 PolarHBondContact O-NE 2.76Å; S701-R703 PolarHBondContact O-NH2 2.95Å; S701-R703 VanDerWaalsContact OG-CG 3.22Å; S701-R703 WeakPolarHBondContact OG-CG 3.37Å
702V82.8Confident85.8Confident87 Ų8746.1 Ų46.153%0.52723%0.233SC..THydrogen-bonded Turntrans54.743.9-179.6-162.50000111.8A698 A699 Q700 R704A698-V702 PolarHBondContact O-N 3.32Å; A698-V702 VanDerWaalsContact O-N 3.09Å; A699-V702 PolarHBondContact O-N 2.94Å; A699-V702 VanDerWaalsContact O-N 3.11Å; Q700-V702 VanDerWaalsContact C-N 3.33Å; V702-R704 PolarHBondContact O-N 3.35Å
703R86.7Confident86.3Confident50 Ų5048.8 Ų48.819%0.18925%0.246CC..  trans-85.486-178.9-64.1-57.499.6-165.77.5111.2C631 V656 E660 A698 S701 F706 I707C631-R703 HydrophobicContact CB-CG 4.25Å; V656-R703 VanDerWaalsContact CG1-NH1 3.34Å; E660-R703 WeakPolarHBondContact OE1-CB 3.4Å; E660-R703 VanDerWaalsContact OE2-CD 3.3Å; E660-R703 WeakPolarHBondContact OE2-CD 3.42Å; E660-R703 IonicContact OE2-CZ 3.55Å; E660-R703 IonicContact OE2-NH1 3.52Å; E660-R703 PolarHBondContact OE2-NH1 2.89Å; A698-R703 HydrophobicContact CB-CB 4.29Å; A698-R703 PolarHBondContact O-N 3.29Å; S701-R703 VanDerWaalsContact C-N 3.3Å; S701-R703 PolarHBondContact O-N 2.75Å; S701-R703 PolarHBondContact O-NE 2.76Å; S701-R703 PolarHBondContact O-NH2 2.95Å; S701-R703 VanDerWaalsContact OG-CG 3.22Å; S701-R703 WeakPolarHBondContact OG-CG 3.37Å; R703-F706 HydrophobicContact CB-CB 4.09Å; R703-I707 WeakPolarHBondContact O-CG1 3.4Å; R703-I707 PolarHBondContact O-N 3.38Å
704R85.2Confident86.3Confident176 Ų17650.3 Ų50.366%0.66425%0.254SS*.Hα-helixtrans-66.9-40.2-175.3-62.6-179.4-176.4177.80.7112.1V702 I707 S708V702-R704 PolarHBondContact O-N 3.35Å; R704-I707 PolarHBondContact O-N 2.97Å; R704-S708 WeakPolarHBondContact O-CB 3.32Å; R704-S708 PolarHBondContact O-N 3.46Å; R704-S708 PolarHBondContact O-OG 3.13Å
705K88.4Confident86.3Confident99 Ų9950.2 Ų50.243%0.4325%0.253SS..Hα-helixtrans-64.2-45.1-178.3-60.4179.5176.7179.90110.2E657 E660 I664 I707 S708 S709E657-K705 IonicContact OE1-NZ 3.65Å; E657-K705 PolarHBondContact OE1-NZ 3.42Å; E660-K705 HydrophobicContact CG-CB 4.46Å; E660-K705 WeakPolarHBondContact OE1-CB 3.49Å; E660-K705 PolarHBondContact OE1-N 2.82Å; I664-K705 HydrophobicContact CD1-CB 3.75Å; K705-I707 PolarHBondContact O-N 2.8Å; K705-S708 WeakPolarHBondContact CA-OG 3.29Å; K705-S708 PolarHBondContact O-N 3.39Å; K705-S708 PolarHBondContact O-OG 3.11Å; K705-S709 PolarHBondContact O-N 3.02Å
706F91.2Very high86.3Confident0 Ų052.7 Ų52.70%027%0.267CS..Hα-helixtrans-61.3-45.6176.8-174-91.8000113L624 L628 E660 A663 I664 L667 A698 R703 S708 S709 C712L624-F706 HydrophobicContact CD1-CE2 3.77Å; L624-F706 HydrophobicContact CD1-CZ 3.98Å; L628-F706 HydrophobicContact CD1-CE1 3.92Å; L628-F706 HydrophobicContact CD1-CE2 4.46Å; L628-F706 HydrophobicContact CD1-CZ 3.86Å; L628-F706 HydrophobicContact CD2-CD1 4.07Å; L628-F706 HydrophobicContact CD2-CD2 4.02Å; L628-F706 HydrophobicContact CD2-CE1 4.19Å; L628-F706 HydrophobicContact CD2-CE2 4.17Å; L628-F706 HydrophobicContact CD2-CG 3.96Å; L628-F706 HydrophobicContact CD2-CZ 4.24Å; L628-F706 HydrophobicContact CG-CZ 4.47Å; E660-F706 HydrophobicContact CG-CB 4.43Å; E660-F706 PolarHBondContact OE1-N 3.12Å; A663-F706 HydrophobicContact CB-CD2 3.86Å; A663-F706 HydrophobicContact CB-CE2 3.81Å; I664-F706 HydrophobicContact CG1-CB 4.27Å; I664-F706 HydrophobicContact CG1-CD2 3.91Å; L667-F706 HydrophobicContact CB-CE2 4.4Å; L667-F706 HydrophobicContact CD2-CE1 4.41Å; L667-F706 HydrophobicContact CD2-CE2 3.76Å; L667-F706 HydrophobicContact CD2-CZ 3.68Å; A698-F706 HydrophobicContact CB-CD1 3.49Å; A698-F706 VanDerWaalsContact CB-CD1 3.49Å; A698-F706 HydrophobicContact CB-CE1 4.07Å; A698-F706 HydrophobicContact CB-CG 4.34Å; R703-F706 HydrophobicContact CB-CB 4.09Å; F706-S708 VanDerWaalsContact C-N 3.27Å; F706-S708 PolarHBondContact O-N 3Å; F706-S709 VanDerWaalsContact O-CB 3.27Å; F706-S709 WeakPolarHBondContact O-CB 3.41Å; F706-S709 PolarHBondContact O-N 3.42Å; F706-S709 PolarHBondContact O-OG 3.11Å; F706-C712 VanDerWaalsContact CE1-SG 3.54Å; F706-C712 PolarHBondContact O-SG 2.87Å
707I89.4Confident86.2Confident45 Ų4552.7 Ų52.723%0.23127%0.269CS..Hα-helixtrans-66.8-31.2178.9-65168.9000111.3A698 A699 R703 R704 K705 S709 C712 Q713 L716A698-I707 HydrophobicContact CB-CD1 4.26Å; A698-I707 HydrophobicContact CB-CG1 3.9Å; A699-I707 HydrophobicContact CB-CD1 4.39Å; R703-I707 WeakPolarHBondContact O-CG1 3.4Å; R703-I707 PolarHBondContact O-N 3.38Å; R704-I707 PolarHBondContact O-N 2.97Å; K705-I707 PolarHBondContact O-N 2.8Å; I707-S709 PolarHBondContact O-N 3.49Å; I707-C712 VanDerWaalsContact O-CB 3.29Å; I707-C712 WeakPolarHBondContact O-CB 3.37Å; I707-Q713 PolarHBondContact O-NE2 3.04Å; I707-L716 HydrophobicContact CG2-CD1 4.34Å
708S88.8Confident86Confident79 Ų7955.5 Ų55.555%0.55228%0.282SS*.Hα-helixtrans-74-9.217661.80000114.7R704 K705 F706R704-S708 WeakPolarHBondContact O-CB 3.32Å; R704-S708 PolarHBondContact O-N 3.46Å; R704-S708 PolarHBondContact O-OG 3.13Å; K705-S708 WeakPolarHBondContact CA-OG 3.29Å; K705-S708 PolarHBondContact O-N 3.39Å; K705-S708 PolarHBondContact O-OG 3.11Å; F706-S708 VanDerWaalsContact C-N 3.27Å; F706-S708 PolarHBondContact O-N 3Å
709S89.3Confident85.8Confident6 Ų657.8 Ų57.84%0.04230%0.301CS..SBendtrans-58.8149.4176.267.10000111.8L667 K705 F706 I707 A711 C712 Q713L667-S709 WeakPolarHBondContact CD2-OG 3.48Å; K705-S709 PolarHBondContact O-N 3.02Å; F706-S709 VanDerWaalsContact O-CB 3.27Å; F706-S709 WeakPolarHBondContact O-CB 3.41Å; F706-S709 PolarHBondContact O-N 3.42Å; F706-S709 PolarHBondContact O-OG 3.11Å; I707-S709 PolarHBondContact O-N 3.49Å; S709-A711 VanDerWaalsContact C-N 3.29Å; S709-A711 PolarHBondContact O-N 3.05Å; S709-C712 PolarHBondContact O-N 3.39Å; S709-C712 WeakPolarHBondContact OG-CB 3.28Å; S709-C712 PolarHBondContact OG-SG 3.43Å; S709-C712 VanDerWaalsContact OG-SG 3.36Å; S709-Q713 WeakPolarHBondContact O-CG 3.49Å; S709-Q713 PolarHBondContact O-N 3.17Å
710Q87.4Confident85.8Confident114 Ų11458.3 Ų58.353%0.53329%0.29SS..Hα-helixtrans-58.7-40.4-175.3-172.462.841.900112.3Q713 N714Q710-Q713 PolarHBondContact O-N 3.24Å; Q710-N714 PolarHBondContact NE2-OD1 2.92Å; Q710-N714 WeakPolarHBondContact O-CB 3.35Å; Q710-N714 PolarHBondContact O-N 2.89Å; Q710-N714 PolarHBondContact O-ND2 2.98Å; Q710-N714 PolarHBondContact O-OD1 3.36Å
711A87.2Confident85.7Confident7 Ų755.1 Ų55.16%0.05828%0.276CS..Hα-helixtrans-63.9-43.8179.200000112.3L667 N671 T678 S709 N714 S715L667-A711 HydrophobicContact CD1-CB 4.05Å; L667-A711 HydrophobicContact CD2-CB 3.94Å; L667-A711 HydrophobicContact CG-CB 3.81Å; N671-A711 HydrophobicContact CB-CB 4.12Å; T678-A711 HydrophobicContact CG2-CB 3.86Å; S709-A711 VanDerWaalsContact C-N 3.29Å; S709-A711 PolarHBondContact O-N 3.05Å; A711-N714 PolarHBondContact O-N 3.44Å; A711-S715 PolarHBondContact O-N 2.84Å
712C89Confident85.5Confident0 Ų058.4 Ų58.40%029%0.291CS..Hα-helixtrans-63.7-42.9175.1-74.10000111.7L695 F706 I707 S709 S715 L716L695-C712 HydrophobicContact CD2-CB 3.93Å; F706-C712 VanDerWaalsContact CE1-SG 3.54Å; F706-C712 PolarHBondContact O-SG 2.87Å; I707-C712 VanDerWaalsContact O-CB 3.29Å; I707-C712 WeakPolarHBondContact O-CB 3.37Å; S709-C712 PolarHBondContact O-N 3.39Å; S709-C712 WeakPolarHBondContact OG-CB 3.28Å; S709-C712 PolarHBondContact OG-SG 3.43Å; S709-C712 VanDerWaalsContact OG-SG 3.36Å; C712-S715 PolarHBondContact O-N 3.46Å; C712-L716 WeakPolarHBondContact O-CG 3.26Å; C712-L716 PolarHBondContact O-N 3.31Å
713Q88.7Confident84.9Confident83 Ų8354.9 Ų54.939%0.38827%0.272SS..Hα-helixtrans-64.4-40.4176.4-67-58.7-55.100112I707 S709 Q710 L716 D717I707-Q713 PolarHBondContact O-NE2 3.04Å; S709-Q713 WeakPolarHBondContact O-CG 3.49Å; S709-Q713 PolarHBondContact O-N 3.17Å; Q710-Q713 PolarHBondContact O-N 3.24Å; Q713-L716 PolarHBondContact O-N 3.29Å; Q713-D717 WeakPolarHBondContact O-CB 3.34Å; Q713-D717 PolarHBondContact O-N 2.96Å
714N84.3Confident84.3Confident57 Ų5752.8 Ų52.831%0.30527%0.265SS..Hα-helixtrans-62.8-42.1174.7-70.5-12.5000111.6L679 Q710 A711 D717 F718L679-N714 HydrophobicContact CD1-CB 4.44Å; Q710-N714 PolarHBondContact NE2-OD1 2.92Å; Q710-N714 WeakPolarHBondContact O-CB 3.35Å; Q710-N714 PolarHBondContact O-N 2.89Å; Q710-N714 PolarHBondContact O-ND2 2.98Å; Q710-N714 PolarHBondContact O-OD1 3.36Å; A711-N714 PolarHBondContact O-N 3.44Å; N714-D717 PolarHBondContact O-N 2.88Å; N714-F718 VanDerWaalsContact O-CB 3.25Å; N714-F718 WeakPolarHBondContact O-CB 3.4Å; N714-F718 PolarHBondContact O-N 3.44Å
715S85.2Confident83.6Confident2 Ų251.2 Ų51.21%0.01426%0.259CS..Hα-helixtrans-63.3-43.9174.4172.60000111.9E683 A711 C712 F718 A719E683-S715 WeakPolarHBondContact CG-OG 3.38Å; E683-S715 PolarHBondContact OE1-OG 3.46Å; A711-S715 PolarHBondContact O-N 2.84Å; C712-S715 PolarHBondContact O-N 3.46Å; S715-F718 PolarHBondContact O-N 3.07Å; S715-A719 WeakPolarHBondContact O-CB 3.42Å; S715-A719 PolarHBondContact O-N 3.4Å
716L86Confident82.8Confident77 Ų7747.1 Ų47.140%0.40324%0.244SC..Hα-helixtrans-63.9-41.9176.5-71.2171.1000112.3L695 I707 C712 Q713 A719 W720L695-L716 HydrophobicContact CD1-CD2 4.43Å; I707-L716 HydrophobicContact CG2-CD1 4.34Å; C712-L716 WeakPolarHBondContact O-CG 3.26Å; C712-L716 PolarHBondContact O-N 3.31Å; Q713-L716 PolarHBondContact O-N 3.29Å; L716-A719 PolarHBondContact O-N 3.35Å; L716-W720 VanDerWaalsContact O-CB 3.31Å; L716-W720 WeakPolarHBondContact O-CB 3.42Å; L716-W720 PolarHBondContact O-N 3.17Å
717D83.6Confident82.1Confident86 Ų8653 Ų5346%0.4628%0.275SS..Hα-helixtrans-67.2-38.7176-171.640.8000111.6Q713 N714 W720 C721Q713-D717 WeakPolarHBondContact O-CB 3.34Å; Q713-D717 PolarHBondContact O-N 2.96Å; N714-D717 PolarHBondContact O-N 2.88Å; D717-W720 PolarHBondContact O-N 3.39Å; D717-C721 VanDerWaalsContact O-CB 3.27Å; D717-C721 WeakPolarHBondContact O-CB 3.36Å; D717-C721 PolarHBondContact O-N 3.26Å; D717-C721 PolarHBondContact O-SG 3.18Å; D717-C721 VanDerWaalsContact O-SG 3.41Å
718F81.9Confident81.6Confident60 Ų6052.7 Ų52.726%0.26327%0.273SS..Hα-helixtrans-62.2-46.4173.7-176.4-98000111.7L679 N714 S715 W720 C721 H722 R753L679-F718 HydrophobicContact CD1-CB 4.06Å; L679-F718 HydrophobicContact CD1-CG 4.4Å; L679-F718 HydrophobicContact CD2-CB 4.44Å; L679-F718 HydrophobicContact CD2-CD1 3.72Å; L679-F718 HydrophobicContact CD2-CE1 4.1Å; L679-F718 HydrophobicContact CD2-CG 4.04Å; N714-F718 VanDerWaalsContact O-CB 3.25Å; N714-F718 WeakPolarHBondContact O-CB 3.4Å; N714-F718 PolarHBondContact O-N 3.44Å; S715-F718 PolarHBondContact O-N 3.07Å; F718-W720 VanDerWaalsContact C-N 3.31Å; F718-W720 PolarHBondContact O-N 2.9Å; F718-C721 PolarHBondContact O-N 3.15Å; F718-H722 PolarHBondContact O-N 3.43Å; F718-R753 HydrophobicContact CE1-CG 4.35Å; F718-R753 HydrophobicContact CZ-CG 4.48Å
719A82.8Confident81.2Confident48 Ų4855.6 Ų55.640%0.39728%0.282SS..Hα-helixtrans-61.9-38.2175.600000112.1S715 L716S715-A719 WeakPolarHBondContact O-CB 3.42Å; S715-A719 PolarHBondContact O-N 3.4Å; L716-A719 PolarHBondContact O-N 3.35Å
720W84Confident80.9Confident68 Ų6857.6 Ų57.626%0.25829%0.294SS..Hα-helixtrans-67.4-44.4176.7176.3-113.8000113.1L716 D717 F718 M728 P806 K807 F810 Y928L716-W720 VanDerWaalsContact O-CB 3.31Å; L716-W720 WeakPolarHBondContact O-CB 3.42Å; L716-W720 PolarHBondContact O-N 3.17Å; D717-W720 PolarHBondContact O-N 3.39Å; F718-W720 VanDerWaalsContact C-N 3.31Å; F718-W720 PolarHBondContact O-N 2.9Å; W720-M728 HydrophobicContact CZ2-CE 4.35Å; W720-P806 HydrophobicContact CE3-CB 3.76Å; W720-P806 HydrophobicContact CZ3-CB 4.02Å; W720-P806 WeakPolarHBondContact O-CD 3.5Å; W720-K807 HydrophobicContact CD2-CB 4.18Å; W720-K807 HydrophobicContact CG-CB 4.5Å; W720-K807 HydrophobicContact CZ2-CB 4.07Å; W720-K807 HydrophobicContact CZ2-CG 4.17Å; W720-K807 WeakPolarHBondContact O-CB 3.35Å; W720-K807 PolarHBondContact O-N 3.04Å; W720-F810 HydrophobicContact CH2-CB 3.49Å; W720-F810 VanDerWaalsContact CH2-CB 3.49Å; W720-F810 HydrophobicContact CH2-CD1 4.09Å; W720-F810 HydrophobicContact CH2-CD2 4.28Å; W720-F810 AromaticContact CH2-CG 3.7Å; W720-F810 HydrophobicContact CH2-CG 3.7Å; W720-F810 HydrophobicContact CZ2-CB 4.2Å; W720-F810 HydrophobicContact CZ2-CD1 4.25Å; W720-F810 HydrophobicContact CZ2-CG 4.31Å; W720-F810 HydrophobicContact CZ3-CB 4.33Å; W720-Y928 HydrophobicContact CZ2-CD2 4.01Å; W720-Y928 HydrophobicContact CZ2-CE2 4.36Å
721C79.5Confident80.7Confident10 Ų1052.1 Ų52.17%0.06827%0.268CS..Hα-helixtrans-78.1-24.7-178.3-73.30000112.9D717 F718 G723 M724D717-C721 VanDerWaalsContact O-CB 3.27Å; D717-C721 WeakPolarHBondContact O-CB 3.36Å; D717-C721 PolarHBondContact O-N 3.26Å; D717-C721 PolarHBondContact O-SG 3.18Å; D717-C721 VanDerWaalsContact O-SG 3.41Å; F718-C721 PolarHBondContact O-N 3.15Å; C721-G723 PolarHBondContact O-N 3.32Å; C721-M724 VanDerWaalsContact CB-O 3.28Å; C721-M724 WeakPolarHBondContact CB-O 3.47Å; C721-M724 WeakPolarHBondContact O-CB 3.5Å; C721-M724 PolarHBondContact O-N 2.78Å
722H74.7Confident80.4Confident72 Ų7252.4 Ų52.433%0.33327%0.27SS..THydrogen-bonded Turntrans5139.8-180-15277.8000113.8F718 A805F718-H722 PolarHBondContact O-N 3.43Å; H722-A805 HydrophobicContact CB-CB 3.91Å
723G68.8Low80.2Confident13 Ų1355.8 Ų55.813%0.13429%0.29CS..THydrogen-bonded Turntrans82.913.5-177.200000114.9C721 E750C721-G723 PolarHBondContact O-N 3.32Å; G723-E750 PolarHBondContact O-N 3.38Å
724M74.7Confident79.9Confident6 Ų652 Ų523%0.0327%0.272CS..EExtended strand (participates in β ladder)trans-121.2110.2-175.8-157.1-170.6134.400111.5C721 A726 T731 L747 W749 F802 T808C721-M724 VanDerWaalsContact CB-O 3.28Å; C721-M724 WeakPolarHBondContact CB-O 3.47Å; C721-M724 WeakPolarHBondContact O-CB 3.5Å; C721-M724 PolarHBondContact O-N 2.78Å; M724-A726 HydrophobicContact CE-CB 4.11Å; M724-T731 HydrophobicContact CE-CG2 4.3Å; M724-L747 HydrophobicContact CE-CD1 3.52Å; M724-L747 HydrophobicContact CE-CD2 3.57Å; M724-L747 HydrophobicContact CE-CG 3.94Å; M724-L747 HydrophobicContact CG-CD2 3.33Å; M724-L747 HydrophobicContact CG-CG 4.04Å; M724-L747 HydrophobicContact SD-CD2 3.82Å; M724-W749 HydrophobicContact CG-CE3 4.3Å; M724-W749 HydrophobicContact CG-CH2 4.41Å; M724-W749 HydrophobicContact CG-CZ3 4.02Å; M724-W749 HydrophobicContact SD-CH2 4.46Å; M724-W749 HydrophobicContact SD-CZ3 4.43Å; M724-F802 HydrophobicContact CE-CD2 3.34Å; M724-F802 HydrophobicContact CE-CE2 3.27Å; M724-F802 HydrophobicContact SD-CD2 3.43Å; M724-F802 WeakPolarHBondContact SD-CD2 3.44Å; M724-F802 HydrophobicContact SD-CE2 3.99Å; M724-F802 HydrophobicContact SD-CG 4.36Å; M724-T808 HydrophobicContact CE-CG2 4.39Å; M724-T808 HydrophobicContact SD-CG2 4.26Å
725R69.8Low79.9Confident143 Ų14350.5 Ų50.554%0.5426%0.264SS..EExtended strand (participates in β ladder)trans-98.8101.5176.5-89.3178.6169.7158.5-8110.3S748 E750R725-S748 WeakPolarHBondContact CB-OG 3.45Å; R725-S748 PolarHBondContact N-O 2.81Å; R725-S748 PolarHBondContact O-OG 3.06Å; R725-E750 WeakPolarHBondContact CD-OE2 3.31Å; R725-E750 IonicContact CZ-OE2 3.88Å; R725-E750 VanDerWaalsContact CZ-OE2 3.31Å; R725-E750 IonicContact NE-OE2 3.79Å; R725-E750 IonicContact NH1-OE1 3.01Å; R725-E750 PolarHBondContact NH1-OE1 2.68Å; R725-E750 VanDerWaalsContact NH1-OE1 3.14Å; R725-E750 IonicContact NH1-OE2 2.58Å; R725-E750 PolarHBondContact NH1-OE2 3.17Å
726A71.8Confident79.8Confident13 Ų1356.4 Ų56.411%0.10729%0.294CS..  trans-149.1151.1174.400000111.5M724 V730 L747 K807M724-A726 HydrophobicContact CE-CB 4.11Å; A726-V730 HydrophobicContact CB-CB 4.47Å; A726-V730 HydrophobicContact CB-CG1 4.36Å; A726-L747 HydrophobicContact CB-CD1 3.64Å; A726-L747 HydrophobicContact CB-CG 4.24Å; A726-K807 WeakPolarHBondContact O-CE 3.44Å; A726-K807 PolarHBondContact O-NZ 2.71Å
727N78.4Confident79.8Confident125 Ų12556.2 Ų56.267%0.66829%0.293SS*.  trans-69.2155172.6-74.3-18.3000111.1L729 V730 T731N727-L729 PolarHBondContact O-N 2.8Å; N727-V730 HydrophobicContact CB-CG2 4.25Å; N727-V730 PolarHBondContact O-N 2.92Å; N727-V730 VanDerWaalsContact O-N 3.12Å; N727-T731 PolarHBondContact O-N 3.48Å; N727-T731 PolarHBondContact O-OG1 3.12Å
728M78.2Confident79.5Confident37 Ų3754.7 Ų54.718%0.18229%0.288CS..Hα-helixtrans-57.9-37.5-179.1-170.868.392.800112.1W720 T731 S732 F810 C811 Y928W720-M728 HydrophobicContact CZ2-CE 4.35Å; M728-T731 WeakPolarHBondContact O-CB 3.38Å; M728-T731 PolarHBondContact O-N 3.02Å; M728-S732 PolarHBondContact O-N 2.71Å; M728-S732 PolarHBondContact O-OG 3.2Å; M728-F810 HydrophobicContact CE-CD1 3.67Å; M728-F810 HydrophobicContact CE-CE1 3.81Å; M728-C811 HydrophobicContact SD-CB 4.05Å; M728-Y928 HydrophobicContact CE-CD1 4.09Å; M728-Y928 HydrophobicContact CE-CD2 4.04Å; M728-Y928 HydrophobicContact CE-CE1 3.46Å; M728-Y928 VanDerWaalsContact CE-CE1 3.46Å; M728-Y928 HydrophobicContact CE-CE2 3.41Å; M728-Y928 VanDerWaalsContact CE-CE2 3.41Å; M728-Y928 HydrophobicContact CE-CG 4.36Å; M728-Y928 VanDerWaalsContact CE-OH 3.25Å; M728-Y928 WeakPolarHBondContact CE-OH 3.32Å
729L80.6Confident79.5Confident140 Ų14057.6 Ų57.673%0.73330%0.301SS*.Hα-helixtrans-64.4-45.5175.7-68.1174.9000112.3N727 T731 S732 V733N727-L729 PolarHBondContact O-N 2.8Å; L729-T731 VanDerWaalsContact C-N 3.29Å; L729-T731 PolarHBondContact O-N 3Å; L729-S732 VanDerWaalsContact O-CB 3.32Å; L729-S732 WeakPolarHBondContact O-CB 3.35Å; L729-S732 PolarHBondContact O-N 2.91Å; L729-S732 VanDerWaalsContact O-N 3.12Å; L729-V733 WeakPolarHBondContact O-CG2 3.36Å; L729-V733 PolarHBondContact O-N 3.17Å
730V81.9Confident79.3Confident48 Ų4856.8 Ų56.829%0.29129%0.29SS..Hα-helixtrans-62-42.4177.41780000110.1A726 N727 S732 V733 I734 I746A726-V730 HydrophobicContact CB-CB 4.47Å; A726-V730 HydrophobicContact CB-CG1 4.36Å; N727-V730 HydrophobicContact CB-CG2 4.25Å; N727-V730 PolarHBondContact O-N 2.92Å; N727-V730 VanDerWaalsContact O-N 3.12Å; V730-S732 VanDerWaalsContact C-N 3.3Å; V730-S732 PolarHBondContact O-N 2.74Å; V730-V733 PolarHBondContact O-N 3.32Å; V730-I734 HydrophobicContact CG1-CD1 3.84Å; V730-I734 HydrophobicContact CG1-CG1 4.48Å; V730-I734 VanDerWaalsContact O-CG1 3.23Å; V730-I734 WeakPolarHBondContact O-CG1 3.32Å; V730-I734 PolarHBondContact O-N 3.22Å; V730-I746 HydrophobicContact CG1-CG2 3.59Å
731T82.8Confident78.9Confident0 Ų053.8 Ų53.80%028%0.279CS..Hα-helixtrans-60.2-40.6175.2-46.70000111.7M724 N727 M728 L729 I734 L735 F802 T808M724-T731 HydrophobicContact CE-CG2 4.3Å; N727-T731 PolarHBondContact O-N 3.48Å; N727-T731 PolarHBondContact O-OG1 3.12Å; M728-T731 WeakPolarHBondContact O-CB 3.38Å; M728-T731 PolarHBondContact O-N 3.02Å; L729-T731 VanDerWaalsContact C-N 3.29Å; L729-T731 PolarHBondContact O-N 3Å; T731-I734 PolarHBondContact O-N 2.95Å; T731-L735 PolarHBondContact O-N 3.47Å; T731-F802 HydrophobicContact CG2-CE2 4.14Å; T731-F802 HydrophobicContact CG2-CZ 4.11Å; T731-T808 HydrophobicContact CG2-CG2 3.6Å
732S82.5Confident78.5Confident13 Ų1361.2 Ų61.29%0.09131%0.306CS..Hα-helixtrans-65.1-43.9176.5-55.40000112.1M728 L729 V730 I734 L735 I736 C811M728-S732 PolarHBondContact O-N 2.71Å; M728-S732 PolarHBondContact O-OG 3.2Å; L729-S732 VanDerWaalsContact O-CB 3.32Å; L729-S732 WeakPolarHBondContact O-CB 3.35Å; L729-S732 PolarHBondContact O-N 2.91Å; L729-S732 VanDerWaalsContact O-N 3.12Å; V730-S732 VanDerWaalsContact C-N 3.3Å; V730-S732 PolarHBondContact O-N 2.74Å; S732-I734 VanDerWaalsContact C-N 3.33Å; S732-I734 PolarHBondContact O-N 3.15Å; S732-L735 WeakPolarHBondContact O-CB 3.41Å; S732-L735 PolarHBondContact O-N 3Å; S732-I736 WeakPolarHBondContact O-CG1 3.38Å; S732-I736 PolarHBondContact O-N 2.86Å; S732-C811 PolarHBondContact OG-SG 3.4Å
733V84.6Confident78.4Confident71 Ų7163.1 Ų63.143%0.4331%0.314SS..Hα-helixtrans-63.7-41.71781720000110.6L729 V730 L735 I736 L737 L740L729-V733 WeakPolarHBondContact O-CG2 3.36Å; L729-V733 PolarHBondContact O-N 3.17Å; V730-V733 PolarHBondContact O-N 3.32Å; V733-L735 VanDerWaalsContact C-N 3.32Å; V733-L735 PolarHBondContact O-N 3.43Å; V733-I736 PolarHBondContact O-N 3.3Å; V733-L737 HydrophobicContact CG1-CD1 4.46Å; V733-L737 PolarHBondContact O-N 2.91Å; V733-L740 HydrophobicContact CG1-CD1 3.69Å
734I83Confident78.2Confident2 Ų266.1 Ų66.11%0.0133%0.327CS..Hα-helixtrans-67.3-33.7177.2-66170.7000111.8V730 T731 S732 I736 L737 P738 L740 L741 I746 L747 F802V730-I734 HydrophobicContact CG1-CD1 3.84Å; V730-I734 HydrophobicContact CG1-CG1 4.48Å; V730-I734 VanDerWaalsContact O-CG1 3.23Å; V730-I734 WeakPolarHBondContact O-CG1 3.32Å; V730-I734 PolarHBondContact O-N 3.22Å; T731-I734 PolarHBondContact O-N 2.95Å; S732-I734 VanDerWaalsContact C-N 3.33Å; S732-I734 PolarHBondContact O-N 3.15Å; I734-I736 VanDerWaalsContact C-N 3.3Å; I734-I736 PolarHBondContact O-N 3.24Å; I734-L737 CarbonylContact O-C 3.49Å; I734-L737 PolarHBondContact O-N 3.42Å; I734-P738 WeakPolarHBondContact O-CA 3.29Å; I734-L740 HydrophobicContact CG1-CB 4.05Å; I734-L740 HydrophobicContact CG1-CD1 4.42Å; I734-L741 HydrophobicContact CG2-CD1 4.26Å; I734-L741 HydrophobicContact CG2-CD2 3.68Å; I734-L741 HydrophobicContact CG2-CG 3.6Å; I734-I746 HydrophobicContact CD1-CG2 4.2Å; I734-L747 HydrophobicContact CD1-CD1 3.3Å; I734-F802 HydrophobicContact CB-CE2 4.08Å; I734-F802 HydrophobicContact CB-CZ 3.98Å; I734-F802 HydrophobicContact CG2-CD2 4.28Å; I734-F802 HydrophobicContact CG2-CE1 4.21Å; I734-F802 HydrophobicContact CG2-CE2 3.54Å; I734-F802 HydrophobicContact CG2-CZ 3.52Å
735L84.2Confident77.7Confident26 Ų2675.1 Ų75.114%0.13637%0.369CS..Hα-helixtrans-61.2-37.4173-98.5157.8000112.6T731 S732 V733 F802 Y803 C811 L812T731-L735 PolarHBondContact O-N 3.47Å; S732-L735 WeakPolarHBondContact O-CB 3.41Å; S732-L735 PolarHBondContact O-N 3Å; V733-L735 VanDerWaalsContact C-N 3.32Å; V733-L735 PolarHBondContact O-N 3.43Å; L735-F802 HydrophobicContact CD2-CE1 4.39Å; L735-F802 HydrophobicContact CG-CE1 4.01Å; L735-F802 HydrophobicContact CG-CZ 4.13Å; L735-Y803 HydrophobicContact CD2-CE1 4.05Å; L735-C811 HydrophobicContact CD1-CB 3.68Å; L735-C811 VanDerWaalsContact CD1-SG 3.54Å; L735-L812 HydrophobicContact CD1-CB 4.29Å; L735-L812 HydrophobicContact CD2-CB 4.04Å; L735-L812 HydrophobicContact CD2-CD1 3.93Å; L735-L812 HydrophobicContact CD2-CG 4.46Å
736I83.1Confident77.6Confident126 Ų12671.9 Ų71.965%0.64636%0.361SS*.Hα-helixtrans-77.8-36177.6-60.1168.2000110.8S732 V733 I734 P738S732-I736 WeakPolarHBondContact O-CG1 3.38Å; S732-I736 PolarHBondContact O-N 2.86Å; V733-I736 PolarHBondContact O-N 3.3Å; I734-I736 VanDerWaalsContact C-N 3.3Å; I734-I736 PolarHBondContact O-N 3.24Å; I736-P738 WeakPolarHBondContact O-CD 3.43Å
737L84.1Confident77.4Confident73 Ų7371.6 Ų71.638%0.38236%0.358SS..  trans-124.980.1-175.6-66.2150.3000110.1V733 I734 F739 L740V733-L737 HydrophobicContact CG1-CD1 4.46Å; V733-L737 PolarHBondContact O-N 2.91Å; I734-L737 CarbonylContact O-C 3.49Å; I734-L737 PolarHBondContact O-N 3.42Å; L737-F739 HydrophobicContact CB-CD1 4.25Å; L737-F739 HydrophobicContact CB-CE1 3.84Å; L737-F739 HydrophobicContact CB-CZ 4.19Å; L737-F739 HydrophobicContact CD2-CD1 4.28Å; L737-F739 HydrophobicContact CD2-CE1 3.32Å; L737-F739 HydrophobicContact CD2-CZ 3.84Å; L737-F739 HydrophobicContact CG-CE1 4.15Å; L737-F739 HydrophobicContact CG-CZ 4.49Å; L737-F739 PolarHBondContact O-N 3.08Å; L737-F739 VanDerWaalsContact O-N 3.08Å; L737-L740 HydrophobicContact CB-CD1 3.81Å; L737-L740 HydrophobicContact CB-CG 4.09Å; L737-L740 HydrophobicContact CD1-CD1 4.4Å; L737-L740 WeakPolarHBondContact O-CB 3.43Å; L737-L740 WeakPolarHBondContact O-CG 3.35Å; L737-L740 PolarHBondContact O-N 2.93Å; L737-L740 VanDerWaalsContact O-N 3.09Å
738P79.1Confident76.8Confident54 Ų5468.9 Ų68.935%0.35135%0.348SS..G310 helixtrans-62.3-21.8-172.9-22.432.2000114.3I734 I736 L740 L741I734-P738 WeakPolarHBondContact O-CA 3.29Å; I736-P738 WeakPolarHBondContact O-CD 3.43Å; P738-L740 PolarHBondContact O-N 3.32Å; P738-L741 WeakPolarHBondContact O-CB 3.27Å; P738-L741 PolarHBondContact O-N 2.95Å
739F80.1Confident76.3Confident122 Ų12269.3 Ų69.354%0.53535%0.348SS..G310 helixtrans-63.7-20.3177.768.7-102.1000112.9L737 L741 Y742L737-F739 HydrophobicContact CB-CD1 4.25Å; L737-F739 HydrophobicContact CB-CE1 3.84Å; L737-F739 HydrophobicContact CB-CZ 4.19Å; L737-F739 HydrophobicContact CD2-CD1 4.28Å; L737-F739 HydrophobicContact CD2-CE1 3.32Å; L737-F739 HydrophobicContact CD2-CZ 3.84Å; L737-F739 HydrophobicContact CG-CE1 4.15Å; L737-F739 HydrophobicContact CG-CZ 4.49Å; L737-F739 PolarHBondContact O-N 3.08Å; L737-F739 VanDerWaalsContact O-N 3.08Å; F739-L741 PolarHBondContact O-N 3.33Å; F739-Y742 VanDerWaalsContact O-CB 3.29Å; F739-Y742 WeakPolarHBondContact O-CB 3.45Å; F739-Y742 PolarHBondContact O-N 3.37Å; F739-Y742 VanDerWaalsContact O-N 3.09Å
740L79.8Confident75.4Confident31 Ų3166.5 Ų66.516%0.16233%0.331CS..G310 helixtrans-64.3-19177.1-67.2174.4000112.9V733 I734 L737 P738 Y742 F743 I746V733-L740 HydrophobicContact CG1-CD1 3.69Å; I734-L740 HydrophobicContact CG1-CB 4.05Å; I734-L740 HydrophobicContact CG1-CD1 4.42Å; L737-L740 HydrophobicContact CB-CD1 3.81Å; L737-L740 HydrophobicContact CB-CG 4.09Å; L737-L740 HydrophobicContact CD1-CD1 4.4Å; L737-L740 WeakPolarHBondContact O-CB 3.43Å; L737-L740 WeakPolarHBondContact O-CG 3.35Å; L737-L740 PolarHBondContact O-N 2.93Å; L737-L740 VanDerWaalsContact O-N 3.09Å; P738-L740 PolarHBondContact O-N 3.32Å; L740-Y742 PolarHBondContact O-N 3.36Å; L740-Y742 VanDerWaalsContact O-N 3.16Å; L740-F743 HydrophobicContact CD2-CD2 4.4Å; L740-F743 PolarHBondContact O-N 3.2Å; L740-F743 VanDerWaalsContact O-N 3.14Å; L740-I746 HydrophobicContact CD2-CD1 4.14Å
741L75.1Confident74Confident5 Ų567.2 Ų67.23%0.02633%0.334CS..G310 helixtrans-63.6-14.4172.6-71.6170.3000113.7I734 P738 F739 F743 W749 F795 I799 F802I734-L741 HydrophobicContact CG2-CD1 4.26Å; I734-L741 HydrophobicContact CG2-CD2 3.68Å; I734-L741 HydrophobicContact CG2-CG 3.6Å; P738-L741 WeakPolarHBondContact O-CB 3.27Å; P738-L741 PolarHBondContact O-N 2.95Å; F739-L741 PolarHBondContact O-N 3.33Å; L741-F743 VanDerWaalsContact C-N 3.33Å; L741-W749 HydrophobicContact CD2-CH2 4.39Å; L741-W749 HydrophobicContact CD2-CZ2 4.09Å; L741-F795 HydrophobicContact CB-CE2 3.86Å; L741-I799 HydrophobicContact CD1-CG1 3.94Å; L741-F802 HydrophobicContact CD1-CB 4.23Å; L741-F802 HydrophobicContact CD1-CD1 4.31Å; L741-F802 HydrophobicContact CD1-CG 4.13Å; L741-F802 HydrophobicContact CD2-CB 4.22Å; L741-F802 HydrophobicContact CD2-CD2 3.64Å; L741-F802 HydrophobicContact CD2-CE2 4.18Å; L741-F802 HydrophobicContact CD2-CG 3.99Å
742Y71Confident72.6Confident165 Ų16573.6 Ų73.665%0.64736%0.361SS*.G310 helixtrans-74.6-26.2176.1-167.5-95.8000112F739 L740 D744 F795F739-Y742 VanDerWaalsContact O-CB 3.29Å; F739-Y742 WeakPolarHBondContact O-CB 3.45Å; F739-Y742 PolarHBondContact O-N 3.37Å; F739-Y742 VanDerWaalsContact O-N 3.09Å; L740-Y742 PolarHBondContact O-N 3.36Å; L740-Y742 VanDerWaalsContact O-N 3.16Å; Y742-D744 PolarHBondContact O-N 3.43Å; Y742-F795 HydrophobicContact CD2-CD2 4.1Å; Y742-F795 HydrophobicContact CD2-CE2 4.38Å
743F72.1Confident71Confident112 Ų11280 Ų8049%0.49138%0.383SS..  trans-91102.7-178.2-63.4-74.4000111.2L740 L741 H745 I746L740-F743 HydrophobicContact CD2-CD2 4.4Å; L740-F743 PolarHBondContact O-N 3.2Å; L740-F743 VanDerWaalsContact O-N 3.14Å; L741-F743 VanDerWaalsContact C-N 3.33Å; F743-H745 PolarHBondContact O-N 3.27Å; F743-H745 VanDerWaalsContact O-N 3.11Å; F743-I746 HydrophobicContact CB-CD1 3.99Å; F743-I746 HydrophobicContact CB-CG1 4.27Å; F743-I746 PolarHBondContact O-N 2.73Å
744D65.7Low68.8Low76 Ų7680.6 Ų80.641%0.40639%0.389SS..THydrogen-bonded Turntrans-63.8-16-178.1-76.8-23.4000114.5Y742 I746 K798Y742-D744 PolarHBondContact O-N 3.43Å; D744-I746 VanDerWaalsContact C-N 3.35Å; D744-I746 PolarHBondContact O-N 2.8Å; D744-K798 WeakPolarHBondContact OD1-CE 3.45Å; D744-K798 IonicContact OD1-NZ 3.91Å; D744-K798 PolarHBondContact OD1-NZ 2.77Å; D744-K798 IonicContact OD2-NZ 3.14Å; D744-K798 PolarHBondContact OD2-NZ 2.77Å
745H64.8Low66.7Low196 Ų19688.4 Ų88.491%0.90743%0.425SS*.THydrogen-bonded Turntrans-74.9-19.7177.5-87.5-59.3000114.9F743F743-H745 PolarHBondContact O-N 3.27Å; F743-H745 VanDerWaalsContact O-N 3.11Å
746I67.7Low64.4Low75 Ų7591.3 Ų91.339%0.38544%0.443SS..SBendtrans-84.8-21.1-177.3-57.9175.2000110.8V730 I734 L740 F743 D744V730-I746 HydrophobicContact CG1-CG2 3.59Å; I734-I746 HydrophobicContact CD1-CG2 4.2Å; L740-I746 HydrophobicContact CD2-CD1 4.14Å; F743-I746 HydrophobicContact CB-CD1 3.99Å; F743-I746 HydrophobicContact CB-CG1 4.27Å; F743-I746 PolarHBondContact O-N 2.73Å; D744-I746 VanDerWaalsContact C-N 3.35Å; D744-I746 PolarHBondContact O-N 2.8Å
747L66.3Low62Low7 Ų788.2 Ų88.24%0.03743%0.433CS..  trans-138.4117-170.3-137.194.8000111M724 A726 I734 W749M724-L747 HydrophobicContact CE-CD1 3.52Å; M724-L747 HydrophobicContact CE-CD2 3.57Å; M724-L747 HydrophobicContact CE-CG 3.94Å; M724-L747 HydrophobicContact CG-CD2 3.33Å; M724-L747 HydrophobicContact CG-CG 4.04Å; M724-L747 HydrophobicContact SD-CD2 3.82Å; A726-L747 HydrophobicContact CB-CD1 3.64Å; A726-L747 HydrophobicContact CB-CG 4.24Å; I734-L747 HydrophobicContact CD1-CD1 3.3Å; L747-W749 HydrophobicContact CD2-CD2 3.95Å; L747-W749 HydrophobicContact CD2-CE3 4.28Å; L747-W749 HydrophobicContact CD2-CH2 3.63Å; L747-W749 HydrophobicContact CD2-CZ2 3.2Å; L747-W749 HydrophobicContact CD2-CZ3 4.14Å
748S67.1Low59.8Low67 Ų6789.2 Ų89.247%0.46944%0.442SS..EExtended strand (participates in β ladder)trans-82.6123168.652.80000109.7R725R725-S748 WeakPolarHBondContact CB-OG 3.45Å; R725-S748 PolarHBondContact N-O 2.81Å; R725-S748 PolarHBondContact O-OG 3.06Å
749W66Low57.5Low47 Ų4792.9 Ų92.918%0.17846%0.458CS..EExtended strand (participates in β ladder)trans-99.1116.2174.7-59.492.1000107.8M724 L741 L747 K798 M801 F802M724-W749 HydrophobicContact CG-CE3 4.3Å; M724-W749 HydrophobicContact CG-CH2 4.41Å; M724-W749 HydrophobicContact CG-CZ3 4.02Å; M724-W749 HydrophobicContact SD-CH2 4.46Å; M724-W749 HydrophobicContact SD-CZ3 4.43Å; L741-W749 HydrophobicContact CD2-CH2 4.39Å; L741-W749 HydrophobicContact CD2-CZ2 4.09Å; L747-W749 HydrophobicContact CD2-CD2 3.95Å; L747-W749 HydrophobicContact CD2-CE3 4.28Å; L747-W749 HydrophobicContact CD2-CH2 3.63Å; L747-W749 HydrophobicContact CD2-CZ2 3.2Å; L747-W749 HydrophobicContact CD2-CZ3 4.14Å; W749-K798 HydrophobicContact CH2-CB 4.1Å; W749-K798 HydrophobicContact CZ2-CB 3.89Å; W749-K798 HydrophobicContact CZ2-CD 4.36Å; W749-K798 HydrophobicContact CZ2-CG 4.07Å; W749-M801 HydrophobicContact CZ3-CB 4.03Å; W749-F802 HydrophobicContact CH2-CB 4.32Å
750E61.6Low55.2Low80 Ų8092.1 Ų92.137%0.37446%0.456SS..PPolyproline II helixtrans-76133173-143.2101.4-160.800108.1G723 R725 K752 R793G723-E750 PolarHBondContact O-N 3.38Å; R725-E750 WeakPolarHBondContact CD-OE2 3.31Å; R725-E750 IonicContact CZ-OE2 3.88Å; R725-E750 VanDerWaalsContact CZ-OE2 3.31Å; R725-E750 IonicContact NE-OE2 3.79Å; R725-E750 IonicContact NH1-OE1 3.01Å; R725-E750 PolarHBondContact NH1-OE1 2.68Å; R725-E750 VanDerWaalsContact NH1-OE1 3.14Å; R725-E750 IonicContact NH1-OE2 2.58Å; R725-E750 PolarHBondContact NH1-OE2 3.17Å; E750-K752 PolarHBondContact O-N 3.23Å; E750-R793 PolarHBondContact O-NH2 3.29Å; E750-R793 VanDerWaalsContact O-NH2 3.12Å
751D53.3Low53Low64 Ų6496.9 Ų96.934%0.34248%0.478SS..PPolyproline II helixtrans-77.6121.7177.7-98.9-30.7000111R793D751-R793 IonicContact OD1-CZ 3.14Å; D751-R793 IonicContact OD1-NE 3.14Å; D751-R793 PolarHBondContact OD1-NE 3.3Å; D751-R793 IonicContact OD1-NH2 2.78Å; D751-R793 PolarHBondContact OD1-NH2 3.39Å
752K52.6Low51Low133 Ų133104.3 Ų104.358%0.57851%0.512SS*.  trans40.1132.5161.9-66177.4179.8173.30117.3E750 P754E750-K752 PolarHBondContact O-N 3.23Å; K752-P754 WeakPolarHBondContact O-CD 3.37Å
753R49.4Very low49.1Very low148 Ų148101.3 Ų101.356%0.55850%0.504SS*.  trans-41.2122.5147.3-57.6-175.8-149.9-169.64.9106.7F718 H755F718-R753 HydrophobicContact CE1-CG 4.35Å; F718-R753 HydrophobicContact CZ-CG 4.48Å; R753-H755 VanDerWaalsContact C-N 3.32Å; R753-H755 PolarHBondContact O-N 2.95Å
754P39.8Very low47.1Very low83 Ų8398.9 Ų98.954%0.53950%0.498SS..  trans-57.6106.6174.4-12.622.1000105.6K752 V756K752-P754 WeakPolarHBondContact O-CD 3.37Å; P754-V756 PolarHBondContact O-N 3.38Å
755H37.5Very low45.4Very low167 Ų167100 Ų10077%0.77351%0.508SS*.  trans-71.872.3174.6-84.5-75.5000106.9R753 S757R753-H755 VanDerWaalsContact C-N 3.32Å; R753-H755 PolarHBondContact O-N 2.95Å; H755-S757 VanDerWaalsContact C-N 3.27Å; H755-S757 PolarHBondContact O-N 3.48Å
756V37.1Very low43.8Very low86 Ų8693 Ų9352%0.52148%0.484SS..  trans-80.992.7150.7-175.30000103.9P754 V758P754-V756 PolarHBondContact O-N 3.38Å; V756-V758 PolarHBondContact O-N 3.2Å; V756-V758 VanDerWaalsContact O-N 3.08Å
757S31.9Very low41.9Very low62 Ų6298.3 Ų98.343%0.43450%0.499SS..  trans-49122162.855.20000107.4H755 N759 H760H755-S757 VanDerWaalsContact C-N 3.27Å; H755-S757 PolarHBondContact O-N 3.48Å; S757-N759 PolarHBondContact O-N 3.44Å; S757-H760 PolarHBondContact O-N 3.1Å
758V37.8Very low40.3Very low94 Ų94106.4 Ų106.457%0.5753%0.534SS*.G310 helixtrans-47.3-18.1174.2-170.90000112.4Y680 V756 H760 H761Y680-V758 WeakPolarHBondContact OH-CG2 3.44Å; V756-V758 PolarHBondContact O-N 3.2Å; V756-V758 VanDerWaalsContact O-N 3.08Å; V758-H760 PolarHBondContact O-N 3.18Å; V758-H760 VanDerWaalsContact O-N 3.11Å; V758-H761 PolarHBondContact O-N 3.01Å
759N31.9Very low38.5Very low130 Ų130108.3 Ų108.370%0.69554%0.543SS*.G310 helixtrans-58.3-16.4171.3-68.8-6.8000115.5S757S757-N759 PolarHBondContact O-N 3.44Å
760H31.9Very low36.7Very low106 Ų106113.9 Ų113.949%0.49157%0.571SS.*G310 helixtrans-82.6-23.7178.2-101.7-46.3000115.2S757 V758 Q763 T764S757-H760 PolarHBondContact O-N 3.1Å; V758-H760 PolarHBondContact O-N 3.18Å; V758-H760 VanDerWaalsContact O-N 3.11Å; H760-Q763 PolarHBondContact O-N 3.46Å; H760-T764 PolarHBondContact O-N 3.44Å; H760-T764 PolarHBondContact O-OG1 3.23Å
761H32.1Very low35Very low132 Ų132117.3 Ų117.361%0.61159%0.592SS**Hα-helixtrans-78.8-20.8177.1-94.52.3000114.5V758 Q763 V765V758-H761 PolarHBondContact O-N 3.01Å; H761-Q763 VanDerWaalsContact C-N 3.32Å; H761-V765 PolarHBondContact O-N 3.29Å
762H34.1Very low33.8Very low160 Ų160119 Ų11974%0.74161%0.614SS**Hα-helixtrans-73.9-20.4169.3-90.9-65.9000113.8A766H762-A766 WeakPolarHBondContact O-CB 3.46Å
763Q30.4Very low32.5Very low102 Ų102119.5 Ų119.548%0.47762%0.624SS.*Hα-helixtrans-93.5-30.3175.9-100.5179-200113.7H760 H761 R767H760-Q763 PolarHBondContact O-N 3.46Å; H761-Q763 VanDerWaalsContact C-N 3.32Å; Q763-R767 WeakPolarHBondContact O-CG 3.48Å; Q763-R767 PolarHBondContact O-N 3.49Å; Q763-R767 VanDerWaalsContact O-N 3.13Å
764T31Very low31.6Very low61 Ų61118.6 Ų118.637%0.37464%0.635SS.*Hα-helixtrans-75.2-38.6179.7-39.10000111.6H760 R767 F768H760-T764 PolarHBondContact O-N 3.44Å; H760-T764 PolarHBondContact O-OG1 3.23Å; T764-R767 PolarHBondContact O-N 3.03Å; T764-F768 HydrophobicContact CG2-CD2 4.35Å; T764-F768 HydrophobicContact CG2-CE2 4.01Å; T764-F768 WeakPolarHBondContact O-CD2 3.38Å; T764-F768 PolarHBondContact O-N 2.86Å
765V30.3Very low31Very low100 Ų100119 Ų11961%0.60664%0.639SS**Hα-helixtrans-74.4-28.9176.5-178.10000112.1H761 T769H761-V765 PolarHBondContact O-N 3.29Å; V765-T769 PolarHBondContact O-OG1 2.71Å
766A29.4Very low30.5Very low50 Ų50117.7 Ų117.741%0.41364%0.638SS.*Hα-helixtrans-69.8-34.4172.100000112.4H762 T769H762-A766 WeakPolarHBondContact O-CB 3.46Å; A766-T769 PolarHBondContact O-N 3.35Å; A766-T769 PolarHBondContact O-OG1 3.15Å
767R28.5Very low30.1Very low185 Ų185125.7 Ų125.770%0.69866%0.659SS**Hα-helixtrans-75.8-20.6177.2-78.5-178.5178.2152.30.5114.7Q763 T764 T769Q763-R767 WeakPolarHBondContact O-CG 3.48Å; Q763-R767 PolarHBondContact O-N 3.49Å; Q763-R767 VanDerWaalsContact O-N 3.13Å; T764-R767 PolarHBondContact O-N 3.03Å; R767-T769 PolarHBondContact O-N 3.03Å
768F32.4Very low29.8Very low178 Ų178130.9 Ų130.978%0.78168%0.676SS**THydrogen-bonded Turntrans-77.7-6.5173-84.6-70.4000114T764T764-F768 HydrophobicContact CG2-CD2 4.35Å; T764-F768 HydrophobicContact CG2-CE2 4.01Å; T764-F768 WeakPolarHBondContact O-CD2 3.38Å; T764-F768 PolarHBondContact O-N 2.86Å
769T29.4Very low29.4Very low106 Ų106133.7 Ų133.765%0.6569%0.688SS**THydrogen-bonded Turntrans-114.22.6-176.849.10000115V765 A766 R767V765-T769 PolarHBondContact O-OG1 2.71Å; A766-T769 PolarHBondContact O-N 3.35Å; A766-T769 PolarHBondContact O-OG1 3.15Å; R767-T769 PolarHBondContact O-N 3.03Å
770E28.3Very low29.5Very low165 Ų165135.8 Ų135.877%0.77170%0.697SS**THydrogen-bonded Turntrans-119.2-11.3-177.7-94-177.5167.900117.6
771N26.6Very low29.2Very low152 Ų152134.8 Ų134.881%0.81370%0.702SS**  trans-13486.4177.6-72.8-26.4000112.1
772A26.8Very low29.2Very low98 Ų98136.4 Ų136.481%0.8171%0.71SS**  trans-96.774.1153.200000107.3
773D26.3Very low28.9Very low144 Ų144138.3 Ų138.377%0.7772%0.716SS**  trans-165.5126.6159.7-97.7-26000110.9
774V30.3Very low28.7Very low130 Ų130139.5 Ų139.579%0.78873%0.725SS**  trans79.4127.3156.4-173.40000118.7
775S26.5Very low28.8Very low90 Ų90141.9 Ų141.963%0.62975%0.745SS**  trans-7.6125.6165.7580000118
776D27.7Very low28.7Very low141 Ų141146.5 Ų146.575%0.75476%0.757SS**  -161.3132.4104.9-89.5-32.8000112E778D776-E778 PolarHBondContact O-N 3.36Å
777R27.8Very low28.8Very low254 Ų254155.3 Ų155.396%0.95878%0.779SS**  trans-75.193.4162.2-76.9175.6171.1164.7-3.2106.1
778E27Very low29Very low170 Ų170150.8 Ų150.879%0.79478%0.776SS**  trans-115.8131.2162.5-81.3-166.7156.300110.3D776 I780D776-E778 PolarHBondContact O-N 3.36Å; E778-I780 PolarHBondContact O-N 3.47Å
779D28.6Very low29.1Very low154 Ų154150.7 Ų150.782%0.82478%0.778SS**  trans-41.4121.5179.7-66.5-55000112.2S781D779-S781 PolarHBondContact O-N 2.98Å
780I33.9Very low29.7Very low174 Ų174150.9 Ų150.989%0.89278%0.781SS**  trans-68.568.8151.2-57171.2000105.5E778 H782E778-I780 PolarHBondContact O-N 3.47Å; I780-H782 PolarHBondContact O-N 2.84Å
781S26Very low30.5Very low85 Ų85149.2 Ų149.259%0.59478%0.775SS**  trans-62.2128.1163.175.50000105.6D779 K783D779-S781 PolarHBondContact O-N 2.98Å; S781-K783 PolarHBondContact O-N 2.93Å
782H32.2Very low31.8Very low165 Ų165150.2 Ų150.276%0.76477%0.774SS**  trans-37.792.3160.3-73-94.5000110I780 N784I780-H782 PolarHBondContact O-N 2.84Å; H782-N784 PolarHBondContact O-N 2.86Å
783K27.9Very low33.5Very low200 Ų200147.1 Ų147.187%0.8774%0.742SS**  trans-68.178.4146.1-84.1-177.6179.4172.20104.5S781 S785S781-K783 PolarHBondContact O-N 2.93Å; K783-S785 PolarHBondContact O-N 3.18Å
784N26.9Very low35.7Very low127 Ų127145.5 Ų145.568%0.67973%0.733SS**  trans-38.7112.6152.6-85-23.3000105.1H782 K786H782-N784 PolarHBondContact O-N 2.86Å; N784-K786 PolarHBondContact O-N 3.08Å
785S31.4Very low37.9Very low112 Ų112143.1 Ų143.178%0.78371%0.713SS**  trans-39.4100150.2169.90000105.1K783 R787K783-S785 PolarHBondContact O-N 3.18Å; S785-R787 PolarHBondContact O-N 2.83Å
786K28.5Very low40.6Very low197 Ų197144 Ų14486%0.85771%0.714SS**  trans-62.195.8164.3-84.8-174.6175.8-177.40102N784 S788N784-K786 PolarHBondContact O-N 3.08Å; K786-S788 PolarHBondContact O-N 3.27Å
787R31.5Very low43Very low235 Ų235141.8 Ų141.889%0.88770%0.699SS**  trans-4199.9161.9-152.8177.4-167.5175.13.5103.9S785 E789S785-R787 PolarHBondContact O-N 2.83Å; R787-E789 PolarHBondContact O-N 2.93Å; R787-E789 VanDerWaalsContact O-N 3.08Å
788S32.9Very low45.4Very low90 Ų90130.5 Ų130.563%0.62966%0.657SS**  trans-56.5121.6-176.942.80000105.6K786K786-S788 PolarHBondContact O-N 3.27Å
789E33.8Very low48.1Very low175 Ų175125 Ų12582%0.81863%0.633SS**  trans-48.1136.6170.4-70.5-176156.500108R787 M791R787-E789 PolarHBondContact O-N 2.93Å; R787-E789 VanDerWaalsContact O-N 3.08Å; E789-M791 PolarHBondContact O-N 3.28Å
790P43.3Very low50.7Low110 Ų110124.8 Ų124.871%0.71462%0.624SS**  trans-59.5106.8-175.924-32.2000107.8Q792P790-Q792 PolarHBondContact O-N 2.79Å
791M45.3Very low52.9Low130 Ų130118.9 Ų118.964%0.6459%0.594SS**  trans-67.8109.2-179.3-170.915184.400106.4E789 R793E789-M791 PolarHBondContact O-N 3.28Å; M791-R793 WeakPolarHBondContact O-CG 3.45Å; M791-R793 PolarHBondContact O-N 3.46Å
792Q53.9Low55.7Low173 Ų173114.9 Ų114.981%0.80857%0.566SS**  trans-54.7102.4174.7-89.2-176.2-25.300108.6P790P790-Q792 PolarHBondContact O-N 2.79Å
793R61.6Low58.3Low33 Ų33111.2 Ų111.213%0.12555%0.546CS..  trans-72.4138.9-177.1-63.6-176.7-177.3167.92.3109.8E750 D751 M791 K798 M801E750-R793 PolarHBondContact O-NH2 3.29Å; E750-R793 VanDerWaalsContact O-NH2 3.12Å; D751-R793 IonicContact OD1-CZ 3.14Å; D751-R793 IonicContact OD1-NE 3.14Å; D751-R793 PolarHBondContact OD1-NE 3.3Å; D751-R793 IonicContact OD1-NH2 2.78Å; D751-R793 PolarHBondContact OD1-NH2 3.39Å; M791-R793 WeakPolarHBondContact O-CG 3.45Å; M791-R793 PolarHBondContact O-N 3.46Å; R793-K798 HydrophobicContact CB-CG 4.21Å; R793-K798 VanDerWaalsContact O-CE 3.3Å; R793-K798 WeakPolarHBondContact O-CE 3.39Å; R793-M801 PolarHBondContact NH1-SD 2.87Å
794N72.8Confident61.1Low111 Ų111104.3 Ų104.359%0.59452%0.521SS*.  trans-59.2140.9176.2-71.4-23.1000110.3T796 E797 K798N794-T796 PolarHBondContact O-N 2.98Å; N794-T796 VanDerWaalsContact O-N 3.12Å; N794-E797 HydrophobicContact CB-CG 4.41Å; N794-E797 WeakPolarHBondContact O-CB 3.02Å; N794-E797 PolarHBondContact O-N 3.07Å; N794-K798 PolarHBondContact O-N 3.31Å; N794-K798 VanDerWaalsContact O-N 3.14Å
795F77Confident63.9Low80 Ų8098.3 Ų98.335%0.35149%0.489SS..Hα-helixtrans-54-36.1-177.7-177.6-108.9000112.9L741 Y742 E797 K798 I799L741-F795 HydrophobicContact CB-CE2 3.86Å; Y742-F795 HydrophobicContact CD2-CD2 4.1Å; Y742-F795 HydrophobicContact CD2-CE2 4.38Å; F795-E797 VanDerWaalsContact C-N 3.33Å; F795-E797 PolarHBondContact O-N 3.04Å; F795-K798 WeakPolarHBondContact O-CB 3.3Å; F795-K798 PolarHBondContact O-N 2.97Å; F795-I799 HydrophobicContact CD1-CD1 3.76Å; F795-I799 HydrophobicContact CD1-CG1 4.44Å; F795-I799 HydrophobicContact CE1-CD1 3.27Å; F795-I799 HydrophobicContact CE1-CG1 4.12Å; F795-I799 HydrophobicContact CZ-CD1 3.72Å; F795-I799 HydrophobicContact CZ-CG1 4.19Å; F795-I799 PolarHBondContact O-N 3.46Å
796T81.8Confident66.7Low109 Ų10995.3 Ų95.367%0.66947%0.466SS*.Hα-helixtrans-63.5-36.2176.5-19.60000112.9N794 K800N794-T796 PolarHBondContact O-N 2.98Å; N794-T796 VanDerWaalsContact O-N 3.12Å; T796-K800 WeakPolarHBondContact O-CB 3.47Å; T796-K800 PolarHBondContact O-N 3.36Å
797E78.9Confident69.4Low94 Ų9487.1 Ų87.144%0.43943%0.431SS..Hα-helixtrans-72.8-37.4175.6-66.6-176.6156.700111.4N794 F795 K800 M801N794-E797 HydrophobicContact CB-CG 4.41Å; N794-E797 WeakPolarHBondContact O-CB 3.02Å; N794-E797 PolarHBondContact O-N 3.07Å; F795-E797 VanDerWaalsContact C-N 3.33Å; F795-E797 PolarHBondContact O-N 3.04Å; E797-K800 PolarHBondContact O-N 3.45Å; E797-M801 HydrophobicContact CB-CE 4.39Å; E797-M801 WeakPolarHBondContact O-CB 3.33Å; E797-M801 WeakPolarHBondContact O-CG 3.32Å; E797-M801 PolarHBondContact O-N 2.75Å
798K78Confident72.1Confident16 Ų1676 Ų767%0.0739%0.389CS..Hα-helixtrans-60.4-46.2173.2-66.8-179.5-179.7174.40111D744 W749 R793 N794 F795 M801 F802D744-K798 WeakPolarHBondContact OD1-CE 3.45Å; D744-K798 IonicContact OD1-NZ 3.91Å; D744-K798 PolarHBondContact OD1-NZ 2.77Å; D744-K798 IonicContact OD2-NZ 3.14Å; D744-K798 PolarHBondContact OD2-NZ 2.77Å; W749-K798 HydrophobicContact CH2-CB 4.1Å; W749-K798 HydrophobicContact CZ2-CB 3.89Å; W749-K798 HydrophobicContact CZ2-CD 4.36Å; W749-K798 HydrophobicContact CZ2-CG 4.07Å; R793-K798 HydrophobicContact CB-CG 4.21Å; R793-K798 VanDerWaalsContact O-CE 3.3Å; R793-K798 WeakPolarHBondContact O-CE 3.39Å; N794-K798 PolarHBondContact O-N 3.31Å; N794-K798 VanDerWaalsContact O-N 3.14Å; F795-K798 WeakPolarHBondContact O-CB 3.3Å; F795-K798 PolarHBondContact O-N 2.97Å; K798-M801 PolarHBondContact O-N 3.46Å; K798-F802 VanDerWaalsContact O-CB 3.25Å; K798-F802 WeakPolarHBondContact O-CB 3.39Å; K798-F802 PolarHBondContact O-N 2.89Å
799I83.3Confident74.8Confident54 Ų5477.2 Ų77.228%0.27738%0.383SS..Hα-helixtrans-58.7-48.9173.9-74.4177.8000110.7L741 F795 M801 F802 Y803L741-I799 HydrophobicContact CD1-CG1 3.94Å; F795-I799 HydrophobicContact CD1-CD1 3.76Å; F795-I799 HydrophobicContact CD1-CG1 4.44Å; F795-I799 HydrophobicContact CE1-CD1 3.27Å; F795-I799 HydrophobicContact CE1-CG1 4.12Å; F795-I799 HydrophobicContact CZ-CD1 3.72Å; F795-I799 HydrophobicContact CZ-CG1 4.19Å; F795-I799 PolarHBondContact O-N 3.46Å; I799-M801 PolarHBondContact O-N 3.41Å; I799-F802 PolarHBondContact O-N 2.69Å; I799-Y803 HydrophobicContact CG2-CD2 3.78Å; I799-Y803 HydrophobicContact CG2-CE2 3.99Å; I799-Y803 WeakPolarHBondContact O-CD2 3.46Å; I799-Y803 PolarHBondContact O-N 3.07Å
800K84.7Confident77.5Confident150 Ų15071 Ų7165%0.65235%0.353SS*.Hα-helixtrans-59.4-50.7-179.4-174178.9179-178.80111T796 E797 F802 Y803 T804T796-K800 WeakPolarHBondContact O-CB 3.47Å; T796-K800 PolarHBondContact O-N 3.36Å; E797-K800 PolarHBondContact O-N 3.45Å; K800-F802 VanDerWaalsContact C-N 3.34Å; K800-F802 PolarHBondContact O-N 3.21Å; K800-Y803 PolarHBondContact O-N 3.12Å; K800-T804 HydrophobicContact CG-CG2 4.38Å; K800-T804 WeakPolarHBondContact O-CB 3.45Å; K800-T804 VanDerWaalsContact O-CG2 3.29Å; K800-T804 WeakPolarHBondContact O-CG2 3.29Å; K800-T804 PolarHBondContact O-N 3.41Å; K800-T804 PolarHBondContact O-OG1 3.49Å
801M79.3Confident79.7Confident51 Ų5165.9 Ų65.925%0.25132%0.32SS..Hα-helixtrans-59.2-46.1178.4-75.9-167.1-12900111.7W749 R793 E797 K798 I799 T804 A805W749-M801 HydrophobicContact CZ3-CB 4.03Å; R793-M801 PolarHBondContact NH1-SD 2.87Å; E797-M801 HydrophobicContact CB-CE 4.39Å; E797-M801 WeakPolarHBondContact O-CB 3.33Å; E797-M801 WeakPolarHBondContact O-CG 3.32Å; E797-M801 PolarHBondContact O-N 2.75Å; K798-M801 PolarHBondContact O-N 3.46Å; I799-M801 PolarHBondContact O-N 3.41Å; M801-T804 VanDerWaalsContact CA-OG1 3.29Å; M801-T804 WeakPolarHBondContact CA-OG1 3.41Å; M801-T804 PolarHBondContact O-N 2.93Å; M801-T804 PolarHBondContact O-OG1 3.22Å; M801-A805 PolarHBondContact O-N 3.46Å; M801-A805 VanDerWaalsContact O-N 3.07Å
802F85.5Confident81.8Confident0 Ų063.5 Ų63.50%031%0.31CS..Hα-helixtrans-54.9-57177.1-176.5-92.8000110.9M724 T731 I734 L735 L741 W749 K798 I799 K800 T804 A805 T808M724-F802 HydrophobicContact CE-CD2 3.34Å; M724-F802 HydrophobicContact CE-CE2 3.27Å; M724-F802 HydrophobicContact SD-CD2 3.43Å; M724-F802 WeakPolarHBondContact SD-CD2 3.44Å; M724-F802 HydrophobicContact SD-CE2 3.99Å; M724-F802 HydrophobicContact SD-CG 4.36Å; T731-F802 HydrophobicContact CG2-CE2 4.14Å; T731-F802 HydrophobicContact CG2-CZ 4.11Å; I734-F802 HydrophobicContact CB-CE2 4.08Å; I734-F802 HydrophobicContact CB-CZ 3.98Å; I734-F802 HydrophobicContact CG2-CD2 4.28Å; I734-F802 HydrophobicContact CG2-CE1 4.21Å; I734-F802 HydrophobicContact CG2-CE2 3.54Å; I734-F802 HydrophobicContact CG2-CZ 3.52Å; L735-F802 HydrophobicContact CD2-CE1 4.39Å; L735-F802 HydrophobicContact CG-CE1 4.01Å; L735-F802 HydrophobicContact CG-CZ 4.13Å; L741-F802 HydrophobicContact CD1-CB 4.23Å; L741-F802 HydrophobicContact CD1-CD1 4.31Å; L741-F802 HydrophobicContact CD1-CG 4.13Å; L741-F802 HydrophobicContact CD2-CB 4.22Å; L741-F802 HydrophobicContact CD2-CD2 3.64Å; L741-F802 HydrophobicContact CD2-CE2 4.18Å; L741-F802 HydrophobicContact CD2-CG 3.99Å; W749-F802 HydrophobicContact CH2-CB 4.32Å; K798-F802 VanDerWaalsContact O-CB 3.25Å; K798-F802 WeakPolarHBondContact O-CB 3.39Å; K798-F802 PolarHBondContact O-N 2.89Å; I799-F802 PolarHBondContact O-N 2.69Å; K800-F802 VanDerWaalsContact C-N 3.34Å; K800-F802 PolarHBondContact O-N 3.21Å; F802-T804 VanDerWaalsContact C-N 3.3Å; F802-T804 PolarHBondContact O-N 3.27Å; F802-A805 WeakPolarHBondContact O-CB 3.29Å; F802-A805 PolarHBondContact O-N 2.99Å; F802-T808 HydrophobicContact CD1-CG2 3.96Å; F802-T808 HydrophobicContact CD2-CG2 3.77Å; F802-T808 HydrophobicContact CE1-CG2 3.8Å; F802-T808 HydrophobicContact CE2-CG2 3.61Å; F802-T808 HydrophobicContact CG-CG2 3.94Å; F802-T808 HydrophobicContact CZ-CG2 3.61Å; F802-T808 VanDerWaalsContact O-CB 3.28Å; F802-T808 WeakPolarHBondContact O-CB 3.25Å; F802-T808 WeakPolarHBondContact O-CG2 3.27Å; F802-T808 PolarHBondContact O-OG1 2.86Å
803Y86.8Confident83.5Confident88 Ų8859.7 Ų59.735%0.34529%0.289SS..Hα-helixtrans-72.5-19.4-177.8-74.7-74.4000114.3L735 I799 K800 K809L735-Y803 HydrophobicContact CD2-CE1 4.05Å; I799-Y803 HydrophobicContact CG2-CD2 3.78Å; I799-Y803 HydrophobicContact CG2-CE2 3.99Å; I799-Y803 WeakPolarHBondContact O-CD2 3.46Å; I799-Y803 PolarHBondContact O-N 3.07Å; K800-Y803 PolarHBondContact O-N 3.12Å; Y803-K809 VanDerWaalsContact O-CE 3.26Å; Y803-K809 WeakPolarHBondContact O-CE 3.48Å
804T86.3Confident84.8Confident56 Ų5659.8 Ų59.834%0.34429%0.293SS..Hα-helixtrans-77.8-25.1173.250.40000113.6K800 M801 F802 K809K800-T804 HydrophobicContact CG-CG2 4.38Å; K800-T804 WeakPolarHBondContact O-CB 3.45Å; K800-T804 VanDerWaalsContact O-CG2 3.29Å; K800-T804 WeakPolarHBondContact O-CG2 3.29Å; K800-T804 PolarHBondContact O-N 3.41Å; K800-T804 PolarHBondContact O-OG1 3.49Å; M801-T804 VanDerWaalsContact CA-OG1 3.29Å; M801-T804 WeakPolarHBondContact CA-OG1 3.41Å; M801-T804 PolarHBondContact O-N 2.93Å; M801-T804 PolarHBondContact O-OG1 3.22Å; F802-T804 VanDerWaalsContact C-N 3.3Å; F802-T804 PolarHBondContact O-N 3.27Å; T804-K809 WeakPolarHBondContact O-CE 3.31Å; T804-K809 PolarHBondContact O-NZ 3.32Å
805A85.6Confident85.6Confident1 Ų158.4 Ų58.41%0.00828%0.284CS..SBendtrans-59.8136.7-175.900000112H722 M801 F802 K807 T808 K809H722-A805 HydrophobicContact CB-CB 3.91Å; M801-A805 PolarHBondContact O-N 3.46Å; M801-A805 VanDerWaalsContact O-N 3.07Å; F802-A805 WeakPolarHBondContact O-CB 3.29Å; F802-A805 PolarHBondContact O-N 2.99Å; A805-K807 VanDerWaalsContact C-N 3.27Å; A805-K807 PolarHBondContact O-N 3.34Å; A805-T808 HydrophobicContact CB-CG2 4.22Å; A805-T808 PolarHBondContact O-N 2.82Å; A805-T808 PolarHBondContact O-OG1 3.38Å; A805-K809 WeakPolarHBondContact O-CG 3.26Å; A805-K809 PolarHBondContact O-N 3.35Å
806P89Confident86.3Confident49 Ų4958 Ų5832%0.31829%0.287SS..Hα-helixtrans-58.2-40.3176.8-26.335.4000112.9W720 T808 K809 F810W720-P806 HydrophobicContact CE3-CB 3.76Å; W720-P806 HydrophobicContact CZ3-CB 4.02Å; W720-P806 WeakPolarHBondContact O-CD 3.5Å; P806-T808 PolarHBondContact O-N 3.2Å; P806-K809 PolarHBondContact O-N 3.42Å; P806-F810 WeakPolarHBondContact O-CB 3.36Å; P806-F810 PolarHBondContact O-N 2.85Å
807K86.7Confident86.7Confident24 Ų2452.9 Ų52.910%0.10426%0.256CS..Hα-helixtrans-59.2-44.1179.2-176172.5-176.31630113.9W720 A726 A805 F810 C811W720-K807 HydrophobicContact CD2-CB 4.18Å; W720-K807 HydrophobicContact CG-CB 4.5Å; W720-K807 HydrophobicContact CZ2-CB 4.07Å; W720-K807 HydrophobicContact CZ2-CG 4.17Å; W720-K807 WeakPolarHBondContact O-CB 3.35Å; W720-K807 PolarHBondContact O-N 3.04Å; A726-K807 WeakPolarHBondContact O-CE 3.44Å; A726-K807 PolarHBondContact O-NZ 2.71Å; A805-K807 VanDerWaalsContact C-N 3.27Å; A805-K807 PolarHBondContact O-N 3.34Å; K807-F810 PolarHBondContact O-N 3.41Å; K807-C811 WeakPolarHBondContact O-CB 3.44Å; K807-C811 PolarHBondContact O-N 3.45Å
808T88.3Confident87.4Confident3 Ų351.5 Ų51.52%0.01825%0.254CS..Hα-helixtrans-70.7-40.5178.4570000110.9M724 T731 F802 A805 P806 F810 C811 L812M724-T808 HydrophobicContact CE-CG2 4.39Å; M724-T808 HydrophobicContact SD-CG2 4.26Å; T731-T808 HydrophobicContact CG2-CG2 3.6Å; F802-T808 HydrophobicContact CD1-CG2 3.96Å; F802-T808 HydrophobicContact CD2-CG2 3.77Å; F802-T808 HydrophobicContact CE1-CG2 3.8Å; F802-T808 HydrophobicContact CE2-CG2 3.61Å; F802-T808 HydrophobicContact CG-CG2 3.94Å; F802-T808 HydrophobicContact CZ-CG2 3.61Å; F802-T808 VanDerWaalsContact O-CB 3.28Å; F802-T808 WeakPolarHBondContact O-CB 3.25Å; F802-T808 WeakPolarHBondContact O-CG2 3.27Å; F802-T808 PolarHBondContact O-OG1 2.86Å; A805-T808 HydrophobicContact CB-CG2 4.22Å; A805-T808 PolarHBondContact O-N 2.82Å; A805-T808 PolarHBondContact O-OG1 3.38Å; P806-T808 PolarHBondContact O-N 3.2Å; T808-F810 VanDerWaalsContact C-N 3.32Å; T808-F810 PolarHBondContact O-N 3.26Å; T808-C811 PolarHBondContact O-N 2.89Å; T808-L812 WeakPolarHBondContact O-CB 3.33Å; T808-L812 PolarHBondContact O-N 3.39Å
809K89.8Confident88.1Confident115 Ų11556 Ų5650%0.528%0.278SS..Hα-helixtrans-59.2-42.9174.1-71.7173.9178163.30111.9Y803 T804 A805 P806 L812 Y813Y803-K809 VanDerWaalsContact O-CE 3.26Å; Y803-K809 WeakPolarHBondContact O-CE 3.48Å; T804-K809 WeakPolarHBondContact O-CE 3.31Å; T804-K809 PolarHBondContact O-NZ 3.32Å; A805-K809 WeakPolarHBondContact O-CG 3.26Å; A805-K809 PolarHBondContact O-N 3.35Å; P806-K809 PolarHBondContact O-N 3.42Å; K809-L812 PolarHBondContact O-N 2.86Å; K809-Y813 VanDerWaalsContact O-CB 3.31Å; K809-Y813 WeakPolarHBondContact O-CB 3.35Å; K809-Y813 PolarHBondContact O-N 3.43Å
810F89.5Confident88.6Confident43 Ų4354.1 Ų54.119%0.18927%0.267CS..Hα-helixtrans-64.5-43.6175.6176.2-95.8000112.2W720 M728 P806 K807 T808 Y813 T814 L925 Y928W720-F810 HydrophobicContact CH2-CB 3.49Å; W720-F810 VanDerWaalsContact CH2-CB 3.49Å; W720-F810 HydrophobicContact CH2-CD1 4.09Å; W720-F810 HydrophobicContact CH2-CD2 4.28Å; W720-F810 AromaticContact CH2-CG 3.7Å; W720-F810 HydrophobicContact CH2-CG 3.7Å; W720-F810 HydrophobicContact CZ2-CB 4.2Å; W720-F810 HydrophobicContact CZ2-CD1 4.25Å; W720-F810 HydrophobicContact CZ2-CG 4.31Å; W720-F810 HydrophobicContact CZ3-CB 4.33Å; M728-F810 HydrophobicContact CE-CD1 3.67Å; M728-F810 HydrophobicContact CE-CE1 3.81Å; P806-F810 WeakPolarHBondContact O-CB 3.36Å; P806-F810 PolarHBondContact O-N 2.85Å; K807-F810 PolarHBondContact O-N 3.41Å; T808-F810 VanDerWaalsContact C-N 3.32Å; T808-F810 PolarHBondContact O-N 3.26Å; F810-Y813 PolarHBondContact O-N 2.91Å; F810-T814 WeakPolarHBondContact O-CB 3.45Å; F810-T814 PolarHBondContact O-N 3.35Å; F810-T814 PolarHBondContact O-OG1 3.3Å; F810-L925 HydrophobicContact CE2-CD2 3.95Å; F810-L925 HydrophobicContact CZ-CB 4.46Å; F810-L925 HydrophobicContact CZ-CD2 4.21Å; F810-Y928 AromaticContact CE1-CD1 3.7Å; F810-Y928 HydrophobicContact CE1-CD1 3.7Å; F810-Y928 HydrophobicContact CE1-CE1 4.31Å; F810-Y928 AromaticContact CE1-CG 3.87Å; F810-Y928 HydrophobicContact CE1-CG 3.87Å; F810-Y928 AromaticContact CZ-CD1 3.97Å; F810-Y928 HydrophobicContact CZ-CD1 3.97Å; F810-Y928 HydrophobicContact CZ-CG 4.04Å
811C88.6Confident89Confident4 Ų447.1 Ų47.13%0.02724%0.237CC..Hα-helixtrans-62.6-44.4177.1-176.30000111.7M728 S732 L735 K807 T808 T814 M815M728-C811 HydrophobicContact SD-CB 4.05Å; S732-C811 PolarHBondContact OG-SG 3.4Å; L735-C811 HydrophobicContact CD1-CB 3.68Å; L735-C811 VanDerWaalsContact CD1-SG 3.54Å; K807-C811 WeakPolarHBondContact O-CB 3.44Å; K807-C811 PolarHBondContact O-N 3.45Å; T808-C811 PolarHBondContact O-N 2.89Å; C811-T814 PolarHBondContact O-N 3.36Å; C811-M815 WeakPolarHBondContact O-CG 3.47Å; C811-M815 PolarHBondContact O-N 2.91Å
812L90.4Very high89.7Confident79 Ų7950 Ų5041%0.41425%0.253SS..Hα-helixtrans-60.4-48.5174.2178.567.5000111.3L735 T808 K809 T814 M815 V816L735-L812 HydrophobicContact CD1-CB 4.29Å; L735-L812 HydrophobicContact CD2-CB 4.04Å; L735-L812 HydrophobicContact CD2-CD1 3.93Å; L735-L812 HydrophobicContact CD2-CG 4.46Å; T808-L812 WeakPolarHBondContact O-CB 3.33Å; T808-L812 PolarHBondContact O-N 3.39Å; K809-L812 PolarHBondContact O-N 2.86Å; L812-T814 VanDerWaalsContact C-N 3.3Å; L812-T814 PolarHBondContact O-N 2.83Å; L812-M815 PolarHBondContact O-N 3.38Å; L812-V816 HydrophobicContact CD1-CG2 4.11Å; L812-V816 HydrophobicContact CG-CG2 4.43Å; L812-V816 WeakPolarHBondContact O-CB 3.45Å; L812-V816 VanDerWaalsContact O-CG2 3.32Å; L812-V816 WeakPolarHBondContact O-CG2 3.3Å; L812-V816 PolarHBondContact O-N 3.01Å
813Y89.9Confident90.1Very high94 Ų9453 Ų5337%0.36927%0.266SS..Hα-helixtrans-56.8-45.2176.4177.4-98.8000111.4K809 F810 V816 Y817 R921 L925K809-Y813 VanDerWaalsContact O-CB 3.31Å; K809-Y813 WeakPolarHBondContact O-CB 3.35Å; K809-Y813 PolarHBondContact O-N 3.43Å; F810-Y813 PolarHBondContact O-N 2.91Å; Y813-V816 PolarHBondContact O-N 2.87Å; Y813-Y817 WeakPolarHBondContact O-CB 3.44Å; Y813-Y817 PolarHBondContact O-N 2.85Å; Y813-R921 PolarHBondContact OH-NH2 2.99Å; Y813-L925 HydrophobicContact CD1-CD2 4.08Å; Y813-L925 HydrophobicContact CE1-CD2 3.93Å
814T88.8Confident90.5Very high34 Ų3448.8 Ų48.821%0.20925%0.25CC..Hα-helixtrans-61.1-47.5178.3-59.50000111.6F810 C811 L812 Y817 V818 L925F810-T814 WeakPolarHBondContact O-CB 3.45Å; F810-T814 PolarHBondContact O-N 3.35Å; F810-T814 PolarHBondContact O-OG1 3.3Å; C811-T814 PolarHBondContact O-N 3.36Å; L812-T814 VanDerWaalsContact C-N 3.3Å; L812-T814 PolarHBondContact O-N 2.83Å; T814-Y817 PolarHBondContact O-N 3.5Å; T814-V818 WeakPolarHBondContact O-CG2 3.3Å; T814-V818 PolarHBondContact O-N 2.96Å; T814-L925 HydrophobicContact CG2-CD1 4.16Å
815M88.8Confident90.8Very high82 Ų8247.1 Ų47.140%0.40424%0.24SC..Hα-helixtrans-63.5-48179.4-72.1-67.9175.600111.9C811 L812 Y817 V818 I819C811-M815 WeakPolarHBondContact O-CG 3.47Å; C811-M815 PolarHBondContact O-N 2.91Å; L812-M815 PolarHBondContact O-N 3.38Å; M815-Y817 VanDerWaalsContact C-N 3.3Å; M815-Y817 PolarHBondContact O-N 3.49Å; M815-V818 PolarHBondContact O-N 3.2Å; M815-I819 VanDerWaalsContact O-CG1 3.29Å; M815-I819 WeakPolarHBondContact O-CG1 3.4Å; M815-I819 PolarHBondContact O-N 3.32Å
816V91.2Very high91.2Very high71 Ų7152.4 Ų52.443%0.4326%0.261SS..Hα-helixtrans-62.1-40.1178.1172.40000110.9L812 Y813 I819 F820L812-V816 HydrophobicContact CD1-CG2 4.11Å; L812-V816 HydrophobicContact CG-CG2 4.43Å; L812-V816 WeakPolarHBondContact O-CB 3.45Å; L812-V816 VanDerWaalsContact O-CG2 3.32Å; L812-V816 WeakPolarHBondContact O-CG2 3.3Å; L812-V816 PolarHBondContact O-N 3.01Å; Y813-V816 PolarHBondContact O-N 2.87Å; V816-I819 PolarHBondContact O-N 3.47Å; V816-F820 WeakPolarHBondContact O-CB 3.29Å; V816-F820 PolarHBondContact O-N 3.2Å
817Y91.9Very high91.4Very high3 Ų350.1 Ų50.11%0.01225%0.246CC..Hα-helixtrans-65.9-41.8178.9-169.6-105.9000112.5Y813 T814 M815 F820 L821 C918 I922 L925Y813-Y817 WeakPolarHBondContact O-CB 3.44Å; Y813-Y817 PolarHBondContact O-N 2.85Å; T814-Y817 PolarHBondContact O-N 3.5Å; M815-Y817 VanDerWaalsContact C-N 3.3Å; M815-Y817 PolarHBondContact O-N 3.49Å; Y817-F820 HydrophobicContact CD2-CD1 4.33Å; Y817-F820 HydrophobicContact CE2-CD1 4.26Å; Y817-F820 WeakPolarHBondContact O-CB 3.39Å; Y817-F820 PolarHBondContact O-N 3.09Å; Y817-L821 HydrophobicContact CD1-CD1 4.02Å; Y817-L821 HydrophobicContact CD1-CG 4.4Å; Y817-L821 HydrophobicContact CE1-CD1 3.66Å; Y817-L821 HydrophobicContact CE1-CD2 4.46Å; Y817-L821 HydrophobicContact CE1-CG 4.1Å; Y817-L821 WeakPolarHBondContact O-CG 3.45Å; Y817-L821 PolarHBondContact O-N 3.03Å; Y817-C918 PolarHBondContact OH-O 3.28Å; Y817-I922 HydrophobicContact CE1-CG1 4.09Å; Y817-L925 HydrophobicContact CD1-CD1 4.23Å
818V91.8Very high91.5Very high65 Ų6549.6 Ų49.639%0.39424%0.244SC..Hα-helixtrans-64.9-43.2175.4172.10000111.1T814 M815 F820 L821 L822T814-V818 WeakPolarHBondContact O-CG2 3.3Å; T814-V818 PolarHBondContact O-N 2.96Å; M815-V818 PolarHBondContact O-N 3.2Å; V818-F820 VanDerWaalsContact C-N 3.31Å; V818-F820 PolarHBondContact O-N 3.42Å; V818-L821 PolarHBondContact O-N 3.25Å; V818-L822 HydrophobicContact CG1-CD1 4.35Å; V818-L822 WeakPolarHBondContact O-CG 3.31Å; V818-L822 PolarHBondContact O-N 3.35Å
819I93Very high91.5Very high111 Ų11155.4 Ų55.457%0.56927%0.274SS*.Hα-helixtrans-61.2-43175-67.6166000110.3M815 V816 L821 L822 F823M815-I819 VanDerWaalsContact O-CG1 3.29Å; M815-I819 WeakPolarHBondContact O-CG1 3.4Å; M815-I819 PolarHBondContact O-N 3.32Å; V816-I819 PolarHBondContact O-N 3.47Å; I819-L821 PolarHBondContact O-N 2.63Å; I819-L822 PolarHBondContact O-N 3.05Å; I819-F823 VanDerWaalsContact O-CB 3.31Å; I819-F823 WeakPolarHBondContact O-CB 3.39Å; I819-F823 PolarHBondContact O-N 3.34Å
820F94.1Very high91.5Very high13 Ų1357 Ų576%0.05728%0.281CS..Hα-helixtrans-58.6-45.6175.1163.6-103.5000111.8V816 Y817 V818 L822 F823 F824 Y847 F848V816-F820 WeakPolarHBondContact O-CB 3.29Å; V816-F820 PolarHBondContact O-N 3.2Å; Y817-F820 HydrophobicContact CD2-CD1 4.33Å; Y817-F820 HydrophobicContact CE2-CD1 4.26Å; Y817-F820 WeakPolarHBondContact O-CB 3.39Å; Y817-F820 PolarHBondContact O-N 3.09Å; V818-F820 VanDerWaalsContact C-N 3.31Å; V818-F820 PolarHBondContact O-N 3.42Å; F820-L822 PolarHBondContact O-N 2.82Å; F820-F823 PolarHBondContact O-N 3.17Å; F820-F824 HydrophobicContact CE1-CD1 4.38Å; F820-F824 HydrophobicContact CE2-CB 4.36Å; F820-F824 HydrophobicContact CZ-CB 4.36Å; F820-F824 HydrophobicContact CZ-CD1 4Å; F820-F824 HydrophobicContact CZ-CG 4.37Å; F820-F824 VanDerWaalsContact O-CB 3.27Å; F820-F824 WeakPolarHBondContact O-CB 3.45Å; F820-F824 PolarHBondContact O-N 3.41Å; F820-Y847 HydrophobicContact CB-CE2 4.3Å; F820-Y847 HydrophobicContact CD1-CD1 4.25Å; F820-Y847 AromaticContact CD1-CE1 3.71Å; F820-Y847 HydrophobicContact CD1-CE1 3.71Å; F820-Y847 AromaticContact CD1-CZ 3.95Å; F820-Y847 AromaticContact CD2-CD1 3.57Å; F820-Y847 HydrophobicContact CD2-CD1 3.57Å; F820-Y847 AromaticContact CD2-CD2 3.91Å; F820-Y847 HydrophobicContact CD2-CD2 3.91Å; F820-Y847 AromaticContact CD2-CE1 3.81Å; F820-Y847 HydrophobicContact CD2-CE1 3.81Å; F820-Y847 HydrophobicContact CD2-CE2 4.13Å; F820-Y847 AromaticContact CD2-CG 3.62Å; F820-Y847 HydrophobicContact CD2-CG 3.62Å; F820-Y847 AromaticContact CE1-CD1 3.96Å; F820-Y847 HydrophobicContact CE1-CD1 3.96Å; F820-Y847 AromaticContact CE1-CE1 3.62Å; F820-Y847 HydrophobicContact CE1-CE1 3.62Å; F820-Y847 AromaticContact CE2-CD1 3.22Å; F820-Y847 HydrophobicContact CE2-CD1 3.22Å; F820-Y847 HydrophobicContact CE2-CD2 4.35Å; F820-Y847 AromaticContact CE2-CE1 3.73Å; F820-Y847 HydrophobicContact CE2-CE1 3.73Å; F820-Y847 AromaticContact CE2-CG 3.59Å; F820-Y847 HydrophobicContact CE2-CG 3.59Å; F820-Y847 HydrophobicContact CG-CD1 4.07Å; F820-Y847 HydrophobicContact CG-CD2 4.35Å; F820-Y847 AromaticContact CG-CE1 3.8Å; F820-Y847 HydrophobicContact CG-CE1 3.8Å; F820-Y847 HydrophobicContact CG-CE2 4.1Å; F820-Y847 HydrophobicContact CG-CG 4.34Å; F820-Y847 AromaticContact CG-CZ 3.82Å; F820-Y847 AromaticContact CZ-CD1 3.44Å; F820-Y847 HydrophobicContact CZ-CD1 3.44Å; F820-Y847 VanDerWaalsContact CZ-CD1 3.44Å; F820-Y847 AromaticContact CZ-CE1 3.63Å; F820-Y847 HydrophobicContact CZ-CE1 3.63Å; F820-Y847 HydrophobicContact CZ-CG 4.27Å; F820-F848 HydrophobicContact CZ-CE1 4.28Å; F820-F848 AromaticContact CZ-CZ 4Å; F820-F848 HydrophobicContact CZ-CZ 4Å
821L93.6Very high91.2Very high3 Ų355.6 Ų55.62%0.01628%0.277CS..Hα-helixtrans-62.5-42.8177.9-71.7177.3000112.3Y817 V818 I819 F824 S825 C918 Y919 I922Y817-L821 HydrophobicContact CD1-CD1 4.02Å; Y817-L821 HydrophobicContact CD1-CG 4.4Å; Y817-L821 HydrophobicContact CE1-CD1 3.66Å; Y817-L821 HydrophobicContact CE1-CD2 4.46Å; Y817-L821 HydrophobicContact CE1-CG 4.1Å; Y817-L821 WeakPolarHBondContact O-CG 3.45Å; Y817-L821 PolarHBondContact O-N 3.03Å; V818-L821 PolarHBondContact O-N 3.25Å; I819-L821 PolarHBondContact O-N 2.63Å; L821-F824 PolarHBondContact O-N 3.49Å; L821-S825 WeakPolarHBondContact O-CB 3.35Å; L821-S825 PolarHBondContact O-N 3.4Å; L821-S825 PolarHBondContact O-OG 3.26Å; L821-S825 VanDerWaalsContact O-OG 3.05Å; L821-C918 HydrophobicContact CD2-CB 3.59Å; L821-Y919 HydrophobicContact CB-CE1 4.49Å; L821-Y919 HydrophobicContact CD1-CD1 4.2Å; L821-Y919 HydrophobicContact CD1-CE1 4.28Å; L821-I922 HydrophobicContact CD1-CD1 3.47Å; L821-I922 VanDerWaalsContact CD1-CD1 3.47Å; L821-I922 HydrophobicContact CD1-CG1 3.61Å
822L93.9Very high90.8Very high111 Ų11156.4 Ų56.458%0.58128%0.282SS*.Hα-helixtrans-63.8-42.8175.9-68.5174000111.4V818 I819 F820 S825 Y826V818-L822 HydrophobicContact CG1-CD1 4.35Å; V818-L822 WeakPolarHBondContact O-CG 3.31Å; V818-L822 PolarHBondContact O-N 3.35Å; I819-L822 PolarHBondContact O-N 3.05Å; F820-L822 PolarHBondContact O-N 2.82Å; L822-S825 PolarHBondContact O-N 3.41Å; L822-Y826 WeakPolarHBondContact O-CB 3.33Å; L822-Y826 PolarHBondContact O-N 2.93Å
823F94.4Very high90.2Very high63 Ų6357.4 Ų57.428%0.27629%0.287SS..Hα-helixtrans-65.6-39.8177-175.8-101.4000112.2I819 F820 Y826 T827 H840 F843 I844I819-F823 VanDerWaalsContact O-CB 3.31Å; I819-F823 WeakPolarHBondContact O-CB 3.39Å; I819-F823 PolarHBondContact O-N 3.34Å; F820-F823 PolarHBondContact O-N 3.17Å; F823-Y826 PolarHBondContact O-N 2.89Å; F823-T827 WeakPolarHBondContact O-CB 3.22Å; F823-T827 PolarHBondContact O-N 3.31Å; F823-T827 PolarHBondContact O-OG1 3.05Å; F823-H840 AromaticContact CE2-ND1 3.94Å; F823-H840 HydrophobicContact CZ-CB 4.02Å; F823-H840 AromaticContact CZ-ND1 3.81Å; F823-F843 HydrophobicContact CE1-CB 3.91Å; F823-F843 HydrophobicContact CZ-CB 4.26Å; F823-I844 HydrophobicContact CD1-CG1 4.13Å; F823-I844 HydrophobicContact CE1-CD1 4.42Å; F823-I844 HydrophobicContact CE1-CG1 4.06Å
824F94Very high89.6Confident1 Ų157.7 Ų57.70%0.00429%0.292CS..Hα-helixtrans-65.6-45.7177-172.4-162.6000110.8F820 L821 T827 L828 I844 F848 Y911 T914 L915F820-F824 HydrophobicContact CE1-CD1 4.38Å; F820-F824 HydrophobicContact CE2-CB 4.36Å; F820-F824 HydrophobicContact CZ-CB 4.36Å; F820-F824 HydrophobicContact CZ-CD1 4Å; F820-F824 HydrophobicContact CZ-CG 4.37Å; F820-F824 VanDerWaalsContact O-CB 3.27Å; F820-F824 WeakPolarHBondContact O-CB 3.45Å; F820-F824 PolarHBondContact O-N 3.41Å; L821-F824 PolarHBondContact O-N 3.49Å; F824-T827 PolarHBondContact O-N 3.3Å; F824-L828 HydrophobicContact CD2-CD1 3.78Å; F824-L828 HydrophobicContact CD2-CG 3.85Å; F824-L828 HydrophobicContact CE2-CD1 3.38Å; F824-L828 HydrophobicContact CE2-CD2 4Å; F824-L828 HydrophobicContact CE2-CG 3.64Å; F824-L828 HydrophobicContact CZ-CD1 3.8Å; F824-L828 WeakPolarHBondContact O-CG 3.5Å; F824-L828 PolarHBondContact O-N 2.86Å; F824-I844 HydrophobicContact CD2-CD1 3.61Å; F824-I844 HydrophobicContact CD2-CG1 4.16Å; F824-I844 HydrophobicContact CD2-CG2 3.98Å; F824-I844 HydrophobicContact CE2-CD1 4.28Å; F824-I844 HydrophobicContact CE2-CG2 3.95Å; F824-I844 HydrophobicContact CG-CD1 4.44Å; F824-F848 HydrophobicContact CE1-CE2 4.41Å; F824-F848 AromaticContact CE1-CZ 3.98Å; F824-F848 HydrophobicContact CE1-CZ 3.98Å; F824-F848 HydrophobicContact CZ-CE2 4.28Å; F824-F848 HydrophobicContact CZ-CZ 4.25Å; F824-Y911 HydrophobicContact CE2-CD1 4.02Å; F824-Y911 AromaticContact CZ-CD1 3.98Å; F824-Y911 HydrophobicContact CZ-CD1 3.98Å; F824-T914 HydrophobicContact CE1-CG2 4.34Å; F824-T914 HydrophobicContact CZ-CG2 4.46Å; F824-L915 HydrophobicContact CB-CD1 4.11Å; F824-L915 HydrophobicContact CD1-CB 4.21Å; F824-L915 HydrophobicContact CD1-CD1 3.32Å; F824-L915 HydrophobicContact CD1-CG 4.38Å; F824-L915 HydrophobicContact CE1-CB 3.78Å; F824-L915 HydrophobicContact CE1-CD1 3.82Å; F824-L915 HydrophobicContact CE1-CG 4.44Å; F824-L915 HydrophobicContact CG-CD1 3.77Å; F824-L915 HydrophobicContact CZ-CB 4.2Å
825S94.4Very high88.8Confident20 Ų2060.6 Ų60.614%0.1431%0.306CS..Hα-helixtrans-59.6-45.8173.7-67.20000112.3L821 L822 T827 L828 L829 Y919L821-S825 WeakPolarHBondContact O-CB 3.35Å; L821-S825 PolarHBondContact O-N 3.4Å; L821-S825 PolarHBondContact O-OG 3.26Å; L821-S825 VanDerWaalsContact O-OG 3.05Å; L822-S825 PolarHBondContact O-N 3.41Å; S825-T827 PolarHBondContact O-N 3.4Å; S825-L828 PolarHBondContact O-N 2.89Å; S825-L829 WeakPolarHBondContact O-CB 3.31Å; S825-L829 WeakPolarHBondContact O-CG 3.25Å; S825-L829 PolarHBondContact O-N 3.28Å; S825-L829 VanDerWaalsContact O-N 3.09Å; S825-Y919 PolarHBondContact OG-OH 3.05Å
826Y94Very high88.4Confident113 Ų11363.2 Ų63.244%0.44332%0.317SS..Hα-helixtrans-58.8-46.6176170.9-97.6000111.8L822 F823 L828 L829 F830 S831L822-Y826 WeakPolarHBondContact O-CB 3.33Å; L822-Y826 PolarHBondContact O-N 2.93Å; F823-Y826 PolarHBondContact O-N 2.89Å; Y826-L828 PolarHBondContact O-N 3.03Å; Y826-L829 PolarHBondContact O-N 3.15Å; Y826-F830 AromaticContact CD2-CD2 3.57Å; Y826-F830 HydrophobicContact CD2-CD2 3.57Å; Y826-F830 HydrophobicContact CD2-CE2 4.17Å; Y826-F830 HydrophobicContact CE2-CB 4.32Å; Y826-F830 AromaticContact CE2-CD2 3.72Å; Y826-F830 HydrophobicContact CE2-CD2 3.72Å; Y826-F830 HydrophobicContact CE2-CE2 4.48Å; Y826-F830 HydrophobicContact CE2-CG 4.33Å; Y826-F830 HydrophobicContact CG-CD2 4.39Å; Y826-F830 PolarHBondContact O-N 3.36Å; Y826-S831 WeakPolarHBondContact CE1-OG 3.5Å
827T91.7Very high88Confident1 Ų163.8 Ų63.81%0.00632%0.317CS..Iπ-helixtrans-65.4-42.7-176.4-55.80000111.1F823 F824 S825 L829 S831 T832 H840 E841 I844F823-T827 WeakPolarHBondContact O-CB 3.22Å; F823-T827 PolarHBondContact O-N 3.31Å; F823-T827 PolarHBondContact O-OG1 3.05Å; F824-T827 PolarHBondContact O-N 3.3Å; S825-T827 PolarHBondContact O-N 3.4Å; T827-L829 PolarHBondContact O-N 3.25Å; T827-S831 CarbonylContact O-C 3.47Å; T827-S831 WeakPolarHBondContact O-CA 3.47Å; T827-S831 PolarHBondContact O-N 3.19Å; T827-T832 PolarHBondContact O-N 3.41Å; T827-H840 HydrophobicContact CG2-CB 3.73Å; T827-E841 HydrophobicContact CG2-CB 4.47Å; T827-I844 VanDerWaalsContact CB-CD1 3.43Å; T827-I844 HydrophobicContact CG2-CD1 3.5Å
828L89.6Confident87.8Confident13 Ų1364.7 Ų64.77%0.06832%0.323CS..Iπ-helixtrans-66.9-34.6178.1-71.4178.8000113.5F824 S825 Y826 T832 K908 Y911 L915F824-L828 HydrophobicContact CD2-CD1 3.78Å; F824-L828 HydrophobicContact CD2-CG 3.85Å; F824-L828 HydrophobicContact CE2-CD1 3.38Å; F824-L828 HydrophobicContact CE2-CD2 4Å; F824-L828 HydrophobicContact CE2-CG 3.64Å; F824-L828 HydrophobicContact CZ-CD1 3.8Å; F824-L828 WeakPolarHBondContact O-CG 3.5Å; F824-L828 PolarHBondContact O-N 2.86Å; S825-L828 PolarHBondContact O-N 2.89Å; Y826-L828 PolarHBondContact O-N 3.03Å; L828-T832 HydrophobicContact CD2-CG2 4.05Å; L828-T832 PolarHBondContact O-OG1 3.29Å; L828-T832 VanDerWaalsContact O-OG1 3.12Å; L828-K908 PolarHBondContact O-NZ 3.38Å; L828-Y911 HydrophobicContact CD2-CD2 4.33Å; L828-Y911 HydrophobicContact CD2-CG 3.97Å; L828-L915 HydrophobicContact CD1-CB 4.03Å; L828-L915 HydrophobicContact CD1-CD2 3.99Å; L828-L915 HydrophobicContact CD1-CG 4.46Å
829L88.9Confident87.7Confident125 Ų12568.1 Ų68.165%0.65434%0.338SS*.Iπ-helixtrans-73-47.2178-76.2166.9000112.4S825 Y826 T827S825-L829 WeakPolarHBondContact O-CB 3.31Å; S825-L829 WeakPolarHBondContact O-CG 3.25Å; S825-L829 PolarHBondContact O-N 3.28Å; S825-L829 VanDerWaalsContact O-N 3.09Å; Y826-L829 PolarHBondContact O-N 3.15Å; T827-L829 PolarHBondContact O-N 3.25Å
830F88Confident87.5Confident148 Ų14866.3 Ų66.365%0.64933%0.327SS*.Iπ-helixtrans-117.9-29.5-164.8-58.6-69.1000115.1Y826Y826-F830 AromaticContact CD2-CD2 3.57Å; Y826-F830 HydrophobicContact CD2-CD2 3.57Å; Y826-F830 HydrophobicContact CD2-CE2 4.17Å; Y826-F830 HydrophobicContact CE2-CB 4.32Å; Y826-F830 AromaticContact CE2-CD2 3.72Å; Y826-F830 HydrophobicContact CE2-CD2 3.72Å; Y826-F830 HydrophobicContact CE2-CE2 4.48Å; Y826-F830 HydrophobicContact CE2-CG 4.33Å; Y826-F830 HydrophobicContact CG-CD2 4.39Å; Y826-F830 PolarHBondContact O-N 3.36Å
831S83.4Confident87.3Confident14 Ų1465.9 Ų65.910%0.09833%0.325CS..Iπ-helixtrans-108.55.8-166.1-59.60000114.1Y826 T827 L833 T838Y826-S831 WeakPolarHBondContact CE1-OG 3.5Å; T827-S831 CarbonylContact O-C 3.47Å; T827-S831 WeakPolarHBondContact O-CA 3.47Å; T827-S831 PolarHBondContact O-N 3.19Å; S831-L833 PolarHBondContact O-N 3.35Å; S831-T838 WeakPolarHBondContact O-CB 3.44Å; S831-T838 WeakPolarHBondContact O-CG2 3.42Å; S831-T838 PolarHBondContact O-OG1 2.93Å
832T80.6Confident87Confident21 Ų2167.1 Ų67.113%0.12934%0.339CS..  trans-87.4101.717646.80000110.8T827 L828 K908T827-T832 PolarHBondContact O-N 3.41Å; L828-T832 HydrophobicContact CD2-CG2 4.05Å; L828-T832 PolarHBondContact O-OG1 3.29Å; L828-T832 VanDerWaalsContact O-OG1 3.12Å; T832-K908 PolarHBondContact OG1-NZ 2.59Å
833L78.2Confident87Confident100 Ų10068.1 Ų68.152%0.52434%0.339SS..  trans-92.4144174.7-67.6167.8000110.5S831 T838 R897S831-L833 PolarHBondContact O-N 3.35Å; L833-T838 HydrophobicContact CB-CG2 4.26Å; L833-T838 HydrophobicContact CD1-CG2 3.66Å; L833-T838 HydrophobicContact CG-CG2 4Å; L833-R897 PolarHBondContact O-NH2 3.41Å
834Q76.5Confident86.8Confident99 Ų9965.3 Ų65.346%0.46333%0.326SS..SBendtrans-67-40.1-176.6-172.9170.6-1500112.4F904Q834-F904 HydrophobicContact CB-CD1 4.31Å; Q834-F904 HydrophobicContact CB-CD2 4.48Å; Q834-F904 HydrophobicContact CB-CE1 4.31Å; Q834-F904 HydrophobicContact CB-CE2 4.49Å; Q834-F904 HydrophobicContact CB-CG 4.39Å; Q834-F904 HydrophobicContact CB-CZ 4.39Å; Q834-F904 HydrophobicContact CG-CB 4.19Å; Q834-F904 HydrophobicContact CG-CD1 3.99Å; Q834-F904 HydrophobicContact CG-CD2 4.39Å; Q834-F904 HydrophobicContact CG-CE1 4.48Å; Q834-F904 HydrophobicContact CG-CG 3.93Å
835N72.3Confident86.7Confident96 Ų9666.8 Ų66.851%0.51333%0.334SS..SBendtrans-98.7-10.4-165.3-66.915.1000114.1L900 E901N835-L900 VanDerWaalsContact O-CD2 3.24Å; N835-L900 WeakPolarHBondContact O-CD2 3.43Å; N835-E901 PolarHBondContact ND2-OE1 3.33Å; N835-E901 PolarHBondContact OD1-OE1 3.5Å
836E81.6Confident86.6Confident137 Ų13768.3 Ų68.364%0.6435%0.348SS*.SBendtrans-145.9148.5-178-64.5-175.1173.900111.4T838 R897E836-T838 PolarHBondContact O-N 2.93Å; E836-R897 PolarHBondContact O-NH2 3.46Å
837I83Confident86.5Confident83 Ų8365.4 Ų65.443%0.42634%0.336SS..  trans-80.9114.1171.7-63.5169.4000107.5E841 M845I837-E841 HydrophobicContact CG2-CB 4.13Å; I837-E841 HydrophobicContact CG2-CG 4.23Å; I837-M845 HydrophobicContact CD1-CE 4.43Å; I837-M845 HydrophobicContact CG2-CE 4.39Å; I837-M845 HydrophobicContact CG2-SD 4.47Å
838T87.1Confident86.6Confident22 Ų2265.4 Ų65.414%0.13534%0.336CS..  trans-72.6155.7179.159.90000111.2S831 L833 E836 H840 E841 G842S831-T838 WeakPolarHBondContact O-CB 3.44Å; S831-T838 WeakPolarHBondContact O-CG2 3.42Å; S831-T838 PolarHBondContact O-OG1 2.93Å; L833-T838 HydrophobicContact CB-CG2 4.26Å; L833-T838 HydrophobicContact CD1-CG2 3.66Å; L833-T838 HydrophobicContact CG-CG2 4Å; E836-T838 PolarHBondContact O-N 2.93Å; T838-H840 PolarHBondContact O-N 3.42Å; T838-E841 WeakPolarHBondContact O-CB 3.3Å; T838-E841 PolarHBondContact O-N 3.48Å; T838-E841 PolarHBondContact OG1-N 2.73Å; T838-G842 PolarHBondContact O-N 3.41Å
839I89Confident86.6Confident137 Ų13769.1 Ų69.170%0.70336%0.355SS*.Hα-helixtrans-55.1-37.5175.9-62.5170.6000110.5G842 F843I839-G842 PolarHBondContact O-N 2.88Å; I839-F843 HydrophobicContact CG2-CD2 4.09Å; I839-F843 HydrophobicContact CG2-CE2 3.72Å; I839-F843 VanDerWaalsContact O-CD2 3.25Å; I839-F843 WeakPolarHBondContact O-CD2 3.47Å; I839-F843 PolarHBondContact O-N 3.47Å; I839-F843 VanDerWaalsContact O-N 3.12Å
840H89.9Confident86.8Confident72 Ų7265.7 Ų65.733%0.33335%0.345SS..Hα-helixtrans-62.5-42.7176.1-58.3-59.6000112.7F823 T827 T838 G842 F843 I844F823-H840 AromaticContact CE2-ND1 3.94Å; F823-H840 HydrophobicContact CZ-CB 4.02Å; F823-H840 AromaticContact CZ-ND1 3.81Å; T827-H840 HydrophobicContact CG2-CB 3.73Å; T838-H840 PolarHBondContact O-N 3.42Å; H840-G842 VanDerWaalsContact C-N 3.34Å; H840-F843 PolarHBondContact O-N 3.11Å; H840-I844 PolarHBondContact O-N 2.99Å
841E88.3Confident86.8Confident4 Ų459.5 Ų59.52%0.01932%0.318CS..Hα-helixtrans-65.4-39.2175.7-171175.2-16600111.4T827 I837 T838 F843 I844 M845 R897T827-E841 HydrophobicContact CG2-CB 4.47Å; I837-E841 HydrophobicContact CG2-CB 4.13Å; I837-E841 HydrophobicContact CG2-CG 4.23Å; T838-E841 WeakPolarHBondContact O-CB 3.3Å; T838-E841 PolarHBondContact O-N 3.48Å; T838-E841 PolarHBondContact OG1-N 2.73Å; E841-F843 VanDerWaalsContact C-N 3.31Å; E841-F843 PolarHBondContact O-N 3.14Å; E841-I844 PolarHBondContact O-N 3.45Å; E841-I844 VanDerWaalsContact O-N 3.12Å; E841-M845 HydrophobicContact CG-CE 3.96Å; E841-M845 WeakPolarHBondContact O-CG 3.33Å; E841-M845 PolarHBondContact O-N 3.24Å; E841-R897 VanDerWaalsContact CD-NE 3.34Å; E841-R897 VanDerWaalsContact OE1-CD 3.3Å; E841-R897 WeakPolarHBondContact OE1-CD 3.4Å; E841-R897 WeakPolarHBondContact OE1-CG 3.44Å; E841-R897 IonicContact OE1-CZ 3.41Å; E841-R897 IonicContact OE1-NE 3.15Å; E841-R897 PolarHBondContact OE1-NE 3.41Å; E841-R897 IonicContact OE1-NH2 2.78Å; E841-R897 IonicContact OE2-CZ 3.6Å; E841-R897 IonicContact OE2-NE 3.79Å; E841-R897 PolarHBondContact OE2-NE 3.06Å; E841-R897 VanDerWaalsContact OE2-NE 3.14Å; E841-R897 IonicContact OE2-NH2 3.58Å; E841-R897 PolarHBondContact OE2-NH2 2.89Å
842G89Confident87.2Confident30 Ų3061 Ų6131%0.30932%0.324SS..Hα-helixtrans-57.3-40.2173.100000113.4T838 I839 H840 I844 M845 A846T838-G842 PolarHBondContact O-N 3.41Å; I839-G842 PolarHBondContact O-N 2.88Å; H840-G842 VanDerWaalsContact C-N 3.34Å; G842-I844 VanDerWaalsContact C-N 3.35Å; G842-I844 PolarHBondContact O-N 3.11Å; G842-M845 PolarHBondContact O-N 3.27Å; G842-A846 WeakPolarHBondContact O-CB 3.46Å; G842-A846 PolarHBondContact O-N 3.44Å
843F92.3Very high87.7Confident132 Ų13265.1 Ų65.158%0.57935%0.345SS*.Hα-helixtrans-63.2-38.2175-82-66.1000112.9F823 I839 H840 E841 A846 Y847F823-F843 HydrophobicContact CE1-CB 3.91Å; F823-F843 HydrophobicContact CZ-CB 4.26Å; I839-F843 HydrophobicContact CG2-CD2 4.09Å; I839-F843 HydrophobicContact CG2-CE2 3.72Å; I839-F843 VanDerWaalsContact O-CD2 3.25Å; I839-F843 WeakPolarHBondContact O-CD2 3.47Å; I839-F843 PolarHBondContact O-N 3.47Å; I839-F843 VanDerWaalsContact O-N 3.12Å; H840-F843 PolarHBondContact O-N 3.11Å; E841-F843 VanDerWaalsContact C-N 3.31Å; E841-F843 PolarHBondContact O-N 3.14Å; F843-A846 PolarHBondContact O-N 3.49Å; F843-Y847 PolarHBondContact O-N 3.35Å
844I91.7Very high88.2Confident4 Ų463.1 Ų63.12%0.02134%0.335CS..Hα-helixtrans-67.8-43.9176.7-69156.9000110.7F823 F824 T827 H840 E841 G842 A846 Y847 F848F823-I844 HydrophobicContact CD1-CG1 4.13Å; F823-I844 HydrophobicContact CE1-CD1 4.42Å; F823-I844 HydrophobicContact CE1-CG1 4.06Å; F824-I844 HydrophobicContact CD2-CD1 3.61Å; F824-I844 HydrophobicContact CD2-CG1 4.16Å; F824-I844 HydrophobicContact CD2-CG2 3.98Å; F824-I844 HydrophobicContact CE2-CD1 4.28Å; F824-I844 HydrophobicContact CE2-CG2 3.95Å; F824-I844 HydrophobicContact CG-CD1 4.44Å; T827-I844 VanDerWaalsContact CB-CD1 3.43Å; T827-I844 HydrophobicContact CG2-CD1 3.5Å; H840-I844 PolarHBondContact O-N 2.99Å; E841-I844 PolarHBondContact O-N 3.45Å; E841-I844 VanDerWaalsContact O-N 3.12Å; G842-I844 VanDerWaalsContact C-N 3.35Å; G842-I844 PolarHBondContact O-N 3.11Å; I844-A846 VanDerWaalsContact C-N 3.3Å; I844-A846 PolarHBondContact O-N 3.02Å; I844-Y847 WeakPolarHBondContact O-CB 3.25Å; I844-Y847 PolarHBondContact O-N 3.43Å; I844-F848 HydrophobicContact CG2-CD2 3.73Å; I844-F848 HydrophobicContact CG2-CE2 3.38Å; I844-F848 HydrophobicContact CG2-CZ 4.43Å; I844-F848 VanDerWaalsContact O-CD2 3.25Å; I844-F848 WeakPolarHBondContact O-CD2 3.43Å; I844-F848 PolarHBondContact O-N 3.3Å
845M90.6Very high88.6Confident31 Ų3159 Ų5915%0.15332%0.316CS..Hα-helixtrans-58.5-44.5175-66-179.8175.300111I837 E841 G842 Y847 F848 I849 M894 R897 Y911I837-M845 HydrophobicContact CD1-CE 4.43Å; I837-M845 HydrophobicContact CG2-CE 4.39Å; I837-M845 HydrophobicContact CG2-SD 4.47Å; E841-M845 HydrophobicContact CG-CE 3.96Å; E841-M845 WeakPolarHBondContact O-CG 3.33Å; E841-M845 PolarHBondContact O-N 3.24Å; G842-M845 PolarHBondContact O-N 3.27Å; M845-Y847 VanDerWaalsContact C-N 3.34Å; M845-Y847 PolarHBondContact O-N 3.49Å; M845-F848 PolarHBondContact O-N 3.5Å; M845-I849 WeakPolarHBondContact O-CG1 3.42Å; M845-I849 PolarHBondContact O-N 3.21Å; M845-M894 HydrophobicContact CB-SD 3.83Å; M845-M894 HydrophobicContact CE-CG 4.46Å; M845-M894 HydrophobicContact CG-CG 3.96Å; M845-M894 HydrophobicContact CG-SD 3.83Å; M845-R897 HydrophobicContact CE-CB 4.23Å; M845-R897 HydrophobicContact CE-CG 3.76Å; M845-Y911 VanDerWaalsContact CE-OH 3.26Å; M845-Y911 WeakPolarHBondContact CE-OH 3.41Å
846A92.6Very high89.3Confident53 Ų5358.4 Ų58.444%0.43831%0.312SS..Hα-helixtrans-61.4-40175.700000112.6G842 F843 I844 I849 A850G842-A846 WeakPolarHBondContact O-CB 3.46Å; G842-A846 PolarHBondContact O-N 3.44Å; F843-A846 PolarHBondContact O-N 3.49Å; I844-A846 VanDerWaalsContact C-N 3.3Å; I844-A846 PolarHBondContact O-N 3.02Å; A846-I849 PolarHBondContact O-N 3.29Å; A846-A850 PolarHBondContact O-N 3.21Å
847Y92.6Very high89.7Confident52 Ų5257.9 Ų57.920%0.20430%0.304CS..Hα-helixtrans-62.4-43.1175.7-176.3-89.4000112.2F820 F843 I844 M845 I849 A850 M851F820-Y847 HydrophobicContact CB-CE2 4.3Å; F820-Y847 HydrophobicContact CD1-CD1 4.25Å; F820-Y847 AromaticContact CD1-CE1 3.71Å; F820-Y847 HydrophobicContact CD1-CE1 3.71Å; F820-Y847 AromaticContact CD1-CZ 3.95Å; F820-Y847 AromaticContact CD2-CD1 3.57Å; F820-Y847 HydrophobicContact CD2-CD1 3.57Å; F820-Y847 AromaticContact CD2-CD2 3.91Å; F820-Y847 HydrophobicContact CD2-CD2 3.91Å; F820-Y847 AromaticContact CD2-CE1 3.81Å; F820-Y847 HydrophobicContact CD2-CE1 3.81Å; F820-Y847 HydrophobicContact CD2-CE2 4.13Å; F820-Y847 AromaticContact CD2-CG 3.62Å; F820-Y847 HydrophobicContact CD2-CG 3.62Å; F820-Y847 AromaticContact CE1-CD1 3.96Å; F820-Y847 HydrophobicContact CE1-CD1 3.96Å; F820-Y847 AromaticContact CE1-CE1 3.62Å; F820-Y847 HydrophobicContact CE1-CE1 3.62Å; F820-Y847 AromaticContact CE2-CD1 3.22Å; F820-Y847 HydrophobicContact CE2-CD1 3.22Å; F820-Y847 HydrophobicContact CE2-CD2 4.35Å; F820-Y847 AromaticContact CE2-CE1 3.73Å; F820-Y847 HydrophobicContact CE2-CE1 3.73Å; F820-Y847 AromaticContact CE2-CG 3.59Å; F820-Y847 HydrophobicContact CE2-CG 3.59Å; F820-Y847 HydrophobicContact CG-CD1 4.07Å; F820-Y847 HydrophobicContact CG-CD2 4.35Å; F820-Y847 AromaticContact CG-CE1 3.8Å; F820-Y847 HydrophobicContact CG-CE1 3.8Å; F820-Y847 HydrophobicContact CG-CE2 4.1Å; F820-Y847 HydrophobicContact CG-CG 4.34Å; F820-Y847 AromaticContact CG-CZ 3.82Å; F820-Y847 AromaticContact CZ-CD1 3.44Å; F820-Y847 HydrophobicContact CZ-CD1 3.44Å; F820-Y847 VanDerWaalsContact CZ-CD1 3.44Å; F820-Y847 AromaticContact CZ-CE1 3.63Å; F820-Y847 HydrophobicContact CZ-CE1 3.63Å; F820-Y847 HydrophobicContact CZ-CG 4.27Å; F843-Y847 PolarHBondContact O-N 3.35Å; I844-Y847 WeakPolarHBondContact O-CB 3.25Å; I844-Y847 PolarHBondContact O-N 3.43Å; M845-Y847 VanDerWaalsContact C-N 3.34Å; M845-Y847 PolarHBondContact O-N 3.49Å; Y847-I849 PolarHBondContact O-N 3.41Å; Y847-A850 WeakPolarHBondContact O-CB 3.16Å; Y847-A850 PolarHBondContact O-N 3.45Å; Y847-M851 HydrophobicContact CD1-CG 4.27Å; Y847-M851 HydrophobicContact CE1-CE 4.37Å; Y847-M851 HydrophobicContact CE1-CG 3.81Å; Y847-M851 HydrophobicContact CE1-SD 3.99Å; Y847-M851 PolarHBondContact O-N 3.46Å
848F92.4Very high89.8Confident1 Ų155.7 Ų55.70%0.00429%0.292CS..Hα-helixtrans-65.9-37.4176-73.7-59.2000112.6F820 F824 I844 M845 A850 M851 I852 V886 A890 M894 T914F820-F848 HydrophobicContact CZ-CE1 4.28Å; F820-F848 AromaticContact CZ-CZ 4Å; F820-F848 HydrophobicContact CZ-CZ 4Å; F824-F848 HydrophobicContact CE1-CE2 4.41Å; F824-F848 AromaticContact CE1-CZ 3.98Å; F824-F848 HydrophobicContact CE1-CZ 3.98Å; F824-F848 HydrophobicContact CZ-CE2 4.28Å; F824-F848 HydrophobicContact CZ-CZ 4.25Å; I844-F848 HydrophobicContact CG2-CD2 3.73Å; I844-F848 HydrophobicContact CG2-CE2 3.38Å; I844-F848 HydrophobicContact CG2-CZ 4.43Å; I844-F848 VanDerWaalsContact O-CD2 3.25Å; I844-F848 WeakPolarHBondContact O-CD2 3.43Å; I844-F848 PolarHBondContact O-N 3.3Å; M845-F848 PolarHBondContact O-N 3.5Å; F848-A850 VanDerWaalsContact C-N 3.32Å; F848-A850 PolarHBondContact O-N 2.99Å; F848-M851 HydrophobicContact CD1-CE 3.75Å; F848-M851 HydrophobicContact CE1-CE 3.95Å; F848-M851 PolarHBondContact O-N 3.25Å; F848-I852 WeakPolarHBondContact O-CG1 3.28Å; F848-I852 PolarHBondContact O-N 2.99Å; F848-V886 HydrophobicContact CE1-CG1 4.23Å; F848-A890 HydrophobicContact CB-CB 4.31Å; F848-A890 HydrophobicContact CD1-CB 3.64Å; F848-A890 HydrophobicContact CD2-CB 3.95Å; F848-A890 HydrophobicContact CE1-CB 3.85Å; F848-A890 HydrophobicContact CE2-CB 4.12Å; F848-A890 HydrophobicContact CG-CB 3.71Å; F848-A890 HydrophobicContact CZ-CB 4.09Å; F848-M894 HydrophobicContact CB-CE 4.32Å; F848-T914 HydrophobicContact CE1-CG2 4.09Å; F848-T914 HydrophobicContact CE2-CG2 4.39Å; F848-T914 HydrophobicContact CZ-CG2 3.64Å
849I91.4Very high89.6Confident90 Ų9056.7 Ų56.746%0.46230%0.296SS..Hα-helixtrans-61.7-42.4172.1-66.5166.1000110.5M845 A846 Y847 M851 I852 I853M845-I849 WeakPolarHBondContact O-CG1 3.42Å; M845-I849 PolarHBondContact O-N 3.21Å; A846-I849 PolarHBondContact O-N 3.29Å; Y847-I849 PolarHBondContact O-N 3.41Å; I849-M851 VanDerWaalsContact C-N 3.33Å; I849-M851 PolarHBondContact O-N 3.4Å; I849-I852 WeakPolarHBondContact O-CB 3.15Å; I849-I852 PolarHBondContact O-N 3.39Å; I849-I853 HydrophobicContact CG2-CD1 4.29Å; I849-I853 WeakPolarHBondContact O-CG1 3.43Å; I849-I853 PolarHBondContact O-N 2.99Å; I849-I853 VanDerWaalsContact O-N 3.1Å
850A92.5Very high89.3Confident54 Ų5457 Ų5745%0.44629%0.292SS..Hα-helixtrans-61.8-39.6175.500000112.3A846 Y847 F848 I852 I853 D854A846-A850 PolarHBondContact O-N 3.21Å; Y847-A850 WeakPolarHBondContact O-CB 3.16Å; Y847-A850 PolarHBondContact O-N 3.45Å; F848-A850 VanDerWaalsContact C-N 3.32Å; F848-A850 PolarHBondContact O-N 2.99Å; A850-I852 PolarHBondContact O-N 2.84Å; A850-I853 PolarHBondContact O-N 3.12Å; A850-D854 PolarHBondContact O-N 2.95Å
851M88.8Confident88.9Confident18 Ų1859.1 Ų59.19%0.08931%0.306CS..Hα-helixtrans-62.8-38.8173.4-75.8-141.5-60.700112.8Y847 F848 I849 I853 D854 I855 V886 R921Y847-M851 HydrophobicContact CD1-CG 4.27Å; Y847-M851 HydrophobicContact CE1-CE 4.37Å; Y847-M851 HydrophobicContact CE1-CG 3.81Å; Y847-M851 HydrophobicContact CE1-SD 3.99Å; Y847-M851 PolarHBondContact O-N 3.46Å; F848-M851 HydrophobicContact CD1-CE 3.75Å; F848-M851 HydrophobicContact CE1-CE 3.95Å; F848-M851 PolarHBondContact O-N 3.25Å; I849-M851 VanDerWaalsContact C-N 3.33Å; I849-M851 PolarHBondContact O-N 3.4Å; M851-I853 VanDerWaalsContact C-N 3.31Å; M851-I853 PolarHBondContact O-N 3.14Å; M851-D854 PolarHBondContact O-N 3.24Å; M851-I855 PolarHBondContact O-N 3.43Å; M851-V886 HydrophobicContact CE-CG1 4.2Å; M851-R921 PolarHBondContact SD-NH1 3.46Å
852I90.3Very high88.2Confident44 Ų4459.4 Ų59.423%0.22631%0.308CS..Hα-helixtrans-60.2-44.9175.4-68166.1000110.4F848 I849 A850 D854 I855 I856 I887 L891F848-I852 WeakPolarHBondContact O-CG1 3.28Å; F848-I852 PolarHBondContact O-N 2.99Å; I849-I852 WeakPolarHBondContact O-CB 3.15Å; I849-I852 PolarHBondContact O-N 3.39Å; A850-I852 PolarHBondContact O-N 2.84Å; I852-D854 VanDerWaalsContact C-N 3.31Å; I852-D854 PolarHBondContact O-N 3.28Å; I852-I855 PolarHBondContact O-N 3.08Å; I852-I856 HydrophobicContact CG2-CD1 4Å; I852-I856 WeakPolarHBondContact O-CG1 3.39Å; I852-I856 PolarHBondContact O-N 3.43Å; I852-I856 VanDerWaalsContact O-N 3.07Å; I852-I887 HydrophobicContact CD1-CG2 4.03Å; I852-I887 HydrophobicContact CG1-CD1 4.08Å; I852-I887 HydrophobicContact CG1-CG1 4.29Å; I852-I887 HydrophobicContact CG1-CG2 3.64Å; I852-L891 HydrophobicContact CD1-CD1 4.37Å; I852-L891 HydrophobicContact CD1-CD2 3.92Å; I852-L891 HydrophobicContact CD1-CG 4.24Å
853I91.9Very high87.2Confident108 Ų10861.1 Ų61.155%0.55431%0.313SS*.Hα-helixtrans-62.1-40.6177.7-64.2168.3000110.8I849 A850 M851 I856 R857I849-I853 HydrophobicContact CG2-CD1 4.29Å; I849-I853 WeakPolarHBondContact O-CG1 3.43Å; I849-I853 PolarHBondContact O-N 2.99Å; I849-I853 VanDerWaalsContact O-N 3.1Å; A850-I853 PolarHBondContact O-N 3.12Å; M851-I853 VanDerWaalsContact C-N 3.31Å; M851-I853 PolarHBondContact O-N 3.14Å; I853-I856 PolarHBondContact O-N 2.92Å; I853-R857 PolarHBondContact O-N 2.82Å
854D88.6Confident85.9Confident58 Ų5856.7 Ų56.731%0.3131%0.305SS..Hα-helixtrans-66.1-40.2179-165.955.1000112.5A850 M851 I852 I856 R857 Q858A850-D854 PolarHBondContact O-N 2.95Å; M851-D854 PolarHBondContact O-N 3.24Å; I852-D854 VanDerWaalsContact C-N 3.31Å; I852-D854 PolarHBondContact O-N 3.28Å; D854-I856 VanDerWaalsContact C-N 3.33Å; D854-I856 PolarHBondContact O-N 3.01Å; D854-R857 WeakPolarHBondContact O-CB 3.31Å; D854-R857 PolarHBondContact O-N 2.97Å; D854-R857 IonicContact OD1-CZ 2.86Å; D854-R857 IonicContact OD1-NE 2.77Å; D854-R857 PolarHBondContact OD1-NE 2.89Å; D854-R857 IonicContact OD1-NH2 3.73Å; D854-R857 PolarHBondContact OD1-NH2 2.96Å; D854-R857 IonicContact OD2-NH2 3.96Å; D854-Q858 VanDerWaalsContact O-CG 3.31Å; D854-Q858 WeakPolarHBondContact O-CG 3.28Å; D854-Q858 PolarHBondContact O-N 2.77Å; D854-Q858 PolarHBondContact OD2-NE2 2.85Å
855I85.8Confident84.7Confident13 Ų1362.7 Ų62.77%0.06734%0.342CS..Hα-helixtrans-61.8-43.4174-67.5-168.3000111M851 I852 R857 Q858 I859 W873 E883 I887M851-I855 PolarHBondContact O-N 3.43Å; I852-I855 PolarHBondContact O-N 3.08Å; I855-R857 VanDerWaalsContact C-N 3.29Å; I855-R857 PolarHBondContact O-N 2.97Å; I855-Q858 PolarHBondContact O-N 3.14Å; I855-Q858 VanDerWaalsContact O-N 3.17Å; I855-I859 HydrophobicContact CG2-CD1 3.85Å; I855-I859 HydrophobicContact CG2-CG1 4.4Å; I855-I859 WeakPolarHBondContact O-CG1 3.45Å; I855-I859 PolarHBondContact O-N 3.49Å; I855-W873 HydrophobicContact CG2-CH2 4.26Å; I855-W873 HydrophobicContact CG2-CZ2 4.04Å; I855-E883 HydrophobicContact CD1-CB 3.96Å; I855-I887 HydrophobicContact CD1-CD1 3.23Å; I855-I887 HydrophobicContact CG1-CD1 4.09Å
856I86.6Confident83.9Confident84 Ų8463.6 Ų63.643%0.43136%0.359SS..Hα-helixtrans-58.4-45.8176-68167.8000109.8I852 I853 D854 Q858 I859 F860I852-I856 HydrophobicContact CG2-CD1 4Å; I852-I856 WeakPolarHBondContact O-CG1 3.39Å; I852-I856 PolarHBondContact O-N 3.43Å; I852-I856 VanDerWaalsContact O-N 3.07Å; I853-I856 PolarHBondContact O-N 2.92Å; D854-I856 VanDerWaalsContact C-N 3.33Å; D854-I856 PolarHBondContact O-N 3.01Å; I856-Q858 PolarHBondContact O-N 2.55Å; I856-I859 PolarHBondContact O-N 2.88Å; I856-F860 HydrophobicContact CG2-CD2 3.71Å; I856-F860 HydrophobicContact CG2-CE2 3.53Å; I856-F860 WeakPolarHBondContact O-CD2 3.48Å; I856-F860 PolarHBondContact O-N 3.31Å
857R89Confident83.1Confident125 Ų12566.4 Ų66.447%0.47237%0.372SS..Hα-helixtrans-58.6-44.2175.9-174-167.164.880.92.8111.9I853 D854 I855 F860 L861I853-R857 PolarHBondContact O-N 2.82Å; D854-R857 WeakPolarHBondContact O-CB 3.31Å; D854-R857 PolarHBondContact O-N 2.97Å; D854-R857 IonicContact OD1-CZ 2.86Å; D854-R857 IonicContact OD1-NE 2.77Å; D854-R857 PolarHBondContact OD1-NE 2.89Å; D854-R857 IonicContact OD1-NH2 3.73Å; D854-R857 PolarHBondContact OD1-NH2 2.96Å; D854-R857 IonicContact OD2-NH2 3.96Å; I855-R857 VanDerWaalsContact C-N 3.29Å; I855-R857 PolarHBondContact O-N 2.97Å; R857-F860 PolarHBondContact O-N 3.33Å; R857-L861 HydrophobicContact CG-CD1 3.91Å; R857-L861 PolarHBondContact O-N 3.24Å
858Q84.7Confident82Confident38 Ų3871.4 Ų71.418%0.17840%0.395CS..Hα-helixtrans-62.2-42.6178-69.117525.900112.1D854 I855 I856 F860 L861 S862D854-Q858 VanDerWaalsContact O-CG 3.31Å; D854-Q858 WeakPolarHBondContact O-CG 3.28Å; D854-Q858 PolarHBondContact O-N 2.77Å; D854-Q858 PolarHBondContact OD2-NE2 2.85Å; I855-Q858 PolarHBondContact O-N 3.14Å; I855-Q858 VanDerWaalsContact O-N 3.17Å; I856-Q858 PolarHBondContact O-N 2.55Å; Q858-F860 VanDerWaalsContact C-N 3.29Å; Q858-F860 PolarHBondContact O-N 2.85Å; Q858-L861 PolarHBondContact O-N 3.44Å; Q858-S862 PolarHBondContact O-N 3.03Å
859I83.1Confident81.3Confident42 Ų4274 Ų7422%0.21541%0.407CS..Hα-helixtrans-63.2-36.5175.9-66.6167.5000111I855 I856 S862 V870 W873I855-I859 HydrophobicContact CG2-CD1 3.85Å; I855-I859 HydrophobicContact CG2-CG1 4.4Å; I855-I859 WeakPolarHBondContact O-CG1 3.45Å; I855-I859 PolarHBondContact O-N 3.49Å; I856-I859 PolarHBondContact O-N 2.88Å; I859-S862 PolarHBondContact O-N 3.49Å; I859-S862 PolarHBondContact O-OG 2.89Å; I859-V870 HydrophobicContact CG2-CG2 3.89Å; I859-W873 HydrophobicContact CG1-CB 4.49Å; I859-W873 HydrophobicContact CG1-CD2 3.99Å; I859-W873 HydrophobicContact CG1-CE3 4.39Å; I859-W873 HydrophobicContact CG1-CG 4.01Å
860F84Confident80.6Confident143 Ų14373.3 Ų73.363%0.62741%0.406SS*.Hα-helixtrans-69.3-35.4176-84.8-68.4000113.2I856 R857 Q858 S862 K869I856-F860 HydrophobicContact CG2-CD2 3.71Å; I856-F860 HydrophobicContact CG2-CE2 3.53Å; I856-F860 WeakPolarHBondContact O-CD2 3.48Å; I856-F860 PolarHBondContact O-N 3.31Å; R857-F860 PolarHBondContact O-N 3.33Å; Q858-F860 VanDerWaalsContact C-N 3.29Å; Q858-F860 PolarHBondContact O-N 2.85Å; F860-S862 VanDerWaalsContact C-N 3.32Å; F860-K869 PolarHBondContact O-NZ 2.94Å
861L81.4Confident79.8Confident118 Ų11873.3 Ų73.362%0.61841%0.407SS*.Hα-helixtrans-76.9-17178-76.5157.4000113.2R857 Q858R857-L861 HydrophobicContact CG-CD1 3.91Å; R857-L861 PolarHBondContact O-N 3.24Å; Q858-L861 PolarHBondContact O-N 3.44Å
862S73.3Confident79Confident9 Ų974.7 Ų74.76%0.06342%0.416CS..SBendtrans-64141.2-179.878.90000111.6Q858 I859 F860 G864 K869Q858-S862 PolarHBondContact O-N 3.03Å; I859-S862 PolarHBondContact O-N 3.49Å; I859-S862 PolarHBondContact O-OG 2.89Å; F860-S862 VanDerWaalsContact C-N 3.32Å; S862-G864 PolarHBondContact O-N 2.87Å; S862-K869 WeakPolarHBondContact O-CD 3.18Å; S862-K869 VanDerWaalsContact O-CE 3.26Å; S862-K869 WeakPolarHBondContact O-CE 3.18Å; S862-K869 WeakPolarHBondContact OG-CA 3.44Å; S862-K869 WeakPolarHBondContact OG-CB 3.26Å; S862-K869 PolarHBondContact OG-O 3.3Å
863P67.7Low78.5Confident66 Ų6673.5 Ų73.543%0.42941%0.409SS..SBendtrans-69.9126.1-179.126.6-32.3000110.8T872P863-T872 PolarHBondContact O-OG1 3.45Å
864G64.1Low78Confident39 Ų3973.4 Ų73.440%0.40240%0.401SS..SBendtrans154177.1177.600000113.1S862 K869S862-G864 PolarHBondContact O-N 2.87Å; G864-K869 WeakPolarHBondContact O-CE 3.43Å; G864-K869 WeakPolarHBondContact O-CG 3.38Å
865V67.6Low77.1Confident131 Ų13176.2 Ų76.279%0.79442%0.416SS*.SBendtrans-124.2125.5176.1-1570000109.3
866G74.6Confident76.4Confident49 Ų4982 Ų8251%0.50544%0.443SS..THydrogen-bonded Turntrans64.1-137.717800000113.8K868 K869G866-K868 PolarHBondContact O-N 3.31Å; G866-K868 VanDerWaalsContact O-N 3.1Å; G866-K869 WeakPolarHBondContact O-CB 3.39Å; G866-K869 PolarHBondContact O-N 2.81Å
867P74.1Confident75.6Confident112 Ų11282.8 Ų82.873%0.72744%0.441SS*.THydrogen-bonded Turntrans-64.8-18.8-173.126.4-34.3000113.4K869 V870 A871P867-K869 PolarHBondContact O-N 3.12Å; P867-V870 PolarHBondContact O-N 3.39Å; P867-A871 PolarHBondContact O-N 3.49Å
868K70.8Confident74.8Confident157 Ų15782 Ų8268%0.68344%0.443SS*.Hα-helixtrans-64-22.5174.4-68-172.1178.2-175.70113G866 V870 A871 T872G866-K868 PolarHBondContact O-N 3.31Å; G866-K868 VanDerWaalsContact O-N 3.1Å; K868-V870 VanDerWaalsContact C-N 3.33Å; K868-A871 PolarHBondContact O-N 2.86Å; K868-T872 PolarHBondContact O-N 3.37Å; K868-T872 PolarHBondContact O-OG1 3.37Å
869K77.4Confident74.5Confident57 Ų5783.9 Ų83.925%0.24845%0.449CS..Hα-helixtrans-62.4-39.6173.5-77.4-163172.4-167.70112.6F860 S862 G864 G866 P867 T872 W873F860-K869 PolarHBondContact O-NZ 2.94Å; S862-K869 WeakPolarHBondContact O-CD 3.18Å; S862-K869 VanDerWaalsContact O-CE 3.26Å; S862-K869 WeakPolarHBondContact O-CE 3.18Å; S862-K869 WeakPolarHBondContact OG-CA 3.44Å; S862-K869 WeakPolarHBondContact OG-CB 3.26Å; S862-K869 PolarHBondContact OG-O 3.3Å; G864-K869 WeakPolarHBondContact O-CE 3.43Å; G864-K869 WeakPolarHBondContact O-CG 3.38Å; G866-K869 WeakPolarHBondContact O-CB 3.39Å; G866-K869 PolarHBondContact O-N 2.81Å; P867-K869 PolarHBondContact O-N 3.12Å; K869-T872 WeakPolarHBondContact CA-OG1 3.48Å; K869-T872 PolarHBondContact O-OG1 3.36Å; K869-T872 VanDerWaalsContact O-OG1 3.06Å; K869-W873 WeakPolarHBondContact O-CB 3.43Å; K869-W873 PolarHBondContact O-N 3.36Å
870V77Confident74.3Confident74 Ų7481.9 Ų81.945%0.44844%0.439SS..Hα-helixtrans-70.1-43.8179.6-177.30000109.9I859 P867 K868 W873 W874I859-V870 HydrophobicContact CG2-CG2 3.89Å; P867-V870 PolarHBondContact O-N 3.39Å; K868-V870 VanDerWaalsContact C-N 3.33Å; V870-W873 PolarHBondContact O-N 3.46Å; V870-W874 WeakPolarHBondContact O-CB 3.25Å; V870-W874 PolarHBondContact O-N 2.96Å
871A75.8Confident74.2Confident55 Ų5580 Ų8046%0.45543%0.427SS..Hα-helixtrans-61.9-43.7176.400000112.2P867 K868 W874 D875P867-A871 PolarHBondContact O-N 3.49Å; K868-A871 PolarHBondContact O-N 2.86Å; A871-W874 WeakPolarHBondContact O-CB 3.44Å; A871-W874 PolarHBondContact O-N 3.17Å; A871-D875 PolarHBondContact O-N 3.44Å; A871-D875 VanDerWaalsContact O-N 3.14Å
872T72.1Confident74.3Confident47 Ų4776.3 Ų76.329%0.28841%0.412SS..Hα-helixtrans-66.2-39.2176.632.30000112.8P863 K868 K869 W874 D875 Q876P863-T872 PolarHBondContact O-OG1 3.45Å; K868-T872 PolarHBondContact O-N 3.37Å; K868-T872 PolarHBondContact O-OG1 3.37Å; K869-T872 WeakPolarHBondContact CA-OG1 3.48Å; K869-T872 PolarHBondContact O-OG1 3.36Å; K869-T872 VanDerWaalsContact O-OG1 3.06Å; T872-W874 VanDerWaalsContact C-N 3.33Å; T872-D875 PolarHBondContact O-N 3.43Å; T872-Q876 WeakPolarHBondContact O-CB 3.24Å; T872-Q876 WeakPolarHBondContact O-CG 3.32Å; T872-Q876 PolarHBondContact O-N 3.43Å
873W79.9Confident74.8Confident19 Ų1976.3 Ų76.37%0.07241%0.411CS..Hα-helixtrans-61.8-42.8173.3176.685.8000111.6I855 I859 K869 V870 D875 Q876 Y877 G880I855-W873 HydrophobicContact CG2-CH2 4.26Å; I855-W873 HydrophobicContact CG2-CZ2 4.04Å; I859-W873 HydrophobicContact CG1-CB 4.49Å; I859-W873 HydrophobicContact CG1-CD2 3.99Å; I859-W873 HydrophobicContact CG1-CE3 4.39Å; I859-W873 HydrophobicContact CG1-CG 4.01Å; K869-W873 WeakPolarHBondContact O-CB 3.43Å; K869-W873 PolarHBondContact O-N 3.36Å; V870-W873 PolarHBondContact O-N 3.46Å; W873-D875 VanDerWaalsContact C-N 3.26Å; W873-D875 PolarHBondContact O-N 3.12Å; W873-Q876 PolarHBondContact O-N 3.38Å; W873-Y877 PolarHBondContact O-N 3.08Å; W873-Y877 VanDerWaalsContact O-N 3.15Å; W873-G880 WeakPolarHBondContact CH2-O 3.34Å
874W80Confident75.7Confident105 Ų10576.2 Ų76.240%0.39841%0.406SS..Hα-helixtrans-60.8-33.4178.7-173.2-90.1000113.5V870 A871 T872 R881 L884V870-W874 WeakPolarHBondContact O-CB 3.25Å; V870-W874 PolarHBondContact O-N 2.96Å; A871-W874 WeakPolarHBondContact O-CB 3.44Å; A871-W874 PolarHBondContact O-N 3.17Å; T872-W874 VanDerWaalsContact C-N 3.33Å; W874-R881 HydrophobicContact CD2-CG 4.36Å; W874-R881 VanDerWaalsContact CE2-NE 3.33Å; W874-R881 HydrophobicContact CH2-CG 4.02Å; W874-R881 HydrophobicContact CZ2-CG 3.8Å; W874-R881 HydrophobicContact CZ3-CG 4.39Å; W874-R881 VanDerWaalsContact NE1-NE 3.11Å; W874-R881 PolarHBondContact O-NH2 2.69Å; W874-L884 HydrophobicContact CH2-CD2 4.41Å; W874-L884 HydrophobicContact CZ3-CD2 3.81Å
875D71Confident76.9Confident117 Ų11779.6 Ų79.663%0.62641%0.41SS*.Hα-helixtrans-88-34.2-179.5-71.9-17000113A871 T872 W873A871-D875 PolarHBondContact O-N 3.44Å; A871-D875 VanDerWaalsContact O-N 3.14Å; T872-D875 PolarHBondContact O-N 3.43Å; W873-D875 VanDerWaalsContact C-N 3.26Å; W873-D875 PolarHBondContact O-N 3.12Å
876Q70.1Confident78Confident134 Ų13473.5 Ų73.563%0.62637%0.373SS*.Hα-helixtrans-78.4-37.5-177.2-77.6-176.4-16.400113.8T872 W873T872-Q876 WeakPolarHBondContact O-CB 3.24Å; T872-Q876 WeakPolarHBondContact O-CG 3.32Å; T872-Q876 PolarHBondContact O-N 3.43Å; W873-Q876 PolarHBondContact O-N 3.38Å
877Y70.4Confident78.8Confident101 Ų10171.8 Ų71.840%0.39635%0.352SS..  trans-104.493-173.7-155.4-108000110.3W873 W879 G880 E883W873-Y877 PolarHBondContact O-N 3.08Å; W873-Y877 VanDerWaalsContact O-N 3.15Å; Y877-W879 HydrophobicContact CD1-CB 4.26Å; Y877-W879 HydrophobicContact CE1-CB 3.87Å; Y877-W879 PolarHBondContact O-N 2.67Å; Y877-G880 VanDerWaalsContact CD1-N 3.27Å; Y877-G880 WeakPolarHBondContact O-CA 3.26Å; Y877-G880 PolarHBondContact O-N 2.89Å; Y877-E883 WeakPolarHBondContact CE1-OE1 3.45Å
878E71Confident79.6Confident110 Ų11071.3 Ų71.351%0.51434%0.343SS..THydrogen-bonded Turntrans-56.9-36-175.3-58.6-165.4132.600112.9G880 R940E878-G880 VanDerWaalsContact C-N 3.28Å; E878-G880 PolarHBondContact O-N 2.97Å; E878-R940 IonicContact OE1-CZ 3.43Å; E878-R940 IonicContact OE1-NH1 2.68Å; E878-R940 PolarHBondContact OE1-NH1 3.14Å; E878-R940 IonicContact OE1-NH2 3.8Å; E878-R940 IonicContact OE2-NH1 2.77Å; E878-R940 PolarHBondContact OE2-NH1 3.18Å
879W78.8Confident80.6Confident76 Ų7664.9 Ų64.929%0.28832%0.316SS..THydrogen-bonded Turntrans-75.1-15.7176.5-66.392.9000113Y877 R881 S882 E883 L936Y877-W879 HydrophobicContact CD1-CB 4.26Å; Y877-W879 HydrophobicContact CE1-CB 3.87Å; Y877-W879 PolarHBondContact O-N 2.67Å; W879-R881 PolarHBondContact O-N 3.41Å; W879-R881 VanDerWaalsContact O-N 3.08Å; W879-S882 PolarHBondContact O-N 3.21Å; W879-S882 PolarHBondContact O-OG 3.04Å; W879-E883 WeakPolarHBondContact O-CG 3.24Å; W879-E883 PolarHBondContact O-N 3.02Å; W879-L936 HydrophobicContact CZ2-CD2 3.94Å
880G80Confident81.2Confident1 Ų162.2 Ų62.21%0.0131%0.305CS..Hα-helixtrans-57.9-31.6-176.800000112.9W873 Y877 E878 E883 L884W873-G880 WeakPolarHBondContact CH2-O 3.34Å; Y877-G880 VanDerWaalsContact CD1-N 3.27Å; Y877-G880 WeakPolarHBondContact O-CA 3.26Å; Y877-G880 PolarHBondContact O-N 2.89Å; E878-G880 VanDerWaalsContact C-N 3.28Å; E878-G880 PolarHBondContact O-N 2.97Å; G880-E883 PolarHBondContact O-N 3.01Å; G880-L884 WeakPolarHBondContact O-CB 3.3Å; G880-L884 PolarHBondContact O-N 3.24Å
881R82.2Confident81.9Confident102 Ų10261.2 Ų61.239%0.38530%0.297SS..Hα-helixtrans-66.1-42.1174.7-58.9-172.9-169.8104.95.9112.4W874 W879 F885W874-R881 HydrophobicContact CD2-CG 4.36Å; W874-R881 VanDerWaalsContact CE2-NE 3.33Å; W874-R881 HydrophobicContact CH2-CG 4.02Å; W874-R881 HydrophobicContact CZ2-CG 3.8Å; W874-R881 HydrophobicContact CZ3-CG 4.39Å; W874-R881 VanDerWaalsContact NE1-NE 3.11Å; W874-R881 PolarHBondContact O-NH2 2.69Å; W879-R881 PolarHBondContact O-N 3.41Å; W879-R881 VanDerWaalsContact O-N 3.08Å; R881-F885 PolarHBondContact O-N 3.43Å; R881-F885 VanDerWaalsContact O-N 3.07Å
882S82.7Confident82.7Confident42 Ų4262.1 Ų62.129%0.29429%0.293SS..Hα-helixtrans-72.9-33.4177.666.90000111.5W879 F885 V886W879-S882 PolarHBondContact O-N 3.21Å; W879-S882 PolarHBondContact O-OG 3.04Å; S882-F885 PolarHBondContact O-N 3.04Å; S882-V886 VanDerWaalsContact O-CG2 3.29Å; S882-V886 WeakPolarHBondContact O-CG2 3.33Å; S882-V886 PolarHBondContact O-N 3.14Å
883E83.9Confident83.5Confident8 Ų859.9 Ų59.94%0.03728%0.28CS..Hα-helixtrans-63.9-43.5173.5-58.4-167.7173.400112.1I855 Y877 W879 G880 F885 V886 I887 R921I855-E883 HydrophobicContact CD1-CB 3.96Å; Y877-E883 WeakPolarHBondContact CE1-OE1 3.45Å; W879-E883 WeakPolarHBondContact O-CG 3.24Å; W879-E883 PolarHBondContact O-N 3.02Å; G880-E883 PolarHBondContact O-N 3.01Å; E883-F885 VanDerWaalsContact C-N 3.31Å; E883-F885 PolarHBondContact O-N 3.28Å; E883-V886 PolarHBondContact O-N 3.02Å; E883-I887 WeakPolarHBondContact O-CG1 3.26Å; E883-I887 PolarHBondContact O-N 3.15Å; E883-R921 VanDerWaalsContact CG-CZ 3.4Å; E883-R921 IonicContact OE1-CZ 3.28Å; E883-R921 VanDerWaalsContact OE1-CZ 3.24Å; E883-R921 IonicContact OE1-NE 3.76Å; E883-R921 IonicContact OE1-NH2 3.57Å; E883-R921 PolarHBondContact OE1-NH2 2.95Å; E883-R921 IonicContact OE2-NH2 3.31Å; E883-R921 PolarHBondContact OE2-NH2 3.01Å
884L87.1Confident83.9Confident65 Ų6560.1 Ų60.134%0.3428%0.282SS..Hα-helixtrans-62.5-40.4174.7-173.968000111.5W874 G880 I887 L888W874-L884 HydrophobicContact CH2-CD2 4.41Å; W874-L884 HydrophobicContact CZ3-CD2 3.81Å; G880-L884 WeakPolarHBondContact O-CB 3.3Å; G880-L884 PolarHBondContact O-N 3.24Å; L884-I887 PolarHBondContact O-N 3.35Å; L884-L888 HydrophobicContact CG-CD1 4.2Å; L884-L888 PolarHBondContact O-N 3.04Å
885F89.6Confident84.3Confident110 Ų11061.7 Ų61.748%0.48229%0.292SS..Hα-helixtrans-63.5-43.9176.7-177.5-109.5000112.5R881 S882 E883 I887 L888 L889 T917R881-F885 PolarHBondContact O-N 3.43Å; R881-F885 VanDerWaalsContact O-N 3.07Å; S882-F885 PolarHBondContact O-N 3.04Å; E883-F885 VanDerWaalsContact C-N 3.31Å; E883-F885 PolarHBondContact O-N 3.28Å; F885-I887 VanDerWaalsContact C-N 3.29Å; F885-I887 PolarHBondContact O-N 3.28Å; F885-L888 PolarHBondContact O-N 3Å; F885-L889 HydrophobicContact CD1-CD1 3.99Å; F885-L889 HydrophobicContact CE1-CD1 3.45Å; F885-L889 VanDerWaalsContact CE1-CD1 3.45Å; F885-L889 HydrophobicContact CE1-CG 4.25Å; F885-L889 HydrophobicContact CE2-CD1 4.43Å; F885-L889 HydrophobicContact CE2-CG 4.43Å; F885-L889 HydrophobicContact CZ-CD1 3.7Å; F885-L889 HydrophobicContact CZ-CD2 4.43Å; F885-L889 HydrophobicContact CZ-CG 4.14Å; F885-L889 PolarHBondContact O-N 2.9Å; F885-T917 HydrophobicContact CD1-CG2 4.23Å; F885-T917 HydrophobicContact CE1-CG2 3.86Å
886V90.4Very high85.1Confident3 Ų358.1 Ų58.12%0.01827%0.273CS..Hα-helixtrans-58.7-43.2174.5170.40000110.6F848 M851 S882 E883 L889 A890 T914F848-V886 HydrophobicContact CE1-CG1 4.23Å; M851-V886 HydrophobicContact CE-CG1 4.2Å; S882-V886 VanDerWaalsContact O-CG2 3.29Å; S882-V886 WeakPolarHBondContact O-CG2 3.33Å; S882-V886 PolarHBondContact O-N 3.14Å; E883-V886 PolarHBondContact O-N 3.02Å; V886-L889 PolarHBondContact O-N 3.07Å; V886-A890 VanDerWaalsContact O-CB 3.3Å; V886-A890 WeakPolarHBondContact O-CB 3.44Å; V886-A890 PolarHBondContact O-N 3.19Å; V886-T914 HydrophobicContact CG1-CG2 4.37Å
887I89.7Confident85.8Confident12 Ų1251.8 Ų51.86%0.06224%0.243CC..Hα-helixtrans-67-40.5179-74.3169.2000111.8I852 I855 E883 L884 F885 A890 L891I852-I887 HydrophobicContact CD1-CG2 4.03Å; I852-I887 HydrophobicContact CG1-CD1 4.08Å; I852-I887 HydrophobicContact CG1-CG1 4.29Å; I852-I887 HydrophobicContact CG1-CG2 3.64Å; I855-I887 HydrophobicContact CD1-CD1 3.23Å; I855-I887 HydrophobicContact CG1-CD1 4.09Å; E883-I887 WeakPolarHBondContact O-CG1 3.26Å; E883-I887 PolarHBondContact O-N 3.15Å; L884-I887 PolarHBondContact O-N 3.35Å; F885-I887 VanDerWaalsContact C-N 3.29Å; F885-I887 PolarHBondContact O-N 3.28Å; I887-A890 PolarHBondContact O-N 3.15Å; I887-L891 HydrophobicContact CG2-CD1 3.78Å; I887-L891 HydrophobicContact CG2-CG 4.21Å; I887-L891 WeakPolarHBondContact O-CB 3.49Å; I887-L891 VanDerWaalsContact O-CG 3.3Å; I887-L891 WeakPolarHBondContact O-CG 3.47Å; I887-L891 PolarHBondContact O-N 3.21Å
888L92Very high86.5Confident103 Ų10352.6 Ų52.654%0.53925%0.253SS..Hα-helixtrans-59.8-45.9175.2-86156000111.4L884 F885 L891 L892L884-L888 HydrophobicContact CG-CD1 4.2Å; L884-L888 PolarHBondContact O-N 3.04Å; F885-L888 PolarHBondContact O-N 3Å; L888-L891 PolarHBondContact O-N 3.48Å; L888-L892 WeakPolarHBondContact O-CB 3.35Å; L888-L892 PolarHBondContact O-N 3.14Å
889L92Very high86.8Confident21 Ų2149 Ų4911%0.1125%0.246CC..Hα-helixtrans-64.6-40.3175.2-70.8177.1000112.2F885 V886 L892 S893 F910 T914 T917F885-L889 HydrophobicContact CD1-CD1 3.99Å; F885-L889 HydrophobicContact CE1-CD1 3.45Å; F885-L889 VanDerWaalsContact CE1-CD1 3.45Å; F885-L889 HydrophobicContact CE1-CG 4.25Å; F885-L889 HydrophobicContact CE2-CD1 4.43Å; F885-L889 HydrophobicContact CE2-CG 4.43Å; F885-L889 HydrophobicContact CZ-CD1 3.7Å; F885-L889 HydrophobicContact CZ-CD2 4.43Å; F885-L889 HydrophobicContact CZ-CG 4.14Å; F885-L889 PolarHBondContact O-N 2.9Å; V886-L889 PolarHBondContact O-N 3.07Å; L889-L892 PolarHBondContact O-N 3.37Å; L889-S893 WeakPolarHBondContact O-CB 3.48Å; L889-S893 PolarHBondContact O-N 3.12Å; L889-S893 PolarHBondContact O-OG 2.78Å; L889-F910 HydrophobicContact CD2-CD1 4.18Å; L889-F910 HydrophobicContact CD2-CE1 4.43Å; L889-T914 WeakPolarHBondContact CB-OG1 3.33Å; L889-T917 HydrophobicContact CD1-CG2 3.98Å
890A89.7Confident86.6Confident1 Ų148.8 Ų48.81%0.00825%0.25CC..Hα-helixtrans-66-43.5177.900000111.7F848 V886 I887 S893 M894 T914F848-A890 HydrophobicContact CB-CB 4.31Å; F848-A890 HydrophobicContact CD1-CB 3.64Å; F848-A890 HydrophobicContact CD2-CB 3.95Å; F848-A890 HydrophobicContact CE1-CB 3.85Å; F848-A890 HydrophobicContact CE2-CB 4.12Å; F848-A890 HydrophobicContact CG-CB 3.71Å; F848-A890 HydrophobicContact CZ-CB 4.09Å; V886-A890 VanDerWaalsContact O-CB 3.3Å; V886-A890 WeakPolarHBondContact O-CB 3.44Å; V886-A890 PolarHBondContact O-N 3.19Å; I887-A890 PolarHBondContact O-N 3.15Å; A890-S893 WeakPolarHBondContact O-CB 3.44Å; A890-S893 PolarHBondContact O-N 2.83Å; A890-M894 VanDerWaalsContact O-CG 3.3Å; A890-M894 WeakPolarHBondContact O-CG 3.43Å; A890-M894 PolarHBondContact O-N 3.41Å; A890-T914 HydrophobicContact CB-CG2 3.99Å
891L91.8Very high86.3Confident54 Ų5454.3 Ų54.328%0.28328%0.275SS..Hα-helixtrans-60.7-47.6174.7-77.2169.3000110.4I852 I887 L888 S893 M894 F895I852-L891 HydrophobicContact CD1-CD1 4.37Å; I852-L891 HydrophobicContact CD1-CD2 3.92Å; I852-L891 HydrophobicContact CD1-CG 4.24Å; I887-L891 HydrophobicContact CG2-CD1 3.78Å; I887-L891 HydrophobicContact CG2-CG 4.21Å; I887-L891 WeakPolarHBondContact O-CB 3.49Å; I887-L891 VanDerWaalsContact O-CG 3.3Å; I887-L891 WeakPolarHBondContact O-CG 3.47Å; I887-L891 PolarHBondContact O-N 3.21Å; L888-L891 PolarHBondContact O-N 3.48Å; L891-S893 VanDerWaalsContact C-N 3.31Å; L891-S893 PolarHBondContact O-N 2.78Å; L891-M894 HydrophobicContact CD2-CE 3.77Å; L891-M894 HydrophobicContact CG-CE 4.29Å; L891-M894 PolarHBondContact O-N 3.16Å; L891-F895 HydrophobicContact CB-CD2 4.31Å; L891-F895 HydrophobicContact CB-CE2 4.17Å; L891-F895 HydrophobicContact CD2-CE2 4.28Å; L891-F895 WeakPolarHBondContact O-CD2 3.44Å; L891-F895 PolarHBondContact O-N 3.39Å
892L92.2Very high86.1Confident73 Ų7355.2 Ų55.238%0.38229%0.292SS..Hα-helixtrans-59.9-42176.7-176.161.8000111.9L888 L889 F895 L896 F910L888-L892 WeakPolarHBondContact O-CB 3.35Å; L888-L892 PolarHBondContact O-N 3.14Å; L889-L892 PolarHBondContact O-N 3.37Å; L892-F895 PolarHBondContact O-N 3.15Å; L892-L896 HydrophobicContact CD1-CD1 4.2Å; L892-L896 HydrophobicContact CD1-CG 4.31Å; L892-L896 HydrophobicContact CG-CD1 4.07Å; L892-L896 WeakPolarHBondContact O-CB 3.38Å; L892-L896 VanDerWaalsContact O-CG 3.31Å; L892-L896 WeakPolarHBondContact O-CG 3.03Å; L892-L896 PolarHBondContact O-N 3.24Å; L892-F910 HydrophobicContact CD2-CD1 3.75Å; L892-F910 HydrophobicContact CD2-CD2 4.47Å; L892-F910 HydrophobicContact CD2-CE1 3.38Å; L892-F910 HydrophobicContact CD2-CE2 4.17Å; L892-F910 HydrophobicContact CD2-CG 4.3Å; L892-F910 HydrophobicContact CD2-CZ 3.61Å; L892-F910 HydrophobicContact CG-CD1 4.38Å; L892-F910 HydrophobicContact CG-CE1 4.38Å
893S89.1Confident86.2Confident0 Ų054.7 Ų54.70%029%0.287CS..Hα-helixtrans-59.5-47.2174.2-530000111.3L889 A890 L891 L896 R897 F910 Y911 T914L889-S893 WeakPolarHBondContact O-CB 3.48Å; L889-S893 PolarHBondContact O-N 3.12Å; L889-S893 PolarHBondContact O-OG 2.78Å; A890-S893 WeakPolarHBondContact O-CB 3.44Å; A890-S893 PolarHBondContact O-N 2.83Å; L891-S893 VanDerWaalsContact C-N 3.31Å; L891-S893 PolarHBondContact O-N 2.78Å; S893-L896 PolarHBondContact O-N 3.38Å; S893-R897 VanDerWaalsContact O-CB 3.26Å; S893-R897 WeakPolarHBondContact O-CB 3.49Å; S893-R897 PolarHBondContact O-N 3.31Å; S893-F910 VanDerWaalsContact OG-CB 3.29Å; S893-F910 WeakPolarHBondContact OG-CB 3.5Å; S893-F910 PolarHBondContact OG-O 2.96Å; S893-Y911 PolarHBondContact OG-N 3.08Å; S893-T914 PolarHBondContact OG-OG1 3.49Å
894M87.9Confident86.3Confident24 Ų2455.6 Ų55.612%0.11829%0.291CS..Hα-helixtrans-65.2-41.9178.8-70.8-174.1-63.800112.3M845 F848 A890 L891 R897 I898M845-M894 HydrophobicContact CB-SD 3.83Å; M845-M894 HydrophobicContact CE-CG 4.46Å; M845-M894 HydrophobicContact CG-CG 3.96Å; M845-M894 HydrophobicContact CG-SD 3.83Å; F848-M894 HydrophobicContact CB-CE 4.32Å; A890-M894 VanDerWaalsContact O-CG 3.3Å; A890-M894 WeakPolarHBondContact O-CG 3.43Å; A890-M894 PolarHBondContact O-N 3.41Å; L891-M894 HydrophobicContact CD2-CE 3.77Å; L891-M894 HydrophobicContact CG-CE 4.29Å; L891-M894 PolarHBondContact O-N 3.16Å; M894-R897 WeakPolarHBondContact O-CB 3.2Å; M894-R897 PolarHBondContact O-N 2.83Å; M894-I898 WeakPolarHBondContact O-CG1 3.5Å; M894-I898 PolarHBondContact O-N 3.21Å
895F89Confident86.3Confident139 Ų13958.6 Ų58.661%0.6131%0.306SS*.Hα-helixtrans-64.4-46176.9-78.4-62.5000111.8L891 L892 R897 I898L891-F895 HydrophobicContact CB-CD2 4.31Å; L891-F895 HydrophobicContact CB-CE2 4.17Å; L891-F895 HydrophobicContact CD2-CE2 4.28Å; L891-F895 WeakPolarHBondContact O-CD2 3.44Å; L891-F895 PolarHBondContact O-N 3.39Å; L892-F895 PolarHBondContact O-N 3.15Å; F895-R897 PolarHBondContact O-N 3.42Å; F895-I898 HydrophobicContact CD1-CD1 4.37Å; F895-I898 PolarHBondContact O-N 3.19Å
896L88.1Confident86.2Confident42 Ų4260.7 Ų60.722%0.2231%0.312CS..Hα-helixtrans-64.2-31.1176-71.8171.7000111.6L892 S893 I898 G899 T903 F910L892-L896 HydrophobicContact CD1-CD1 4.2Å; L892-L896 HydrophobicContact CD1-CG 4.31Å; L892-L896 HydrophobicContact CG-CD1 4.07Å; L892-L896 WeakPolarHBondContact O-CB 3.38Å; L892-L896 VanDerWaalsContact O-CG 3.31Å; L892-L896 WeakPolarHBondContact O-CG 3.03Å; L892-L896 PolarHBondContact O-N 3.24Å; S893-L896 PolarHBondContact O-N 3.38Å; L896-I898 VanDerWaalsContact C-N 3.3Å; L896-I898 PolarHBondContact O-N 2.98Å; L896-G899 PolarHBondContact O-N 3.49Å; L896-T903 HydrophobicContact CD2-CG2 4.32Å; L896-T903 WeakPolarHBondContact O-CB 3.23Å; L896-T903 PolarHBondContact O-OG1 3.02Å; L896-F910 HydrophobicContact CD1-CD2 3.36Å; L896-F910 HydrophobicContact CD1-CE2 3.66Å; L896-F910 HydrophobicContact CD1-CG 4.27Å
897R85.4Confident86.1Confident1 Ų160.7 Ų60.70%0.00431%0.312CS..Hα-helixtrans-67-29.1179.1-175.158.7174.2111.51.2113.5L833 E836 E841 M845 S893 M894 F895 G899 L900 Y911L833-R897 PolarHBondContact O-NH2 3.41Å; E836-R897 PolarHBondContact O-NH2 3.46Å; E841-R897 VanDerWaalsContact CD-NE 3.34Å; E841-R897 VanDerWaalsContact OE1-CD 3.3Å; E841-R897 WeakPolarHBondContact OE1-CD 3.4Å; E841-R897 WeakPolarHBondContact OE1-CG 3.44Å; E841-R897 IonicContact OE1-CZ 3.41Å; E841-R897 IonicContact OE1-NE 3.15Å; E841-R897 PolarHBondContact OE1-NE 3.41Å; E841-R897 IonicContact OE1-NH2 2.78Å; E841-R897 IonicContact OE2-CZ 3.6Å; E841-R897 IonicContact OE2-NE 3.79Å; E841-R897 PolarHBondContact OE2-NE 3.06Å; E841-R897 VanDerWaalsContact OE2-NE 3.14Å; E841-R897 IonicContact OE2-NH2 3.58Å; E841-R897 PolarHBondContact OE2-NH2 2.89Å; M845-R897 HydrophobicContact CE-CB 4.23Å; M845-R897 HydrophobicContact CE-CG 3.76Å; S893-R897 VanDerWaalsContact O-CB 3.26Å; S893-R897 WeakPolarHBondContact O-CB 3.49Å; S893-R897 PolarHBondContact O-N 3.31Å; M894-R897 WeakPolarHBondContact O-CB 3.2Å; M894-R897 PolarHBondContact O-N 2.83Å; F895-R897 PolarHBondContact O-N 3.42Å; R897-G899 PolarHBondContact O-N 3.39Å; R897-L900 PolarHBondContact O-N 2.73Å; R897-L900 VanDerWaalsContact O-N 3.11Å; R897-Y911 HydrophobicContact CB-CE2 4.42Å; R897-Y911 HydrophobicContact CG-CE2 4.47Å
898I83.6Confident86.1Confident117 Ų11763.7 Ų63.760%0.632%0.324SS*.Hα-helixtrans-61.5-27.9176.8-63.6165.7000111.6M894 F895 L896 L900M894-I898 WeakPolarHBondContact O-CG1 3.5Å; M894-I898 PolarHBondContact O-N 3.21Å; F895-I898 HydrophobicContact CD1-CD1 4.37Å; F895-I898 PolarHBondContact O-N 3.19Å; L896-I898 VanDerWaalsContact C-N 3.3Å; L896-I898 PolarHBondContact O-N 2.98Å; I898-L900 PolarHBondContact O-N 3.05Å
899G77.4Confident86.1Confident36 Ų3662.3 Ų62.337%0.37132%0.321SS..THydrogen-bonded Turntrans-71.7-1176.600000115.4L896 R897 E901 T902 T903L896-G899 PolarHBondContact O-N 3.49Å; R897-G899 PolarHBondContact O-N 3.39Å; G899-E901 PolarHBondContact O-N 3.37Å; G899-T902 PolarHBondContact O-N 3.25Å; G899-T902 PolarHBondContact O-OG1 3.11Å; G899-T903 WeakPolarHBondContact CA-OG1 3.29Å
900L74.6Confident86.1Confident70 Ų7064 Ų6437%0.36633%0.327SS..THydrogen-bonded Turntrans48.3-105.1177.9-70.8128.5000112.6N835 R897 I898 F904N835-L900 VanDerWaalsContact O-CD2 3.24Å; N835-L900 WeakPolarHBondContact O-CD2 3.43Å; R897-L900 PolarHBondContact O-N 2.73Å; R897-L900 VanDerWaalsContact O-N 3.11Å; I898-L900 PolarHBondContact O-N 3.05Å; L900-F904 WeakPolarHBondContact O-CB 3.43Å; L900-F904 PolarHBondContact O-N 2.89Å
901E73.6Confident86.2Confident118 Ų11864.2 Ų64.255%0.55133%0.328SS*.THydrogen-bonded Turntrans-72.5-38.3-167-67.9-173.3161.600113.8N835 G899 T903N835-E901 PolarHBondContact ND2-OE1 3.33Å; N835-E901 PolarHBondContact OD1-OE1 3.5Å; G899-E901 PolarHBondContact O-N 3.37Å; E901-T903 PolarHBondContact O-N 3.33Å
902T78.6Confident86.2Confident121 Ų12164.8 Ų64.874%0.74233%0.333SS*.THydrogen-bonded Turntrans-74.6-27.7-172.356.80000113G899G899-T902 PolarHBondContact O-N 3.25Å; G899-T902 PolarHBondContact O-OG1 3.11Å
903T84.6Confident86.3Confident30 Ų3064.9 Ų64.918%0.18433%0.334CS..THydrogen-bonded Turntrans-114.55.8-173.548.30000113.3L896 G899 E901 I905 Y906 S907L896-T903 HydrophobicContact CD2-CG2 4.32Å; L896-T903 WeakPolarHBondContact O-CB 3.23Å; L896-T903 PolarHBondContact O-OG1 3.02Å; G899-T903 WeakPolarHBondContact CA-OG1 3.29Å; E901-T903 PolarHBondContact O-N 3.33Å; T903-I905 PolarHBondContact O-N 2.95Å; T903-Y906 PolarHBondContact O-N 3.33Å; T903-S907 WeakPolarHBondContact O-CB 3.44Å; T903-S907 PolarHBondContact O-N 3.24Å
904F85.9Confident86.4Confident27 Ų2764.9 Ų64.912%0.11833%0.334CS..Hα-helixtrans-55.6-49.4-173.2-178-109.8000113.1Q834 L900 Y906 S907 K908Q834-F904 HydrophobicContact CB-CD1 4.31Å; Q834-F904 HydrophobicContact CB-CD2 4.48Å; Q834-F904 HydrophobicContact CB-CE1 4.31Å; Q834-F904 HydrophobicContact CB-CE2 4.49Å; Q834-F904 HydrophobicContact CB-CG 4.39Å; Q834-F904 HydrophobicContact CB-CZ 4.39Å; Q834-F904 HydrophobicContact CG-CB 4.19Å; Q834-F904 HydrophobicContact CG-CD1 3.99Å; Q834-F904 HydrophobicContact CG-CD2 4.39Å; Q834-F904 HydrophobicContact CG-CE1 4.48Å; Q834-F904 HydrophobicContact CG-CG 3.93Å; L900-F904 WeakPolarHBondContact O-CB 3.43Å; L900-F904 PolarHBondContact O-N 2.89Å; F904-Y906 PolarHBondContact O-N 3.34Å; F904-S907 PolarHBondContact O-N 2.85Å; F904-S907 PolarHBondContact O-OG 3.35Å; F904-K908 HydrophobicContact CE1-CD 4.4Å; F904-K908 HydrophobicContact CZ-CD 4.37Å; F904-K908 PolarHBondContact O-N 3.41Å
905I86.7Confident86.7Confident129 Ų12964.9 Ų64.966%0.66233%0.334SS*.Hα-helixtrans-59.4-48.3-178.7-62.1173.3000110.3T903 S907 K908 T909T903-I905 PolarHBondContact O-N 2.95Å; I905-S907 PolarHBondContact O-N 3.05Å; I905-K908 PolarHBondContact O-N 2.93Å; I905-T909 PolarHBondContact O-N 3.44Å; I905-T909 PolarHBondContact O-OG1 3.27Å
906Y89Confident86.9Confident154 Ų15462.5 Ų62.560%0.60433%0.327SS*.Hα-helixtrans-62.5-44.1177.9-60.3-69000111.8T903 F904 K908 T909 F910T903-Y906 PolarHBondContact O-N 3.33Å; F904-Y906 PolarHBondContact O-N 3.34Å; Y906-K908 VanDerWaalsContact C-N 3.3Å; Y906-K908 PolarHBondContact O-N 3.28Å; Y906-T909 WeakPolarHBondContact O-CB 3.47Å; Y906-T909 PolarHBondContact O-N 2.99Å; Y906-F910 VanDerWaalsContact O-CD2 3.25Å; Y906-F910 WeakPolarHBondContact O-CD2 3.3Å; Y906-F910 PolarHBondContact O-N 3.34Å
907S88.4Confident87Confident2 Ų261.8 Ų61.81%0.01432%0.324CS..Hα-helixtrans-59.6-41.4177.376.90000111.6T903 F904 I905 F910 Y911T903-S907 WeakPolarHBondContact O-CB 3.44Å; T903-S907 PolarHBondContact O-N 3.24Å; F904-S907 PolarHBondContact O-N 2.85Å; F904-S907 PolarHBondContact O-OG 3.35Å; I905-S907 PolarHBondContact O-N 3.05Å; S907-F910 PolarHBondContact O-N 3.44Å; S907-Y911 WeakPolarHBondContact O-CD2 3.37Å; S907-Y911 PolarHBondContact O-N 3.16Å
908K89.6Confident87.3Confident75 Ų7561.7 Ų61.733%0.32632%0.324SS..Hα-helixtrans-66.4-40.7177-169164.7-176.7155.20111.4L828 T832 F904 I905 Y906 Y911 V912L828-K908 PolarHBondContact O-NZ 3.38Å; T832-K908 PolarHBondContact OG1-NZ 2.59Å; F904-K908 HydrophobicContact CE1-CD 4.4Å; F904-K908 HydrophobicContact CZ-CD 4.37Å; F904-K908 PolarHBondContact O-N 3.41Å; I905-K908 PolarHBondContact O-N 2.93Å; Y906-K908 VanDerWaalsContact C-N 3.3Å; Y906-K908 PolarHBondContact O-N 3.28Å; K908-Y911 PolarHBondContact O-N 3.46Å; K908-V912 WeakPolarHBondContact O-CG2 3.38Å; K908-V912 PolarHBondContact O-N 3.02Å
909T90.6Very high87.7Confident75 Ų7560.7 Ų60.746%0.4631%0.313SS..Hα-helixtrans-59.3-46.9173.4-53.20000111.6I905 Y906 Y911 V912 L913I905-T909 PolarHBondContact O-N 3.44Å; I905-T909 PolarHBondContact O-OG1 3.27Å; Y906-T909 WeakPolarHBondContact O-CB 3.47Å; Y906-T909 PolarHBondContact O-N 2.99Å; T909-Y911 PolarHBondContact O-N 2.86Å; T909-V912 PolarHBondContact O-N 3Å; T909-L913 WeakPolarHBondContact O-CG 3.32Å; T909-L913 PolarHBondContact O-N 3.23Å
910F92.2Very high88.2Confident57 Ų5763.4 Ų63.425%0.2532%0.318CS..Hα-helixtrans-67.3-34.8177.8-80.8-73.8000112.9L889 L892 S893 L896 Y906 S907 V912 L913 T914L889-F910 HydrophobicContact CD2-CD1 4.18Å; L889-F910 HydrophobicContact CD2-CE1 4.43Å; L892-F910 HydrophobicContact CD2-CD1 3.75Å; L892-F910 HydrophobicContact CD2-CD2 4.47Å; L892-F910 HydrophobicContact CD2-CE1 3.38Å; L892-F910 HydrophobicContact CD2-CE2 4.17Å; L892-F910 HydrophobicContact CD2-CG 4.3Å; L892-F910 HydrophobicContact CD2-CZ 3.61Å; L892-F910 HydrophobicContact CG-CD1 4.38Å; L892-F910 HydrophobicContact CG-CE1 4.38Å; S893-F910 VanDerWaalsContact OG-CB 3.29Å; S893-F910 WeakPolarHBondContact OG-CB 3.5Å; S893-F910 PolarHBondContact OG-O 2.96Å; L896-F910 HydrophobicContact CD1-CD2 3.36Å; L896-F910 HydrophobicContact CD1-CE2 3.66Å; L896-F910 HydrophobicContact CD1-CG 4.27Å; Y906-F910 VanDerWaalsContact O-CD2 3.25Å; Y906-F910 WeakPolarHBondContact O-CD2 3.3Å; Y906-F910 PolarHBondContact O-N 3.34Å; S907-F910 PolarHBondContact O-N 3.44Å; F910-V912 VanDerWaalsContact C-N 3.35Å; F910-L913 HydrophobicContact CD1-CD1 4.17Å; F910-L913 HydrophobicContact CE1-CD1 4.44Å; F910-L913 PolarHBondContact O-N 3.34Å; F910-T914 WeakPolarHBondContact O-CB 3.43Å; F910-T914 PolarHBondContact O-N 2.87Å; F910-T914 PolarHBondContact O-OG1 2.94Å
911Y91.4Very high88.8Confident5 Ų561.1 Ų61.12%0.0231%0.305CS..Hα-helixtrans-63.4-40171.6-88-52.4000112.5F824 L828 M845 S893 R897 S907 K908 T909 T914 L915F824-Y911 HydrophobicContact CE2-CD1 4.02Å; F824-Y911 AromaticContact CZ-CD1 3.98Å; F824-Y911 HydrophobicContact CZ-CD1 3.98Å; L828-Y911 HydrophobicContact CD2-CD2 4.33Å; L828-Y911 HydrophobicContact CD2-CG 3.97Å; M845-Y911 VanDerWaalsContact CE-OH 3.26Å; M845-Y911 WeakPolarHBondContact CE-OH 3.41Å; S893-Y911 PolarHBondContact OG-N 3.08Å; R897-Y911 HydrophobicContact CB-CE2 4.42Å; R897-Y911 HydrophobicContact CG-CE2 4.47Å; S907-Y911 WeakPolarHBondContact O-CD2 3.37Å; S907-Y911 PolarHBondContact O-N 3.16Å; K908-Y911 PolarHBondContact O-N 3.46Å; T909-Y911 PolarHBondContact O-N 2.86Å; Y911-T914 WeakPolarHBondContact O-CB 3.15Å; Y911-T914 PolarHBondContact O-N 3.36Å; Y911-L915 PolarHBondContact O-N 3.44Å
912V92.9Very high89.5Confident65 Ų6557.5 Ų57.539%0.39429%0.289SS..Hα-helixtrans-64.2-42.9175171.40000110.9K908 T909 F910 T914 L915 I916K908-V912 WeakPolarHBondContact O-CG2 3.38Å; K908-V912 PolarHBondContact O-N 3.02Å; T909-V912 PolarHBondContact O-N 3Å; F910-V912 VanDerWaalsContact C-N 3.35Å; V912-T914 VanDerWaalsContact C-N 3.3Å; V912-T914 PolarHBondContact O-N 2.96Å; V912-L915 WeakPolarHBondContact O-CB 3.44Å; V912-L915 PolarHBondContact O-N 3.2Å; V912-I916 HydrophobicContact CG1-CD1 4.13Å; V912-I916 WeakPolarHBondContact O-CG1 3.27Å; V912-I916 PolarHBondContact O-N 3.49Å
913L93Very high89.9Confident76 Ų7657.5 Ų57.540%0.39828%0.276SS..Hα-helixtrans-60.8-41.9173.7-68.7173.7000111.6T909 F910 L915 I916 T917T909-L913 WeakPolarHBondContact O-CG 3.32Å; T909-L913 PolarHBondContact O-N 3.23Å; F910-L913 HydrophobicContact CD1-CD1 4.17Å; F910-L913 HydrophobicContact CE1-CD1 4.44Å; F910-L913 PolarHBondContact O-N 3.34Å; L913-L915 VanDerWaalsContact C-N 3.34Å; L913-L915 PolarHBondContact O-N 2.96Å; L913-I916 PolarHBondContact O-N 3.2Å; L913-T917 WeakPolarHBondContact O-CG2 3.36Å; L913-T917 PolarHBondContact O-N 3.27Å; L913-T917 PolarHBondContact O-OG1 3.47Å
914T93.1Very high89.8Confident0 Ų056.8 Ų56.80%027%0.274CS..Hα-helixtrans-61.6-42.7174.9-540000110.8F824 F848 V886 L889 A890 S893 F910 Y911 V912 T917 C918F824-T914 HydrophobicContact CE1-CG2 4.34Å; F824-T914 HydrophobicContact CZ-CG2 4.46Å; F848-T914 HydrophobicContact CE1-CG2 4.09Å; F848-T914 HydrophobicContact CE2-CG2 4.39Å; F848-T914 HydrophobicContact CZ-CG2 3.64Å; V886-T914 HydrophobicContact CG1-CG2 4.37Å; L889-T914 WeakPolarHBondContact CB-OG1 3.33Å; A890-T914 HydrophobicContact CB-CG2 3.99Å; S893-T914 PolarHBondContact OG-OG1 3.49Å; F910-T914 WeakPolarHBondContact O-CB 3.43Å; F910-T914 PolarHBondContact O-N 2.87Å; F910-T914 PolarHBondContact O-OG1 2.94Å; Y911-T914 WeakPolarHBondContact O-CB 3.15Å; Y911-T914 PolarHBondContact O-N 3.36Å; V912-T914 VanDerWaalsContact C-N 3.3Å; V912-T914 PolarHBondContact O-N 2.96Å; T914-T917 WeakPolarHBondContact CA-OG1 3.5Å; T914-T917 PolarHBondContact O-N 3.45Å; T914-T917 PolarHBondContact O-OG1 2.87Å; T914-C918 PolarHBondContact O-N 3.25Å; T914-C918 PolarHBondContact O-SG 3.23Å
915L93.3Very high89.7Confident24 Ų2456.6 Ų56.613%0.12627%0.274CS..Hα-helixtrans-61.2-46.6176.3-178.669.4000111.9F824 L828 Y911 V912 L913 T917 C918 Y919F824-L915 HydrophobicContact CB-CD1 4.11Å; F824-L915 HydrophobicContact CD1-CB 4.21Å; F824-L915 HydrophobicContact CD1-CD1 3.32Å; F824-L915 HydrophobicContact CD1-CG 4.38Å; F824-L915 HydrophobicContact CE1-CB 3.78Å; F824-L915 HydrophobicContact CE1-CD1 3.82Å; F824-L915 HydrophobicContact CE1-CG 4.44Å; F824-L915 HydrophobicContact CG-CD1 3.77Å; F824-L915 HydrophobicContact CZ-CB 4.2Å; L828-L915 HydrophobicContact CD1-CB 4.03Å; L828-L915 HydrophobicContact CD1-CD2 3.99Å; L828-L915 HydrophobicContact CD1-CG 4.46Å; Y911-L915 PolarHBondContact O-N 3.44Å; V912-L915 WeakPolarHBondContact O-CB 3.44Å; V912-L915 PolarHBondContact O-N 3.2Å; L913-L915 VanDerWaalsContact C-N 3.34Å; L913-L915 PolarHBondContact O-N 2.96Å; L915-T917 VanDerWaalsContact C-N 3.34Å; L915-T917 PolarHBondContact O-N 2.83Å; L915-C918 WeakPolarHBondContact O-CB 3.07Å; L915-C918 PolarHBondContact O-N 2.99Å; L915-C918 VanDerWaalsContact O-N 3.16Å; L915-Y919 HydrophobicContact CD1-CD2 4.06Å; L915-Y919 HydrophobicContact CD1-CE2 3.7Å; L915-Y919 HydrophobicContact CD2-CE2 4.16Å; L915-Y919 HydrophobicContact CG-CD2 3.91Å; L915-Y919 HydrophobicContact CG-CE2 3.77Å; L915-Y919 WeakPolarHBondContact O-CD2 3.43Å; L915-Y919 PolarHBondContact O-N 3.27Å
916I92.7Very high89.6Confident89 Ų8955.1 Ų55.146%0.45626%0.261SS..Hα-helixtrans-58.3-47.4178.2-68.4166.1000110.5V912 L913 C918 Y919 I920V912-I916 HydrophobicContact CG1-CD1 4.13Å; V912-I916 WeakPolarHBondContact O-CG1 3.27Å; V912-I916 PolarHBondContact O-N 3.49Å; L913-I916 PolarHBondContact O-N 3.2Å; I916-C918 VanDerWaalsContact C-N 3.31Å; I916-C918 PolarHBondContact O-N 2.89Å; I916-Y919 WeakPolarHBondContact O-CB 3.33Å; I916-Y919 PolarHBondContact O-N 3.33Å; I916-Y919 VanDerWaalsContact O-N 3.14Å; I916-I920 HydrophobicContact CG2-CD1 4.25Å; I916-I920 WeakPolarHBondContact O-CG1 3.34Å; I916-I920 PolarHBondContact O-N 2.92Å
917T90.5Very high89.2Confident26 Ų2651.2 Ų51.216%0.1626%0.256CS..Hα-helixtrans-64.8-34.7178.356.60000112.5F885 L889 L913 T914 L915 I920 R921F885-T917 HydrophobicContact CD1-CG2 4.23Å; F885-T917 HydrophobicContact CE1-CG2 3.86Å; L889-T917 HydrophobicContact CD1-CG2 3.98Å; L913-T917 WeakPolarHBondContact O-CG2 3.36Å; L913-T917 PolarHBondContact O-N 3.27Å; L913-T917 PolarHBondContact O-OG1 3.47Å; T914-T917 WeakPolarHBondContact CA-OG1 3.5Å; T914-T917 PolarHBondContact O-N 3.45Å; T914-T917 PolarHBondContact O-OG1 2.87Å; L915-T917 VanDerWaalsContact C-N 3.34Å; L915-T917 PolarHBondContact O-N 2.83Å; T917-I920 PolarHBondContact O-N 3.13Å; T917-R921 PolarHBondContact O-N 3.3Å; T917-R921 VanDerWaalsContact O-N 3.15Å
918C91.5Very high88.9Confident0 Ų055.3 Ų55.30%027%0.272CS..Hα-helixtrans-66-36172.4-65.80000112.5Y817 L821 T914 L915 I916 R921Y817-C918 PolarHBondContact OH-O 3.28Å; L821-C918 HydrophobicContact CD2-CB 3.59Å; T914-C918 PolarHBondContact O-N 3.25Å; T914-C918 PolarHBondContact O-SG 3.23Å; L915-C918 WeakPolarHBondContact O-CB 3.07Å; L915-C918 PolarHBondContact O-N 2.99Å; L915-C918 VanDerWaalsContact O-N 3.16Å; I916-C918 VanDerWaalsContact C-N 3.31Å; I916-C918 PolarHBondContact O-N 2.89Å; C918-R921 WeakPolarHBondContact O-CB 3.41Å; C918-R921 PolarHBondContact O-N 2.88Å
919Y92.2Very high88.7Confident95 Ų9555 Ų5537%0.37327%0.271SS..Hα-helixtrans-66.4-42.4172.9-88.8-72.4000112.2L821 S825 L915 I916 R921 I922L821-Y919 HydrophobicContact CB-CE1 4.49Å; L821-Y919 HydrophobicContact CD1-CD1 4.2Å; L821-Y919 HydrophobicContact CD1-CE1 4.28Å; S825-Y919 PolarHBondContact OG-OH 3.05Å; L915-Y919 HydrophobicContact CD1-CD2 4.06Å; L915-Y919 HydrophobicContact CD1-CE2 3.7Å; L915-Y919 HydrophobicContact CD2-CE2 4.16Å; L915-Y919 HydrophobicContact CG-CD2 3.91Å; L915-Y919 HydrophobicContact CG-CE2 3.77Å; L915-Y919 WeakPolarHBondContact O-CD2 3.43Å; L915-Y919 PolarHBondContact O-N 3.27Å; I916-Y919 WeakPolarHBondContact O-CB 3.33Å; I916-Y919 PolarHBondContact O-N 3.33Å; I916-Y919 VanDerWaalsContact O-N 3.14Å; Y919-R921 PolarHBondContact O-N 3.43Å; Y919-I922 HydrophobicContact CD1-CD1 3.88Å; Y919-I922 HydrophobicContact CE1-CD1 4.42Å; Y919-I922 VanDerWaalsContact O-CB 3.28Å; Y919-I922 WeakPolarHBondContact O-CB 3.5Å; Y919-I922 WeakPolarHBondContact O-CG1 3.4Å; Y919-I922 PolarHBondContact O-N 3.42Å
920I89Confident88.2Confident93 Ų9356 Ų5648%0.47728%0.279SS..Hα-helixtrans-58.5-34.9175.4-66.8170.2000110.8I916 T917 I922 Y923I916-I920 HydrophobicContact CG2-CD1 4.25Å; I916-I920 WeakPolarHBondContact O-CG1 3.34Å; I916-I920 PolarHBondContact O-N 2.92Å; T917-I920 PolarHBondContact O-N 3.13Å; I920-I922 PolarHBondContact O-N 3.46Å; I920-I922 VanDerWaalsContact O-N 3.15Å; I920-Y923 HydrophobicContact CG2-CD2 4.34Å; I920-Y923 WeakPolarHBondContact O-CB 3.28Å; I920-Y923 WeakPolarHBondContact O-CD2 3.42Å; I920-Y923 PolarHBondContact O-N 2.58Å
921R87.1Confident87.8Confident23 Ų2358.7 Ų58.79%0.08730%0.296CS..THydrogen-bonded Turntrans-63.4-18177.6-175.7172.8179.3-177.4-7.5114Y813 M851 E883 T917 C918 Y919 Y923 G924Y813-R921 PolarHBondContact OH-NH2 2.99Å; M851-R921 PolarHBondContact SD-NH1 3.46Å; E883-R921 VanDerWaalsContact CG-CZ 3.4Å; E883-R921 IonicContact OE1-CZ 3.28Å; E883-R921 VanDerWaalsContact OE1-CZ 3.24Å; E883-R921 IonicContact OE1-NE 3.76Å; E883-R921 IonicContact OE1-NH2 3.57Å; E883-R921 PolarHBondContact OE1-NH2 2.95Å; E883-R921 IonicContact OE2-NH2 3.31Å; E883-R921 PolarHBondContact OE2-NH2 3.01Å; T917-R921 PolarHBondContact O-N 3.3Å; T917-R921 VanDerWaalsContact O-N 3.15Å; C918-R921 WeakPolarHBondContact O-CB 3.41Å; C918-R921 PolarHBondContact O-N 2.88Å; Y919-R921 PolarHBondContact O-N 3.43Å; R921-Y923 PolarHBondContact O-N 3.15Å; R921-G924 PolarHBondContact O-N 3.37Å
922I88.3Confident87.5Confident41 Ų4161.6 Ų61.621%0.2131%0.312CS..Hα-helixtrans-56-35.7170.8-65.8179.8000111Y817 L821 Y919 I920 G924 L925 Y926Y817-I922 HydrophobicContact CE1-CG1 4.09Å; L821-I922 HydrophobicContact CD1-CD1 3.47Å; L821-I922 VanDerWaalsContact CD1-CD1 3.47Å; L821-I922 HydrophobicContact CD1-CG1 3.61Å; Y919-I922 HydrophobicContact CD1-CD1 3.88Å; Y919-I922 HydrophobicContact CE1-CD1 4.42Å; Y919-I922 VanDerWaalsContact O-CB 3.28Å; Y919-I922 WeakPolarHBondContact O-CB 3.5Å; Y919-I922 WeakPolarHBondContact O-CG1 3.4Å; Y919-I922 PolarHBondContact O-N 3.42Å; I920-I922 PolarHBondContact O-N 3.46Å; I920-I922 VanDerWaalsContact O-N 3.15Å; I922-G924 PolarHBondContact O-N 3.01Å; I922-G924 VanDerWaalsContact O-N 3.14Å; I922-L925 VanDerWaalsContact O-CB 3.26Å; I922-L925 WeakPolarHBondContact O-CB 3.49Å; I922-L925 PolarHBondContact O-N 3.03Å; I922-Y926 HydrophobicContact CG2-CE1 4.09Å
923Y85.5Confident87.1Confident122 Ų12259 Ų5948%0.47830%0.298SS..Hα-helixtrans-59.2-28178.5-67.8-61.7000112.7I920 R921 L925 Y926 L936I920-Y923 HydrophobicContact CG2-CD2 4.34Å; I920-Y923 WeakPolarHBondContact O-CB 3.28Å; I920-Y923 WeakPolarHBondContact O-CD2 3.42Å; I920-Y923 PolarHBondContact O-N 2.58Å; R921-Y923 PolarHBondContact O-N 3.15Å; Y923-L925 PolarHBondContact O-N 3.42Å; Y923-Y926 AromaticContact CD1-CD2 3.73Å; Y923-Y926 HydrophobicContact CD1-CD2 3.73Å; Y923-Y926 AromaticContact CD1-CE2 3.54Å; Y923-Y926 HydrophobicContact CD1-CE2 3.54Å; Y923-Y926 HydrophobicContact CE1-CD2 4.43Å; Y923-Y926 AromaticContact CE1-CE2 3.86Å; Y923-Y926 HydrophobicContact CE1-CE2 3.86Å; Y923-Y926 WeakPolarHBondContact O-CB 3.22Å; Y923-Y926 PolarHBondContact O-N 3.01Å; Y923-L936 VanDerWaalsContact O-CD2 3.24Å; Y923-L936 WeakPolarHBondContact O-CD2 3.37Å
924G82.5Confident86.7Confident14 Ų1458.7 Ų58.714%0.14430%0.3CS..Hα-helixtrans-60-30.5173.100000113.1R921 I922 Y926 S927R921-G924 PolarHBondContact O-N 3.37Å; I922-G924 PolarHBondContact O-N 3.01Å; I922-G924 VanDerWaalsContact O-N 3.14Å; G924-Y926 VanDerWaalsContact C-N 3.28Å; G924-Y926 PolarHBondContact O-N 3.46Å; G924-S927 WeakPolarHBondContact O-CB 3.2Å; G924-S927 PolarHBondContact O-N 3.08Å; G924-S927 PolarHBondContact O-OG 2.93Å
925L83.9Confident86.2Confident24 Ų2464.3 Ų64.313%0.12633%0.325CS..Hα-helixtrans-72.6-20.7176.6-57.9172.6000112.7F810 Y813 T814 Y817 I922 Y923 S927F810-L925 HydrophobicContact CE2-CD2 3.95Å; F810-L925 HydrophobicContact CZ-CB 4.46Å; F810-L925 HydrophobicContact CZ-CD2 4.21Å; Y813-L925 HydrophobicContact CD1-CD2 4.08Å; Y813-L925 HydrophobicContact CE1-CD2 3.93Å; T814-L925 HydrophobicContact CG2-CD1 4.16Å; Y817-L925 HydrophobicContact CD1-CD1 4.23Å; I922-L925 VanDerWaalsContact O-CB 3.26Å; I922-L925 WeakPolarHBondContact O-CB 3.49Å; I922-L925 PolarHBondContact O-N 3.03Å; Y923-L925 PolarHBondContact O-N 3.42Å; L925-S927 PolarHBondContact O-N 2.86Å
926Y84.5Confident85.9Confident98 Ų9864.6 Ų64.638%0.38433%0.326SS..G310 helixtrans-72.4-18177.9-65.5-4.9000112.8I922 Y923 G924 Y928 H929 L932 G933I922-Y926 HydrophobicContact CG2-CE1 4.09Å; Y923-Y926 AromaticContact CD1-CD2 3.73Å; Y923-Y926 HydrophobicContact CD1-CD2 3.73Å; Y923-Y926 AromaticContact CD1-CE2 3.54Å; Y923-Y926 HydrophobicContact CD1-CE2 3.54Å; Y923-Y926 HydrophobicContact CE1-CD2 4.43Å; Y923-Y926 AromaticContact CE1-CE2 3.86Å; Y923-Y926 HydrophobicContact CE1-CE2 3.86Å; Y923-Y926 WeakPolarHBondContact O-CB 3.22Å; Y923-Y926 PolarHBondContact O-N 3.01Å; G924-Y926 VanDerWaalsContact C-N 3.28Å; G924-Y926 PolarHBondContact O-N 3.46Å; Y926-Y928 PolarHBondContact O-N 3.01Å; Y926-H929 PolarHBondContact O-N 3.35Å; Y926-H929 VanDerWaalsContact O-N 3.08Å; Y926-L932 HydrophobicContact CD1-CD1 4.41Å; Y926-L932 HydrophobicContact CG-CD1 4.25Å; Y926-G933 PolarHBondContact O-N 2.63Å
927S81.8Confident85.3Confident71 Ų7165.1 Ų65.150%0.49733%0.334SS..G310 helixtrans-56.2-30.3178.162.20000113.4G924 L925G924-S927 WeakPolarHBondContact O-CB 3.2Å; G924-S927 PolarHBondContact O-N 3.08Å; G924-S927 PolarHBondContact O-OG 2.93Å; L925-S927 PolarHBondContact O-N 2.86Å
928Y81.8Confident85Confident89 Ų8966.1 Ų66.135%0.34934%0.337SS..G310 helixtrans-70.8-33.1178.3132.7-94.1000112.9W720 M728 F810 Y926W720-Y928 HydrophobicContact CZ2-CD2 4.01Å; W720-Y928 HydrophobicContact CZ2-CE2 4.36Å; M728-Y928 HydrophobicContact CE-CD1 4.09Å; M728-Y928 HydrophobicContact CE-CD2 4.04Å; M728-Y928 HydrophobicContact CE-CE1 3.46Å; M728-Y928 VanDerWaalsContact CE-CE1 3.46Å; M728-Y928 HydrophobicContact CE-CE2 3.41Å; M728-Y928 VanDerWaalsContact CE-CE2 3.41Å; M728-Y928 HydrophobicContact CE-CG 4.36Å; M728-Y928 VanDerWaalsContact CE-OH 3.25Å; M728-Y928 WeakPolarHBondContact CE-OH 3.32Å; F810-Y928 AromaticContact CE1-CD1 3.7Å; F810-Y928 HydrophobicContact CE1-CD1 3.7Å; F810-Y928 HydrophobicContact CE1-CE1 4.31Å; F810-Y928 AromaticContact CE1-CG 3.87Å; F810-Y928 HydrophobicContact CE1-CG 3.87Å; F810-Y928 AromaticContact CZ-CD1 3.97Å; F810-Y928 HydrophobicContact CZ-CD1 3.97Å; F810-Y928 HydrophobicContact CZ-CG 4.04Å; Y926-Y928 PolarHBondContact O-N 3.01Å
929H84.2Confident84.7Confident67 Ų6770.5 Ų70.531%0.3136%0.36SS..SBendtrans-79.4129.6-169.3-173.8-77.2000110.5Y926 N931 L932 G933Y926-H929 PolarHBondContact O-N 3.35Å; Y926-H929 VanDerWaalsContact O-N 3.08Å; H929-N931 PolarHBondContact ND1-N 3.19Å; H929-N931 VanDerWaalsContact ND1-N 3.2Å; H929-N931 PolarHBondContact O-N 3.42Å; H929-L932 HydrophobicContact CB-CB 4.1Å; H929-L932 HydrophobicContact CB-CD1 4.2Å; H929-L932 HydrophobicContact CB-CG 4.32Å; H929-L932 PolarHBondContact O-N 3.28Å; H929-G933 PolarHBondContact O-N 2.95Å
930P80.6Confident84.2Confident96 Ų9671.4 Ų71.462%0.62336%0.362SS*.THydrogen-bonded Turntrans-57.8-32.8-170.620.1-32.8000113.6P934P930-P934 WeakPolarHBondContact O-CD 3.29Å; P930-P934 WeakPolarHBondContact O-CG 3.46Å
931N84.2Confident84Confident114 Ų11469 Ų6961%0.6135%0.353SS*.THydrogen-bonded Turntrans-91.6-22.1179.4-61.1-18.3000114.7H929H929-N931 PolarHBondContact ND1-N 3.19Å; H929-N931 VanDerWaalsContact ND1-N 3.2Å; H929-N931 PolarHBondContact O-N 3.42Å
932L84.6Confident83.9Confident67 Ų6769.1 Ų69.135%0.35136%0.355SS..THydrogen-bonded Turntrans-99-32-175.1-61.4172.4000111.7Y926 H929 K935 L936Y926-L932 HydrophobicContact CD1-CD1 4.41Å; Y926-L932 HydrophobicContact CG-CD1 4.25Å; H929-L932 HydrophobicContact CB-CB 4.1Å; H929-L932 HydrophobicContact CB-CD1 4.2Å; H929-L932 HydrophobicContact CB-CG 4.32Å; H929-L932 PolarHBondContact O-N 3.28Å; L932-K935 WeakPolarHBondContact O-CB 3.36Å; L932-K935 PolarHBondContact O-N 2.83Å; L932-K935 VanDerWaalsContact O-N 3.15Å; L932-L936 PolarHBondContact O-N 3.29Å
933G85.3Confident83.8Confident9 Ų971.5 Ų71.59%0.09337%0.368CS..Hα-helixtrans-55.6-51.8177.300000113.1Y926 H929 K935 L936 V937Y926-G933 PolarHBondContact O-N 2.63Å; H929-G933 PolarHBondContact O-N 2.95Å; G933-K935 VanDerWaalsContact C-N 3.26Å; G933-K935 PolarHBondContact O-N 3.4Å; G933-L936 WeakPolarHBondContact O-CB 3.25Å; G933-L936 PolarHBondContact O-N 3.46Å; G933-V937 PolarHBondContact O-N 3.31Å
934P83.3Confident83.8Confident70 Ų7070.9 Ų70.946%0.45537%0.369SS..Hα-helixtrans-59.8-35.6176.4-2635.3000113.3P930 L936 V937 M938P930-P934 WeakPolarHBondContact O-CD 3.29Å; P930-P934 WeakPolarHBondContact O-CG 3.46Å; P934-L936 VanDerWaalsContact C-N 3.31Å; P934-L936 PolarHBondContact O-N 2.94Å; P934-V937 PolarHBondContact O-N 3.48Å; P934-M938 WeakPolarHBondContact O-CB 3.45Å; P934-M938 PolarHBondContact O-N 3.31Å
935K84.6Confident84.1Confident118 Ų11874.5 Ų74.551%0.51338%0.383SS..Hα-helixtrans-66.7-33.2176.2-65.2-175.7180-173.60112L932 G933 M938 I939L932-K935 WeakPolarHBondContact O-CB 3.36Å; L932-K935 PolarHBondContact O-N 2.83Å; L932-K935 VanDerWaalsContact O-N 3.15Å; G933-K935 VanDerWaalsContact C-N 3.26Å; G933-K935 PolarHBondContact O-N 3.4Å; K935-M938 WeakPolarHBondContact O-CB 3.35Å; K935-M938 PolarHBondContact O-N 3.03Å; K935-I939 VanDerWaalsContact O-CG1 3.23Å; K935-I939 WeakPolarHBondContact O-CG1 3.25Å; K935-I939 PolarHBondContact O-N 3.02Å
936L85.3Confident84.4Confident30 Ų3075.8 Ų75.816%0.15739%0.39CS..Hα-helixtrans-66.7-44.1176.3-172.767.1000111.8W879 Y923 L932 G933 P934 M938 I939 R940W879-L936 HydrophobicContact CZ2-CD2 3.94Å; Y923-L936 VanDerWaalsContact O-CD2 3.24Å; Y923-L936 WeakPolarHBondContact O-CD2 3.37Å; L932-L936 PolarHBondContact O-N 3.29Å; G933-L936 WeakPolarHBondContact O-CB 3.25Å; G933-L936 PolarHBondContact O-N 3.46Å; P934-L936 VanDerWaalsContact C-N 3.31Å; P934-L936 PolarHBondContact O-N 2.94Å; L936-M938 VanDerWaalsContact C-N 3.27Å; L936-M938 PolarHBondContact O-N 3.39Å; L936-I939 PolarHBondContact O-N 3.2Å; L936-R940 PolarHBondContact O-N 3.01Å
937V81.5Confident84.6Confident101 Ų10175.2 Ų75.261%0.61239%0.392SS*.Hα-helixtrans-61.2-40.4175.2178.20000110.7G933 P934 R940 S941G933-V937 PolarHBondContact O-N 3.31Å; P934-V937 PolarHBondContact O-N 3.48Å; V937-R940 PolarHBondContact O-N 3.39Å; V937-S941 PolarHBondContact O-N 2.81Å; V937-S941 VanDerWaalsContact O-N 3.15Å
938M82.8Confident84.8Confident47 Ų4775.1 Ų75.123%0.23239%0.391CS..Hα-helixtrans-64.9-44.8176.4-175.8-169.694.300112.7P934 K935 L936 R940 S941 M942 L1050 I1053P934-M938 WeakPolarHBondContact O-CB 3.45Å; P934-M938 PolarHBondContact O-N 3.31Å; K935-M938 WeakPolarHBondContact O-CB 3.35Å; K935-M938 PolarHBondContact O-N 3.03Å; L936-M938 VanDerWaalsContact C-N 3.27Å; L936-M938 PolarHBondContact O-N 3.39Å; M938-R940 VanDerWaalsContact C-N 3.29Å; M938-R940 PolarHBondContact O-N 3.48Å; M938-S941 PolarHBondContact O-N 2.93Å; M938-M942 HydrophobicContact CE-CE 4.11Å; M938-M942 HydrophobicContact CG-CE 4.04Å; M938-M942 WeakPolarHBondContact O-CG 3.47Å; M938-M942 PolarHBondContact O-N 3.42Å; M938-L1050 HydrophobicContact CE-CD2 3.56Å; M938-L1050 HydrophobicContact CG-CD2 3.6Å; M938-L1050 HydrophobicContact SD-CD2 3.03Å; M938-L1050 WeakPolarHBondContact SD-CD2 3.41Å; M938-L1050 HydrophobicContact SD-CG 4.49Å; M938-I1053 HydrophobicContact CB-CD1 4.23Å; M938-I1053 HydrophobicContact CG-CD1 4.09Å
939I85.4Confident85.1Confident92 Ų9271.4 Ų71.447%0.47238%0.377SS..Hα-helixtrans-59.7-41.1175-72.2163.6000110.7K935 L936 M942 L943K935-I939 VanDerWaalsContact O-CG1 3.23Å; K935-I939 WeakPolarHBondContact O-CG1 3.25Å; K935-I939 PolarHBondContact O-N 3.02Å; L936-I939 PolarHBondContact O-N 3.2Å; I939-M942 PolarHBondContact O-N 2.77Å; I939-L943 WeakPolarHBondContact O-CB 3.36Å; I939-L943 PolarHBondContact O-N 3.4Å
940R83Confident85.3Confident114 Ų11471.7 Ų71.743%0.4338%0.38SS..Hα-helixtrans-59.6-48.4176.8177.7179.6169.8-175.4-6111.7E878 L936 V937 M938 M942 L943 E944E878-R940 IonicContact OE1-CZ 3.43Å; E878-R940 IonicContact OE1-NH1 2.68Å; E878-R940 PolarHBondContact OE1-NH1 3.14Å; E878-R940 IonicContact OE1-NH2 3.8Å; E878-R940 IonicContact OE2-NH1 2.77Å; E878-R940 PolarHBondContact OE2-NH1 3.18Å; L936-R940 PolarHBondContact O-N 3.01Å; V937-R940 PolarHBondContact O-N 3.39Å; M938-R940 VanDerWaalsContact C-N 3.29Å; M938-R940 PolarHBondContact O-N 3.48Å; R940-M942 VanDerWaalsContact C-N 3.3Å; R940-M942 PolarHBondContact O-N 2.79Å; R940-L943 WeakPolarHBondContact O-CB 3.44Å; R940-L943 PolarHBondContact O-N 2.99Å; R940-L943 VanDerWaalsContact O-N 3.11Å; R940-E944 IonicContact NE-OE1 3.79Å; R940-E944 PolarHBondContact O-N 2.78Å
941S82.9Confident85.8Confident41 Ų4173.7 Ų73.729%0.28738%0.379SS..Hα-helixtrans-62.1-37.7178-179.50000112.1V937 M938 L943V937-S941 PolarHBondContact O-N 2.81Å; V937-S941 VanDerWaalsContact O-N 3.15Å; M938-S941 PolarHBondContact O-N 2.93Å; S941-L943 VanDerWaalsContact C-N 3.32Å; S941-L943 PolarHBondContact O-N 3.02Å
942M86.3Confident86.1Confident26 Ų2672.6 Ų72.613%0.12837%0.372CS..Hα-helixtrans-66-34.1174-69.2179.7175.400113M938 I939 R940 E945 L946 F1046 C1049 L1050M938-M942 HydrophobicContact CE-CE 4.11Å; M938-M942 HydrophobicContact CG-CE 4.04Å; M938-M942 WeakPolarHBondContact O-CG 3.47Å; M938-M942 PolarHBondContact O-N 3.42Å; I939-M942 PolarHBondContact O-N 2.77Å; R940-M942 VanDerWaalsContact C-N 3.3Å; R940-M942 PolarHBondContact O-N 2.79Å; M942-E945 PolarHBondContact O-N 3.38Å; M942-L946 WeakPolarHBondContact O-CB 3.45Å; M942-L946 PolarHBondContact O-N 3.36Å; M942-F1046 HydrophobicContact CB-CD1 3.99Å; M942-F1046 HydrophobicContact CB-CE1 3.91Å; M942-F1046 HydrophobicContact CE-CB 4.24Å; M942-F1046 HydrophobicContact CG-CD1 4Å; M942-F1046 HydrophobicContact CG-CE1 4.42Å; M942-F1046 HydrophobicContact SD-CB 4.44Å; M942-F1046 HydrophobicContact SD-CD1 4.35Å; M942-F1046 HydrophobicContact SD-CG 4.31Å; M942-C1049 HydrophobicContact CG-CB 4.5Å; M942-L1050 HydrophobicContact CE-CD1 3.85Å; M942-L1050 HydrophobicContact CE-CD2 3.33Å; M942-L1050 HydrophobicContact CE-CG 3.28Å
943L86.8Confident86.3Confident91 Ų9170.9 Ų70.948%0.47636%0.364SS..Hα-helixtrans-69.9-34.3-178.6-167.8138.4000112I939 R940 S941 L946 I947I939-L943 WeakPolarHBondContact O-CB 3.36Å; I939-L943 PolarHBondContact O-N 3.4Å; R940-L943 WeakPolarHBondContact O-CB 3.44Å; R940-L943 PolarHBondContact O-N 2.99Å; R940-L943 VanDerWaalsContact O-N 3.11Å; S941-L943 VanDerWaalsContact C-N 3.32Å; S941-L943 PolarHBondContact O-N 3.02Å; L943-L946 PolarHBondContact O-N 3.27Å; L943-I947 HydrophobicContact CD2-CD1 3.77Å; L943-I947 HydrophobicContact CD2-CG1 4.39Å; L943-I947 WeakPolarHBondContact O-CG1 3.38Å; L943-I947 PolarHBondContact O-N 2.91Å
944E85.4Confident86.5Confident109 Ų10974 Ų7451%0.50938%0.377SS..Hα-helixtrans-62.1-44.2173.8-69.9175.4-172.200111.4R940 I947R940-E944 IonicContact NE-OE1 3.79Å; R940-E944 PolarHBondContact O-N 2.78Å; E944-I947 PolarHBondContact O-N 3.27Å
945E87.8Confident86.9Confident90 Ų9075.6 Ų75.642%0.42139%0.385SS..Hα-helixtrans-69.9-37.3174.5-66.4-61.2158.400112.6M942 I947 S948 F949 I1045M942-E945 PolarHBondContact O-N 3.38Å; E945-I947 VanDerWaalsContact C-N 3.29Å; E945-I947 PolarHBondContact O-N 3.42Å; E945-S948 WeakPolarHBondContact O-CB 3.28Å; E945-S948 PolarHBondContact O-N 2.97Å; E945-F949 PolarHBondContact O-N 3.26Å; E945-I1045 HydrophobicContact CB-CG2 3.98Å; E945-I1045 HydrophobicContact CG-CG2 4.31Å
946L89.5Confident87.1Confident52 Ų5271.8 Ų71.827%0.27237%0.372SS..Hα-helixtrans-61-38.4176.8178.563.1000111.5M942 L943 S948 F949 I950 L1042 F1046M942-L946 WeakPolarHBondContact O-CB 3.45Å; M942-L946 PolarHBondContact O-N 3.36Å; L943-L946 PolarHBondContact O-N 3.27Å; L946-S948 PolarHBondContact O-N 2.98Å; L946-F949 HydrophobicContact CD1-CD1 4.36Å; L946-F949 PolarHBondContact O-N 3.39Å; L946-I950 HydrophobicContact CD1-CD1 4.38Å; L946-I950 HydrophobicContact CD1-CG1 4.26Å; L946-I950 HydrophobicContact CG-CD1 3.99Å; L946-I950 HydrophobicContact CG-CG1 4.33Å; L946-I950 VanDerWaalsContact O-CG1 3.3Å; L946-I950 WeakPolarHBondContact O-CG1 3.34Å; L946-I950 PolarHBondContact O-N 3.22Å; L946-L1042 HydrophobicContact CD1-CD1 3.88Å; L946-L1042 HydrophobicContact CD1-CD2 3.86Å; L946-F1046 HydrophobicContact CB-CE1 4.3Å; L946-F1046 HydrophobicContact CB-CZ 4.27Å; L946-F1046 HydrophobicContact CD1-CZ 4.18Å
947I88.8Confident87.3Confident86 Ų8671.6 Ų71.644%0.44137%0.37SS..Hα-helixtrans-60.5-46.4176.4-71.6165000110.4L943 E944 E945 F949 I950 F951L943-I947 HydrophobicContact CD2-CD1 3.77Å; L943-I947 HydrophobicContact CD2-CG1 4.39Å; L943-I947 WeakPolarHBondContact O-CG1 3.38Å; L943-I947 PolarHBondContact O-N 2.91Å; E944-I947 PolarHBondContact O-N 3.27Å; E945-I947 VanDerWaalsContact C-N 3.29Å; E945-I947 PolarHBondContact O-N 3.42Å; I947-F949 VanDerWaalsContact C-N 3.29Å; I947-F949 PolarHBondContact O-N 2.97Å; I947-I950 PolarHBondContact O-N 2.95Å; I947-F951 HydrophobicContact CG2-CE2 4Å; I947-F951 WeakPolarHBondContact O-CD2 3.27Å; I947-F951 PolarHBondContact O-N 3.01Å
948S86.2Confident87.8Confident68 Ų6869.9 Ų69.948%0.47636%0.357SS..Hα-helixtrans-60.3-39.6175.8-61.10000111.9E945 L946 F951E945-S948 WeakPolarHBondContact O-CB 3.28Å; E945-S948 PolarHBondContact O-N 2.97Å; L946-S948 PolarHBondContact O-N 2.98Å; S948-F951 PolarHBondContact O-N 3.21Å
949F88.5Confident88.2Confident11 Ų1170.8 Ų70.85%0.04837%0.372CS..Hα-helixtrans-69.4-38.4177.2178.3-92.7000113.3E945 L946 I947 F951 I952 L953 L1038 L1042E945-F949 PolarHBondContact O-N 3.26Å; L946-F949 HydrophobicContact CD1-CD1 4.36Å; L946-F949 PolarHBondContact O-N 3.39Å; I947-F949 VanDerWaalsContact C-N 3.29Å; I947-F949 PolarHBondContact O-N 2.97Å; F949-F951 PolarHBondContact O-N 2.95Å; F949-I952 WeakPolarHBondContact O-CB 3.45Å; F949-I952 PolarHBondContact O-N 3.34Å; F949-L953 HydrophobicContact CE1-CB 4.44Å; F949-L953 PolarHBondContact O-N 3Å; F949-L1038 HydrophobicContact CE2-CB 4.2Å; F949-L1038 HydrophobicContact CE2-CD2 4.28Å; F949-L1038 WeakPolarHBondContact CE2-O 3.38Å; F949-L1038 HydrophobicContact CZ-CB 3.8Å; F949-L1038 WeakPolarHBondContact CZ-O 3.49Å; F949-L1042 HydrophobicContact CB-CD1 4.16Å; F949-L1042 HydrophobicContact CD1-CB 4.43Å; F949-L1042 HydrophobicContact CD1-CD1 3.85Å; F949-L1042 HydrophobicContact CD1-CD2 4.13Å; F949-L1042 HydrophobicContact CD1-CG 4.36Å; F949-L1042 HydrophobicContact CD2-CB 4.43Å; F949-L1042 HydrophobicContact CD2-CD1 4.29Å; F949-L1042 HydrophobicContact CE1-CB 4.05Å; F949-L1042 HydrophobicContact CE1-CD1 4.29Å; F949-L1042 HydrophobicContact CE1-CD2 3.94Å; F949-L1042 HydrophobicContact CE1-CG 4.32Å; F949-L1042 HydrophobicContact CE2-CB 4.05Å; F949-L1042 HydrophobicContact CG-CD1 3.84Å; F949-L1042 HydrophobicContact CZ-CB 3.83Å
950I89.1Confident88.6Confident73 Ų7366.9 Ų66.937%0.37435%0.351SS..Hα-helixtrans-57.4-36176.7-75167.4000110.7L946 I947 I952 L953 I954L946-I950 HydrophobicContact CD1-CD1 4.38Å; L946-I950 HydrophobicContact CD1-CG1 4.26Å; L946-I950 HydrophobicContact CG-CD1 3.99Å; L946-I950 HydrophobicContact CG-CG1 4.33Å; L946-I950 VanDerWaalsContact O-CG1 3.3Å; L946-I950 WeakPolarHBondContact O-CG1 3.34Å; L946-I950 PolarHBondContact O-N 3.22Å; I947-I950 PolarHBondContact O-N 2.95Å; I950-I952 VanDerWaalsContact C-N 3.35Å; I950-I952 PolarHBondContact O-N 3.2Å; I950-L953 PolarHBondContact O-N 3.35Å; I950-I954 HydrophobicContact CG2-CD1 3.68Å; I950-I954 HydrophobicContact CG2-CG1 4.16Å; I950-I954 WeakPolarHBondContact O-CB 3.5Å; I950-I954 VanDerWaalsContact O-CG1 3.27Å; I950-I954 WeakPolarHBondContact O-CG1 3.47Å; I950-I954 PolarHBondContact O-N 3.01Å
951F90.7Very high88.9Confident138 Ų13861.6 Ų61.661%0.60533%0.332SS*.Hα-helixtrans-61.2-40.8174.1-76.5-71.4000112.9I947 S948 F949 V955I947-F951 HydrophobicContact CG2-CE2 4Å; I947-F951 WeakPolarHBondContact O-CD2 3.27Å; I947-F951 PolarHBondContact O-N 3.01Å; S948-F951 PolarHBondContact O-N 3.21Å; F949-F951 PolarHBondContact O-N 2.95Å; F951-V955 WeakPolarHBondContact O-CG2 3.43Å; F951-V955 PolarHBondContact O-N 3.46Å
952I89.9Confident89.4Confident91 Ų9163.8 Ų63.847%0.46734%0.34SS..Hα-helixtrans-65.9-43176-59.2172.9000110.1F949 I950 V955 L1038F949-I952 WeakPolarHBondContact O-CB 3.45Å; F949-I952 PolarHBondContact O-N 3.34Å; I950-I952 VanDerWaalsContact C-N 3.35Å; I950-I952 PolarHBondContact O-N 3.2Å; I952-V955 PolarHBondContact O-N 2.96Å; I952-L1038 HydrophobicContact CG2-CD2 4.2Å
953L89Confident89.6Confident32 Ų3264.2 Ų64.217%0.16835%0.345CS..Hα-helixtrans-62.7-43.7178.9-176.564.5000111.8F949 I950 V955 V956 F957 L991 A1034 L1038F949-L953 HydrophobicContact CE1-CB 4.44Å; F949-L953 PolarHBondContact O-N 3Å; I950-L953 PolarHBondContact O-N 3.35Å; L953-V955 PolarHBondContact O-N 3.37Å; L953-V956 PolarHBondContact O-N 2.8Å; L953-F957 WeakPolarHBondContact O-CB 3.37Å; L953-F957 PolarHBondContact O-N 3.17Å; L953-L991 HydrophobicContact CD1-CD2 4.25Å; L953-L991 HydrophobicContact CD2-CD2 3.83Å; L953-A1034 HydrophobicContact CD1-CB 4.31Å; L953-L1038 HydrophobicContact CD1-CD1 4.1Å
954I89.5Confident89.8Confident73 Ų7360 Ų6037%0.37432%0.323SS..Hα-helixtrans-57.4-36.8178.6-74168.1000111.7I950 L958I950-I954 HydrophobicContact CG2-CD1 3.68Å; I950-I954 HydrophobicContact CG2-CG1 4.16Å; I950-I954 WeakPolarHBondContact O-CB 3.5Å; I950-I954 VanDerWaalsContact O-CG1 3.27Å; I950-I954 WeakPolarHBondContact O-CG1 3.47Å; I950-I954 PolarHBondContact O-N 3.01Å; I954-L958 HydrophobicContact CG2-CD1 3.7Å; I954-L958 HydrophobicContact CG2-CG 4.17Å; I954-L958 WeakPolarHBondContact O-CB 3.28Å; I954-L958 WeakPolarHBondContact O-CG 3.4Å; I954-L958 PolarHBondContact O-N 3.43Å
955V91.2Very high89.9Confident104 Ų10455.7 Ų55.763%0.6330%0.303SS*.Hα-helixtrans-63.9-48.6178.6173.50000111.4F951 I952 L953 A959F951-V955 WeakPolarHBondContact O-CG2 3.43Å; F951-V955 PolarHBondContact O-N 3.46Å; I952-V955 PolarHBondContact O-N 2.96Å; L953-V955 PolarHBondContact O-N 3.37Å; V955-A959 WeakPolarHBondContact O-CB 3.34Å; V955-A959 PolarHBondContact O-N 3.42Å; V955-A959 VanDerWaalsContact O-N 3.15Å
956V90.2Very high90Very high38 Ų3855.8 Ų55.823%0.2331%0.309CS..Hα-helixtrans-67.7-41.1179.2178.90000110.8L953 A959 Y960 Y1030 I1033 A1034 L1038L953-V956 PolarHBondContact O-N 2.8Å; V956-A959 PolarHBondContact O-N 2.81Å; V956-Y960 PolarHBondContact O-N 2.91Å; V956-Y960 VanDerWaalsContact O-N 3.07Å; V956-Y1030 HydrophobicContact CG1-CD2 4.2Å; V956-Y1030 HydrophobicContact CG1-CE2 4.41Å; V956-I1033 HydrophobicContact CG1-CG2 4.13Å; V956-A1034 HydrophobicContact CG1-CB 4.47Å; V956-L1038 HydrophobicContact CB-CD1 4.43Å; V956-L1038 HydrophobicContact CG2-CD1 4.06Å
957F89.1Confident89.9Confident27 Ų2755.2 Ų55.212%0.11831%0.306CS..Hα-helixtrans-58.7-50.1177.7169.7-95.9000112.9L953 Y960 G961 L984 P987 Y988L953-F957 WeakPolarHBondContact O-CB 3.37Å; L953-F957 PolarHBondContact O-N 3.17Å; F957-Y960 PolarHBondContact O-N 2.74Å; F957-G961 PolarHBondContact O-N 3.4Å; F957-L984 HydrophobicContact CD1-CD2 4.4Å; F957-L984 HydrophobicContact CE1-CB 4.18Å; F957-L984 HydrophobicContact CE1-CD2 3.52Å; F957-L984 HydrophobicContact CE1-CG 4.44Å; F957-L984 WeakPolarHBondContact CE2-O 3.47Å; F957-L984 HydrophobicContact CZ-CB 4.08Å; F957-L984 HydrophobicContact CZ-CD2 4.28Å; F957-L984 WeakPolarHBondContact CZ-O 3.29Å; F957-P987 HydrophobicContact CD2-CB 3.59Å; F957-P987 HydrophobicContact CE2-CB 3.54Å; F957-P987 HydrophobicContact CG-CB 4.39Å; F957-P987 HydrophobicContact CZ-CB 4.29Å; F957-Y988 VanDerWaalsContact CE2-N 3.32Å
958L91.2Very high89.8Confident65 Ų6551.1 Ų51.134%0.3429%0.285SS..Hα-helixtrans-66.6-40.5177.9-75.6172.8000112.1I954 Y960 G961 I962 L984I954-L958 HydrophobicContact CG2-CD1 3.7Å; I954-L958 HydrophobicContact CG2-CG 4.17Å; I954-L958 WeakPolarHBondContact O-CB 3.28Å; I954-L958 WeakPolarHBondContact O-CG 3.4Å; I954-L958 PolarHBondContact O-N 3.43Å; L958-Y960 VanDerWaalsContact C-N 3.34Å; L958-Y960 PolarHBondContact O-N 3.32Å; L958-G961 PolarHBondContact O-N 3.34Å; L958-I962 WeakPolarHBondContact O-CB 3.38Å; L958-I962 VanDerWaalsContact O-CG1 3.28Å; L958-I962 WeakPolarHBondContact O-CG1 3.47Å; L958-I962 PolarHBondContact O-N 3.24Å; L958-L984 HydrophobicContact CD2-CD2 3.35Å
959A92.5Very high89.8Confident65 Ų6549.3 Ų49.354%0.53727%0.268SS..Hα-helixtrans-59.6-46178.500000111.4V955 V956 S963V955-A959 WeakPolarHBondContact O-CB 3.34Å; V955-A959 PolarHBondContact O-N 3.42Å; V955-A959 VanDerWaalsContact O-N 3.15Å; V956-A959 PolarHBondContact O-N 2.81Å; A959-S963 VanDerWaalsContact O-CB 3.25Å; A959-S963 WeakPolarHBondContact O-CB 3.28Å; A959-S963 PolarHBondContact O-N 3.27Å; A959-S963 VanDerWaalsContact O-N 3.16Å; A959-S963 PolarHBondContact O-OG 2.87Å; A959-S963 VanDerWaalsContact O-OG 3.11Å
960Y92.2Very high89.6Confident11 Ų1151.9 Ų51.94%0.04329%0.286CS..Hα-helixtrans-65.4-50.5175.1169.4-112.7000111.9V956 F957 L958 I962 S963 L964 P987 N990 F1026 L1027 Y1030V956-Y960 PolarHBondContact O-N 2.91Å; V956-Y960 VanDerWaalsContact O-N 3.07Å; F957-Y960 PolarHBondContact O-N 2.74Å; L958-Y960 VanDerWaalsContact C-N 3.34Å; L958-Y960 PolarHBondContact O-N 3.32Å; Y960-I962 PolarHBondContact O-N 3.39Å; Y960-S963 PolarHBondContact O-N 3.18Å; Y960-S963 PolarHBondContact O-OG 3.27Å; Y960-L964 HydrophobicContact CE1-CD2 4.35Å; Y960-L964 HydrophobicContact CE2-CB 4.37Å; Y960-L964 HydrophobicContact CE2-CD2 4.47Å; Y960-L964 WeakPolarHBondContact O-CB 3.21Å; Y960-L964 PolarHBondContact O-N 3.44Å; Y960-P987 HydrophobicContact CD1-CB 3.74Å; Y960-P987 HydrophobicContact CD1-CG 3.72Å; Y960-P987 HydrophobicContact CE1-CB 4.03Å; Y960-P987 HydrophobicContact CE1-CG 3.9Å; Y960-N990 PolarHBondContact OH-ND2 3.26Å; Y960-F1026 HydrophobicContact CD2-CB 4.17Å; Y960-F1026 HydrophobicContact CE2-CB 4.14Å; Y960-L1027 HydrophobicContact CE2-CB 4.37Å; Y960-L1027 VanDerWaalsContact OH-CD1 3.25Å; Y960-L1027 WeakPolarHBondContact OH-CD1 3.4Å; Y960-Y1030 AromaticContact CD1-CD1 3.82Å; Y960-Y1030 HydrophobicContact CD1-CD1 3.82Å; Y960-Y1030 AromaticContact CD1-CD2 3.83Å; Y960-Y1030 HydrophobicContact CD1-CD2 3.83Å; Y960-Y1030 HydrophobicContact CD1-CE1 4.09Å; Y960-Y1030 HydrophobicContact CD1-CE2 4.12Å; Y960-Y1030 AromaticContact CD1-CG 3.67Å; Y960-Y1030 HydrophobicContact CD1-CG 3.67Å; Y960-Y1030 HydrophobicContact CD2-CG 4.19Å; Y960-Y1030 AromaticContact CE1-CD1 3.86Å; Y960-Y1030 HydrophobicContact CE1-CD1 3.86Å; Y960-Y1030 HydrophobicContact CE1-CE1 4.18Å; Y960-Y1030 HydrophobicContact CE1-CG 4.11Å; Y960-Y1030 HydrophobicContact CG-CD1 4.31Å; Y960-Y1030 AromaticContact CG-CD2 3.81Å; Y960-Y1030 HydrophobicContact CG-CD2 3.81Å; Y960-Y1030 HydrophobicContact CG-CE2 4.46Å; Y960-Y1030 AromaticContact CG-CG 3.71Å; Y960-Y1030 HydrophobicContact CG-CG 3.71Å
961G90.9Very high89.2Confident2 Ų252.2 Ų52.22%0.02129%0.289CS..Hα-helixtrans-57.3-47.2-177.800000114.1F957 L958 L964 H965 V983F957-G961 PolarHBondContact O-N 3.4Å; L958-G961 PolarHBondContact O-N 3.34Å; G961-L964 PolarHBondContact O-N 2.7Å; G961-H965 WeakPolarHBondContact O-CB 3.3Å; G961-H965 PolarHBondContact O-N 2.86Å; G961-V983 WeakPolarHBondContact CA-O 3.25Å
962I92.3Very high88.7Confident88 Ų8849.1 Ų49.145%0.45127%0.273SS..Hα-helixtrans-66.2-45.3178.6-63.7167.4000109.9L958 Y960 L964 H965 V966 V983L958-I962 WeakPolarHBondContact O-CB 3.38Å; L958-I962 VanDerWaalsContact O-CG1 3.28Å; L958-I962 WeakPolarHBondContact O-CG1 3.47Å; L958-I962 PolarHBondContact O-N 3.24Å; Y960-I962 PolarHBondContact O-N 3.39Å; I962-L964 VanDerWaalsContact C-N 3.32Å; I962-L964 PolarHBondContact O-N 3.3Å; I962-H965 PolarHBondContact O-N 2.64Å; I962-V966 HydrophobicContact CG2-CG2 4.15Å; I962-V966 WeakPolarHBondContact O-CB 3.05Å; I962-V966 VanDerWaalsContact O-CG2 3.25Å; I962-V966 WeakPolarHBondContact O-CG2 3.49Å; I962-V966 PolarHBondContact O-N 2.87Å; I962-V983 HydrophobicContact CG1-CG1 3.72Å
963S91.6Very high88.1Confident35 Ų3553 Ų5325%0.24529%0.289CS..Hα-helixtrans-61-40.3179.871.90000112.6A959 Y960 L967A959-S963 VanDerWaalsContact O-CB 3.25Å; A959-S963 WeakPolarHBondContact O-CB 3.28Å; A959-S963 PolarHBondContact O-N 3.27Å; A959-S963 VanDerWaalsContact O-N 3.16Å; A959-S963 PolarHBondContact O-OG 2.87Å; A959-S963 VanDerWaalsContact O-OG 3.11Å; Y960-S963 PolarHBondContact O-N 3.18Å; Y960-S963 PolarHBondContact O-OG 3.27Å; S963-L967 WeakPolarHBondContact O-CB 3.44Å; S963-L967 VanDerWaalsContact O-CG 3.26Å; S963-L967 WeakPolarHBondContact O-CG 3.48Å; S963-L967 PolarHBondContact O-N 2.97Å
964L89.9Confident87.7Confident2 Ų259.8 Ų59.81%0.0132%0.319CS..Hα-helixtrans-66-48.4178.1-177.570.1000110.9Y960 G961 I962 V966 L967 L968 Y999 T1000 C1023Y960-L964 HydrophobicContact CE1-CD2 4.35Å; Y960-L964 HydrophobicContact CE2-CB 4.37Å; Y960-L964 HydrophobicContact CE2-CD2 4.47Å; Y960-L964 WeakPolarHBondContact O-CB 3.21Å; Y960-L964 PolarHBondContact O-N 3.44Å; G961-L964 PolarHBondContact O-N 2.7Å; I962-L964 VanDerWaalsContact C-N 3.32Å; I962-L964 PolarHBondContact O-N 3.3Å; L964-V966 PolarHBondContact O-N 2.95Å; L964-L967 PolarHBondContact O-N 3.5Å; L964-L968 HydrophobicContact CD1-CD1 4.1Å; L964-L968 HydrophobicContact CG-CD1 3.93Å; L964-L968 WeakPolarHBondContact O-CG 3.18Å; L964-L968 PolarHBondContact O-N 3.07Å; L964-L968 VanDerWaalsContact O-N 3.08Å; L964-Y999 HydrophobicContact CD2-CD1 4.04Å; L964-Y999 HydrophobicContact CD2-CE1 3.81Å; L964-Y999 HydrophobicContact CG-CE1 4.27Å; L964-T1000 HydrophobicContact CD1-CG2 4.26Å; L964-T1000 HydrophobicContact CD2-CG2 4.24Å; L964-C1023 HydrophobicContact CD1-CB 3.76Å
965H88.2Confident87.4Confident19 Ų1964.3 Ų64.39%0.08834%0.337CS..Hα-helixtrans-66.2-38.5-177.1-162.7-73.8000112.2G961 I962 L968 Y969 V983 Y999G961-H965 WeakPolarHBondContact O-CB 3.3Å; G961-H965 PolarHBondContact O-N 2.86Å; I962-H965 PolarHBondContact O-N 2.64Å; H965-L968 PolarHBondContact O-N 3.21Å; H965-Y969 AromaticContact CE1-CD2 3.8Å; H965-Y969 PolarHBondContact O-N 3.34Å; H965-Y969 VanDerWaalsContact O-N 3.09Å; H965-V983 HydrophobicContact CB-CG2 3.56Å; H965-Y999 PolarHBondContact CD2-OH 3.05Å
966V88.8Confident87.1Confident91 Ų9161.8 Ų61.855%0.55232%0.324SS*.Hα-helixtrans-65.8-39.9176.6170.80000111.6I962 L964 Y969I962-V966 HydrophobicContact CG2-CG2 4.15Å; I962-V966 WeakPolarHBondContact O-CB 3.05Å; I962-V966 VanDerWaalsContact O-CG2 3.25Å; I962-V966 WeakPolarHBondContact O-CG2 3.49Å; I962-V966 PolarHBondContact O-N 2.87Å; L964-V966 PolarHBondContact O-N 2.95Å; V966-Y969 CarbonylContact O-C 3.14Å
967L88.3Confident86.9Confident41 Ų4169.1 Ų69.122%0.21535%0.347CS..Hα-helixtrans-70.5-33.7179-73.6174.6000113S963 L964 H1020 L1022 C1023 F1026S963-L967 WeakPolarHBondContact O-CB 3.44Å; S963-L967 VanDerWaalsContact O-CG 3.26Å; S963-L967 WeakPolarHBondContact O-CG 3.48Å; S963-L967 PolarHBondContact O-N 2.97Å; L964-L967 PolarHBondContact O-N 3.5Å; L967-H1020 HydrophobicContact CB-CB 4.47Å; L967-L1022 HydrophobicContact CD1-CB 3.94Å; L967-C1023 VanDerWaalsContact CB-SG 3.53Å; L967-F1026 HydrophobicContact CD1-CD2 3.82Å; L967-F1026 HydrophobicContact CD1-CE2 3.57Å
968L86.1Confident86.7Confident0 Ų069.9 Ų69.90%036%0.356CS..Hα-helixtrans-77.2-34179.2-69.8170.1000112.7L964 H965 P970 Y999 A1002 P1017 I1018L964-L968 HydrophobicContact CD1-CD1 4.1Å; L964-L968 HydrophobicContact CG-CD1 3.93Å; L964-L968 WeakPolarHBondContact O-CG 3.18Å; L964-L968 PolarHBondContact O-N 3.07Å; L964-L968 VanDerWaalsContact O-N 3.08Å; H965-L968 PolarHBondContact O-N 3.21Å; L968-P970 VanDerWaalsContact C-CD 3.47Å; L968-P970 WeakPolarHBondContact O-CD 3.39Å; L968-Y999 HydrophobicContact CD1-CD1 3.82Å; L968-Y999 HydrophobicContact CD1-CE1 3.43Å; L968-Y999 VanDerWaalsContact CD1-CE1 3.43Å; L968-Y999 HydrophobicContact CD1-CE2 4.26Å; L968-Y999 HydrophobicContact CD1-CG 4.39Å; L968-Y999 WeakPolarHBondContact CD1-O 3.35Å; L968-A1002 HydrophobicContact CD2-CB 4.09Å; L968-P1017 HydrophobicContact CB-CB 4.15Å; L968-P1017 HydrophobicContact CD2-CB 4.21Å; L968-P1017 WeakPolarHBondContact O-CA 3.43Å; L968-I1018 PolarHBondContact O-N 3.38Å
969Y86.8Confident86.3Confident29 Ų2967.7 Ų67.711%0.11435%0.345CS..  trans-123.368.8-177.4-60.5-82000112.3H965 V966 N971 Y999 G1013 P1017H965-Y969 AromaticContact CE1-CD2 3.8Å; H965-Y969 PolarHBondContact O-N 3.34Å; H965-Y969 VanDerWaalsContact O-N 3.09Å; V966-Y969 CarbonylContact O-C 3.14Å; Y969-N971 VanDerWaalsContact C-N 3.28Å; Y969-N971 PolarHBondContact O-N 3.4Å; Y969-Y999 HydrophobicContact CE2-CE2 4.21Å; Y969-G1013 CarbonylContact C-O 3.59Å; Y969-G1013 WeakPolarHBondContact CA-O 3.41Å; Y969-P1017 HydrophobicContact CE1-CB 4.2Å; Y969-P1017 HydrophobicContact CE2-CB 4.46Å
970P84.3Confident86.1Confident65 Ų6567.3 Ų67.342%0.42234%0.336SS..THydrogen-bonded Turntrans-68.2-23.5-173.826.9-35.5000114.3L968 I1018L968-P970 VanDerWaalsContact C-CD 3.47Å; L968-P970 WeakPolarHBondContact O-CD 3.39Å; P970-I1018 HydrophobicContact CG-CD1 3.93Å
971N81.3Confident85.9Confident81 Ų8173.4 Ų73.443%0.43336%0.358SS..THydrogen-bonded Turntrans-100.34.7-172-64.2-28.3000113.4Y969 H973 D1012 G1013 I1014Y969-N971 VanDerWaalsContact C-N 3.28Å; Y969-N971 PolarHBondContact O-N 3.4Å; N971-H973 PolarHBondContact O-CD2 2.77Å; N971-D1012 PolarHBondContact ND2-O 3.19Å; N971-D1012 VanDerWaalsContact ND2-O 3.08Å; N971-G1013 PolarHBondContact N-O 3.49Å; N971-I1014 HydrophobicContact CB-CD1 4.35Å; N971-I1014 HydrophobicContact CB-CG1 3.62Å
972R79.9Confident85.6Confident73 Ų7374.6 Ų74.628%0.27536%0.364SS..  trans-87.8119.4-178.8-171.6179.2-81.7-172-7.2110.7D979 I1014R972-D979 WeakPolarHBondContact CD-OD2 3.44Å; R972-D979 IonicContact CZ-OD1 3.87Å; R972-D979 IonicContact CZ-OD2 3.74Å; R972-D979 IonicContact NE-OD2 3.85Å; R972-D979 IonicContact NH1-OD1 2.64Å; R972-D979 PolarHBondContact NH1-OD1 3.09Å; R972-D979 IonicContact NH1-OD2 2.86Å; R972-D979 PolarHBondContact NH1-OD2 3.16Å; R972-I1014 PolarHBondContact NE-O 3.48Å; R972-I1014 PolarHBondContact NH2-O 2.9Å
973H76.1Confident85.5Confident173 Ų17371.4 Ų71.480%0.80135%0.349SS*.  trans-114-12.6-178.6-61.8-60.9000114.3N971N971-H973 PolarHBondContact O-CD2 2.77Å
974E80.9Confident85.4Confident173 Ų17373 Ų7381%0.80835%0.354SS*.SBendtrans-90.5134.6-179.9-65.4-176.6176.500111S976E974-S976 PolarHBondContact O-N 3.11Å
975F83.6Confident85.4Confident169 Ų16978.2 Ų78.274%0.74138%0.375SS*.  trans-75.3118.9176.7174.9-97000110.4V980F975-V980 HydrophobicContact CE2-CG2 3.6Å; F975-V980 HydrophobicContact CZ-CG2 3.91Å
976S85Confident85.3Confident50 Ų5079.9 Ų79.935%0.3538%0.38SS..  trans-120.9141.5170.7-178.20000111.3E974 S978 D979E974-S976 PolarHBondContact O-N 3.11Å; S976-S978 WeakPolarHBondContact CB-OG 3.47Å; S976-S978 PolarHBondContact O-N 3.23Å; S976-S978 PolarHBondContact OG-N 3.03Å; S976-S978 PolarHBondContact OG-OG 3.29Å; S976-D979 WeakPolarHBondContact O-CB 3.21Å; S976-D979 PolarHBondContact O-N 3.16Å
977W86.2Confident85.3Confident193 Ų19375.6 Ų75.673%0.73135%0.354SS*.Hα-helixtrans-64.7-25.9176.3-134.497.7000112.3D979 R981W977-D979 PolarHBondContact O-N 3.45Å; W977-R981 PolarHBondContact O-N 3.17Å
978S84.4Confident85.3Confident42 Ų4278.7 Ų78.729%0.29436%0.364SS..Hα-helixtrans-56.5-36.1171.552.40000112S976 R981 D982S976-S978 WeakPolarHBondContact CB-OG 3.47Å; S976-S978 PolarHBondContact O-N 3.23Å; S976-S978 PolarHBondContact OG-N 3.03Å; S976-S978 PolarHBondContact OG-OG 3.29Å; S978-R981 WeakPolarHBondContact O-CB 3.25Å; S978-R981 PolarHBondContact O-N 3.48Å; S978-D982 WeakPolarHBondContact O-CB 3.21Å; S978-D982 PolarHBondContact O-N 3.09Å
979D83.9Confident85.4Confident20 Ų2082.9 Ų82.911%0.10738%0.38CS..Hα-helixtrans-78.9-39.2-168.9-57.23.3000109.8R972 S976 W977 R981 D982 V983R972-D979 WeakPolarHBondContact CD-OD2 3.44Å; R972-D979 IonicContact CZ-OD1 3.87Å; R972-D979 IonicContact CZ-OD2 3.74Å; R972-D979 IonicContact NE-OD2 3.85Å; R972-D979 IonicContact NH1-OD1 2.64Å; R972-D979 PolarHBondContact NH1-OD1 3.09Å; R972-D979 IonicContact NH1-OD2 2.86Å; R972-D979 PolarHBondContact NH1-OD2 3.16Å; S976-D979 WeakPolarHBondContact O-CB 3.21Å; S976-D979 PolarHBondContact O-N 3.16Å; W977-D979 PolarHBondContact O-N 3.45Å; D979-R981 VanDerWaalsContact C-N 3.28Å; D979-R981 PolarHBondContact O-N 3.19Å; D979-D982 PolarHBondContact O-N 3.14Å; D979-V983 WeakPolarHBondContact O-CB 3.37Å; D979-V983 WeakPolarHBondContact O-CG2 3.09Å; D979-V983 PolarHBondContact O-N 3.48Å
980V86.6Confident85.4Confident57 Ų5781.6 Ų81.635%0.34538%0.375SS..Hα-helixtrans-60.3-42.4170.8-179.20000110.3F975 L984F975-V980 HydrophobicContact CE2-CG2 3.6Å; F975-V980 HydrophobicContact CZ-CG2 3.91Å; V980-L984 HydrophobicContact CG1-CD1 4.49Å; V980-L984 WeakPolarHBondContact O-CG 3.45Å; V980-L984 PolarHBondContact O-N 3.2Å
981R88.9Confident85.5Confident138 Ų13879.9 Ų79.952%0.52136%0.362SS..Hα-helixtrans-62.1-47.7175.6-178.4-163.166.8-169.9-2.7110.8W977 S978 D979 L984 Y985W977-R981 PolarHBondContact O-N 3.17Å; S978-R981 WeakPolarHBondContact O-CB 3.25Å; S978-R981 PolarHBondContact O-N 3.48Å; D979-R981 VanDerWaalsContact C-N 3.28Å; D979-R981 PolarHBondContact O-N 3.19Å; R981-L984 PolarHBondContact O-N 3.24Å; R981-L984 VanDerWaalsContact O-N 3.17Å; R981-Y985 WeakPolarHBondContact O-CB 3.43Å; R981-Y985 PolarHBondContact O-N 3.11Å
982D85Confident85.6Confident28 Ų2883.2 Ų83.215%0.1537%0.37CS..Hα-helixtrans-68.7-37.1-174.4-65-6000111.6S978 D979 L984 Y985 Y986S978-D982 WeakPolarHBondContact O-CB 3.21Å; S978-D982 PolarHBondContact O-N 3.09Å; D979-D982 PolarHBondContact O-N 3.14Å; D982-L984 PolarHBondContact O-N 3.2Å; D982-Y985 PolarHBondContact O-N 3.08Å; D982-Y986 HydrophobicContact CB-CD2 4.23Å; D982-Y986 HydrophobicContact CB-CE2 3.97Å; D982-Y986 VanDerWaalsContact O-CD2 3.28Å; D982-Y986 WeakPolarHBondContact O-CD2 3.41Å; D982-Y986 PolarHBondContact O-N 3.44Å
983V89.9Confident85.8Confident21 Ų2182.1 Ų82.113%0.12738%0.381CS..Hα-helixtrans-56.2-33.6171.4163.70000112.5G961 I962 H965 D979 P987G961-V983 WeakPolarHBondContact CA-O 3.25Å; I962-V983 HydrophobicContact CG1-CG1 3.72Å; H965-V983 HydrophobicContact CB-CG2 3.56Å; D979-V983 WeakPolarHBondContact O-CB 3.37Å; D979-V983 WeakPolarHBondContact O-CG2 3.09Å; D979-V983 PolarHBondContact O-N 3.48Å; V983-P987 WeakPolarHBondContact O-CD 3.26Å; V983-P987 WeakPolarHBondContact O-CG 3.4Å
984L89.6Confident86.3Confident68 Ų6879.2 Ų79.236%0.35637%0.368SS..Hα-helixtrans-91.5-38178.5-56.2172.6000111.5F957 L958 V980 R981 D982 Y988F957-L984 HydrophobicContact CD1-CD2 4.4Å; F957-L984 HydrophobicContact CE1-CB 4.18Å; F957-L984 HydrophobicContact CE1-CD2 3.52Å; F957-L984 HydrophobicContact CE1-CG 4.44Å; F957-L984 WeakPolarHBondContact CE2-O 3.47Å; F957-L984 HydrophobicContact CZ-CB 4.08Å; F957-L984 HydrophobicContact CZ-CD2 4.28Å; F957-L984 WeakPolarHBondContact CZ-O 3.29Å; L958-L984 HydrophobicContact CD2-CD2 3.35Å; V980-L984 HydrophobicContact CG1-CD1 4.49Å; V980-L984 WeakPolarHBondContact O-CG 3.45Å; V980-L984 PolarHBondContact O-N 3.2Å; R981-L984 PolarHBondContact O-N 3.24Å; R981-L984 VanDerWaalsContact O-N 3.17Å; D982-L984 PolarHBondContact O-N 3.2Å; L984-Y988 WeakPolarHBondContact O-CB 3.38Å; L984-Y988 PolarHBondContact O-N 3.09Å
985Y89.1Confident86.3Confident112 Ų11274.4 Ų74.444%0.43935%0.347SS..Hα-helixtrans-64.1-52.8-171.7-176.6-90.5000112.2R981 D982 Y988 W989R981-Y985 WeakPolarHBondContact O-CB 3.43Å; R981-Y985 PolarHBondContact O-N 3.11Å; D982-Y985 PolarHBondContact O-N 3.08Å; Y985-Y988 WeakPolarHBondContact O-CB 3.46Å; Y985-Y988 PolarHBondContact O-N 3.35Å; Y985-W989 AromaticContact CD1-CD1 3.77Å; Y985-W989 AromaticContact CD2-CD1 3.94Å; Y985-W989 AromaticContact CD2-NE1 3.59Å; Y985-W989 AromaticContact CE1-CD1 3.49Å; Y985-W989 VanDerWaalsContact CE1-CD1 3.49Å; Y985-W989 AromaticContact CE1-NE1 3.77Å; Y985-W989 AromaticContact CE2-CD1 3.7Å; Y985-W989 AromaticContact CE2-NE1 3.1Å; Y985-W989 AromaticContact CG-CD1 3.97Å; Y985-W989 AromaticContact CZ-CD1 3.45Å; Y985-W989 VanDerWaalsContact CZ-CD1 3.45Å; Y985-W989 AromaticContact CZ-NE1 3.2Å; Y985-W989 PolarHBondContact O-N 2.94Å
986Y86.9Confident86.2Confident53 Ų5367.7 Ų67.721%0.20832%0.321CS..Hα-helixtrans-66.8-47.2-174.5-66.4-70.9000113.3D982 Y988 W989 N990 Y999D982-Y986 HydrophobicContact CB-CD2 4.23Å; D982-Y986 HydrophobicContact CB-CE2 3.97Å; D982-Y986 VanDerWaalsContact O-CD2 3.28Å; D982-Y986 WeakPolarHBondContact O-CD2 3.41Å; D982-Y986 PolarHBondContact O-N 3.44Å; Y986-Y988 PolarHBondContact O-N 3.47Å; Y986-W989 PolarHBondContact O-N 2.96Å; Y986-N990 WeakPolarHBondContact O-CB 3.47Å; Y986-N990 PolarHBondContact O-N 2.94Å; Y986-N990 PolarHBondContact O-ND2 3.22Å; Y986-N990 PolarHBondContact O-OD1 3.24Å; Y986-Y999 HydrophobicContact CD1-CD1 4.07Å; Y986-Y999 HydrophobicContact CD1-CG 4.1Å; Y986-Y999 AromaticContact CD2-CD1 3.75Å; Y986-Y999 HydrophobicContact CD2-CD1 3.75Å; Y986-Y999 HydrophobicContact CD2-CD2 4.24Å; Y986-Y999 AromaticContact CD2-CE1 3.47Å; Y986-Y999 HydrophobicContact CD2-CE1 3.47Å; Y986-Y999 VanDerWaalsContact CD2-CE1 3.47Å; Y986-Y999 AromaticContact CD2-CE2 4Å; Y986-Y999 HydrophobicContact CD2-CE2 4Å; Y986-Y999 HydrophobicContact CD2-CG 4.12Å; Y986-Y999 AromaticContact CD2-CZ 3.6Å; Y986-Y999 HydrophobicContact CE1-CD1 4.31Å; Y986-Y999 HydrophobicContact CE1-CD2 4.13Å; Y986-Y999 AromaticContact CE1-CG 3.9Å; Y986-Y999 HydrophobicContact CE1-CG 3.9Å; Y986-Y999 HydrophobicContact CE2-CD1 4.02Å; Y986-Y999 AromaticContact CE2-CD2 3.65Å; Y986-Y999 HydrophobicContact CE2-CD2 3.65Å; Y986-Y999 AromaticContact CE2-CE1 3.83Å; Y986-Y999 HydrophobicContact CE2-CE1 3.83Å; Y986-Y999 AromaticContact CE2-CE2 3.43Å; Y986-Y999 HydrophobicContact CE2-CE2 3.43Å; Y986-Y999 VanDerWaalsContact CE2-CE2 3.43Å; Y986-Y999 AromaticContact CE2-CG 3.93Å; Y986-Y999 HydrophobicContact CE2-CG 3.93Å; Y986-Y999 AromaticContact CE2-CZ 3.52Å; Y986-Y999 AromaticContact CG-CD1 3.77Å; Y986-Y999 HydrophobicContact CG-CD1 3.77Å; Y986-Y999 AromaticContact CG-CE1 3.92Å; Y986-Y999 HydrophobicContact CG-CE1 3.92Å; Y986-Y999 HydrophobicContact CG-CG 4.2Å; Y986-Y999 AromaticContact CZ-CD2 3.57Å; Y986-Y999 AromaticContact CZ-CE2 3.85Å; Y986-Y999 AromaticContact CZ-CG 3.8Å
987P88.5Confident86Confident1 Ų168.8 Ų68.81%0.00632%0.323CS..Hα-helixtrans-56.7-30.7173.7-31.440.6000114.7F957 Y960 V983 L991 Y1030F957-P987 HydrophobicContact CD2-CB 3.59Å; F957-P987 HydrophobicContact CE2-CB 3.54Å; F957-P987 HydrophobicContact CG-CB 4.39Å; F957-P987 HydrophobicContact CZ-CB 4.29Å; Y960-P987 HydrophobicContact CD1-CB 3.74Å; Y960-P987 HydrophobicContact CD1-CG 3.72Å; Y960-P987 HydrophobicContact CE1-CB 4.03Å; Y960-P987 HydrophobicContact CE1-CG 3.9Å; V983-P987 WeakPolarHBondContact O-CD 3.26Å; V983-P987 WeakPolarHBondContact O-CG 3.4Å; P987-L991 PolarHBondContact O-N 3.39Å; P987-Y1030 PolarHBondContact O-OH 3.23Å
988Y88.9Confident85.7Confident106 Ų10664.7 Ų64.742%0.41632%0.316SS..Hα-helixtrans-70.3-51.9-176.5178.1-99.8000110.5F957 L984 Y985 Y986 N990 L991 Y992F957-Y988 VanDerWaalsContact CE2-N 3.32Å; L984-Y988 WeakPolarHBondContact O-CB 3.38Å; L984-Y988 PolarHBondContact O-N 3.09Å; Y985-Y988 WeakPolarHBondContact O-CB 3.46Å; Y985-Y988 PolarHBondContact O-N 3.35Å; Y986-Y988 PolarHBondContact O-N 3.47Å; Y988-N990 VanDerWaalsContact C-N 3.31Å; Y988-N990 PolarHBondContact O-N 3.27Å; Y988-L991 WeakPolarHBondContact O-CB 3.23Å; Y988-L991 PolarHBondContact O-N 3.5Å; Y988-L991 VanDerWaalsContact O-N 3.16Å; Y988-Y992 HydrophobicContact CD1-CE2 4.42Å; Y988-Y992 HydrophobicContact CD2-CE2 4.24Å; Y988-Y992 HydrophobicContact CE1-CD2 4.26Å; Y988-Y992 AromaticContact CE1-CE2 3.89Å; Y988-Y992 HydrophobicContact CE1-CE2 3.89Å; Y988-Y992 AromaticContact CE2-CE2 3.68Å; Y988-Y992 HydrophobicContact CE2-CE2 3.68Å; Y988-Y992 AromaticContact CZ-CE2 3.48Å; Y988-Y992 VanDerWaalsContact CZ-CE2 3.48Å; Y988-Y992 WeakPolarHBondContact O-CD2 3.32Å
989W88.2Confident85.5Confident89 Ų8963.8 Ų63.834%0.33731%0.306SS..Hα-helixtrans-67.1-33.5177.8-67.9113.4000112.5Y985 Y986 L991 Y992 G993 E994Y985-W989 AromaticContact CD1-CD1 3.77Å; Y985-W989 AromaticContact CD2-CD1 3.94Å; Y985-W989 AromaticContact CD2-NE1 3.59Å; Y985-W989 AromaticContact CE1-CD1 3.49Å; Y985-W989 VanDerWaalsContact CE1-CD1 3.49Å; Y985-W989 AromaticContact CE1-NE1 3.77Å; Y985-W989 AromaticContact CE2-CD1 3.7Å; Y985-W989 AromaticContact CE2-NE1 3.1Å; Y985-W989 AromaticContact CG-CD1 3.97Å; Y985-W989 AromaticContact CZ-CD1 3.45Å; Y985-W989 VanDerWaalsContact CZ-CD1 3.45Å; Y985-W989 AromaticContact CZ-NE1 3.2Å; Y985-W989 PolarHBondContact O-N 2.94Å; Y986-W989 PolarHBondContact O-N 2.96Å; W989-L991 PolarHBondContact O-N 3.42Å; W989-Y992 PolarHBondContact O-N 2.9Å; W989-G993 PolarHBondContact O-N 3.39Å; W989-E994 HydrophobicContact CB-CB 4.21Å; W989-E994 PolarHBondContact O-N 2.92Å; W989-E994 VanDerWaalsContact O-N 3.13Å
990N86.8Confident85.3Confident1 Ų162.8 Ų62.81%0.00530%0.301CS..Hα-helixtrans-60-33173.1-72.7-11.3000112.5Y960 Y986 Y988 Y992 G993 E994 L995 S996 L1027 Y1030Y960-N990 PolarHBondContact OH-ND2 3.26Å; Y986-N990 WeakPolarHBondContact O-CB 3.47Å; Y986-N990 PolarHBondContact O-N 2.94Å; Y986-N990 PolarHBondContact O-ND2 3.22Å; Y986-N990 PolarHBondContact O-OD1 3.24Å; Y988-N990 VanDerWaalsContact C-N 3.31Å; Y988-N990 PolarHBondContact O-N 3.27Å; N990-Y992 VanDerWaalsContact C-N 3.29Å; N990-Y992 PolarHBondContact O-N 2.77Å; N990-G993 PolarHBondContact O-N 3.12Å; N990-E994 PolarHBondContact OD1-O 3.12Å; N990-E994 VanDerWaalsContact OD1-O 3.09Å; N990-L995 WeakPolarHBondContact OD1-CA 3.31Å; N990-S996 PolarHBondContact OD1-N 3.28Å; N990-L1027 HydrophobicContact CB-CD1 4.4Å; N990-Y1030 HydrophobicContact CB-CE1 4.1Å
991L85.4Confident85.1Confident29 Ų2963.7 Ų63.715%0.15230%0.3CS..Hα-helixtrans-64.4-34.3176-174.565.6000112.2L953 P987 Y988 W989 G993 A1034 I1039L953-L991 HydrophobicContact CD1-CD2 4.25Å; L953-L991 HydrophobicContact CD2-CD2 3.83Å; P987-L991 PolarHBondContact O-N 3.39Å; Y988-L991 WeakPolarHBondContact O-CB 3.23Å; Y988-L991 PolarHBondContact O-N 3.5Å; Y988-L991 VanDerWaalsContact O-N 3.16Å; W989-L991 PolarHBondContact O-N 3.42Å; L991-G993 VanDerWaalsContact C-N 3.31Å; L991-A1034 HydrophobicContact CD1-CB 3.9Å; L991-I1039 HydrophobicContact CD1-CD1 4.11Å
992Y84.7Confident84.6Confident152 Ų15258.1 Ų58.160%0.59628%0.283SS*.THydrogen-bonded Turntrans-87.42.2179.2-67.3-76.7000113.6Y988 W989 N990Y988-Y992 HydrophobicContact CD1-CE2 4.42Å; Y988-Y992 HydrophobicContact CD2-CE2 4.24Å; Y988-Y992 HydrophobicContact CE1-CD2 4.26Å; Y988-Y992 AromaticContact CE1-CE2 3.89Å; Y988-Y992 HydrophobicContact CE1-CE2 3.89Å; Y988-Y992 AromaticContact CE2-CE2 3.68Å; Y988-Y992 HydrophobicContact CE2-CE2 3.68Å; Y988-Y992 AromaticContact CZ-CE2 3.48Å; Y988-Y992 VanDerWaalsContact CZ-CE2 3.48Å; Y988-Y992 WeakPolarHBondContact O-CD2 3.32Å; W989-Y992 PolarHBondContact O-N 2.9Å; N990-Y992 VanDerWaalsContact C-N 3.29Å; N990-Y992 PolarHBondContact O-N 2.77Å
993G82.9Confident84Confident50 Ų5063.4 Ų63.452%0.51531%0.305SS..THydrogen-bonded Turntrans92.52.2176.100000115.2W989 N990 L991 L995W989-G993 PolarHBondContact O-N 3.39Å; N990-G993 PolarHBondContact O-N 3.12Å; L991-G993 VanDerWaalsContact C-N 3.31Å; G993-L995 PolarHBondContact O-N 3.25Å
994E86.8Confident83Confident111 Ų11165.8 Ų65.852%0.51932%0.317SS..  trans-81.376168.6-173171.6-16900109.1W989 N990 S996W989-E994 HydrophobicContact CB-CB 4.21Å; W989-E994 PolarHBondContact O-N 2.92Å; W989-E994 VanDerWaalsContact O-N 3.13Å; N990-E994 PolarHBondContact OD1-O 3.12Å; N990-E994 VanDerWaalsContact OD1-O 3.09Å; E994-S996 PolarHBondContact O-N 3.32Å
995L81.9Confident82Confident72 Ų7270.7 Ų70.738%0.37734%0.344SS..  trans-68.999.7-179.1-62.8167.6000108.4N990 G993 L997 L1027 L1031N990-L995 WeakPolarHBondContact OD1-CA 3.31Å; G993-L995 PolarHBondContact O-N 3.25Å; L995-L997 HydrophobicContact CB-CD2 4.07Å; L995-L997 HydrophobicContact CB-CG 4.05Å; L995-L997 PolarHBondContact O-N 2.86Å; L995-L1027 HydrophobicContact CD2-CD1 4.02Å; L995-L1027 HydrophobicContact CD2-CD2 4.39Å; L995-L1031 HydrophobicContact CD2-CD1 3.6Å; L995-L1031 HydrophobicContact CD2-CD2 3.92Å; L995-L1031 HydrophobicContact CD2-CG 4.29Å
996S80.1Confident81Confident28 Ų2871 Ų7120%0.19636%0.358CS..  trans-7164.7175.7-63.30000110.4N990 E994 D998 Y999 T1000N990-S996 PolarHBondContact OD1-N 3.28Å; E994-S996 PolarHBondContact O-N 3.32Å; S996-D998 PolarHBondContact O-N 3.47Å; S996-Y999 WeakPolarHBondContact O-CB 3.45Å; S996-Y999 PolarHBondContact O-N 3.25Å; S996-Y999 VanDerWaalsContact O-N 3.08Å; S996-T1000 PolarHBondContact O-N 3.03Å; S996-T1000 VanDerWaalsContact O-N 3.17Å
997L81.3Confident80Confident73 Ų7370 Ų7038%0.38236%0.357SS..Hα-helixtrans-59.3-38.4-172.1-70.4-177.5000110.8L995 Y999 T1000 F1001 L1027L995-L997 HydrophobicContact CB-CD2 4.07Å; L995-L997 HydrophobicContact CB-CG 4.05Å; L995-L997 PolarHBondContact O-N 2.86Å; L997-Y999 VanDerWaalsContact C-N 3.28Å; L997-Y999 PolarHBondContact O-N 2.78Å; L997-T1000 WeakPolarHBondContact CA-OG1 3.43Å; L997-T1000 PolarHBondContact O-N 2.93Å; L997-T1000 VanDerWaalsContact O-N 3.09Å; L997-T1000 PolarHBondContact O-OG1 3.46Å; L997-F1001 HydrophobicContact CB-CD2 3.92Å; L997-F1001 HydrophobicContact CB-CE2 4.04Å; L997-F1001 HydrophobicContact CD1-CE2 4.49Å; L997-F1001 HydrophobicContact CD2-CE2 3.92Å; L997-F1001 HydrophobicContact CG-CE2 4.36Å; L997-F1001 WeakPolarHBondContact O-CB 3.05Å; L997-F1001 WeakPolarHBondContact O-CD2 3.49Å; L997-F1001 PolarHBondContact O-N 2.98Å; L997-L1027 HydrophobicContact CD2-CD2 3.91Å
998D80.1Confident78.8Confident108 Ų10873.2 Ų73.258%0.57839%0.391SS*.Hα-helixtrans-57.3-42.5177.9-61.8-35.5000111.7S996 A1002 K1003S996-D998 PolarHBondContact O-N 3.47Å; D998-A1002 PolarHBondContact O-N 3.47Å; D998-A1002 VanDerWaalsContact O-N 3.15Å; D998-K1003 CarbonylContact C-O 3.41Å; D998-K1003 HydrophobicContact CB-CB 4.39Å; D998-K1003 PolarHBondContact O-N 2.9Å
999Y80.6Confident77.5Confident22 Ų2275.1 Ų75.19%0.08641%0.414CS..Hα-helixtrans-65.5-46.1174.1-174.5-103.7000112L964 H965 L968 Y969 Y986 S996 L997 F1001 A1002L964-Y999 HydrophobicContact CD2-CD1 4.04Å; L964-Y999 HydrophobicContact CD2-CE1 3.81Å; L964-Y999 HydrophobicContact CG-CE1 4.27Å; H965-Y999 PolarHBondContact CD2-OH 3.05Å; L968-Y999 HydrophobicContact CD1-CD1 3.82Å; L968-Y999 HydrophobicContact CD1-CE1 3.43Å; L968-Y999 VanDerWaalsContact CD1-CE1 3.43Å; L968-Y999 HydrophobicContact CD1-CE2 4.26Å; L968-Y999 HydrophobicContact CD1-CG 4.39Å; L968-Y999 WeakPolarHBondContact CD1-O 3.35Å; Y969-Y999 HydrophobicContact CE2-CE2 4.21Å; Y986-Y999 HydrophobicContact CD1-CD1 4.07Å; Y986-Y999 HydrophobicContact CD1-CG 4.1Å; Y986-Y999 AromaticContact CD2-CD1 3.75Å; Y986-Y999 HydrophobicContact CD2-CD1 3.75Å; Y986-Y999 HydrophobicContact CD2-CD2 4.24Å; Y986-Y999 AromaticContact CD2-CE1 3.47Å; Y986-Y999 HydrophobicContact CD2-CE1 3.47Å; Y986-Y999 VanDerWaalsContact CD2-CE1 3.47Å; Y986-Y999 AromaticContact CD2-CE2 4Å; Y986-Y999 HydrophobicContact CD2-CE2 4Å; Y986-Y999 HydrophobicContact CD2-CG 4.12Å; Y986-Y999 AromaticContact CD2-CZ 3.6Å; Y986-Y999 HydrophobicContact CE1-CD1 4.31Å; Y986-Y999 HydrophobicContact CE1-CD2 4.13Å; Y986-Y999 AromaticContact CE1-CG 3.9Å; Y986-Y999 HydrophobicContact CE1-CG 3.9Å; Y986-Y999 HydrophobicContact CE2-CD1 4.02Å; Y986-Y999 AromaticContact CE2-CD2 3.65Å; Y986-Y999 HydrophobicContact CE2-CD2 3.65Å; Y986-Y999 AromaticContact CE2-CE1 3.83Å; Y986-Y999 HydrophobicContact CE2-CE1 3.83Å; Y986-Y999 AromaticContact CE2-CE2 3.43Å; Y986-Y999 HydrophobicContact CE2-CE2 3.43Å; Y986-Y999 VanDerWaalsContact CE2-CE2 3.43Å; Y986-Y999 AromaticContact CE2-CG 3.93Å; Y986-Y999 HydrophobicContact CE2-CG 3.93Å; Y986-Y999 AromaticContact CE2-CZ 3.52Å; Y986-Y999 AromaticContact CG-CD1 3.77Å; Y986-Y999 HydrophobicContact CG-CD1 3.77Å; Y986-Y999 AromaticContact CG-CE1 3.92Å; Y986-Y999 HydrophobicContact CG-CE1 3.92Å; Y986-Y999 HydrophobicContact CG-CG 4.2Å; Y986-Y999 AromaticContact CZ-CD2 3.57Å; Y986-Y999 AromaticContact CZ-CE2 3.85Å; Y986-Y999 AromaticContact CZ-CG 3.8Å; S996-Y999 WeakPolarHBondContact O-CB 3.45Å; S996-Y999 PolarHBondContact O-N 3.25Å; S996-Y999 VanDerWaalsContact O-N 3.08Å; L997-Y999 VanDerWaalsContact C-N 3.28Å; L997-Y999 PolarHBondContact O-N 2.78Å; Y999-F1001 VanDerWaalsContact C-N 3.33Å; Y999-F1001 PolarHBondContact O-N 3.33Å; Y999-A1002 PolarHBondContact O-N 3.43Å
1000T80Confident76.3Confident0 Ų076.2 Ų76.20%043%0.427CS..Hα-helixtrans-69.3-28-179620000114.3L964 S996 L997 A1002 L1027L964-T1000 HydrophobicContact CD1-CG2 4.26Å; L964-T1000 HydrophobicContact CD2-CG2 4.24Å; S996-T1000 PolarHBondContact O-N 3.03Å; S996-T1000 VanDerWaalsContact O-N 3.17Å; L997-T1000 WeakPolarHBondContact CA-OG1 3.43Å; L997-T1000 PolarHBondContact O-N 2.93Å; L997-T1000 VanDerWaalsContact O-N 3.09Å; L997-T1000 PolarHBondContact O-OG1 3.46Å; T1000-A1002 VanDerWaalsContact C-N 3.34Å; T1000-L1027 HydrophobicContact CG2-CD2 4.25Å
1001F82.1Confident75.5Confident76 Ų7678.8 Ų78.833%0.33345%0.448SS..THydrogen-bonded Turntrans-92.46.9175.8-71.5-65.3000112.8L997 Y999 K1003 Y1019 P1024L997-F1001 HydrophobicContact CB-CD2 3.92Å; L997-F1001 HydrophobicContact CB-CE2 4.04Å; L997-F1001 HydrophobicContact CD1-CE2 4.49Å; L997-F1001 HydrophobicContact CD2-CE2 3.92Å; L997-F1001 HydrophobicContact CG-CE2 4.36Å; L997-F1001 WeakPolarHBondContact O-CB 3.05Å; L997-F1001 WeakPolarHBondContact O-CD2 3.49Å; L997-F1001 PolarHBondContact O-N 2.98Å; Y999-F1001 VanDerWaalsContact C-N 3.33Å; Y999-F1001 PolarHBondContact O-N 3.33Å; F1001-K1003 HydrophobicContact CB-CG 4.31Å; F1001-K1003 PolarHBondContact O-N 3.47Å; F1001-Y1019 HydrophobicContact CD1-CD2 4.49Å; F1001-Y1019 AromaticContact CD1-CE2 3.88Å; F1001-Y1019 HydrophobicContact CD1-CE2 3.88Å; F1001-P1024 HydrophobicContact CD1-CG 3.95Å; F1001-P1024 HydrophobicContact CE1-CB 4.12Å; F1001-P1024 HydrophobicContact CE1-CG 3.5Å; F1001-P1024 HydrophobicContact CZ-CB 4.41Å; F1001-P1024 HydrophobicContact CZ-CG 4.22Å
1002A78.7Confident74.9Confident21 Ų2181.8 Ų81.817%0.17446%0.464CS..THydrogen-bonded Turntrans55.731.9-178.100000113.9L968 D998 Y999 T1000 P1017L968-A1002 HydrophobicContact CD2-CB 4.09Å; D998-A1002 PolarHBondContact O-N 3.47Å; D998-A1002 VanDerWaalsContact O-N 3.15Å; Y999-A1002 PolarHBondContact O-N 3.43Å; T1000-A1002 VanDerWaalsContact C-N 3.34Å; A1002-P1017 HydrophobicContact CB-CB 3.81Å; A1002-P1017 HydrophobicContact CB-CG 3.9Å
1003K70.7Confident74.4Confident138 Ų13874.6 Ų74.660%0.644%0.436SS*.  trans-92.6104.7173.1-66.4-177.2-178.9178.50108.5D998 F1001D998-K1003 CarbonylContact C-O 3.41Å; D998-K1003 HydrophobicContact CB-CB 4.39Å; D998-K1003 PolarHBondContact O-N 2.9Å; F1001-K1003 HydrophobicContact CB-CG 4.31Å; F1001-K1003 PolarHBondContact O-N 3.47Å
1004N70.5Confident74Confident71 Ų7176 Ų7638%0.3843%0.431SS..  trans-125.7118.3174.4-165.25.1000108.9T1006 C1007N1004-T1006 PolarHBondContact ND2-OG1 2.92Å; N1004-T1006 PolarHBondContact O-N 3.05Å; N1004-T1006 PolarHBondContact OD1-OG1 2.98Å; N1004-C1007 HydrophobicContact CB-CB 4.3Å; N1004-C1007 PolarHBondContact O-N 3.42Å
1005D66.9Low73.4Confident171 Ų17176.2 Ų76.291%0.91444%0.435SS*.THydrogen-bonded Turntrans-61-21.3-173-69.4-21.2000113.2C1007D1005-C1007 VanDerWaalsContact C-N 3.34Å
1006T68.4Low73.3Confident120 Ų12073.7 Ų73.774%0.73642%0.424SS*.THydrogen-bonded Turntrans-83-11.3177.258.20000113.7N1004N1004-T1006 PolarHBondContact ND2-OG1 2.92Å; N1004-T1006 PolarHBondContact O-N 3.05Å; N1004-T1006 PolarHBondContact OD1-OG1 2.98Å
1007C65.7Low73.4Confident30 Ų3072.8 Ų72.820%0.20342%0.417CS..  trans-104.1113.7-178.9-72.10000108.8N1004 D1005 C1016N1004-C1007 HydrophobicContact CB-CB 4.3Å; N1004-C1007 PolarHBondContact O-N 3.42Å; D1005-C1007 VanDerWaalsContact C-N 3.34Å; C1007-C1016 HydrophobicContact CB-CB 3.71Å; C1007-C1016 WeakPolarHBondContact CB-SG 3.45Å; C1007-C1016 WeakPolarHBondContact SG-CA 3.39Å; C1007-C1016 WeakPolarHBondContact SG-CB 3.37Å; C1007-C1016 CovalentContact SG-SG 2.03Å; C1007-C1016 PolarHBondContact SG-SG 3.46Å
1008G64.4Low73.5Confident69 Ų6972 Ų7271%0.71141%0.413SS*.  trans-68.4-153.317300000112.5N1010G1008-N1010 PolarHBondContact O-N 3.21Å; G1008-N1010 VanDerWaalsContact O-N 3.07Å
1009T61.9Low73.7Confident146 Ų14673 Ų7390%0.89641%0.409SS*.SBendtrans-69.2-3.9-176.551.40000115.7
1010N61.5Low74Confident113 Ų11374.8 Ų74.860%0.60442%0.418SS*.  trans-108.3100.3-175-62.6-5.4000110.4G1008 D1012G1008-N1010 PolarHBondContact O-N 3.21Å; G1008-N1010 VanDerWaalsContact O-N 3.07Å; N1010-D1012 PolarHBondContact O-N 3.12Å
1011A70.5Confident74.4Confident54 Ų5481 Ų8145%0.44645%0.446SS..  trans-89.894.9176.200000110.2G1013 I1018A1011-G1013 VanDerWaalsContact C-N 3.34Å; A1011-G1013 PolarHBondContact O-N 2.93Å; A1011-I1018 HydrophobicContact CB-CG1 3.91Å
1012D74.1Confident74.8Confident93 Ų9379.7 Ų79.750%0.49744%0.442SS..  trans-81.3-10.4-172.6-60.9-17.4000113.9N971 N1010 I1014N971-D1012 PolarHBondContact ND2-O 3.19Å; N971-D1012 VanDerWaalsContact ND2-O 3.08Å; N1010-D1012 PolarHBondContact O-N 3.12Å; D1012-I1014 PolarHBondContact O-N 3.09Å; D1012-I1014 VanDerWaalsContact O-N 3.1Å
1013G74.1Confident75.3Confident0 Ų078.7 Ų78.70%043%0.433CS..SBendtrans68.24.9-178.300000114.8Y969 N971 A1011 C1016Y969-G1013 CarbonylContact C-O 3.59Å; Y969-G1013 WeakPolarHBondContact CA-O 3.41Å; N971-G1013 PolarHBondContact N-O 3.49Å; A1011-G1013 VanDerWaalsContact C-N 3.34Å; A1011-G1013 PolarHBondContact O-N 2.93Å; G1013-C1016 WeakPolarHBondContact CA-O 3.36Å; G1013-C1016 PolarHBondContact N-O 3.5Å
1014I74.7Confident76.1Confident80 Ų8073.6 Ų73.641%0.4141%0.414SS..SBendtrans-109.3-54.4177.3-58.4174.8000110.5N971 R972 D1012N971-I1014 HydrophobicContact CB-CD1 4.35Å; N971-I1014 HydrophobicContact CB-CG1 3.62Å; R972-I1014 PolarHBondContact NE-O 3.48Å; R972-I1014 PolarHBondContact NH2-O 2.9Å; D1012-I1014 PolarHBondContact O-N 3.09Å; D1012-I1014 VanDerWaalsContact O-N 3.1Å
1015N73.6Confident77.1Confident115 Ų11574.1 Ų74.162%0.61542%0.417SS*.SBendtrans-111.9-26179.1-67.8-27.3000112.6
1016C80.2Confident78.3Confident20 Ų2068.5 Ų68.514%0.13538%0.384CS..SBendtrans-114.1131177-70.70000110.2C1007 G1013C1007-C1016 HydrophobicContact CB-CB 3.71Å; C1007-C1016 WeakPolarHBondContact CB-SG 3.45Å; C1007-C1016 WeakPolarHBondContact SG-CA 3.39Å; C1007-C1016 WeakPolarHBondContact SG-CB 3.37Å; C1007-C1016 CovalentContact SG-SG 2.03Å; C1007-C1016 PolarHBondContact SG-SG 3.46Å; G1013-C1016 WeakPolarHBondContact CA-O 3.36Å; G1013-C1016 PolarHBondContact N-O 3.5Å
1017P81.8Confident79.3Confident9 Ų963.3 Ų63.36%0.05835%0.352CS..PPolyproline II helixtrans-70.6147.3-175.429.1-34.5000111.6L968 Y969 A1002L968-P1017 HydrophobicContact CB-CB 4.15Å; L968-P1017 HydrophobicContact CD2-CB 4.21Å; L968-P1017 WeakPolarHBondContact O-CA 3.43Å; Y969-P1017 HydrophobicContact CE1-CB 4.2Å; Y969-P1017 HydrophobicContact CE2-CB 4.46Å; A1002-P1017 HydrophobicContact CB-CB 3.81Å; A1002-P1017 HydrophobicContact CB-CG 3.9Å
1018I82.9Confident80.4Confident57 Ų5764.8 Ų64.829%0.29237%0.366SS..PPolyproline II helixtrans-101.8132.7174.1-62.6170.5000108.9L968 P970 A1011 H1020L968-I1018 PolarHBondContact O-N 3.38Å; P970-I1018 HydrophobicContact CG-CD1 3.93Å; A1011-I1018 HydrophobicContact CB-CG1 3.91Å; I1018-H1020 PolarHBondContact O-N 3.06Å
1019Y84.6Confident81.7Confident127 Ų12765.4 Ų65.450%0.49835%0.352SS..PPolyproline II helixtrans-67128.5175.7174.2-103.1000111.3F1001 P1024F1001-Y1019 HydrophobicContact CD1-CD2 4.49Å; F1001-Y1019 AromaticContact CD1-CE2 3.88Å; F1001-Y1019 HydrophobicContact CD1-CE2 3.88Å; Y1019-P1024 HydrophobicContact CE2-CG 4.22Å
1020H87.6Confident83.2Confident61 Ų6158.9 Ų58.928%0.28231%0.311SS..  trans-128.3133.1172.5-165.1-82000110.5L967 I1018 L1022 C1023 P1024L967-H1020 HydrophobicContact CB-CB 4.47Å; I1018-H1020 PolarHBondContact O-N 3.06Å; H1020-L1022 VanDerWaalsContact CE1-CD1 3.48Å; H1020-L1022 WeakPolarHBondContact CE1-CD1 3.33Å; H1020-L1022 VanDerWaalsContact CE1-CG 3.46Å; H1020-L1022 WeakPolarHBondContact CE1-CG 3.49Å; H1020-L1022 WeakPolarHBondContact ND1-CB 3.33Å; H1020-L1022 PolarHBondContact ND1-N 3.16Å; H1020-L1022 VanDerWaalsContact ND1-N 3.16Å; H1020-L1022 PolarHBondContact O-N 3.44Å; H1020-L1022 VanDerWaalsContact O-N 3.16Å; H1020-C1023 WeakPolarHBondContact O-CB 3.43Å; H1020-C1023 PolarHBondContact O-N 3.45Å; H1020-P1024 WeakPolarHBondContact O-CD 3.22Å
1021F88.7Confident84.5Confident131 Ų13156 Ų5658%0.57530%0.295SS*.THydrogen-bonded Turntrans-62.9-25.4-175.578-86000113.7C1023 P1024F1021-C1023 VanDerWaalsContact C-N 3.29Å; F1021-C1023 PolarHBondContact O-N 2.74Å; F1021-P1024 WeakPolarHBondContact O-CD 3.39Å
1022L90.1Very high85.4Confident47 Ų4759 Ų5925%0.24630%0.301CS..Hα-helixtrans-69.9-22.8175.4-66.7174.8000113L967 H1020 L1025 F1026L967-L1022 HydrophobicContact CD1-CB 3.94Å; H1020-L1022 VanDerWaalsContact CE1-CD1 3.48Å; H1020-L1022 WeakPolarHBondContact CE1-CD1 3.33Å; H1020-L1022 VanDerWaalsContact CE1-CG 3.46Å; H1020-L1022 WeakPolarHBondContact CE1-CG 3.49Å; H1020-L1022 WeakPolarHBondContact ND1-CB 3.33Å; H1020-L1022 PolarHBondContact ND1-N 3.16Å; H1020-L1022 VanDerWaalsContact ND1-N 3.16Å; H1020-L1022 PolarHBondContact O-N 3.44Å; H1020-L1022 VanDerWaalsContact O-N 3.16Å; L1022-L1025 HydrophobicContact CD2-CD2 4.33Å; L1022-L1025 PolarHBondContact O-N 3.31Å; L1022-F1026 HydrophobicContact CB-CE1 4.36Å; L1022-F1026 HydrophobicContact CB-CE2 4.39Å; L1022-F1026 HydrophobicContact CB-CZ 4.28Å; L1022-F1026 HydrophobicContact CD1-CZ 4.24Å; L1022-F1026 HydrophobicContact CD2-CE1 4.38Å; L1022-F1026 WeakPolarHBondContact O-CB 3.09Å; L1022-F1026 WeakPolarHBondContact O-CG 3.28Å; L1022-F1026 PolarHBondContact O-N 3.25Å
1023C88.7Confident86.2Confident0 Ų057.8 Ų57.80%029%0.294CS..Hα-helixtrans-63.6-50.1-176.2-650000112.3L964 L967 H1020 F1021 L1025 F1026 L1027L964-C1023 HydrophobicContact CD1-CB 3.76Å; L967-C1023 VanDerWaalsContact CB-SG 3.53Å; H1020-C1023 WeakPolarHBondContact O-CB 3.43Å; H1020-C1023 PolarHBondContact O-N 3.45Å; F1021-C1023 VanDerWaalsContact C-N 3.29Å; F1021-C1023 PolarHBondContact O-N 2.74Å; C1023-L1025 VanDerWaalsContact C-N 3.29Å; C1023-L1025 PolarHBondContact O-N 3.29Å; C1023-F1026 PolarHBondContact O-N 3.04Å; C1023-L1027 PolarHBondContact O-N 3.19Å
1024P88.1Confident86.9Confident31 Ų3157.8 Ų57.820%0.20129%0.294CS..Hα-helixtrans-62.3-34171.8-2434000113.6F1001 Y1019 H1020 F1021 L1027 A1028F1001-P1024 HydrophobicContact CD1-CG 3.95Å; F1001-P1024 HydrophobicContact CE1-CB 4.12Å; F1001-P1024 HydrophobicContact CE1-CG 3.5Å; F1001-P1024 HydrophobicContact CZ-CB 4.41Å; F1001-P1024 HydrophobicContact CZ-CG 4.22Å; Y1019-P1024 HydrophobicContact CE2-CG 4.22Å; H1020-P1024 WeakPolarHBondContact O-CD 3.22Å; F1021-P1024 WeakPolarHBondContact O-CD 3.39Å; P1024-L1027 WeakPolarHBondContact O-CB 3.25Å; P1024-L1027 PolarHBondContact O-N 3.48Å; P1024-A1028 PolarHBondContact O-N 2.95Å
1025L90.7Very high87.2Confident82 Ų8255.1 Ų55.143%0.42929%0.286SS..Hα-helixtrans-68.9-42.1178.9-175.6141000111.6L1022 C1023 L1027 A1028 M1029L1022-L1025 HydrophobicContact CD2-CD2 4.33Å; L1022-L1025 PolarHBondContact O-N 3.31Å; C1023-L1025 VanDerWaalsContact C-N 3.29Å; C1023-L1025 PolarHBondContact O-N 3.29Å; L1025-L1027 VanDerWaalsContact C-N 3.35Å; L1025-A1028 PolarHBondContact O-N 3.26Å; L1025-M1029 HydrophobicContact CD2-CE 3.64Å; L1025-M1029 HydrophobicContact CD2-SD 4.12Å; L1025-M1029 WeakPolarHBondContact O-CG 3.31Å; L1025-M1029 PolarHBondContact O-N 3.02Å
1026F92Very high87.8Confident53 Ų5353.4 Ų53.423%0.23228%0.28CS..Hα-helixtrans-65.2-38.2173.6-73.1-3000111.6Y960 L967 L1022 C1023 M1029 Y1030Y960-F1026 HydrophobicContact CD2-CB 4.17Å; Y960-F1026 HydrophobicContact CE2-CB 4.14Å; L967-F1026 HydrophobicContact CD1-CD2 3.82Å; L967-F1026 HydrophobicContact CD1-CE2 3.57Å; L1022-F1026 HydrophobicContact CB-CE1 4.36Å; L1022-F1026 HydrophobicContact CB-CE2 4.39Å; L1022-F1026 HydrophobicContact CB-CZ 4.28Å; L1022-F1026 HydrophobicContact CD1-CZ 4.24Å; L1022-F1026 HydrophobicContact CD2-CE1 4.38Å; L1022-F1026 WeakPolarHBondContact O-CB 3.09Å; L1022-F1026 WeakPolarHBondContact O-CG 3.28Å; L1022-F1026 PolarHBondContact O-N 3.25Å; C1023-F1026 PolarHBondContact O-N 3.04Å; F1026-M1029 HydrophobicContact CD1-CE 3.4Å; F1026-M1029 HydrophobicContact CE1-CE 3.8Å; F1026-M1029 HydrophobicContact CG-CE 4.46Å; F1026-M1029 PolarHBondContact O-N 3.45Å; F1026-Y1030 VanDerWaalsContact O-CB 3.23Å; F1026-Y1030 WeakPolarHBondContact O-CB 3.49Å; F1026-Y1030 PolarHBondContact O-N 2.7Å
1027L90Very high88.2Confident12 Ų1257.8 Ų57.86%0.06330%0.301CS..Hα-helixtrans-59.3-48.5171.4176.268.2000111Y960 N990 L995 L997 T1000 C1023 P1024 L1025 M1029 Y1030 L1031Y960-L1027 HydrophobicContact CE2-CB 4.37Å; Y960-L1027 VanDerWaalsContact OH-CD1 3.25Å; Y960-L1027 WeakPolarHBondContact OH-CD1 3.4Å; N990-L1027 HydrophobicContact CB-CD1 4.4Å; L995-L1027 HydrophobicContact CD2-CD1 4.02Å; L995-L1027 HydrophobicContact CD2-CD2 4.39Å; L997-L1027 HydrophobicContact CD2-CD2 3.91Å; T1000-L1027 HydrophobicContact CG2-CD2 4.25Å; C1023-L1027 PolarHBondContact O-N 3.19Å; P1024-L1027 WeakPolarHBondContact O-CB 3.25Å; P1024-L1027 PolarHBondContact O-N 3.48Å; L1025-L1027 VanDerWaalsContact C-N 3.35Å; L1027-M1029 PolarHBondContact O-N 3.41Å; L1027-Y1030 PolarHBondContact O-N 3.07Å; L1027-L1031 HydrophobicContact CD1-CD1 4.17Å; L1027-L1031 HydrophobicContact CD1-CG 4.23Å; L1027-L1031 HydrophobicContact CG-CD1 4.1Å; L1027-L1031 VanDerWaalsContact O-CG 3.31Å; L1027-L1031 WeakPolarHBondContact O-CG 3.23Å; L1027-L1031 PolarHBondContact O-N 3.35Å
1028A89.3Confident88.6Confident60 Ų6058 Ų5850%0.49630%0.302SS..Hα-helixtrans-60.8-44.2178.700000112.2P1024 L1025 L1031 M1032P1024-A1028 PolarHBondContact O-N 2.95Å; L1025-A1028 PolarHBondContact O-N 3.26Å; A1028-L1031 PolarHBondContact O-N 3.46Å; A1028-M1032 PolarHBondContact O-N 2.91Å
1029M91.5Very high88.7Confident83 Ų8358.3 Ų58.341%0.40930%0.304SS..Hα-helixtrans-64.9-41.4175.4-71.1-167.3-54.600112.3L1025 F1026 L1027 M1032 I1033L1025-M1029 HydrophobicContact CD2-CE 3.64Å; L1025-M1029 HydrophobicContact CD2-SD 4.12Å; L1025-M1029 WeakPolarHBondContact O-CG 3.31Å; L1025-M1029 PolarHBondContact O-N 3.02Å; F1026-M1029 HydrophobicContact CD1-CE 3.4Å; F1026-M1029 HydrophobicContact CE1-CE 3.8Å; F1026-M1029 HydrophobicContact CG-CE 4.46Å; F1026-M1029 PolarHBondContact O-N 3.45Å; L1027-M1029 PolarHBondContact O-N 3.41Å; M1029-M1032 PolarHBondContact O-N 3.26Å; M1029-I1033 WeakPolarHBondContact O-CG1 3.33Å; M1029-I1033 PolarHBondContact O-N 2.89Å
1030Y92.2Very high88.9Confident8 Ų857 Ų573%0.03131%0.305CS..Hα-helixtrans-60.9-46176.1171-106.7000111.5V956 Y960 P987 N990 F1026 L1027 M1032 I1033 A1034V956-Y1030 HydrophobicContact CG1-CD2 4.2Å; V956-Y1030 HydrophobicContact CG1-CE2 4.41Å; Y960-Y1030 AromaticContact CD1-CD1 3.82Å; Y960-Y1030 HydrophobicContact CD1-CD1 3.82Å; Y960-Y1030 AromaticContact CD1-CD2 3.83Å; Y960-Y1030 HydrophobicContact CD1-CD2 3.83Å; Y960-Y1030 HydrophobicContact CD1-CE1 4.09Å; Y960-Y1030 HydrophobicContact CD1-CE2 4.12Å; Y960-Y1030 AromaticContact CD1-CG 3.67Å; Y960-Y1030 HydrophobicContact CD1-CG 3.67Å; Y960-Y1030 HydrophobicContact CD2-CG 4.19Å; Y960-Y1030 AromaticContact CE1-CD1 3.86Å; Y960-Y1030 HydrophobicContact CE1-CD1 3.86Å; Y960-Y1030 HydrophobicContact CE1-CE1 4.18Å; Y960-Y1030 HydrophobicContact CE1-CG 4.11Å; Y960-Y1030 HydrophobicContact CG-CD1 4.31Å; Y960-Y1030 AromaticContact CG-CD2 3.81Å; Y960-Y1030 HydrophobicContact CG-CD2 3.81Å; Y960-Y1030 HydrophobicContact CG-CE2 4.46Å; Y960-Y1030 AromaticContact CG-CG 3.71Å; Y960-Y1030 HydrophobicContact CG-CG 3.71Å; P987-Y1030 PolarHBondContact O-OH 3.23Å; N990-Y1030 HydrophobicContact CB-CE1 4.1Å; F1026-Y1030 VanDerWaalsContact O-CB 3.23Å; F1026-Y1030 WeakPolarHBondContact O-CB 3.49Å; F1026-Y1030 PolarHBondContact O-N 2.7Å; L1027-Y1030 PolarHBondContact O-N 3.07Å; Y1030-M1032 VanDerWaalsContact C-N 3.31Å; Y1030-M1032 PolarHBondContact O-N 3.3Å; Y1030-I1033 PolarHBondContact O-N 3.41Å; Y1030-A1034 HydrophobicContact CD2-CB 3.89Å; Y1030-A1034 HydrophobicContact CE2-CB 3.54Å; Y1030-A1034 WeakPolarHBondContact O-CA 3.38Å; Y1030-A1034 VanDerWaalsContact O-CB 3.28Å; Y1030-A1034 WeakPolarHBondContact O-CB 3.47Å; Y1030-A1034 PolarHBondContact O-N 3.07Å
1031L89.7Confident89Confident53 Ų5358 Ų5828%0.27731%0.313SS..Iπ-helixtrans-64.3-35.8177.4-67.3171.9000112.4L995 L1027 A1028 G1035 T1036L995-L1031 HydrophobicContact CD2-CD1 3.6Å; L995-L1031 HydrophobicContact CD2-CD2 3.92Å; L995-L1031 HydrophobicContact CD2-CG 4.29Å; L1027-L1031 HydrophobicContact CD1-CD1 4.17Å; L1027-L1031 HydrophobicContact CD1-CG 4.23Å; L1027-L1031 HydrophobicContact CG-CD1 4.1Å; L1027-L1031 VanDerWaalsContact O-CG 3.31Å; L1027-L1031 WeakPolarHBondContact O-CG 3.23Å; L1027-L1031 PolarHBondContact O-N 3.35Å; A1028-L1031 PolarHBondContact O-N 3.46Å; L1031-G1035 CarbonylContact O-C 3.57Å; L1031-G1035 WeakPolarHBondContact O-CA 3.33Å; L1031-G1035 PolarHBondContact O-N 3.46Å; L1031-T1036 PolarHBondContact O-N 2.82Å
1032M89.8Confident89Confident116 Ų11653 Ų5357%0.57129%0.292SS*.Iπ-helixtrans-67.5-46.6173.9-170.7-1787000111.6A1028 M1029 Y1030 T1036 L1037A1028-M1032 PolarHBondContact O-N 2.91Å; M1029-M1032 PolarHBondContact O-N 3.26Å; Y1030-M1032 VanDerWaalsContact C-N 3.31Å; Y1030-M1032 PolarHBondContact O-N 3.3Å; M1032-T1036 PolarHBondContact O-N 2.93Å; M1032-T1036 PolarHBondContact O-OG1 3.08Å; M1032-L1037 PolarHBondContact O-N 3.33Å
1033I90.8Very high89Confident69 Ų6955.5 Ų55.535%0.35430%0.304SS..Iπ-helixtrans-75.3-55.7-177.1-63.4169.1000110.9V956 M1029 Y1030 L1037 L1038V956-I1033 HydrophobicContact CG1-CG2 4.13Å; M1029-I1033 WeakPolarHBondContact O-CG1 3.33Å; M1029-I1033 PolarHBondContact O-N 2.89Å; Y1030-I1033 PolarHBondContact O-N 3.41Å; I1033-L1037 VanDerWaalsContact O-CB 3.3Å; I1033-L1037 WeakPolarHBondContact O-CB 3.35Å; I1033-L1037 PolarHBondContact O-N 3.3Å; I1033-L1038 WeakPolarHBondContact O-CG 3.36Å; I1033-L1038 PolarHBondContact O-N 3.48Å
1034A87.4Confident89Confident0 Ų058.1 Ų58.10%033%0.325CS..Iπ-helixtrans-75.7-47.4-176.600000111.9L953 V956 L991 Y1030 I1039L953-A1034 HydrophobicContact CD1-CB 4.31Å; V956-A1034 HydrophobicContact CG1-CB 4.47Å; L991-A1034 HydrophobicContact CD1-CB 3.9Å; Y1030-A1034 HydrophobicContact CD2-CB 3.89Å; Y1030-A1034 HydrophobicContact CE2-CB 3.54Å; Y1030-A1034 WeakPolarHBondContact O-CA 3.38Å; Y1030-A1034 VanDerWaalsContact O-CB 3.28Å; Y1030-A1034 WeakPolarHBondContact O-CB 3.47Å; Y1030-A1034 PolarHBondContact O-N 3.07Å; A1034-I1039 WeakPolarHBondContact O-CG1 3.37Å; A1034-I1039 PolarHBondContact O-N 3.43Å
1035G82.4Confident89Confident24 Ų2458.9 Ų58.925%0.24733%0.327CS..Iπ-helixtrans-75.5-44.3-174.800000114.2L1031 I1039L1031-G1035 CarbonylContact O-C 3.57Å; L1031-G1035 WeakPolarHBondContact O-CA 3.33Å; L1031-G1035 PolarHBondContact O-N 3.46Å; G1035-I1039 WeakPolarHBondContact O-CB 3.38Å
1036T85.9Confident89Confident78 Ų7857.4 Ų57.448%0.47932%0.318SS..Iπ-helixtrans-98.5-42.7-177.174.30000113.6L1031 M1032 N1040L1031-T1036 PolarHBondContact O-N 2.82Å; M1032-T1036 PolarHBondContact O-N 2.93Å; M1032-T1036 PolarHBondContact O-OG1 3.08Å; T1036-N1040 VanDerWaalsContact O-CB 3.22Å; T1036-N1040 WeakPolarHBondContact O-CB 3.48Å; T1036-N1040 PolarHBondContact O-ND2 3.4Å
1037L88.7Confident88.8Confident112 Ų11264.2 Ų64.259%0.58634%0.342SS*.Iπ-helixtrans-77.7-57.8-179.5-17881.3000112M1032 I1033 N1040 L1041M1032-L1037 PolarHBondContact O-N 3.33Å; I1033-L1037 VanDerWaalsContact O-CB 3.3Å; I1033-L1037 WeakPolarHBondContact O-CB 3.35Å; I1033-L1037 PolarHBondContact O-N 3.3Å; L1037-N1040 PolarHBondContact O-N 2.78Å; L1037-L1041 PolarHBondContact O-N 2.95Å
1038L89Confident88.6Confident13 Ų1371.2 Ų71.27%0.06837%0.368CS..Iπ-helixtrans-68-43.6-171.7-71.5-178.2000112.4F949 I952 L953 V956 I1033 N1040 L1041 L1042F949-L1038 HydrophobicContact CE2-CB 4.2Å; F949-L1038 HydrophobicContact CE2-CD2 4.28Å; F949-L1038 WeakPolarHBondContact CE2-O 3.38Å; F949-L1038 HydrophobicContact CZ-CB 3.8Å; F949-L1038 WeakPolarHBondContact CZ-O 3.49Å; I952-L1038 HydrophobicContact CG2-CD2 4.2Å; L953-L1038 HydrophobicContact CD1-CD1 4.1Å; V956-L1038 HydrophobicContact CB-CD1 4.43Å; V956-L1038 HydrophobicContact CG2-CD1 4.06Å; I1033-L1038 WeakPolarHBondContact O-CG 3.36Å; I1033-L1038 PolarHBondContact O-N 3.48Å; L1038-N1040 VanDerWaalsContact C-N 3.33Å; L1038-N1040 PolarHBondContact O-N 3.01Å; L1038-L1041 WeakPolarHBondContact O-CB 3.34Å; L1038-L1041 PolarHBondContact O-N 3.41Å; L1038-L1042 PolarHBondContact O-N 3.24Å
1039I86Confident88.3Confident65 Ų6568.9 Ų68.933%0.33335%0.349SS..Hα-helixtrans-62.2-40.9176.1-65.6175.8000111.3L991 A1034 G1035 L1041 L1042 I1043L991-I1039 HydrophobicContact CD1-CD1 4.11Å; A1034-I1039 WeakPolarHBondContact O-CG1 3.37Å; A1034-I1039 PolarHBondContact O-N 3.43Å; G1035-I1039 WeakPolarHBondContact O-CB 3.38Å; I1039-L1041 VanDerWaalsContact C-N 3.33Å; I1039-L1041 PolarHBondContact O-N 3.41Å; I1039-L1042 WeakPolarHBondContact O-CB 3.43Å; I1039-L1042 PolarHBondContact O-N 2.94Å; I1039-I1043 HydrophobicContact CG2-CD1 4.22Å; I1039-I1043 WeakPolarHBondContact O-CG1 3.46Å; I1039-I1043 PolarHBondContact O-N 3.01Å
1040N88.8Confident87.9Confident98 Ų9868.3 Ų68.352%0.52435%0.347SS..Hα-helixtrans-66.5-35.1176.3-77.1-30.8000112.4T1036 L1037 L1038 L1042 I1043 A1044T1036-N1040 VanDerWaalsContact O-CB 3.22Å; T1036-N1040 WeakPolarHBondContact O-CB 3.48Å; T1036-N1040 PolarHBondContact O-ND2 3.4Å; L1037-N1040 PolarHBondContact O-N 2.78Å; L1038-N1040 VanDerWaalsContact C-N 3.33Å; L1038-N1040 PolarHBondContact O-N 3.01Å; N1040-L1042 VanDerWaalsContact C-N 3.34Å; N1040-I1043 PolarHBondContact O-N 3.48Å; N1040-A1044 PolarHBondContact O-N 3.48Å
1041L89.3Confident87.4Confident84 Ų8474 Ų7444%0.4437%0.372SS..Hα-helixtrans-62.6-42172-178.164.5000111.3L1037 L1038 I1039 I1043 A1044 I1045L1037-L1041 PolarHBondContact O-N 2.95Å; L1038-L1041 WeakPolarHBondContact O-CB 3.34Å; L1038-L1041 PolarHBondContact O-N 3.41Å; I1039-L1041 VanDerWaalsContact C-N 3.33Å; I1039-L1041 PolarHBondContact O-N 3.41Å; L1041-I1043 VanDerWaalsContact C-N 3.34Å; L1041-I1043 PolarHBondContact O-N 3.29Å; L1041-A1044 WeakPolarHBondContact O-CB 3.5Å; L1041-A1044 PolarHBondContact O-N 3.1Å; L1041-A1044 VanDerWaalsContact O-N 3.13Å; L1041-I1045 HydrophobicContact CG-CD1 4.12Å; L1041-I1045 WeakPolarHBondContact O-CG1 2.99Å; L1041-I1045 PolarHBondContact O-N 3.13Å
1042L89.4Confident86.8Confident26 Ų2673.8 Ų73.814%0.13637%0.373CS..Hα-helixtrans-61.1-43.2175.6-17663.7000111.7L946 F949 L1038 I1039 N1040 A1044 I1045 F1046L946-L1042 HydrophobicContact CD1-CD1 3.88Å; L946-L1042 HydrophobicContact CD1-CD2 3.86Å; F949-L1042 HydrophobicContact CB-CD1 4.16Å; F949-L1042 HydrophobicContact CD1-CB 4.43Å; F949-L1042 HydrophobicContact CD1-CD1 3.85Å; F949-L1042 HydrophobicContact CD1-CD2 4.13Å; F949-L1042 HydrophobicContact CD1-CG 4.36Å; F949-L1042 HydrophobicContact CD2-CB 4.43Å; F949-L1042 HydrophobicContact CD2-CD1 4.29Å; F949-L1042 HydrophobicContact CE1-CB 4.05Å; F949-L1042 HydrophobicContact CE1-CD1 4.29Å; F949-L1042 HydrophobicContact CE1-CD2 3.94Å; F949-L1042 HydrophobicContact CE1-CG 4.32Å; F949-L1042 HydrophobicContact CE2-CB 4.05Å; F949-L1042 HydrophobicContact CG-CD1 3.84Å; F949-L1042 HydrophobicContact CZ-CB 3.83Å; L1038-L1042 PolarHBondContact O-N 3.24Å; I1039-L1042 WeakPolarHBondContact O-CB 3.43Å; I1039-L1042 PolarHBondContact O-N 2.94Å; N1040-L1042 VanDerWaalsContact C-N 3.34Å; L1042-A1044 VanDerWaalsContact C-N 3.28Å; L1042-A1044 PolarHBondContact O-N 3.08Å; L1042-I1045 PolarHBondContact O-N 3.28Å; L1042-F1046 HydrophobicContact CD1-CD1 4.27Å; L1042-F1046 HydrophobicContact CD1-CE1 3.66Å; L1042-F1046 HydrophobicContact CD1-CE2 4.01Å; L1042-F1046 HydrophobicContact CD1-CZ 3.53Å; L1042-F1046 HydrophobicContact CD2-CE2 4.02Å; L1042-F1046 HydrophobicContact CD2-CZ 4.1Å; L1042-F1046 HydrophobicContact CG-CD2 4.21Å; L1042-F1046 HydrophobicContact CG-CE1 4.29Å; L1042-F1046 HydrophobicContact CG-CE2 3.72Å; L1042-F1046 HydrophobicContact CG-CZ 3.78Å; L1042-F1046 WeakPolarHBondContact O-CG 3.45Å; L1042-F1046 PolarHBondContact O-N 2.98Å
1043I89Confident86Confident99 Ų9970.7 Ų70.751%0.50836%0.358SS..Hα-helixtrans-59.3-41174.2-65.5167000110.6I1039 N1040 L1041 F1046 R1047I1039-I1043 HydrophobicContact CG2-CD1 4.22Å; I1039-I1043 WeakPolarHBondContact O-CG1 3.46Å; I1039-I1043 PolarHBondContact O-N 3.01Å; N1040-I1043 PolarHBondContact O-N 3.48Å; L1041-I1043 VanDerWaalsContact C-N 3.34Å; L1041-I1043 PolarHBondContact O-N 3.29Å; I1043-F1046 PolarHBondContact O-N 3.2Å; I1043-R1047 WeakPolarHBondContact O-CB 3.5Å; I1043-R1047 PolarHBondContact O-N 3.09Å
1044A89.5Confident85Confident54 Ų5474.5 Ų74.545%0.44637%0.369SS..Hα-helixtrans-65.4-43.3177.100000112.6N1040 L1041 L1042 R1047 Y1048N1040-A1044 PolarHBondContact O-N 3.48Å; L1041-A1044 WeakPolarHBondContact O-CB 3.5Å; L1041-A1044 PolarHBondContact O-N 3.1Å; L1041-A1044 VanDerWaalsContact O-N 3.13Å; L1042-A1044 VanDerWaalsContact C-N 3.28Å; L1042-A1044 PolarHBondContact O-N 3.08Å; A1044-R1047 PolarHBondContact O-N 3.08Å; A1044-Y1048 PolarHBondContact O-N 3.33Å
1045I88.5Confident83.9Confident47 Ų4779.2 Ų79.224%0.24139%0.394CS..Hα-helixtrans-61.7-45.2176.3-67.8166000110.6E945 L1041 L1042 R1047 Y1048 C1049E945-I1045 HydrophobicContact CB-CG2 3.98Å; E945-I1045 HydrophobicContact CG-CG2 4.31Å; L1041-I1045 HydrophobicContact CG-CD1 4.12Å; L1041-I1045 WeakPolarHBondContact O-CG1 2.99Å; L1041-I1045 PolarHBondContact O-N 3.13Å; L1042-I1045 PolarHBondContact O-N 3.28Å; I1045-R1047 VanDerWaalsContact C-N 3.33Å; I1045-R1047 PolarHBondContact O-N 3.27Å; I1045-Y1048 WeakPolarHBondContact O-CB 2.99Å; I1045-Y1048 PolarHBondContact O-N 3.27Å; I1045-C1049 PolarHBondContact O-N 3.27Å; I1045-C1049 PolarHBondContact O-SG 3.18Å
1046F88.8Confident82.8Confident52 Ų5283.3 Ų83.323%0.22841%0.409CS..Hα-helixtrans-62.1-41176.2-69.5-15.9000112M942 L946 L1042 I1043 Y1048 C1049 L1050M942-F1046 HydrophobicContact CB-CD1 3.99Å; M942-F1046 HydrophobicContact CB-CE1 3.91Å; M942-F1046 HydrophobicContact CE-CB 4.24Å; M942-F1046 HydrophobicContact CG-CD1 4Å; M942-F1046 HydrophobicContact CG-CE1 4.42Å; M942-F1046 HydrophobicContact SD-CB 4.44Å; M942-F1046 HydrophobicContact SD-CD1 4.35Å; M942-F1046 HydrophobicContact SD-CG 4.31Å; L946-F1046 HydrophobicContact CB-CE1 4.3Å; L946-F1046 HydrophobicContact CB-CZ 4.27Å; L946-F1046 HydrophobicContact CD1-CZ 4.18Å; L1042-F1046 HydrophobicContact CD1-CD1 4.27Å; L1042-F1046 HydrophobicContact CD1-CE1 3.66Å; L1042-F1046 HydrophobicContact CD1-CE2 4.01Å; L1042-F1046 HydrophobicContact CD1-CZ 3.53Å; L1042-F1046 HydrophobicContact CD2-CE2 4.02Å; L1042-F1046 HydrophobicContact CD2-CZ 4.1Å; L1042-F1046 HydrophobicContact CG-CD2 4.21Å; L1042-F1046 HydrophobicContact CG-CE1 4.29Å; L1042-F1046 HydrophobicContact CG-CE2 3.72Å; L1042-F1046 HydrophobicContact CG-CZ 3.78Å; L1042-F1046 WeakPolarHBondContact O-CG 3.45Å; L1042-F1046 PolarHBondContact O-N 2.98Å; I1043-F1046 PolarHBondContact O-N 3.2Å; F1046-Y1048 VanDerWaalsContact C-N 3.32Å; F1046-Y1048 PolarHBondContact O-N 2.98Å; F1046-C1049 PolarHBondContact O-N 3.17Å; F1046-L1050 VanDerWaalsContact O-CG 3.28Å; F1046-L1050 WeakPolarHBondContact O-CG 3.34Å; F1046-L1050 PolarHBondContact O-N 3.15Å
1047R87.7Confident81.2Confident196 Ų19687.6 Ų87.674%0.7442%0.421SS*.Hα-helixtrans-62.6-38.9175.2-170.3177.6179.2-151.1-0.9112.3I1043 A1044 I1045 F1051I1043-R1047 WeakPolarHBondContact O-CB 3.5Å; I1043-R1047 PolarHBondContact O-N 3.09Å; A1044-R1047 PolarHBondContact O-N 3.08Å; I1045-R1047 VanDerWaalsContact C-N 3.33Å; I1045-R1047 PolarHBondContact O-N 3.27Å; R1047-F1051 PolarHBondContact O-N 2.8Å; R1047-F1051 VanDerWaalsContact O-N 3.16Å
1048Y86.9Confident79.1Confident158 Ų15889.1 Ų89.162%0.6243%0.434SS*.Hα-helixtrans-64.5-47.9175.2177.3-101.9000111.9A1044 I1045 F1046 L1050 F1051 T1052A1044-Y1048 PolarHBondContact O-N 3.33Å; I1045-Y1048 WeakPolarHBondContact O-CB 2.99Å; I1045-Y1048 PolarHBondContact O-N 3.27Å; F1046-Y1048 VanDerWaalsContact C-N 3.32Å; F1046-Y1048 PolarHBondContact O-N 2.98Å; Y1048-L1050 VanDerWaalsContact C-N 3.3Å; Y1048-L1050 PolarHBondContact O-N 3.41Å; Y1048-F1051 PolarHBondContact O-N 3.09Å; Y1048-F1051 VanDerWaalsContact O-N 3.08Å; Y1048-T1052 PolarHBondContact O-N 2.89Å; Y1048-T1052 PolarHBondContact O-OG1 3.21Å; Y1048-T1052 VanDerWaalsContact O-OG1 3.14Å
1049C83.8Confident78.6Confident12 Ų1292.9 Ų92.98%0.08145%0.453CS..Hα-helixtrans-58.6-42.1177.4-65.80000112.2M942 I1045 F1046 F1051 T1052 I1053M942-C1049 HydrophobicContact CG-CB 4.5Å; I1045-C1049 PolarHBondContact O-N 3.27Å; I1045-C1049 PolarHBondContact O-SG 3.18Å; F1046-C1049 PolarHBondContact O-N 3.17Å; C1049-F1051 VanDerWaalsContact C-N 3.32Å; C1049-F1051 PolarHBondContact O-N 3.37Å; C1049-T1052 PolarHBondContact O-N 2.96Å; C1049-I1053 VanDerWaalsContact O-CG1 3.31Å; C1049-I1053 WeakPolarHBondContact O-CG1 3.41Å; C1049-I1053 PolarHBondContact O-N 2.03Å; C1049-I1053 VanDerWaalsContact O-N 3.11Å
1050L82Confident78.2Confident71 Ų7194.4 Ų94.437%0.37246%0.459SS..Hα-helixtrans-56.1-47.3173.8-74.6171.6000112.1M938 M942 F1046 Y1048 I1053 Y1054M938-L1050 HydrophobicContact CE-CD2 3.56Å; M938-L1050 HydrophobicContact CG-CD2 3.6Å; M938-L1050 HydrophobicContact SD-CD2 3.03Å; M938-L1050 WeakPolarHBondContact SD-CD2 3.41Å; M938-L1050 HydrophobicContact SD-CG 4.49Å; M942-L1050 HydrophobicContact CE-CD1 3.85Å; M942-L1050 HydrophobicContact CE-CD2 3.33Å; M942-L1050 HydrophobicContact CE-CG 3.28Å; F1046-L1050 VanDerWaalsContact O-CG 3.28Å; F1046-L1050 WeakPolarHBondContact O-CG 3.34Å; F1046-L1050 PolarHBondContact O-N 3.15Å; Y1048-L1050 VanDerWaalsContact C-N 3.3Å; Y1048-L1050 PolarHBondContact O-N 3.41Å; L1050-I1053 PolarHBondContact O-N 3Å; L1050-Y1054 WeakPolarHBondContact O-CB 3.48Å; L1050-Y1054 PolarHBondContact O-N 3.16Å
1051F82.3Confident77.6Confident126 Ų12694.2 Ų94.255%0.55346%0.455SS*.Hα-helixtrans-66.9-42.8-176.8-172.9-104.4000112R1047 Y1048 C1049 I1053 Y1054 L1055R1047-F1051 PolarHBondContact O-N 2.8Å; R1047-F1051 VanDerWaalsContact O-N 3.16Å; Y1048-F1051 PolarHBondContact O-N 3.09Å; Y1048-F1051 VanDerWaalsContact O-N 3.08Å; C1049-F1051 VanDerWaalsContact C-N 3.32Å; C1049-F1051 PolarHBondContact O-N 3.37Å; F1051-I1053 VanDerWaalsContact C-N 3.34Å; F1051-I1053 PolarHBondContact O-N 3.41Å; F1051-Y1054 WeakPolarHBondContact O-CB 3.44Å; F1051-Y1054 PolarHBondContact O-N 3.16Å; F1051-L1055 HydrophobicContact CD1-CD1 3.79Å; F1051-L1055 HydrophobicContact CD1-CG 4.39Å; F1051-L1055 HydrophobicContact CE1-CD1 3.3Å; F1051-L1055 HydrophobicContact CE1-CG 3.99Å; F1051-L1055 HydrophobicContact CZ-CD1 3.88Å; F1051-L1055 HydrophobicContact CZ-CG 4.15Å; F1051-L1055 PolarHBondContact O-N 3.45Å
1052T76.6Confident76.9Confident49 Ų4994.8 Ų94.830%0.30146%0.456SS..Hα-helixtrans-62-41.7177.3-53.50000111.7Y1048 C1049 Y1054 L1055 I1056Y1048-T1052 PolarHBondContact O-N 2.89Å; Y1048-T1052 PolarHBondContact O-OG1 3.21Å; Y1048-T1052 VanDerWaalsContact O-OG1 3.14Å; C1049-T1052 PolarHBondContact O-N 2.96Å; T1052-Y1054 VanDerWaalsContact C-N 3.34Å; T1052-L1055 PolarHBondContact O-N 2.72Å; T1052-I1056 HydrophobicContact CG2-CD1 4.26Å; T1052-I1056 WeakPolarHBondContact O-CD1 3.15Å; T1052-I1056 VanDerWaalsContact O-CG1 3.32Å; T1052-I1056 WeakPolarHBondContact O-CG1 3.37Å; T1052-I1056 PolarHBondContact O-N 2.93Å
1053I72.7Confident76.2Confident51 Ų5199.1 Ų99.126%0.26248%0.476SS..Hα-helixtrans-67.6-37.5176.3-65.9167.5000111.1M938 C1049 L1050 F1051 I1056 K1057M938-I1053 HydrophobicContact CB-CD1 4.23Å; M938-I1053 HydrophobicContact CG-CD1 4.09Å; C1049-I1053 VanDerWaalsContact O-CG1 3.31Å; C1049-I1053 WeakPolarHBondContact O-CG1 3.41Å; C1049-I1053 PolarHBondContact O-N 2.03Å; C1049-I1053 VanDerWaalsContact O-N 3.11Å; L1050-I1053 PolarHBondContact O-N 3Å; F1051-I1053 VanDerWaalsContact C-N 3.34Å; F1051-I1053 PolarHBondContact O-N 3.41Å; I1053-I1056 PolarHBondContact O-N 3.4Å; I1053-K1057 PolarHBondContact O-N 2.8Å
1054Y70.7Confident75.3Confident150 Ų15099.1 Ų99.159%0.58847%0.474SS*.Hα-helixtrans-64.3-42.9175.5-169.5-91.6000111.6L1050 F1051 T1052 I1056 K1057 V1058L1050-Y1054 WeakPolarHBondContact O-CB 3.48Å; L1050-Y1054 PolarHBondContact O-N 3.16Å; F1051-Y1054 WeakPolarHBondContact O-CB 3.44Å; F1051-Y1054 PolarHBondContact O-N 3.16Å; T1052-Y1054 VanDerWaalsContact C-N 3.34Å; Y1054-I1056 VanDerWaalsContact C-N 3.29Å; Y1054-I1056 PolarHBondContact O-N 3.07Å; Y1054-K1057 WeakPolarHBondContact O-CB 3.38Å; Y1054-K1057 PolarHBondContact O-N 3.25Å; Y1054-V1058 HydrophobicContact CD1-CG2 3.98Å; Y1054-V1058 HydrophobicContact CE1-CG2 3.61Å; Y1054-V1058 PolarHBondContact O-N 3.07Å; Y1054-V1058 VanDerWaalsContact O-N 3.09Å
1055L63.6Low74.3Confident98 Ų98102.3 Ų102.351%0.51348%0.476SS..Hα-helixtrans-64.7-29174.6-83.7174.3000113.6F1051 T1052 K1057F1051-L1055 HydrophobicContact CD1-CD1 3.79Å; F1051-L1055 HydrophobicContact CD1-CG 4.39Å; F1051-L1055 HydrophobicContact CE1-CD1 3.3Å; F1051-L1055 HydrophobicContact CE1-CG 3.99Å; F1051-L1055 HydrophobicContact CZ-CD1 3.88Å; F1051-L1055 HydrophobicContact CZ-CG 4.15Å; F1051-L1055 PolarHBondContact O-N 3.45Å; T1052-L1055 PolarHBondContact O-N 2.72Å; L1055-K1057 VanDerWaalsContact C-N 3.26Å
1056I58.7Low73.2Confident110 Ų110106.5 Ų106.556%0.56449%0.494SS*.Hα-helixtrans-73.7-22.9173.3-69.5160.9000111.5T1052 I1053 Y1054T1052-I1056 HydrophobicContact CG2-CD1 4.26Å; T1052-I1056 WeakPolarHBondContact O-CD1 3.15Å; T1052-I1056 VanDerWaalsContact O-CG1 3.32Å; T1052-I1056 WeakPolarHBondContact O-CG1 3.37Å; T1052-I1056 PolarHBondContact O-N 2.93Å; I1053-I1056 PolarHBondContact O-N 3.4Å; Y1054-I1056 VanDerWaalsContact C-N 3.29Å; Y1054-I1056 PolarHBondContact O-N 3.07Å
1057K52.8Low71.9Confident168 Ų168111.1 Ų111.173%0.7352%0.516SS*.Hα-helixtrans-84.6-33.2179.6-172.3-177.9176.4-1740112.6I1053 Y1054 L1055I1053-K1057 PolarHBondContact O-N 2.8Å; Y1054-K1057 WeakPolarHBondContact O-CB 3.38Å; Y1054-K1057 PolarHBondContact O-N 3.25Å; L1055-K1057 VanDerWaalsContact C-N 3.26Å
1058V44.9Very low70.5Confident144 Ų144103.4 Ų103.487%0.87350%0.496SS*.  trans-77.60172.6-179.80000108.7Y1054Y1054-V1058 HydrophobicContact CD1-CG2 3.98Å; Y1054-V1058 HydrophobicContact CE1-CG2 3.61Å; Y1054-V1058 PolarHBondContact O-N 3.07Å; Y1054-V1058 VanDerWaalsContact O-N 3.09Å

Retrieved 1,058 of 1,058 residues in 220.4 ms (Link to these results)

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