A0A3P9Q871_POERE Loading...

Aspartate beta-hydroxylase domain-containing protein 2

AlphaFold DB , UniProt , Accession A0A3P9Q871, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 369 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
1M46.4Very low63.8Low223 Ų223138.5 Ų138.5100%1.09967%0.665SS**  086.50-150.7-179.5-71.900105.2
2E51.2Low64.2Low198 Ų198134 Ų13493%0.92565%0.653SS**  trans-76.7121.7-177.6-74.2-179.5152.700108.5S4E2-S4 PolarHBondContact O-N 3.29Å
3W53.7Low64.5Low181 Ų181128 Ų12869%0.68664%0.638SS**  trans-79.9108.6176.2-7452.2000107.4V8 M11W3-V8 HydrophobicContact CE3-CG2 4.1Å; W3-M11 HydrophobicContact CE3-CE 4.41Å; W3-M11 HydrophobicContact CH2-CE 4.03Å; W3-M11 HydrophobicContact CZ3-CE 3.51Å; W3-M11 HydrophobicContact CZ3-SD 4.39Å
4S72.6Confident64.8Low55 Ų55121.9 Ų121.939%0.38562%0.624SS.*  trans-68.4144.9174.2790000109.7E2 E6 S7 V8E2-S4 PolarHBondContact O-N 3.29Å; S4-E6 PolarHBondContact O-N 3.06Å; S4-E6 VanDerWaalsContact O-N 3.11Å; S4-S7 PolarHBondContact O-N 3.33Å; S4-S7 PolarHBondContact OG-N 3.17Å; S4-V8 PolarHBondContact O-N 3.11Å
5L65.8Low64.6Low159 Ų159116.1 Ų116.183%0.83261%0.607SS**Hα-helixtrans-55.7-26.6175.5-86.4158.3000112.4R9L5-R9 PolarHBondContact O-N 3.37Å; L5-R9 VanDerWaalsContact O-N 3.17Å
6E70.9Confident64.2Low144 Ų144117.3 Ų117.367%0.67361%0.61SS**Hα-helixtrans-69.3-43.1175.7-70.8175.9159.100112.3S4 V8 R9 E10S4-E6 PolarHBondContact O-N 3.06Å; S4-E6 VanDerWaalsContact O-N 3.11Å; E6-V8 VanDerWaalsContact C-N 3.3Å; E6-V8 PolarHBondContact O-N 3.14Å; E6-R9 WeakPolarHBondContact O-CB 3.44Å; E6-R9 PolarHBondContact O-N 3.01Å; E6-R9 VanDerWaalsContact O-N 3.16Å; E6-E10 PolarHBondContact O-N 3.47Å
7S64.4Low64.2Low61 Ų61117.2 Ų117.243%0.42761%0.606SS.*Hα-helixtrans-62.8-35.8176-82.90000112.9S4 M11S4-S7 PolarHBondContact O-N 3.33Å; S4-S7 PolarHBondContact OG-N 3.17Å; S7-M11 WeakPolarHBondContact O-CB 3.49Å; S7-M11 PolarHBondContact O-N 3.37Å; S7-M11 VanDerWaalsContact O-N 3.14Å
8V65.9Low64.1Low63 Ų63114.8 Ų114.838%0.38260%0.601SS.*Hα-helixtrans-68.5-39.2175.8178.70000110.7W3 S4 E6 M11 V12W3-V8 HydrophobicContact CE3-CG2 4.1Å; S4-V8 PolarHBondContact O-N 3.11Å; E6-V8 VanDerWaalsContact C-N 3.3Å; E6-V8 PolarHBondContact O-N 3.14Å; V8-M11 PolarHBondContact O-N 3.08Å; V8-V12 WeakPolarHBondContact O-CG2 3.4Å; V8-V12 PolarHBondContact O-N 3.41Å; V8-V12 VanDerWaalsContact O-N 3.08Å
9R71.9Confident64Low188 Ų188113.5 Ų113.571%0.70960%0.598SS**Hα-helixtrans-63.8-43.4177.4-165-176.483.6176.63.6112.1L5 E6 V12 A13L5-R9 PolarHBondContact O-N 3.37Å; L5-R9 VanDerWaalsContact O-N 3.17Å; E6-R9 WeakPolarHBondContact O-CB 3.44Å; E6-R9 PolarHBondContact O-N 3.01Å; E6-R9 VanDerWaalsContact O-N 3.16Å; R9-V12 PolarHBondContact O-N 3.16Å; R9-A13 WeakPolarHBondContact O-CB 3.37Å; R9-A13 PolarHBondContact O-N 2.98Å
10E73.7Confident63.9Low139 Ų139116.5 Ų116.565%0.6560%0.601SS**Hα-helixtrans-66-38.1178-71.4-172.3166.100112.3E6 A13 G14E6-E10 PolarHBondContact O-N 3.47Å; E10-A13 PolarHBondContact O-N 3.27Å; E10-G14 PolarHBondContact O-N 3.4Å
11M65.9Low64.2Low112 Ų112116 Ų11655%0.55260%0.596SS**Hα-helixtrans-64.8-43176.8-167.5-177.7-5100112.3W3 S7 V8 G14 G15W3-M11 HydrophobicContact CE3-CE 4.41Å; W3-M11 HydrophobicContact CH2-CE 4.03Å; W3-M11 HydrophobicContact CZ3-CE 3.51Å; W3-M11 HydrophobicContact CZ3-SD 4.39Å; S7-M11 WeakPolarHBondContact O-CB 3.49Å; S7-M11 PolarHBondContact O-N 3.37Å; S7-M11 VanDerWaalsContact O-N 3.14Å; V8-M11 PolarHBondContact O-N 3.08Å; M11-G14 PolarHBondContact O-N 3.44Å; M11-G15 PolarHBondContact O-N 2.94Å
12V68.3Low65Low85 Ų85109.5 Ų109.552%0.51557%0.572SS.*Hα-helixtrans-67.5-41.7176.51740000111V8 R9 G14 G15 M16V8-V12 WeakPolarHBondContact O-CG2 3.4Å; V8-V12 PolarHBondContact O-N 3.41Å; V8-V12 VanDerWaalsContact O-N 3.08Å; R9-V12 PolarHBondContact O-N 3.16Å; V12-G14 PolarHBondContact O-N 2.96Å; V12-G15 PolarHBondContact O-N 2.99Å; V12-M16 HydrophobicContact CG1-SD 4.23Å; V12-M16 WeakPolarHBondContact O-CG 3.38Å; V12-M16 PolarHBondContact O-N 2.87Å
13A68Low65.9Low56 Ų56106.7 Ų106.746%0.46356%0.558SS.*Hα-helixtrans-61.9-42.5175.600000111.8R9 E10 M16 Q17R9-A13 WeakPolarHBondContact O-CB 3.37Å; R9-A13 PolarHBondContact O-N 2.98Å; E10-A13 PolarHBondContact O-N 3.27Å; A13-M16 PolarHBondContact O-N 2.94Å; A13-Q17 WeakPolarHBondContact O-CB 3.39Å; A13-Q17 PolarHBondContact O-N 3.49Å
14G68.1Low67Low42 Ų42103.1 Ų103.143%0.43355%0.552SS.*Hα-helixtrans-63.7-39.5174.300000113.1E10 M11 V12 Q17 S18E10-G14 PolarHBondContact O-N 3.4Å; M11-G14 PolarHBondContact O-N 3.44Å; V12-G14 PolarHBondContact O-N 2.96Å; G14-Q17 PolarHBondContact O-N 3.39Å; G14-S18 WeakPolarHBondContact O-CB 3.34Å; G14-S18 PolarHBondContact O-N 3.26Å
15G61.6Low67.2Low36 Ų36104 Ų10437%0.37156%0.557SS.*Hα-helixtrans-63.4-44.4174.300000112.8M11 V12 S18 V19M11-G15 PolarHBondContact O-N 2.94Å; V12-G15 PolarHBondContact O-N 2.99Å; G15-S18 PolarHBondContact O-N 3.33Å; G15-V19 WeakPolarHBondContact O-CG2 3.4Å; G15-V19 PolarHBondContact O-N 2.95Å
16M59.5Low67.6Low135 Ų13599.2 Ų99.267%0.66554%0.541SS*.Hα-helixtrans-66-37.8176.3-69.6178.767.500112.3V12 A13 R20V12-M16 HydrophobicContact CG1-SD 4.23Å; V12-M16 WeakPolarHBondContact O-CG 3.38Å; V12-M16 PolarHBondContact O-N 2.87Å; A13-M16 PolarHBondContact O-N 2.94Å; M16-R20 WeakPolarHBondContact O-CB 3.44Å; M16-R20 PolarHBondContact O-N 3.03Å
17Q63.9Low68.1Low115 Ų11599.4 Ų99.454%0.53754%0.539SS..Hα-helixtrans-62.6-45174.2-167.1883.400110.9A13 G14 R20 E21A13-Q17 WeakPolarHBondContact O-CB 3.39Å; A13-Q17 PolarHBondContact O-N 3.49Å; G14-Q17 PolarHBondContact O-N 3.39Å; Q17-R20 PolarHBondContact O-N 3.01Å; Q17-E21 WeakPolarHBondContact O-CG 3.35Å; Q17-E21 PolarHBondContact O-N 3.41Å
18S61.8Low69Low74 Ų7498.9 Ų98.952%0.51754%0.539SS..Hα-helixtrans-66.1-39.5179.5-174.90000113G14 G15 R20 E21 C22G14-S18 WeakPolarHBondContact O-CB 3.34Å; G14-S18 PolarHBondContact O-N 3.26Å; G15-S18 PolarHBondContact O-N 3.33Å; S18-R20 VanDerWaalsContact C-N 3.35Å; S18-E21 PolarHBondContact O-N 3.49Å; S18-C22 WeakPolarHBondContact O-CB 3.39Å; S18-C22 PolarHBondContact O-N 3.06Å
19V61.6Low69.8Low90 Ų90101.2 Ų101.255%0.54555%0.548SS..Hα-helixtrans-64.6-41.1173.9172.40000110.8G15 C22 E23G15-V19 WeakPolarHBondContact O-CG2 3.4Å; G15-V19 PolarHBondContact O-N 2.95Å; V19-C22 WeakPolarHBondContact O-CB 3.46Å; V19-C22 PolarHBondContact O-N 2.91Å; V19-E23 PolarHBondContact O-N 3.27Å
20R63.9Low70.3Confident173 Ų17395 Ų9565%0.65354%0.537SS*.Hα-helixtrans-67-38.3178.3-162.5176.4-173.9-1791.4112.5M16 Q17 S18 C22 E23 I24M16-R20 WeakPolarHBondContact O-CB 3.44Å; M16-R20 PolarHBondContact O-N 3.03Å; Q17-R20 PolarHBondContact O-N 3.01Å; S18-R20 VanDerWaalsContact C-N 3.35Å; R20-C22 VanDerWaalsContact C-N 3.35Å; R20-E23 PolarHBondContact O-N 3.45Å; R20-I24 HydrophobicContact CG-CD1 4.37Å; R20-I24 WeakPolarHBondContact O-CD1 3.26Å; R20-I24 VanDerWaalsContact O-CG1 3.23Å; R20-I24 WeakPolarHBondContact O-CG1 3.39Å; R20-I24 PolarHBondContact O-N 3.08Å; R20-I24 VanDerWaalsContact O-N 3.08Å
21E68.3Low70.9Confident108 Ų10892.2 Ų92.251%0.50553%0.525SS..Hα-helixtrans-66.2-36.8173.5-74.2173.6-171.600111.8Q17 S18 I24 C25Q17-E21 WeakPolarHBondContact O-CG 3.35Å; Q17-E21 PolarHBondContact O-N 3.41Å; S18-E21 PolarHBondContact O-N 3.49Å; E21-I24 PolarHBondContact O-N 3.32Å; E21-C25 WeakPolarHBondContact O-CB 3.42Å; E21-C25 PolarHBondContact O-N 2.89Å; E21-C25 PolarHBondContact O-SG 3.37Å; E21-C25 VanDerWaalsContact O-SG 3.32Å
22C65.1Low71.9Confident86 Ų8690.5 Ų90.558%0.58152%0.523SS*.Hα-helixtrans-65.7-42175.5-163.70000112.5S18 V19 R20 C25 A26S18-C22 WeakPolarHBondContact O-CB 3.39Å; S18-C22 PolarHBondContact O-N 3.06Å; V19-C22 WeakPolarHBondContact O-CB 3.46Å; V19-C22 PolarHBondContact O-N 2.91Å; R20-C22 VanDerWaalsContact C-N 3.35Å; C22-C25 PolarHBondContact O-N 2.92Å; C22-A26 WeakPolarHBondContact O-CB 3.23Å; C22-A26 PolarHBondContact O-N 3.42Å
23E70Confident72.8Confident138 Ų13890.8 Ų90.865%0.64552%0.524SS*.Hα-helixtrans-65-39.1174.2-73.6-170160.500112.4V19 R20 A26 F27V19-E23 PolarHBondContact O-N 3.27Å; R20-E23 PolarHBondContact O-N 3.45Å; E23-A26 PolarHBondContact O-N 2.89Å; E23-F27 WeakPolarHBondContact O-CB 3.44Å; E23-F27 PolarHBondContact O-N 3.37Å
24I76Confident73.8Confident106 Ų10692.9 Ų92.954%0.54453%0.527SS..Hα-helixtrans-65.4-42.9175.3-68164.2000110.6R20 E21 F27 A28R20-I24 HydrophobicContact CG-CD1 4.37Å; R20-I24 WeakPolarHBondContact O-CD1 3.26Å; R20-I24 VanDerWaalsContact O-CG1 3.23Å; R20-I24 WeakPolarHBondContact O-CG1 3.39Å; R20-I24 PolarHBondContact O-N 3.08Å; R20-I24 VanDerWaalsContact O-N 3.08Å; E21-I24 PolarHBondContact O-N 3.32Å; I24-F27 PolarHBondContact O-N 3.41Å; I24-A28 VanDerWaalsContact O-CB 3.31Å; I24-A28 WeakPolarHBondContact O-CB 3.35Å; I24-A28 PolarHBondContact O-N 3.35Å
25C76.5Confident74.8Confident75 Ų7596 Ų9651%0.50753%0.534SS..Hα-helixtrans-63.1-43.5175.3-74.90000112E21 C22 A28 I29E21-C25 WeakPolarHBondContact O-CB 3.42Å; E21-C25 PolarHBondContact O-N 2.89Å; E21-C25 PolarHBondContact O-SG 3.37Å; E21-C25 VanDerWaalsContact O-SG 3.32Å; C22-C25 PolarHBondContact O-N 2.92Å; C25-A28 PolarHBondContact O-N 2.96Å; C25-I29 VanDerWaalsContact O-CG1 3.26Å; C25-I29 WeakPolarHBondContact O-CG1 3.31Å; C25-I29 PolarHBondContact O-N 3.34Å
26A75.1Confident75.9Confident58 Ų5899.8 Ų99.848%0.47955%0.545SS..Hα-helixtrans-63.1-42.617700000111.8C22 E23 I29 A30C22-A26 WeakPolarHBondContact O-CB 3.23Å; C22-A26 PolarHBondContact O-N 3.42Å; E23-A26 PolarHBondContact O-N 2.89Å; A26-I29 PolarHBondContact O-N 2.88Å; A26-A30 WeakPolarHBondContact O-CB 3.34Å; A26-A30 PolarHBondContact O-N 2.88Å
27F80.1Confident77.3Confident147 Ų14799.1 Ų99.165%0.64554%0.539SS*.Hα-helixtrans-65.1-41.9175.9-170.9-95.9000111.9E23 I24 A30 M31E23-F27 WeakPolarHBondContact O-CB 3.44Å; E23-F27 PolarHBondContact O-N 3.37Å; I24-F27 PolarHBondContact O-N 3.41Å; F27-A30 PolarHBondContact O-N 2.93Å; F27-M31 HydrophobicContact CD1-CG 4.03Å; F27-M31 HydrophobicContact CE1-CG 3.68Å; F27-M31 HydrophobicContact CE1-SD 4.4Å; F27-M31 HydrophobicContact CZ-CG 4.05Å; F27-M31 HydrophobicContact CZ-SD 4.26Å; F27-M31 WeakPolarHBondContact O-CB 3.45Å; F27-M31 WeakPolarHBondContact O-CG 3.44Å; F27-M31 PolarHBondContact O-N 2.92Å
28A83.5Confident78.4Confident50 Ų5099.1 Ų99.141%0.41354%0.54SS..Hα-helixtrans-62.5-42.8176.200000112I24 C25 M31 C32I24-A28 VanDerWaalsContact O-CB 3.31Å; I24-A28 WeakPolarHBondContact O-CB 3.35Å; I24-A28 PolarHBondContact O-N 3.35Å; C25-A28 PolarHBondContact O-N 2.96Å; A28-M31 PolarHBondContact O-N 3.42Å; A28-C32 WeakPolarHBondContact O-CB 3.45Å; A28-C32 PolarHBondContact O-N 3.45Å; A28-C32 PolarHBondContact O-SG 3.39Å
29I82.1Confident79.7Confident112 Ų112102.3 Ų102.357%0.57454%0.541SS*.Hα-helixtrans-63.8-45.6175.9-68.4165.5000110.6C25 A26 M31 C32 V33C25-I29 VanDerWaalsContact O-CG1 3.26Å; C25-I29 WeakPolarHBondContact O-CG1 3.31Å; C25-I29 PolarHBondContact O-N 3.34Å; A26-I29 PolarHBondContact O-N 2.88Å; I29-M31 VanDerWaalsContact C-N 3.32Å; I29-M31 PolarHBondContact O-N 3.2Å; I29-C32 PolarHBondContact O-N 3.49Å; I29-V33 HydrophobicContact CG2-CG2 4.42Å; I29-V33 WeakPolarHBondContact O-CG2 3.37Å; I29-V33 PolarHBondContact O-N 2.89Å
30A82.6Confident80.8Confident58 Ų58104.9 Ų104.948%0.47954%0.541SS..Hα-helixtrans-60.1-43177.500000111.8A26 F27 V33 L34A26-A30 WeakPolarHBondContact O-CB 3.34Å; A26-A30 PolarHBondContact O-N 2.88Å; F27-A30 PolarHBondContact O-N 2.93Å; A30-V33 PolarHBondContact O-N 3.39Å; A30-L34 WeakPolarHBondContact O-CB 3.35Å; A30-L34 PolarHBondContact O-N 3.03Å
31M87.4Confident81.5Confident81 Ų8199.3 Ų99.340%0.39953%0.528SS..Hα-helixtrans-64.4-41.4174.8-74.1-61-63.700112.2F27 A28 I29 L34 L35F27-M31 HydrophobicContact CD1-CG 4.03Å; F27-M31 HydrophobicContact CE1-CG 3.68Å; F27-M31 HydrophobicContact CE1-SD 4.4Å; F27-M31 HydrophobicContact CZ-CG 4.05Å; F27-M31 HydrophobicContact CZ-SD 4.26Å; F27-M31 WeakPolarHBondContact O-CB 3.45Å; F27-M31 WeakPolarHBondContact O-CG 3.44Å; F27-M31 PolarHBondContact O-N 2.92Å; A28-M31 PolarHBondContact O-N 3.42Å; I29-M31 VanDerWaalsContact C-N 3.32Å; I29-M31 PolarHBondContact O-N 3.2Å; M31-L34 PolarHBondContact O-N 3.42Å; M31-L35 WeakPolarHBondContact O-CB 3.2Å; M31-L35 VanDerWaalsContact O-CG 3.25Å; M31-L35 WeakPolarHBondContact O-CG 3.3Å; M31-L35 PolarHBondContact O-N 2.94Å
32C87.4Confident82.2Confident75 Ų75100.7 Ų100.751%0.50753%0.53SS..Hα-helixtrans-61.7-44.5174.4-80.40000112.2A28 I29 L34 L35 L36A28-C32 WeakPolarHBondContact O-CB 3.45Å; A28-C32 PolarHBondContact O-N 3.45Å; A28-C32 PolarHBondContact O-SG 3.39Å; I29-C32 PolarHBondContact O-N 3.49Å; C32-L34 VanDerWaalsContact C-N 3.34Å; C32-L34 PolarHBondContact O-N 3.07Å; C32-L35 PolarHBondContact O-N 3.25Å; C32-L36 WeakPolarHBondContact O-CB 3.43Å; C32-L36 VanDerWaalsContact O-CG 3.3Å; C32-L36 WeakPolarHBondContact O-CG 3.5Å; C32-L36 PolarHBondContact O-N 3.3Å
33V86.2Confident82.9Confident91 Ų91102.5 Ų102.555%0.55253%0.525SS*.Hα-helixtrans-63.4-41.5176.81730000110.8I29 A30 L36 F37I29-V33 HydrophobicContact CG2-CG2 4.42Å; I29-V33 WeakPolarHBondContact O-CG2 3.37Å; I29-V33 PolarHBondContact O-N 2.89Å; A30-V33 PolarHBondContact O-N 3.39Å; V33-L36 PolarHBondContact O-N 3.04Å; V33-F37 WeakPolarHBondContact O-CB 3.36Å; V33-F37 PolarHBondContact O-N 2.71Å
34L88.4Confident83Confident100 Ų10098.3 Ų98.352%0.52451%0.508SS..Hα-helixtrans-67.3-39.4178.6-161.6139.4000111.9A30 M31 C32 F37 M38A30-L34 WeakPolarHBondContact O-CB 3.35Å; A30-L34 PolarHBondContact O-N 3.03Å; M31-L34 PolarHBondContact O-N 3.42Å; C32-L34 VanDerWaalsContact C-N 3.34Å; C32-L34 PolarHBondContact O-N 3.07Å; L34-F37 PolarHBondContact O-N 2.88Å; L34-M38 HydrophobicContact CD2-CG 4.23Å; L34-M38 WeakPolarHBondContact O-CB 3.25Å; L34-M38 VanDerWaalsContact O-CG 3.25Å; L34-M38 WeakPolarHBondContact O-CG 3.49Å; L34-M38 PolarHBondContact O-N 3.31Å
35L89.8Confident82.7Confident109 Ų10995.5 Ų95.557%0.57151%0.505SS*.Hα-helixtrans-65.8-41.2173.5-73171.7000112.1M31 C32 M38 W39M31-L35 WeakPolarHBondContact O-CB 3.2Å; M31-L35 VanDerWaalsContact O-CG 3.25Å; M31-L35 WeakPolarHBondContact O-CG 3.3Å; M31-L35 PolarHBondContact O-N 2.94Å; C32-L35 PolarHBondContact O-N 3.25Å; L35-M38 PolarHBondContact O-N 3.39Å; L35-W39 VanDerWaalsContact O-CB 3.29Å; L35-W39 WeakPolarHBondContact O-CB 3.24Å; L35-W39 PolarHBondContact O-N 3.15Å
36L85.9Confident81.9Confident114 Ų11499 Ų9960%0.59751%0.508SS*.Hα-helixtrans-65.3-39.1174.7-73.5171.3000111.8C32 V33 W39 Y40C32-L36 WeakPolarHBondContact O-CB 3.43Å; C32-L36 VanDerWaalsContact O-CG 3.3Å; C32-L36 WeakPolarHBondContact O-CG 3.5Å; C32-L36 PolarHBondContact O-N 3.3Å; V33-L36 PolarHBondContact O-N 3.04Å; L36-W39 PolarHBondContact O-N 3.29Å; L36-Y40 VanDerWaalsContact O-CB 3.32Å; L36-Y40 WeakPolarHBondContact O-CB 3.36Å; L36-Y40 PolarHBondContact O-N 2.92Å
37F88.2Confident80.9Confident122 Ų122101.6 Ų101.654%0.53551%0.51SS..Hα-helixtrans-64.1-47.2174.3179.6-102.1000111.4V33 L34 W39 Y40 C41V33-F37 WeakPolarHBondContact O-CB 3.36Å; V33-F37 PolarHBondContact O-N 2.71Å; L34-F37 PolarHBondContact O-N 2.88Å; F37-W39 VanDerWaalsContact C-N 3.34Å; F37-W39 PolarHBondContact O-N 3.06Å; F37-Y40 WeakPolarHBondContact O-CB 3.13Å; F37-Y40 PolarHBondContact O-N 3.18Å; F37-C41 PolarHBondContact O-N 3.3Å; F37-C41 PolarHBondContact O-SG 3.11Å; F37-C41 VanDerWaalsContact O-SG 3.32Å
38M85.9Confident79.3Confident115 Ų115102.1 Ų102.157%0.56751%0.514SS*.Hα-helixtrans-62.4-39.9175.7-72.7-66.3-69.800112.1L34 L35 C41 Y42L34-M38 HydrophobicContact CD2-CG 4.23Å; L34-M38 WeakPolarHBondContact O-CB 3.25Å; L34-M38 VanDerWaalsContact O-CG 3.25Å; L34-M38 WeakPolarHBondContact O-CG 3.49Å; L34-M38 PolarHBondContact O-N 3.31Å; L35-M38 PolarHBondContact O-N 3.39Å; M38-C41 PolarHBondContact O-N 2.92Å; M38-Y42 VanDerWaalsContact O-CB 3.31Å; M38-Y42 WeakPolarHBondContact O-CB 3.34Å; M38-Y42 PolarHBondContact O-N 3.05Å
39W89.7Confident77.2Confident141 Ų141102.6 Ų102.653%0.53452%0.524SS..Hα-helixtrans-64.3-42.8173.7179.186.1000111.9L35 L36 F37 Y42 R43L35-W39 VanDerWaalsContact O-CB 3.29Å; L35-W39 WeakPolarHBondContact O-CB 3.24Å; L35-W39 PolarHBondContact O-N 3.15Å; L36-W39 PolarHBondContact O-N 3.29Å; F37-W39 VanDerWaalsContact C-N 3.34Å; F37-W39 PolarHBondContact O-N 3.06Å; W39-Y42 PolarHBondContact O-N 2.91Å; W39-R43 WeakPolarHBondContact O-CB 3.46Å; W39-R43 PolarHBondContact O-N 3.16Å
40Y85.4Confident75.1Confident143 Ų143102.8 Ų102.856%0.56153%0.53SS*.Hα-helixtrans-60.6-48.7174.4174.5-98.3000111.2L36 F37 Y42 R43 V44L36-Y40 VanDerWaalsContact O-CB 3.32Å; L36-Y40 WeakPolarHBondContact O-CB 3.36Å; L36-Y40 PolarHBondContact O-N 2.92Å; F37-Y40 WeakPolarHBondContact O-CB 3.13Å; F37-Y40 PolarHBondContact O-N 3.18Å; Y40-Y42 VanDerWaalsContact C-N 3.33Å; Y40-Y42 PolarHBondContact O-N 2.56Å; Y40-R43 PolarHBondContact O-N 2.76Å; Y40-V44 HydrophobicContact CD1-CG2 4.35Å; Y40-V44 HydrophobicContact CD2-CG2 4.17Å; Y40-V44 HydrophobicContact CE1-CG2 3.99Å; Y40-V44 HydrophobicContact CE2-CG2 3.8Å; Y40-V44 HydrophobicContact CG-CG2 4.43Å; Y40-V44 WeakPolarHBondContact O-CB 3.29Å; Y40-V44 VanDerWaalsContact O-CG2 3.3Å; Y40-V44 WeakPolarHBondContact O-CG2 3.17Å; Y40-V44 PolarHBondContact O-N 2.82Å
41C78.8Confident72.9Confident56 Ų56104.3 Ų104.338%0.37854%0.538SS..Hα-helixtrans-59.9-41.2175.4-69.20000112.3F37 M38 G45F37-C41 PolarHBondContact O-N 3.3Å; F37-C41 PolarHBondContact O-SG 3.11Å; F37-C41 VanDerWaalsContact O-SG 3.32Å; M38-C41 PolarHBondContact O-N 2.92Å; C41-G45 PolarHBondContact O-N 2.91Å
42Y82.3Confident70.4Confident137 Ų137106.4 Ų106.454%0.53756%0.557SS.*Hα-helixtrans-64.8-43.9175.6176.5-100.1000112.2M38 W39 Y40 G45 R46M38-Y42 VanDerWaalsContact O-CB 3.31Å; M38-Y42 WeakPolarHBondContact O-CB 3.34Å; M38-Y42 PolarHBondContact O-N 3.05Å; W39-Y42 PolarHBondContact O-N 2.91Å; Y40-Y42 VanDerWaalsContact C-N 3.33Å; Y40-Y42 PolarHBondContact O-N 2.56Å; Y42-G45 PolarHBondContact O-N 3.44Å; Y42-R46 HydrophobicContact CE1-CG 4.14Å; Y42-R46 HydrophobicContact CE2-CG 4.28Å; Y42-R46 WeakPolarHBondContact O-CB 3.44Å; Y42-R46 PolarHBondContact O-N 3.38Å; Y42-R46 VanDerWaalsContact OH-CD 3.32Å; Y42-R46 WeakPolarHBondContact OH-CD 3.37Å; Y42-R46 PolarHBondContact OH-NH1 2.64Å
43R80.1Confident68.1Low125 Ų125110.5 Ų110.547%0.47257%0.573SS.*Hα-helixtrans-66.5-48.5179.8-165.7-160.9-177.7165.915.2111.2W39 Y40 G45 R46 E47W39-R43 WeakPolarHBondContact O-CB 3.46Å; W39-R43 PolarHBondContact O-N 3.16Å; Y40-R43 PolarHBondContact O-N 2.76Å; R43-G45 VanDerWaalsContact C-N 3.27Å; R43-G45 PolarHBondContact O-N 3.47Å; R43-R46 PolarHBondContact O-N 2.79Å; R43-R46 VanDerWaalsContact O-N 3.11Å; R43-E47 IonicContact CZ-OE1 3.98Å; R43-E47 IonicContact NE-OE1 3.93Å; R43-E47 PolarHBondContact NE-OE1 3.34Å; R43-E47 WeakPolarHBondContact O-CG 3.39Å; R43-E47 PolarHBondContact O-N 2.87Å
44V72.3Confident65.6Low50 Ų50118.2 Ų118.230%0.30359%0.592SS.*Hα-helixtrans-59.7-40.5174.9173.20000110.3Y40 H48Y40-V44 HydrophobicContact CD1-CG2 4.35Å; Y40-V44 HydrophobicContact CD2-CG2 4.17Å; Y40-V44 HydrophobicContact CE1-CG2 3.99Å; Y40-V44 HydrophobicContact CE2-CG2 3.8Å; Y40-V44 HydrophobicContact CG-CG2 4.43Å; Y40-V44 WeakPolarHBondContact O-CB 3.29Å; Y40-V44 VanDerWaalsContact O-CG2 3.3Å; Y40-V44 WeakPolarHBondContact O-CG2 3.17Å; Y40-V44 PolarHBondContact O-N 2.82Å; V44-H48 PolarHBondContact O-N 3.25Å; V44-H48 PolarHBondContact O-ND1 3.26Å
45G68.3Low62.8Low46 Ų46116.7 Ų116.747%0.47460%0.601SS.*Hα-helixtrans-65.6-35.3174.600000114.1C41 Y42 R43 G49C41-G45 PolarHBondContact O-N 2.91Å; Y42-G45 PolarHBondContact O-N 3.44Å; R43-G45 VanDerWaalsContact C-N 3.27Å; R43-G45 PolarHBondContact O-N 3.47Å; G45-G49 PolarHBondContact O-N 2.9Å; G45-G49 VanDerWaalsContact O-N 3.17Å
46R61.4Low59.9Low148 Ų148123.1 Ų123.156%0.55862%0.618SS**Hα-helixtrans-74.6-37.6176.3-87.1-168.971.4136.12.8113.5Y42 R43 H48 G49 T50Y42-R46 HydrophobicContact CE1-CG 4.14Å; Y42-R46 HydrophobicContact CE2-CG 4.28Å; Y42-R46 WeakPolarHBondContact O-CB 3.44Å; Y42-R46 PolarHBondContact O-N 3.38Å; Y42-R46 VanDerWaalsContact OH-CD 3.32Å; Y42-R46 WeakPolarHBondContact OH-CD 3.37Å; Y42-R46 PolarHBondContact OH-NH1 2.64Å; R43-R46 PolarHBondContact O-N 2.79Å; R43-R46 VanDerWaalsContact O-N 3.11Å; R46-H48 PolarHBondContact O-N 3.36Å; R46-G49 PolarHBondContact O-N 3.38Å; R46-T50 PolarHBondContact O-N 2.96Å
47E52.3Low57.2Low114 Ų114129.1 Ų129.153%0.53363%0.634SS.*Hα-helixtrans-65.3-27.4177.2-72.6172.8-17200111.4R43R43-E47 IonicContact CZ-OE1 3.98Å; R43-E47 IonicContact NE-OE1 3.93Å; R43-E47 PolarHBondContact NE-OE1 3.34Å; R43-E47 WeakPolarHBondContact O-CG 3.39Å; R43-E47 PolarHBondContact O-N 2.87Å
48H47.3Very low54.3Low158 Ų158131.4 Ų131.473%0.73165%0.651SS**THydrogen-bonded Turntrans-89.3-9.3170.9-66.180.1000114V44 R46V44-H48 PolarHBondContact O-N 3.25Å; V44-H48 PolarHBondContact O-ND1 3.26Å; R46-H48 PolarHBondContact O-N 3.36Å
49G39.4Very low51.7Low59 Ų59131.8 Ų131.861%0.60867%0.665SS**THydrogen-bonded Turntrans-90.5-12.8-177.400000114.9G45 R46 S51G45-G49 PolarHBondContact O-N 2.9Å; G45-G49 VanDerWaalsContact O-N 3.17Å; R46-G49 PolarHBondContact O-N 3.38Å; G49-S51 PolarHBondContact O-N 2.86Å
50T38.8Very low48.6Very low116 Ų116128.8 Ų128.871%0.71268%0.678SS**  trans-102.266176.250.10000110.8R46R46-T50 PolarHBondContact O-N 2.96Å
51S35.8Very low45.8Very low91 Ų91128.6 Ų128.664%0.63669%0.692SS**  trans-96.7128.6156.6-139.20000107.8G49 L53G49-S51 PolarHBondContact O-N 2.86Å; S51-L53 PolarHBondContact O-N 2.88Å
52P35.8Very low43.3Very low125 Ų125130.9 Ų130.981%0.81271%0.708SS**SBendtrans-80.854.8-167.733.6-36000113
53L38.5Very low40.7Very low161 Ų161136.4 Ų136.484%0.84373%0.728SS**  trans-132.738.8-179.4-72.5173.3000113.2S51S51-L53 PolarHBondContact O-N 2.88Å
54R34.2Very low38.2Very low252 Ų252138.4 Ų138.495%0.95175%0.747SS**  trans-130.873.8170-148.4176.6-172.3-164.71.4111.6
55G28.6Very low35.9Very low69 Ų69139.8 Ų139.871%0.71177%0.771SS**  trans-159.981.8173.900000111.8
56R29.6Very low33.8Very low243 Ų243140.9 Ų140.992%0.91778%0.782SS**  trans144.488.4151.8-84.5173.6169176.5-2.4111.4
57Y27.7Very low32.1Very low241 Ų241140.4 Ų140.495%0.94580%0.795SS**  trans-129.789148.3-91.2-82.2000107.3
58L29.3Very low30.8Very low170 Ų170141.6 Ų141.689%0.8981%0.81SS**  trans-123.3120.1159.6-85.9167.5000107.2
59S29.6Very low29.6Very low122 Ų122137.9 Ų137.985%0.85382%0.815SS**  trans44.2112.6145.9-167.30000118.8
60G25.8Very low28.8Very low79 Ų79139 Ų13981%0.81483%0.826SS**  trans-162.798.1166.500000111.8
61T26.6Very low28Very low139 Ų139143.4 Ų143.485%0.85384%0.836SS**  trans-62145-179.739.40000114.7
62S26.7Very low27.4Very low103 Ų103147.3 Ų147.372%0.7285%0.846SS**  trans-30.1141.7166.5-155.10000117.2
63R26.2Very low26.8Very low254 Ų254146.2 Ų146.296%0.95884%0.841SS**  trans-158.3127.8141.3-106.5173.3-164-166.14111.8
64I28.1Very low26.1Very low167 Ų167142.9 Ų142.986%0.85683%0.831SS**  trans-82.7145.8178.5-66.3163.6000109.6
65G25.1Very low25.6Very low78 Ų78138.3 Ų138.380%0.80483%0.826SS**  trans-166.1114.3165.600000110.4
66G22.7Very low25.5Very low70 Ų70140.4 Ų140.472%0.72283%0.828SS**  trans-94.1178.6176.800000113.5
67V26.1Very low25.3Very low137 Ų137140.4 Ų140.483%0.8383%0.828SS**  trans157.2115.2132.9163.90000111.2
68V24.5Very low25.2Very low139 Ų139133.4 Ų133.484%0.84283%0.83SS**  47.9119.5129.9-1670000122.8
69G22.3Very low25.2Very low81 Ų81136.2 Ų136.284%0.83583%0.829SS**  99.8122.9114.600000120.8
70G22.4Very low25Very low81 Ų81134.5 Ų134.584%0.83583%0.83SS**  trans164.3124.9161.600000114.8
71F22.4Very low25.2Very low209 Ų209140.4 Ų140.492%0.91783%0.833SS**  trans-92.9160.8-168.2-105.6-96.5000114.7
72M23.1Very low25.2Very low173 Ų173137.7 Ų137.785%0.85283%0.833SS**  trans90.3119.4147.7-77.9-168129.400124.2
73S22.6Very low25.4Very low103 Ų103142.5 Ų142.572%0.7284%0.841SS**  trans91.9116.7134.4-1350000122.9
74S24.8Very low25.6Very low90 Ų90138.6 Ų138.663%0.62983%0.833SS**  trans29.6115.7141.661.20000120.2
75D23.4Very low25.5Very low157 Ų157134.2 Ų134.284%0.8483%0.829SS**  -175.7155.9104.7-106.8-27.4000113.9
76C27.1Very low25.8Very low112 Ų112132.9 Ų132.976%0.75781%0.808SS**  trans-50.8129.4-175.9-610000115.4
77R25.8Very low26.3Very low243 Ų243136.9 Ų136.992%0.91781%0.811SS**  trans167.995.4140.8-91.9160.8-163.6-149.15.9109.2R79R77-R79 PolarHBondContact O-N 3.42Å
78G24Very low26.8Very low95 Ų95136.8 Ų136.898%0.97981%0.806SS**  trans-69.885.3179.600000112.8
79R29.6Very low27.5Very low229 Ų229136.1 Ų136.186%0.86479%0.793SS**  trans-107.489163.6-158.2178-170-173.94.5107.2R77 K81R77-R79 PolarHBondContact O-N 3.42Å; R79-K81 PolarHBondContact O-N 3.4Å
80G25.8Very low28.5Very low86 Ų86138.8 Ų138.889%0.88778%0.784SS**  trans-71.197.9-179.400000112.1
81K30.1Very low29.4Very low202 Ų202141.9 Ų141.988%0.87878%0.777SS**  trans-96.7103.9155.2-84.3-175.2174.4179.90107.5R79R79-K81 PolarHBondContact O-N 3.4Å
82G26.8Very low30.6Very low82 Ų82134.5 Ų134.585%0.84575%0.747SS**  trans-103.8124.216700000110.1
83K29.9Very low31.7Very low204 Ų204128.2 Ų128.289%0.88773%0.727SS**  trans-103.1125166.5-94.4-172.1174.3-175.40109.2
84H31.5Very low33.2Very low173 Ų173128.7 Ų128.780%0.80172%0.716SS**  trans41.1119.6157.5-72.6-51000121.9
85G26.1Very low34.6Very low75 Ų75126 Ų12677%0.77370%0.699SS**  trans174.963.1153.900000116.5
86S30.5Very low36.3Very low50 Ų50125.2 Ų125.235%0.3569%0.689SS.*  trans174.6102.61501570000111.4L88 E89S86-L88 PolarHBondContact O-N 3.15Å; S86-E89 PolarHBondContact O-N 3.43Å
87L34.1Very low38.3Very low153 Ų153121.9 Ų121.980%0.80167%0.666SS**THydrogen-bonded Turntrans-73.425.6-170.3-132.8110000116
88L36Very low40.3Very low135 Ų135119.6 Ų119.671%0.70767%0.666SS**THydrogen-bonded Turntrans-135.63.2175.6-74.5169.1000113.4S86S86-L88 PolarHBondContact O-N 3.15Å
89E38.4Very low42.5Very low125 Ų125116.1 Ų116.158%0.58463%0.627SS**SBendtrans-81.8-1.2170.9-71-179.9144.500113.1S86 R202S86-E89 PolarHBondContact O-N 3.43Å; E89-R202 IonicContact OE1-NH1 3.64Å
90E43.2Very low44.4Very low137 Ų137109.4 Ų109.464%0.6462%0.615SS**  trans-100.2-4-163.1-89.6178.516200116.6N92E90-N92 PolarHBondContact O-N 3.3Å
91Q43.3Very low46.7Very low147 Ų147109 Ų10969%0.68759%0.59SS**THydrogen-bonded Turntrans-81.6-11.8-174.2-72.2-173.524.800115.2L235Q91-L235 HydrophobicContact CB-CD1 4.15Å; Q91-L235 WeakPolarHBondContact O-CD1 3.1Å
92N47.3Very low49.1Very low54 Ų5499.6 Ų99.629%0.28955%0.55SS..THydrogen-bonded Turntrans-155.154.9162.8-117.526.4000109.6E90 F94 L235 N236E90-N92 PolarHBondContact O-N 3.3Å; N92-F94 PolarHBondContact O-N 2.97Å; N92-F94 VanDerWaalsContact O-N 3.16Å; N92-L235 HydrophobicContact CB-CD1 3.98Å; N92-L235 WeakPolarHBondContact ND2-CB 3.3Å; N92-N236 PolarHBondContact ND2-OD1 3.49Å
93G46.4Very low51.7Low41 Ų4196.7 Ų96.742%0.42351%0.514SS..  trans-52.2125171.200000108.3A95G93-A95 WeakPolarHBondContact O-CA 3.14Å; G93-A95 PolarHBondContact O-N 3.26Å
94F54.1Low54.1Low112 Ų11290.5 Ų90.549%0.49149%0.485SS..  trans-36.4109.4177.6-45.1-99000107.8N92 F96 W211 K212N92-F94 PolarHBondContact O-N 2.97Å; N92-F94 VanDerWaalsContact O-N 3.16Å; F94-F96 HydrophobicContact CB-CD2 4.27Å; F94-F96 HydrophobicContact CB-CE2 3.86Å; F94-F96 HydrophobicContact CB-CZ 4.49Å; F94-F96 WeakPolarHBondContact O-CD2 3.45Å; F94-F96 PolarHBondContact O-N 3.11Å; F94-W211 WeakPolarHBondContact CD1-O 3.26Å; F94-W211 WeakPolarHBondContact CE1-O 3.29Å; F94-K212 HydrophobicContact CB-CG 4.47Å; F94-K212 HydrophobicContact CD1-CB 3.77Å; F94-K212 HydrophobicContact CD1-CG 3.91Å; F94-K212 HydrophobicContact CE1-CB 4.45Å
95A53.6Low56.3Low35 Ų3585.7 Ų85.729%0.28947%0.47SS..  trans-70.875.1-163.800000110G93 C97 N228 L233G93-A95 WeakPolarHBondContact O-CA 3.14Å; G93-A95 PolarHBondContact O-N 3.26Å; A95-C97 PolarHBondContact O-N 2.99Å; A95-N228 PolarHBondContact O-ND2 3.29Å; A95-L233 HydrophobicContact CB-CD1 4.26Å; A95-L233 HydrophobicContact CB-CD2 4.24Å; A95-L233 HydrophobicContact CB-CG 4.22Å
96F59.7Low58.5Low139 Ų13984 Ų8461%0.6144%0.444SS*.  trans-57.4130.8161.1-65.3-77.6000105.2F94 Q98F94-F96 HydrophobicContact CB-CD2 4.27Å; F94-F96 HydrophobicContact CB-CE2 3.86Å; F94-F96 HydrophobicContact CB-CZ 4.49Å; F94-F96 WeakPolarHBondContact O-CD2 3.45Å; F94-F96 PolarHBondContact O-N 3.11Å; F96-Q98 WeakPolarHBondContact O-CG 3.26Å; F96-Q98 PolarHBondContact O-N 3.44Å
97C68.8Low59.9Low42 Ų4286.3 Ų86.328%0.28446%0.461SS..  trans-53.3118.1176.5-171.90000108.2A95 S99 C102 C105A95-C97 PolarHBondContact O-N 2.99Å; C97-S99 VanDerWaalsContact C-N 3.3Å; C97-C102 WeakPolarHBondContact SG-CB 3.49Å; C97-C105 HydrophobicContact CB-CB 4.45Å; C97-C105 VanDerWaalsContact CB-SG 3.51Å
98Q66.9Low61Low195 Ų19582.6 Ų82.691%0.91145%0.452SS*.  trans-86.1-7.7-177.8-62.2-177.2-2.900112F96 S100F96-Q98 WeakPolarHBondContact O-CG 3.26Å; F96-Q98 PolarHBondContact O-N 3.44Å; Q98-S100 PolarHBondContact O-N 3.35Å
99S71.1Confident62.2Low23 Ų2378 Ų7816%0.16144%0.437CS..  trans-77120179.5174.90000110.6C97 E101 C102C97-S99 VanDerWaalsContact C-N 3.3Å; S99-E101 PolarHBondContact O-N 3.36Å; S99-E101 PolarHBondContact OG-N 3.34Å; S99-C102 PolarHBondContact O-N 2.96Å; S99-C102 PolarHBondContact OG-N 3.39Å
100S69.7Low63.2Low88 Ų8879.9 Ų79.962%0.61545%0.446SS*.THydrogen-bonded Turntrans-63.9-23.2171.357.10000112.7Q98 T106Q98-S100 PolarHBondContact O-N 3.35Å; S100-T106 PolarHBondContact O-OG1 2.79Å
101E73.6Confident64.5Low76 Ų7676.2 Ų76.236%0.35544%0.435SS..THydrogen-bonded Turntrans-1005-176.9-58.6-50.1132.800113.6S99 F103 R115S99-E101 PolarHBondContact O-N 3.36Å; S99-E101 PolarHBondContact OG-N 3.34Å; E101-F103 PolarHBondContact O-N 3.45Å; E101-F103 VanDerWaalsContact O-N 3.13Å; E101-R115 IonicContact OE2-CZ 3.83Å; E101-R115 IonicContact OE2-NH1 2.74Å; E101-R115 PolarHBondContact OE2-NH1 2.74Å
102C79.7Confident66.1Low6 Ų669.5 Ų69.54%0.04140%0.404CS..  trans-61.5118.5179.71780000111.5C97 S99 R104 C105 T106C97-C102 WeakPolarHBondContact SG-CB 3.49Å; S99-C102 PolarHBondContact O-N 2.96Å; S99-C102 PolarHBondContact OG-N 3.39Å; C102-R104 PolarHBondContact O-N 3.09Å; C102-R104 PolarHBondContact SG-N 3.19Å; C102-C105 HydrophobicContact CB-CB 4.11Å; C102-C105 PolarHBondContact O-N 3.2Å; C102-T106 PolarHBondContact O-N 3.16Å; C102-T106 PolarHBondContact O-OG1 3.18Å
103F81.4Confident67.6Low21 Ų2169.4 Ų69.49%0.09240%0.404CS..THydrogen-bonded Turntrans-51.2-31.2177.2-72.1-80.1000113.9E101 L112 R115 L116 V157 I357 F358E101-F103 PolarHBondContact O-N 3.45Å; E101-F103 VanDerWaalsContact O-N 3.13Å; F103-L112 HydrophobicContact CB-CD1 4.42Å; F103-L112 HydrophobicContact CD1-CD1 3.54Å; F103-L112 HydrophobicContact CD1-CG 4.42Å; F103-L112 HydrophobicContact CE1-CD1 4.27Å; F103-L112 HydrophobicContact CG-CD1 4.44Å; F103-R115 HydrophobicContact CE1-CB 3.8Å; F103-R115 HydrophobicContact CZ-CB 4.06Å; F103-L116 HydrophobicContact CD1-CD2 3.53Å; F103-L116 HydrophobicContact CD1-CG 3.89Å; F103-L116 HydrophobicContact CE1-CB 4.39Å; F103-L116 HydrophobicContact CE1-CD2 3.38Å; F103-L116 HydrophobicContact CE1-CG 3.58Å; F103-L116 HydrophobicContact CG-CD2 4.27Å; F103-L116 HydrophobicContact CZ-CD2 3.96Å; F103-L116 HydrophobicContact CZ-CG 4.45Å; F103-V157 HydrophobicContact CB-CG1 4.17Å; F103-V157 WeakPolarHBondContact O-CG1 3.43Å; F103-I357 WeakPolarHBondContact CE2-O 3.44Å; F103-F358 HydrophobicContact CB-CD1 3.81Å; F103-F358 HydrophobicContact CB-CE1 3.8Å; F103-F358 HydrophobicContact CD1-CE1 4.26Å; F103-F358 AromaticContact CD2-CD1 3.86Å; F103-F358 HydrophobicContact CD2-CD1 3.86Å; F103-F358 HydrophobicContact CD2-CE1 4.2Å; F103-F358 AromaticContact CG-CD1 3.88Å; F103-F358 HydrophobicContact CG-CD1 3.88Å; F103-F358 AromaticContact CG-CE1 3.83Å; F103-F358 HydrophobicContact CG-CE1 3.83Å
104R80.7Confident69.2Low74 Ų7474 Ų7428%0.27941%0.414SS..THydrogen-bonded Turntrans-82.3-26.2179.6-175174.3175.3-167.2-5.7113.9C102 V157 Q229 V258 N261 P279C102-R104 PolarHBondContact O-N 3.09Å; C102-R104 PolarHBondContact SG-N 3.19Å; R104-V157 HydrophobicContact CB-CG2 4.32Å; R104-V157 HydrophobicContact CG-CG2 4.24Å; R104-Q229 VanDerWaalsContact NH1-CG 3.31Å; R104-V258 HydrophobicContact CB-CB 4.5Å; R104-V258 HydrophobicContact CB-CG2 4.3Å; R104-V258 PolarHBondContact NH1-O 3.09Å; R104-N261 PolarHBondContact NH1-ND2 3.17Å; R104-P279 HydrophobicContact CG-CB 4.45Å
105C78.1Confident70.7Confident71 Ų7170.4 Ų70.448%0.4840%0.397SS..THydrogen-bonded Turntrans-108-21.8-172.5-62.70000113.6C97 C102C97-C105 HydrophobicContact CB-CB 4.45Å; C97-C105 VanDerWaalsContact CB-SG 3.51Å; C102-C105 HydrophobicContact CB-CB 4.11Å; C102-C105 PolarHBondContact O-N 3.2Å
106T72Confident72.4Confident39 Ų3968.8 Ų68.824%0.23938%0.384CS..SBendtrans-76.9136.5172.6-40.90000110.2S100 C102 A108S100-T106 PolarHBondContact O-OG1 2.79Å; C102-T106 PolarHBondContact O-N 3.16Å; C102-T106 PolarHBondContact O-OG1 3.18Å; T106-A108 PolarHBondContact O-N 3.34Å
107S58.9Low73.7Confident100 Ų10066.7 Ų66.770%0.69937%0.372SS*.PPolyproline II helixtrans-53.4129.7176.446.60000112.4
108A57.6Low74.7Confident75 Ų7568 Ų6862%0.6238%0.375SS*.PPolyproline II helixtrans-61.7134.317800000111.7T106 L112T106-A108 PolarHBondContact O-N 3.34Å; A108-L112 HydrophobicContact CB-CD2 4.3Å
109G61.7Low75.8Confident37 Ų3759 Ų5938%0.38133%0.333SS..SBendtrans-175.2-177.3179.800000111.7S111 L112G109-S111 PolarHBondContact O-N 3.33Å; G109-S111 VanDerWaalsContact O-N 3.11Å; G109-L112 VanDerWaalsContact O-CB 3.27Å; G109-L112 WeakPolarHBondContact O-CB 3.32Å; G109-L112 PolarHBondContact O-N 3.04Å
110E59.8Low76.8Confident165 Ų16558 Ų5877%0.77133%0.325SS*.Hα-helixtrans-54.1-31.4178.9-73-179.1169.900113.2L112 N113 Q114E110-L112 VanDerWaalsContact C-N 3.28Å; E110-L112 PolarHBondContact O-N 3.14Å; E110-N113 PolarHBondContact O-N 3.36Å; E110-Q114 PolarHBondContact O-N 2.95Å
111S70.3Confident77.8Confident61 Ų6156.8 Ų56.843%0.42731%0.31SS..Hα-helixtrans-65.7-2517560.60000114G109 R115G109-S111 PolarHBondContact O-N 3.33Å; G109-S111 VanDerWaalsContact O-N 3.11Å; S111-R115 WeakPolarHBondContact O-CB 3.25Å; S111-R115 VanDerWaalsContact O-CG 3.28Å; S111-R115 WeakPolarHBondContact O-CG 3.39Å; S111-R115 PolarHBondContact O-N 2.86Å; S111-R115 PolarHBondContact O-NE 3.14Å
112L77.8Confident78.7Confident5 Ų555.3 Ų55.33%0.02630%0.303CS..Hα-helixtrans-70-48.3176.5-17173.4000110.8F103 A108 G109 E110 Q114 R115 L116F103-L112 HydrophobicContact CB-CD1 4.42Å; F103-L112 HydrophobicContact CD1-CD1 3.54Å; F103-L112 HydrophobicContact CD1-CG 4.42Å; F103-L112 HydrophobicContact CE1-CD1 4.27Å; F103-L112 HydrophobicContact CG-CD1 4.44Å; A108-L112 HydrophobicContact CB-CD2 4.3Å; G109-L112 VanDerWaalsContact O-CB 3.27Å; G109-L112 WeakPolarHBondContact O-CB 3.32Å; G109-L112 PolarHBondContact O-N 3.04Å; E110-L112 VanDerWaalsContact C-N 3.28Å; E110-L112 PolarHBondContact O-N 3.14Å; L112-Q114 VanDerWaalsContact C-N 3.33Å; L112-Q114 PolarHBondContact O-N 3.33Å; L112-R115 PolarHBondContact O-N 2.85Å; L112-L116 HydrophobicContact CG-CD1 4.34Å; L112-L116 WeakPolarHBondContact O-CG 3.3Å; L112-L116 PolarHBondContact O-N 3.06Å
113N77.1Confident79.3Confident53 Ų5355.1 Ų55.128%0.28330%0.302SS..Hα-helixtrans-64.6-39.7-178.8-66.9-21.3000111.5E110 L116 Y117E110-N113 PolarHBondContact O-N 3.36Å; N113-L116 PolarHBondContact O-N 3.08Å; N113-Y117 WeakPolarHBondContact O-CB 3.44Å; N113-Y117 PolarHBondContact O-N 3.12Å
114Q81.8Confident79.8Confident138 Ų13854.6 Ų54.665%0.64530%0.301SS*.Hα-helixtrans-61.8-45.9174.7-71.9176.3-5.500111.9E110 L112 Y117 H118E110-Q114 PolarHBondContact O-N 2.95Å; L112-Q114 VanDerWaalsContact C-N 3.33Å; L112-Q114 PolarHBondContact O-N 3.33Å; Q114-Y117 PolarHBondContact O-N 3.08Å; Q114-H118 WeakPolarHBondContact O-CB 3.25Å; Q114-H118 PolarHBondContact O-N 2.88Å
115R85.3Confident80.4Confident35 Ų3559 Ų5913%0.13232%0.322CS..Hα-helixtrans-64-40176.9-74.4-176.5-61.4166.411.1112.7E101 F103 S111 L112 H118 S119E101-R115 IonicContact OE2-CZ 3.83Å; E101-R115 IonicContact OE2-NH1 2.74Å; E101-R115 PolarHBondContact OE2-NH1 2.74Å; F103-R115 HydrophobicContact CE1-CB 3.8Å; F103-R115 HydrophobicContact CZ-CB 4.06Å; S111-R115 WeakPolarHBondContact O-CB 3.25Å; S111-R115 VanDerWaalsContact O-CG 3.28Å; S111-R115 WeakPolarHBondContact O-CG 3.39Å; S111-R115 PolarHBondContact O-N 2.86Å; S111-R115 PolarHBondContact O-NE 3.14Å; L112-R115 PolarHBondContact O-N 2.85Å; R115-H118 PolarHBondContact O-N 3.31Å; R115-S119 WeakPolarHBondContact O-CB 3.14Å; R115-S119 PolarHBondContact O-N 2.71Å; R115-S119 PolarHBondContact O-OG 3.18Å
116L87.8Confident81.1Confident1 Ų162.8 Ų62.81%0.00533%0.327CS..Hα-helixtrans-62.4-45.9175.1-74.5173.6000111.3F103 L112 N113 S119 L120 V139 F158 I357 F358F103-L116 HydrophobicContact CD1-CD2 3.53Å; F103-L116 HydrophobicContact CD1-CG 3.89Å; F103-L116 HydrophobicContact CE1-CB 4.39Å; F103-L116 HydrophobicContact CE1-CD2 3.38Å; F103-L116 HydrophobicContact CE1-CG 3.58Å; F103-L116 HydrophobicContact CG-CD2 4.27Å; F103-L116 HydrophobicContact CZ-CD2 3.96Å; F103-L116 HydrophobicContact CZ-CG 4.45Å; L112-L116 HydrophobicContact CG-CD1 4.34Å; L112-L116 WeakPolarHBondContact O-CG 3.3Å; L112-L116 PolarHBondContact O-N 3.06Å; N113-L116 PolarHBondContact O-N 3.08Å; L116-S119 PolarHBondContact O-N 3.11Å; L116-L120 WeakPolarHBondContact O-CB 3.43Å; L116-L120 PolarHBondContact O-N 3.23Å; L116-V139 HydrophobicContact CB-CG1 3.9Å; L116-V139 HydrophobicContact CB-CG2 4.32Å; L116-F158 HydrophobicContact CD1-CD2 4.48Å; L116-I357 HydrophobicContact CD2-CG2 3.74Å; L116-F358 HydrophobicContact CD2-CE1 3.58Å; L116-F358 HydrophobicContact CD2-CE2 4.34Å; L116-F358 HydrophobicContact CD2-CZ 3.41Å; L116-F358 VanDerWaalsContact CD2-CZ 3.41Å
117Y88.3Confident82Confident95 Ų9567 Ų6737%0.37334%0.339SS..Hα-helixtrans-63.9-43.5178.4-170.5-106.4000111.9N113 Q114 L120 Q121 V139N113-Y117 WeakPolarHBondContact O-CB 3.44Å; N113-Y117 PolarHBondContact O-N 3.12Å; Q114-Y117 PolarHBondContact O-N 3.08Å; Y117-L120 PolarHBondContact O-N 3.21Å; Y117-Q121 HydrophobicContact CD1-CG 4.32Å; Y117-Q121 VanDerWaalsContact CE1-CD 3.44Å; Y117-Q121 HydrophobicContact CE1-CG 4.04Å; Y117-Q121 WeakPolarHBondContact O-CG 3.35Å; Y117-Q121 PolarHBondContact O-N 3.06Å; Y117-V139 HydrophobicContact CD2-CG1 4.09Å
118H89.5Confident83.4Confident71 Ų7165.5 Ų65.533%0.32933%0.326SS..Hα-helixtrans-59.5-48.3174.7-173.8-101000111.9Q114 R115 L120 Q121 E122Q114-H118 WeakPolarHBondContact O-CB 3.25Å; Q114-H118 PolarHBondContact O-N 2.88Å; R115-H118 PolarHBondContact O-N 3.31Å; H118-L120 VanDerWaalsContact C-N 3.29Å; H118-L120 PolarHBondContact O-N 3.44Å; H118-Q121 WeakPolarHBondContact O-CB 3.41Å; H118-Q121 PolarHBondContact O-N 3.02Å; H118-Q121 VanDerWaalsContact O-N 3.11Å; H118-E122 IonicContact CE1-OE1 3.81Å; H118-E122 PolarHBondContact CE1-OE1 2.89Å; H118-E122 IonicContact ND1-OE1 2.6Å; H118-E122 IonicContact NE2-OE1 3.09Å; H118-E122 PolarHBondContact O-N 3.13Å
119S90.2Very high84.8Confident6 Ų668 Ų684%0.04232%0.319CS..Hα-helixtrans-60.6-38.7178.6-600000112.2R115 L116 E122 Y123R115-S119 WeakPolarHBondContact O-CB 3.14Å; R115-S119 PolarHBondContact O-N 2.71Å; R115-S119 PolarHBondContact O-OG 3.18Å; L116-S119 PolarHBondContact O-N 3.11Å; S119-E122 PolarHBondContact O-N 3.36Å; S119-Y123 PolarHBondContact O-N 3.08Å
120L91.3Very high86.2Confident0 Ų070.4 Ų70.40%033%0.331CS..Hα-helixtrans-66.5-41.2174.9177.662000111.9L116 Y117 H118 Y123 A124 W129 V135 H136 V139 I357L116-L120 WeakPolarHBondContact O-CB 3.43Å; L116-L120 PolarHBondContact O-N 3.23Å; Y117-L120 PolarHBondContact O-N 3.21Å; H118-L120 VanDerWaalsContact C-N 3.29Å; H118-L120 PolarHBondContact O-N 3.44Å; L120-Y123 WeakPolarHBondContact O-CB 3.5Å; L120-Y123 PolarHBondContact O-N 2.8Å; L120-A124 WeakPolarHBondContact O-CB 3.5Å; L120-A124 PolarHBondContact O-N 3.35Å; L120-W129 HydrophobicContact CD1-CZ3 4.26Å; L120-W129 HydrophobicContact CD2-CH2 4.44Å; L120-W129 HydrophobicContact CD2-CZ3 4.04Å; L120-W129 HydrophobicContact CG-CH2 4.12Å; L120-W129 HydrophobicContact CG-CZ3 3.9Å; L120-V135 HydrophobicContact CD1-CG1 4.06Å; L120-H136 HydrophobicContact CD2-CB 4.13Å; L120-V139 HydrophobicContact CD2-CB 4.16Å; L120-V139 HydrophobicContact CD2-CG1 4.36Å; L120-V139 HydrophobicContact CD2-CG2 4.13Å; L120-I357 HydrophobicContact CB-CD1 4.09Å; L120-I357 HydrophobicContact CD1-CD1 4.05Å
121Q91.8Very high87.5Confident63 Ų6364.9 Ų64.929%0.29432%0.317SS..Hα-helixtrans-63.8-42.2175.6-73.1-177.4-37.300111.8Y117 H118 A124 K125Y117-Q121 HydrophobicContact CD1-CG 4.32Å; Y117-Q121 VanDerWaalsContact CE1-CD 3.44Å; Y117-Q121 HydrophobicContact CE1-CG 4.04Å; Y117-Q121 WeakPolarHBondContact O-CG 3.35Å; Y117-Q121 PolarHBondContact O-N 3.06Å; H118-Q121 WeakPolarHBondContact O-CB 3.41Å; H118-Q121 PolarHBondContact O-N 3.02Å; H118-Q121 VanDerWaalsContact O-N 3.11Å; Q121-A124 PolarHBondContact O-N 3.29Å; Q121-K125 WeakPolarHBondContact O-CB 3.46Å; Q121-K125 VanDerWaalsContact O-CG 3.26Å; Q121-K125 WeakPolarHBondContact O-CG 3.39Å; Q121-K125 PolarHBondContact O-N 3.06Å
122E92.1Very high88.4Confident45 Ų4562.1 Ų62.121%0.2130%0.298CS..Hα-helixtrans-63-42.6175.5-72-173.8146.500112.4H118 S119 A124 K125 R126 Y356 R362H118-E122 IonicContact CE1-OE1 3.81Å; H118-E122 PolarHBondContact CE1-OE1 2.89Å; H118-E122 IonicContact ND1-OE1 2.6Å; H118-E122 IonicContact NE2-OE1 3.09Å; H118-E122 PolarHBondContact O-N 3.13Å; S119-E122 PolarHBondContact O-N 3.36Å; E122-A124 PolarHBondContact O-N 3.46Å; E122-K125 PolarHBondContact O-N 3.48Å; E122-R126 WeakPolarHBondContact O-CG 3.46Å; E122-R126 PolarHBondContact O-N 3.08Å; E122-R126 VanDerWaalsContact O-N 3.1Å; E122-Y356 HydrophobicContact CB-CE1 4.23Å; E122-R362 IonicContact OE2-CZ 3.41Å; E122-R362 IonicContact OE2-NH2 2.68Å; E122-R362 PolarHBondContact OE2-NH2 3.43Å
123Y92.9Very high89Confident2 Ų264.6 Ų64.61%0.00832%0.324CS..Hα-helixtrans-56.5-52172.9177.6-98.9000110.8S119 L120 K125 R126 Y127 M132 Q352 A353 Y356S119-Y123 PolarHBondContact O-N 3.08Å; L120-Y123 WeakPolarHBondContact O-CB 3.5Å; L120-Y123 PolarHBondContact O-N 2.8Å; Y123-K125 VanDerWaalsContact C-N 3.3Å; Y123-K125 PolarHBondContact O-N 3Å; Y123-R126 PolarHBondContact O-N 3.26Å; Y123-R126 VanDerWaalsContact O-N 3.07Å; Y123-Y127 AromaticContact CD2-CD2 3.38Å; Y123-Y127 HydrophobicContact CD2-CD2 3.38Å; Y123-Y127 AromaticContact CD2-CE2 3.85Å; Y123-Y127 HydrophobicContact CD2-CE2 3.85Å; Y123-Y127 HydrophobicContact CD2-CG 4.34Å; Y123-Y127 AromaticContact CE2-CD2 3.34Å; Y123-Y127 HydrophobicContact CE2-CD2 3.34Å; Y123-Y127 AromaticContact CE2-CE2 3.89Å; Y123-Y127 HydrophobicContact CE2-CE2 3.89Å; Y123-Y127 AromaticContact CE2-CG 3.95Å; Y123-Y127 HydrophobicContact CE2-CG 3.95Å; Y123-Y127 HydrophobicContact CG-CD2 4.12Å; Y123-Y127 WeakPolarHBondContact O-CD2 3.23Å; Y123-Y127 PolarHBondContact O-N 2.79Å; Y123-M132 HydrophobicContact CE1-CG 4.39Å; Y123-M132 HydrophobicContact CE1-SD 4.16Å; Y123-Q352 HydrophobicContact CE2-CG 4.14Å; Y123-Q352 WeakPolarHBondContact OH-CG 3.38Å; Y123-Q352 PolarHBondContact OH-OE1 3.43Å; Y123-A353 HydrophobicContact CD1-CB 3.88Å; Y123-A353 HydrophobicContact CD2-CB 4.44Å; Y123-A353 HydrophobicContact CE1-CB 3.58Å; Y123-A353 HydrophobicContact CE2-CB 4.18Å; Y123-A353 HydrophobicContact CG-CB 4.29Å; Y123-Y356 AromaticContact CD2-CD1 3.77Å; Y123-Y356 HydrophobicContact CD2-CD1 3.77Å; Y123-Y356 HydrophobicContact CD2-CD2 4.3Å; Y123-Y356 HydrophobicContact CD2-CE1 4.47Å; Y123-Y356 AromaticContact CD2-CG 3.64Å; Y123-Y356 HydrophobicContact CD2-CG 3.64Å; Y123-Y356 HydrophobicContact CG-CD1 4.12Å; Y123-Y356 HydrophobicContact CG-CG 4.44Å
124A91.9Very high89.8Confident10 Ų1064.6 Ų64.68%0.08332%0.32CS..Hα-helixtrans-67.5-30.3-175.600000113.2L120 Q121 E122 W129L120-A124 WeakPolarHBondContact O-CB 3.5Å; L120-A124 PolarHBondContact O-N 3.35Å; Q121-A124 PolarHBondContact O-N 3.29Å; E122-A124 PolarHBondContact O-N 3.46Å; A124-W129 HydrophobicContact CB-CD2 3.44Å; A124-W129 VanDerWaalsContact CB-CD2 3.44Å; A124-W129 HydrophobicContact CB-CE3 3.93Å; A124-W129 HydrophobicContact CB-CG 3.9Å; A124-W129 HydrophobicContact CB-CH2 3.93Å; A124-W129 HydrophobicContact CB-CZ2 3.44Å; A124-W129 VanDerWaalsContact CB-CZ2 3.44Å; A124-W129 HydrophobicContact CB-CZ3 4.14Å
125K92.8Very high90.4Very high166 Ų16658 Ų5872%0.72229%0.29SS*.Hα-helixtrans-64.6-38.8170.5-76172.2-174.81760112.2Q121 E122 Y123Q121-K125 WeakPolarHBondContact O-CB 3.46Å; Q121-K125 VanDerWaalsContact O-CG 3.26Å; Q121-K125 WeakPolarHBondContact O-CG 3.39Å; Q121-K125 PolarHBondContact O-N 3.06Å; E122-K125 PolarHBondContact O-N 3.48Å; Y123-K125 VanDerWaalsContact C-N 3.3Å; Y123-K125 PolarHBondContact O-N 3Å
126R91.8Very high90.7Very high152 Ų15259.1 Ų59.157%0.57430%0.296SS*.Hα-helixtrans-82.6-31-178.1-69.4-178.7-173.4-168.93.7113.2E122 Y123 Y356E122-R126 WeakPolarHBondContact O-CG 3.46Å; E122-R126 PolarHBondContact O-N 3.08Å; E122-R126 VanDerWaalsContact O-N 3.1Å; Y123-R126 PolarHBondContact O-N 3.26Å; Y123-R126 VanDerWaalsContact O-N 3.07Å; R126-Y356 WeakPolarHBondContact CD-OH 3.27Å; R126-Y356 VanDerWaalsContact CZ-OH 3.22Å; R126-Y356 PolarHBondContact NE-OH 2.79Å; R126-Y356 PolarHBondContact NH1-OH 2.74Å
127Y90.9Very high90.9Very high127 Ų12762 Ų6250%0.49831%0.309SS..SBendtrans-124.4-96.1-172-56.5-77.1000111.6Y123 Y356Y123-Y127 AromaticContact CD2-CD2 3.38Å; Y123-Y127 HydrophobicContact CD2-CD2 3.38Å; Y123-Y127 AromaticContact CD2-CE2 3.85Å; Y123-Y127 HydrophobicContact CD2-CE2 3.85Å; Y123-Y127 HydrophobicContact CD2-CG 4.34Å; Y123-Y127 AromaticContact CE2-CD2 3.34Å; Y123-Y127 HydrophobicContact CE2-CD2 3.34Å; Y123-Y127 AromaticContact CE2-CE2 3.89Å; Y123-Y127 HydrophobicContact CE2-CE2 3.89Å; Y123-Y127 AromaticContact CE2-CG 3.95Å; Y123-Y127 HydrophobicContact CE2-CG 3.95Å; Y123-Y127 HydrophobicContact CG-CD2 4.12Å; Y123-Y127 WeakPolarHBondContact O-CD2 3.23Å; Y123-Y127 PolarHBondContact O-N 2.79Å; Y127-Y356 HydrophobicContact CE2-CD2 4.15Å; Y127-Y356 HydrophobicContact CE2-CE2 4.28Å
128T89.2Confident91Very high69 Ų6957.5 Ų57.542%0.42329%0.291SS..  trans-162.4156.9-178.8-174.20000112.4S130T128-S130 WeakPolarHBondContact OG1-CB 3.49Å; T128-S130 PolarHBondContact OG1-N 2.84Å
129W87.9Confident90.9Very high127 Ų12754.3 Ų54.348%0.48128%0.276SS..SBendtrans-83.2-15.5166.8-73.3105.8000113.3L120 A124 G131 M132 H136L120-W129 HydrophobicContact CD1-CZ3 4.26Å; L120-W129 HydrophobicContact CD2-CH2 4.44Å; L120-W129 HydrophobicContact CD2-CZ3 4.04Å; L120-W129 HydrophobicContact CG-CH2 4.12Å; L120-W129 HydrophobicContact CG-CZ3 3.9Å; A124-W129 HydrophobicContact CB-CD2 3.44Å; A124-W129 VanDerWaalsContact CB-CD2 3.44Å; A124-W129 HydrophobicContact CB-CE3 3.93Å; A124-W129 HydrophobicContact CB-CG 3.9Å; A124-W129 HydrophobicContact CB-CH2 3.93Å; A124-W129 HydrophobicContact CB-CZ2 3.44Å; A124-W129 VanDerWaalsContact CB-CZ2 3.44Å; A124-W129 HydrophobicContact CB-CZ3 4.14Å; W129-G131 PolarHBondContact O-N 3.44Å; W129-M132 WeakPolarHBondContact O-CB 3.36Å; W129-M132 PolarHBondContact O-N 2.87Å; W129-M132 VanDerWaalsContact O-N 3.15Å; W129-H136 AromaticContact CZ3-CD2 3.73Å
130S90Very high90.8Very high88 Ų8861.3 Ų61.362%0.61530%0.302SS*.THydrogen-bonded Turntrans-60.9131.3-174.6-170.60000111.5T128 M132T128-S130 WeakPolarHBondContact OG1-CB 3.49Å; T128-S130 PolarHBondContact OG1-N 2.84Å; S130-M132 VanDerWaalsContact C-N 3.28Å; S130-M132 PolarHBondContact O-N 3.45Å
131G87.1Confident90.3Very high48 Ų4863.1 Ų63.150%0.49531%0.312SS..THydrogen-bonded Turntrans76.64.3-178.900000115.5W129W129-G131 PolarHBondContact O-N 3.44Å
132M88.4Confident89.7Confident4 Ų460.1 Ų60.12%0.0230%0.298CS..  trans-93.312.7-175.4-63.3-55.2103.400114.7Y123 W129 S130 R134 V135 H136 A349 E350 A353Y123-M132 HydrophobicContact CE1-CG 4.39Å; Y123-M132 HydrophobicContact CE1-SD 4.16Å; W129-M132 WeakPolarHBondContact O-CB 3.36Å; W129-M132 PolarHBondContact O-N 2.87Å; W129-M132 VanDerWaalsContact O-N 3.15Å; S130-M132 VanDerWaalsContact C-N 3.28Å; S130-M132 PolarHBondContact O-N 3.45Å; M132-R134 PolarHBondContact O-N 3.47Å; M132-V135 PolarHBondContact O-N 2.83Å; M132-V135 VanDerWaalsContact O-N 3.17Å; M132-V135 HydrophobicContact SD-CG2 4.44Å; M132-H136 WeakPolarHBondContact O-CB 3.45Å; M132-H136 PolarHBondContact O-N 3.36Å; M132-A349 HydrophobicContact CE-CB 3.32Å; M132-A349 WeakPolarHBondContact CE-O 3.44Å; M132-E350 HydrophobicContact CE-CG 4.32Å; M132-A353 HydrophobicContact SD-CB 3.36Å; M132-A353 WeakPolarHBondContact SD-CB 3.48Å
133G91.6Very high88.8Confident56 Ų5659.2 Ų59.258%0.57730%0.3SS*.Hα-helixtrans-53.9-47.9-170.400000113.9K137G133-K137 WeakPolarHBondContact O-CB 3.26Å; G133-K137 PolarHBondContact O-N 3.32Å; G133-K137 VanDerWaalsContact O-N 3.07Å
134R94.5Very high87.9Confident53 Ų5367.3 Ų67.320%0.233%0.331CS..Hα-helixtrans-73.5-37.4179.7-60.1-175.8-61-175.9-3.1112.3M132 K137 G138 L160 P161 D162 N345 E350M132-R134 PolarHBondContact O-N 3.47Å; R134-K137 PolarHBondContact O-N 2.85Å; R134-G138 PolarHBondContact O-N 3.25Å; R134-L160 HydrophobicContact CB-CD1 3.78Å; R134-L160 HydrophobicContact CB-CG 4.12Å; R134-P161 HydrophobicContact CB-CG 4.41Å; R134-P161 VanDerWaalsContact CD-O 3.29Å; R134-P161 WeakPolarHBondContact CD-O 3.48Å; R134-P161 WeakPolarHBondContact O-CD 3.29Å; R134-P161 WeakPolarHBondContact O-CG 3.32Å; R134-D162 PolarHBondContact NH1-O 3.23Å; R134-D162 VanDerWaalsContact NH1-O 3.15Å; R134-N345 PolarHBondContact NH1-O 2.97Å; R134-N345 PolarHBondContact NH2-O 3.1Å; R134-E350 WeakPolarHBondContact CB-OE1 3.44Å; R134-E350 IonicContact CZ-OE1 3.63Å; R134-E350 IonicContact CZ-OE2 3.46Å; R134-E350 IonicContact NE-OE1 2.7Å; R134-E350 PolarHBondContact NE-OE1 2.92Å; R134-E350 IonicContact NE-OE2 2.81Å; R134-E350 VanDerWaalsContact NH2-CD 3.34Å; R134-E350 IonicContact NH2-OE1 3.21Å; R134-E350 PolarHBondContact NH2-OE1 3.15Å; R134-E350 IonicContact NH2-OE2 3.94Å; R134-E350 PolarHBondContact NH2-OE2 2.97Å
135V93.8Very high87.1Confident0 Ų067.8 Ų67.80%033%0.33CS..Hα-helixtrans-62.3-47.2176.6178.40000110.2L120 M132 K137 G138 V139 L160 E350 L354 I357L120-V135 HydrophobicContact CD1-CG1 4.06Å; M132-V135 PolarHBondContact O-N 2.83Å; M132-V135 VanDerWaalsContact O-N 3.17Å; M132-V135 HydrophobicContact SD-CG2 4.44Å; V135-K137 PolarHBondContact O-N 3.4Å; V135-G138 PolarHBondContact O-N 3.48Å; V135-V139 HydrophobicContact CG1-CG2 4.47Å; V135-V139 WeakPolarHBondContact O-CG2 3.21Å; V135-V139 PolarHBondContact O-N 3.27Å; V135-L160 HydrophobicContact CB-CD1 4.38Å; V135-L160 HydrophobicContact CG2-CD1 3.82Å; V135-E350 HydrophobicContact CG2-CB 3.84Å; V135-E350 HydrophobicContact CG2-CG 3.86Å; V135-L354 HydrophobicContact CG1-CD2 4.43Å; V135-L354 HydrophobicContact CG2-CD2 4.49Å; V135-L354 HydrophobicContact CG2-CG 4.39Å; V135-I357 HydrophobicContact CG1-CD1 4.15Å
136H91.5Very high86.3Confident58 Ų5861.1 Ų61.127%0.26930%0.302SS..Hα-helixtrans-60.7-44.5176.3-179.1-100.2000112.1L120 W129 M132 V139 R140L120-H136 HydrophobicContact CD2-CB 4.13Å; W129-H136 AromaticContact CZ3-CD2 3.73Å; M132-H136 WeakPolarHBondContact O-CB 3.45Å; M132-H136 PolarHBondContact O-N 3.36Å; H136-V139 PolarHBondContact O-N 3.08Å; H136-R140 WeakPolarHBondContact O-CB 3.13Å; H136-R140 PolarHBondContact O-N 2.86Å
137K91.1Very high85.3Confident63 Ų6360.7 Ų60.727%0.27431%0.311SS..Hα-helixtrans-61.6-43.7174.7-174.7-178.4170.6-172.70111.9G133 R134 V135 R140 D141 Y145 P161 D162G133-K137 WeakPolarHBondContact O-CB 3.26Å; G133-K137 PolarHBondContact O-N 3.32Å; G133-K137 VanDerWaalsContact O-N 3.07Å; R134-K137 PolarHBondContact O-N 2.85Å; V135-K137 PolarHBondContact O-N 3.4Å; K137-R140 PolarHBondContact O-N 3.34Å; K137-D141 WeakPolarHBondContact O-CB 3.39Å; K137-D141 PolarHBondContact O-N 3.14Å; K137-Y145 WeakPolarHBondContact CE-OH 3.27Å; K137-P161 HydrophobicContact CB-CG 3.92Å; K137-P161 HydrophobicContact CD-CB 4.16Å; K137-P161 HydrophobicContact CD-CG 3.78Å; K137-P161 HydrophobicContact CG-CG 3.82Å; K137-D162 IonicContact NZ-OD1 3.94Å; K137-D162 PolarHBondContact NZ-OD1 2.86Å; K137-D162 IonicContact NZ-OD2 3.25Å; K137-D162 PolarHBondContact NZ-OD2 2.87Å
138G89.8Confident83.9Confident0 Ų058.1 Ų58.10%031%0.312CS..Hα-helixtrans-60.4-49.4177.300000111.8R134 V135 R140 Q142R134-G138 PolarHBondContact O-N 3.25Å; V135-G138 PolarHBondContact O-N 3.48Å; G138-R140 PolarHBondContact O-N 2.99Å; G138-Q142 VanDerWaalsContact O-CA 3.27Å; G138-Q142 WeakPolarHBondContact O-CA 3.5Å; G138-Q142 VanDerWaalsContact O-CB 3.28Å; G138-Q142 WeakPolarHBondContact O-CB 3.33Å; G138-Q142 PolarHBondContact O-N 3.13Å; G138-Q142 PolarHBondContact O-OE1 3.43Å; G138-Q142 VanDerWaalsContact O-OE1 3.06Å
139V89.3Confident82.7Confident3 Ų360.9 Ų60.92%0.01832%0.315CS..Hα-helixtrans-62.1-43.1177.7171.60000112.2L116 Y117 L120 V135 H136 F158L116-V139 HydrophobicContact CB-CG1 3.9Å; L116-V139 HydrophobicContact CB-CG2 4.32Å; Y117-V139 HydrophobicContact CD2-CG1 4.09Å; L120-V139 HydrophobicContact CD2-CB 4.16Å; L120-V139 HydrophobicContact CD2-CG1 4.36Å; L120-V139 HydrophobicContact CD2-CG2 4.13Å; V135-V139 HydrophobicContact CG1-CG2 4.47Å; V135-V139 WeakPolarHBondContact O-CG2 3.21Å; V135-V139 PolarHBondContact O-N 3.27Å; H136-V139 PolarHBondContact O-N 3.08Å; V139-F158 HydrophobicContact CG2-CE2 4.01Å
140R86.5Confident81.4Confident154 Ų15461.6 Ų61.658%0.58134%0.336SS*.Hα-helixtrans-69.3-43.5-178.8-170.7-172.967.7-163.4-6.6112.6H136 K137 G138H136-R140 WeakPolarHBondContact O-CB 3.13Å; H136-R140 PolarHBondContact O-N 2.86Å; K137-R140 PolarHBondContact O-N 3.34Å; G138-R140 PolarHBondContact O-N 2.99Å
141D81.6Confident80.8Confident38 Ų3860 Ų6020%0.20332%0.322CS..Hα-helixtrans-104.316.8-169.9-56.3-25.3000111.9K137 G143 R144 Y145K137-D141 WeakPolarHBondContact O-CB 3.39Å; K137-D141 PolarHBondContact O-N 3.14Å; D141-G143 PolarHBondContact O-N 2.77Å; D141-R144 WeakPolarHBondContact O-CB 3.32Å; D141-R144 PolarHBondContact O-N 3.31Å; D141-Y145 HydrophobicContact CB-CD2 4.26Å; D141-Y145 HydrophobicContact CB-CE2 3.78Å; D141-Y145 WeakPolarHBondContact O-CD2 3.36Å; D141-Y145 PolarHBondContact O-N 3.21Å
142Q79.8Confident80.7Confident0 Ų062 Ų620%032%0.321CS..Hα-helixtrans-54.5-46.4-172.7-167.360.441.800112.8G138 R144 Y145 L146 F158G138-Q142 VanDerWaalsContact O-CA 3.27Å; G138-Q142 WeakPolarHBondContact O-CA 3.5Å; G138-Q142 VanDerWaalsContact O-CB 3.28Å; G138-Q142 WeakPolarHBondContact O-CB 3.33Å; G138-Q142 PolarHBondContact O-N 3.13Å; G138-Q142 PolarHBondContact O-OE1 3.43Å; G138-Q142 VanDerWaalsContact O-OE1 3.06Å; Q142-R144 PolarHBondContact O-N 2.88Å; Q142-Y145 PolarHBondContact O-N 2.9Å; Q142-L146 HydrophobicContact CG-CD1 3.99Å; Q142-L146 HydrophobicContact CG-CG 4.24Å; Q142-L146 VanDerWaalsContact NE2-CG 3.31Å; Q142-L146 WeakPolarHBondContact O-CG 3.5Å; Q142-L146 PolarHBondContact O-N 3.41Å; Q142-F158 VanDerWaalsContact OE1-CD2 3.25Å
143G72.6Confident80.9Confident25 Ų2562.4 Ų62.426%0.25832%0.323SS..Hα-helixtrans-59-31.3178.700000113.1D141 N147D141-G143 PolarHBondContact O-N 2.77Å; G143-N147 VanDerWaalsContact O-CB 3.29Å; G143-N147 WeakPolarHBondContact O-CB 3.41Å; G143-N147 PolarHBondContact O-N 2.83Å; G143-N147 VanDerWaalsContact O-N 3.08Å
144R74.5Confident80.8Confident173 Ų17365.5 Ų65.565%0.65332%0.317SS*.Hα-helixtrans-68.7-45.6175.2-164.9-178.3-164.3167.54.8111D141 Q142 S148D141-R144 WeakPolarHBondContact O-CB 3.32Å; D141-R144 PolarHBondContact O-N 3.31Å; Q142-R144 PolarHBondContact O-N 2.88Å; R144-S148 WeakPolarHBondContact CA-OG 3.46Å; R144-S148 VanDerWaalsContact CG-OG 3.24Å; R144-S148 WeakPolarHBondContact CG-OG 3.23Å; R144-S148 PolarHBondContact O-N 3.05Å; R144-S148 PolarHBondContact O-OG 2.58Å
145Y74.8Confident80.7Confident19 Ų1963.1 Ų63.18%0.07531%0.308CS..Hα-helixtrans-69.8-35.1-178.2-67.1-69.1000112.9K137 D141 Q142 R149 F159 P161K137-Y145 WeakPolarHBondContact CE-OH 3.27Å; D141-Y145 HydrophobicContact CB-CD2 4.26Å; D141-Y145 HydrophobicContact CB-CE2 3.78Å; D141-Y145 WeakPolarHBondContact O-CD2 3.36Å; D141-Y145 PolarHBondContact O-N 3.21Å; Q142-Y145 PolarHBondContact O-N 2.9Å; Y145-R149 VanDerWaalsContact CE1-CZ 3.45Å; Y145-F159 AromaticContact CD1-CD1 3.55Å; Y145-F159 HydrophobicContact CD1-CD1 3.55Å; Y145-F159 AromaticContact CD1-CE1 3.59Å; Y145-F159 HydrophobicContact CD1-CE1 3.59Å; Y145-F159 HydrophobicContact CD1-CG 4.48Å; Y145-F159 HydrophobicContact CD2-CD1 4.16Å; Y145-F159 HydrophobicContact CE1-CD1 4.19Å; Y145-F159 AromaticContact CE1-CE1 3.96Å; Y145-F159 HydrophobicContact CE1-CE1 3.96Å; Y145-F159 AromaticContact CG-CD1 3.56Å; Y145-F159 HydrophobicContact CG-CD1 3.56Å; Y145-F159 HydrophobicContact CG-CE1 4.11Å; Y145-F159 HydrophobicContact CG-CG 4.27Å; Y145-P161 HydrophobicContact CE1-CB 4.26Å; Y145-P161 HydrophobicContact CE2-CB 4.07Å; Y145-P161 HydrophobicContact CE2-CG 4.44Å; Y145-P161 WeakPolarHBondContact OH-CB 3.41Å
146L76.1Confident80.4Confident26 Ų2668.9 Ų68.914%0.13634%0.335CS..Hα-helixtrans-81.6-37.3-178.9-60.3-169.9000113.8Q142 P155 F159Q142-L146 HydrophobicContact CG-CD1 3.99Å; Q142-L146 HydrophobicContact CG-CG 4.24Å; Q142-L146 VanDerWaalsContact NE2-CG 3.31Å; Q142-L146 WeakPolarHBondContact O-CG 3.5Å; Q142-L146 PolarHBondContact O-N 3.41Å; L146-P155 HydrophobicContact CD2-CG 4.48Å; L146-P155 WeakPolarHBondContact CD2-O 3.44Å; L146-F159 HydrophobicContact CD2-CB 4.46Å
147N69.7Low80.3Confident143 Ų14366.4 Ų66.477%0.76532%0.324SS*.Hα-helixtrans-109.3-18-167.7-60.6-32000115.2G143G143-N147 VanDerWaalsContact O-CB 3.29Å; G143-N147 WeakPolarHBondContact O-CB 3.41Å; G143-N147 PolarHBondContact O-N 2.83Å; G143-N147 VanDerWaalsContact O-N 3.08Å
148S62.6Low80.4Confident73 Ų7363.4 Ų63.451%0.5131%0.311SS..SBendtrans-121.82.6-16572.70000116.1R144R144-S148 WeakPolarHBondContact CA-OG 3.46Å; R144-S148 VanDerWaalsContact CG-OG 3.24Å; R144-S148 WeakPolarHBondContact CG-OG 3.23Å; R144-S148 PolarHBondContact O-N 3.05Å; R144-S148 PolarHBondContact O-OG 2.58Å
149R62.6Low80.6Confident127 Ų12764.2 Ų64.248%0.47932%0.315SS..  trans-104.2118176.4-73.9-175.4166-165.6-8.1110.8Y145 T151Y145-R149 VanDerWaalsContact CE1-CZ 3.45Å; R149-T151 VanDerWaalsContact C-N 3.28Å; R149-T151 HydrophobicContact CB-CG2 3.67Å; R149-T151 PolarHBondContact O-N 2.88Å
150P61.2Low80.8Confident142 Ų14264.1 Ų64.192%0.92231%0.314SS*.  trans-7290.4162.628.8-29.8000107.8
151T78.4Confident81.1Confident55 Ų5556.8 Ų56.834%0.33729%0.286SS..  trans-137.9146.9-179.3172.40000109.2R149 Q153R149-T151 VanDerWaalsContact C-N 3.28Å; R149-T151 HydrophobicContact CB-CG2 3.67Å; R149-T151 PolarHBondContact O-N 2.88Å; T151-Q153 WeakPolarHBondContact CG2-O 3.47Å; T151-Q153 PolarHBondContact O-N 2.87Å; T151-Q153 PolarHBondContact OG1-N 3Å
152I84.5Confident81.6Confident91 Ų9159.8 Ų59.847%0.46730%0.302SS..SBendtrans-71.5-6.1170.857.5168.3000112.5Y277 F319 L320I152-Y277 WeakPolarHBondContact O-CE1 3.15Å; I152-F319 HydrophobicContact CD1-CD1 3.83Å; I152-F319 HydrophobicContact CD1-CE1 3.89Å; I152-F319 HydrophobicContact CG1-CD1 3.8Å; I152-F319 HydrophobicContact CG1-CE1 3.89Å; I152-F319 CarbonylContact O-C 3.52Å; I152-F319 WeakPolarHBondContact O-CA 3.43Å; I152-L320 PolarHBondContact O-N 2.9Å
153Q92.2Very high82.3Confident11 Ų1160.6 Ų60.65%0.05131%0.307CS..BIsolated β-bridgetrans-112.5104.2175.4-170.9-17422.400110.8T151 S165 D316 S318 F319T151-Q153 WeakPolarHBondContact CG2-O 3.47Å; T151-Q153 PolarHBondContact O-N 2.87Å; T151-Q153 PolarHBondContact OG1-N 3Å; Q153-S165 PolarHBondContact OE1-OG 3.16Å; Q153-D316 PolarHBondContact NE2-OD2 3.15Å; Q153-S318 CarbonylContact C-O 3.51Å; Q153-S318 WeakPolarHBondContact CA-O 3.47Å; Q153-S318 VanDerWaalsContact CG-OG 3.26Å; Q153-S318 WeakPolarHBondContact CG-OG 3.39Å; Q153-S318 PolarHBondContact NE2-OG 3.31Å; Q153-F319 HydrophobicContact CB-CD1 3.9Å; Q153-F319 HydrophobicContact CB-CD2 4.12Å; Q153-F319 HydrophobicContact CB-CE1 3.81Å; Q153-F319 HydrophobicContact CB-CE2 4.04Å; Q153-F319 HydrophobicContact CB-CG 4.05Å; Q153-F319 HydrophobicContact CB-CZ 3.88Å; Q153-F319 VanDerWaalsContact CD-CE2 3.43Å; Q153-F319 HydrophobicContact CG-CD1 4.47Å; Q153-F319 HydrophobicContact CG-CD2 3.78Å; Q153-F319 HydrophobicContact CG-CE1 4.42Å; Q153-F319 HydrophobicContact CG-CE2 3.72Å; Q153-F319 HydrophobicContact CG-CG 4.16Å; Q153-F319 HydrophobicContact CG-CZ 4.06Å
154R90.4Very high83.2Confident122 Ų12263 Ų6346%0.4632%0.318SS..  trans-142.578.2-173.3-168.4-17469.31752.7111.2Y277 S318R154-Y277 HydrophobicContact CB-CD1 4.04Å; R154-Y277 HydrophobicContact CB-CE1 3.75Å; R154-Y277 HydrophobicContact CB-CE2 4.45Å; R154-Y277 HydrophobicContact CB-CG 4.45Å; R154-Y277 VanDerWaalsContact O-CB 3.23Å; R154-Y277 WeakPolarHBondContact O-CB 3.4Å; R154-Y277 WeakPolarHBondContact O-CD1 3.18Å; R154-S318 PolarHBondContact N-O 3.28Å
155P91.3Very high83.9Confident3 Ų357.6 Ų57.62%0.01931%0.306CS..  trans-63.1153.7178.525.3-32.1000112L146 F159 G278 T280L146-P155 HydrophobicContact CD2-CG 4.48Å; L146-P155 WeakPolarHBondContact CD2-O 3.44Å; P155-F159 HydrophobicContact CG-CB 3.94Å; P155-F159 HydrophobicContact CG-CD2 3.6Å; P155-F159 HydrophobicContact CG-CG 4.27Å; P155-G278 CarbonylContact C-O 3.44Å; P155-G278 WeakPolarHBondContact CA-O 3.05Å; P155-T280 VanDerWaalsContact CB-CA 3.44Å
156E88.6Confident84.9Confident120 Ų12058.2 Ų58.256%0.56132%0.316SS*.SBendtrans-84.2-24.7-171.9-59.5-177.7151.300114.5G278E156-G278 PolarHBondContact N-O 3.13Å
157V89.3Confident85.9Confident7 Ų757.8 Ų57.84%0.04231%0.314CS..SBendtrans-119.2-54.3-168.4-176.30000112.2F103 R104 F259 P279 F358F103-V157 HydrophobicContact CB-CG1 4.17Å; F103-V157 WeakPolarHBondContact O-CG1 3.43Å; R104-V157 HydrophobicContact CB-CG2 4.32Å; R104-V157 HydrophobicContact CG-CG2 4.24Å; V157-F259 HydrophobicContact CB-CE1 3.93Å; V157-F259 HydrophobicContact CB-CZ 4.29Å; V157-F259 HydrophobicContact CG1-CE1 3.86Å; V157-F259 HydrophobicContact CG1-CZ 3.96Å; V157-F259 HydrophobicContact CG2-CE1 4.49Å; V157-P279 WeakPolarHBondContact CA-O 3.47Å; V157-P279 HydrophobicContact CB-CB 4.21Å; V157-P279 VanDerWaalsContact CB-O 3.29Å; V157-P279 WeakPolarHBondContact CB-O 3.5Å; V157-P279 HydrophobicContact CG2-CB 3.72Å; V157-P279 PolarHBondContact N-O 3.04Å; V157-F358 HydrophobicContact CG1-CE1 4.36Å
158F92.7Very high87.2Confident0 Ų052.5 Ų52.50%029%0.285CS..BIsolated β-bridgetrans-142.3137.9-173.4-175.5-105.4000112.4L116 V139 Q142 L160 F259 P279 T280 V282 L354 F358L116-F158 HydrophobicContact CD1-CD2 4.48Å; V139-F158 HydrophobicContact CG2-CE2 4.01Å; Q142-F158 VanDerWaalsContact OE1-CD2 3.25Å; F158-L160 HydrophobicContact CE1-CB 4Å; F158-L160 HydrophobicContact CE1-CD1 4.13Å; F158-L160 HydrophobicContact CZ-CD1 4.24Å; F158-F259 HydrophobicContact CB-CE2 4.11Å; F158-F259 HydrophobicContact CB-CZ 3.69Å; F158-P279 PolarHBondContact N-O 3.4Å; F158-T280 WeakPolarHBondContact O-CA 3.11Å; F158-T280 WeakPolarHBondContact O-CB 3.36Å; F158-T280 PolarHBondContact O-OG1 2.6Å; F158-V282 HydrophobicContact CD1-CG1 4.08Å; F158-V282 HydrophobicContact CE1-CG1 4.08Å; F158-L354 HydrophobicContact CD1-CD2 4.14Å; F158-L354 HydrophobicContact CE1-CD2 3.56Å; F158-L354 HydrophobicContact CZ-CD2 4.02Å; F158-F358 HydrophobicContact CB-CE1 4.38Å; F158-F358 HydrophobicContact CB-CE2 4.33Å; F158-F358 HydrophobicContact CB-CZ 3.71Å; F158-F358 HydrophobicContact CD1-CE2 4.15Å; F158-F358 HydrophobicContact CD1-CZ 4.31Å; F158-F358 HydrophobicContact CD2-CE2 4.22Å; F158-F358 AromaticContact CD2-CZ 3.79Å; F158-F358 HydrophobicContact CD2-CZ 3.79Å; F158-F358 AromaticContact CG-CE2 3.96Å; F158-F358 HydrophobicContact CG-CE2 3.96Å; F158-F358 AromaticContact CG-CZ 3.66Å; F158-F358 HydrophobicContact CG-CZ 3.66Å
159F93.6Very high88.9Confident17 Ų1750.7 Ų50.78%0.07527%0.268CS..  trans-127.3115.5178.7-175-88.6000108.9Y145 L146 P155 P161 N281Y145-F159 AromaticContact CD1-CD1 3.55Å; Y145-F159 HydrophobicContact CD1-CD1 3.55Å; Y145-F159 AromaticContact CD1-CE1 3.59Å; Y145-F159 HydrophobicContact CD1-CE1 3.59Å; Y145-F159 HydrophobicContact CD1-CG 4.48Å; Y145-F159 HydrophobicContact CD2-CD1 4.16Å; Y145-F159 HydrophobicContact CE1-CD1 4.19Å; Y145-F159 AromaticContact CE1-CE1 3.96Å; Y145-F159 HydrophobicContact CE1-CE1 3.96Å; Y145-F159 AromaticContact CG-CD1 3.56Å; Y145-F159 HydrophobicContact CG-CD1 3.56Å; Y145-F159 HydrophobicContact CG-CE1 4.11Å; Y145-F159 HydrophobicContact CG-CG 4.27Å; L146-F159 HydrophobicContact CD2-CB 4.46Å; P155-F159 HydrophobicContact CG-CB 3.94Å; P155-F159 HydrophobicContact CG-CD2 3.6Å; P155-F159 HydrophobicContact CG-CG 4.27Å; F159-P161 WeakPolarHBondContact O-CD 3.31Å; F159-N281 WeakPolarHBondContact CA-OD1 3.38Å; F159-N281 HydrophobicContact CD2-CB 4.35Å; F159-N281 HydrophobicContact CE2-CB 4.42Å; F159-N281 WeakPolarHBondContact CE2-ND2 3.43Å
160L94.9Very high90.6Very high0 Ų048 Ų480%027%0.268CS..  trans-85115.6172.4-168.970.8000108.9R134 V135 F158 L163 N281 V282 V346R134-L160 HydrophobicContact CB-CD1 3.78Å; R134-L160 HydrophobicContact CB-CG 4.12Å; V135-L160 HydrophobicContact CB-CD1 4.38Å; V135-L160 HydrophobicContact CG2-CD1 3.82Å; F158-L160 HydrophobicContact CE1-CB 4Å; F158-L160 HydrophobicContact CE1-CD1 4.13Å; F158-L160 HydrophobicContact CZ-CD1 4.24Å; L160-L163 HydrophobicContact CB-CD1 3.81Å; L160-L163 HydrophobicContact CB-CG 4.24Å; L160-L163 HydrophobicContact CD2-CD1 3.81Å; L160-L163 HydrophobicContact CD2-CD2 4.13Å; L160-L163 HydrophobicContact CD2-CG 3.89Å; L160-L163 HydrophobicContact CG-CD1 4.21Å; L160-L163 HydrophobicContact CG-CG 4.23Å; L160-N281 PolarHBondContact N-OD1 3.4Å; L160-N281 PolarHBondContact O-ND2 2.83Å; L160-V282 HydrophobicContact CB-CG1 3.51Å; L160-V282 HydrophobicContact CD2-CG1 4.07Å; L160-V282 HydrophobicContact CG-CG1 4.36Å; L160-V346 HydrophobicContact CD2-CG1 4.44Å; L160-V346 HydrophobicContact CD2-CG2 4.07Å
161P92.8Very high92.2Very high0 Ų045.3 Ų45.30%024%0.24CC..THydrogen-bonded Turntrans-68.2158-179.129.6-35.6000111.5R134 K137 Y145 F159 L163R134-P161 HydrophobicContact CB-CG 4.41Å; R134-P161 VanDerWaalsContact CD-O 3.29Å; R134-P161 WeakPolarHBondContact CD-O 3.48Å; R134-P161 WeakPolarHBondContact O-CD 3.29Å; R134-P161 WeakPolarHBondContact O-CG 3.32Å; K137-P161 HydrophobicContact CB-CG 3.92Å; K137-P161 HydrophobicContact CD-CB 4.16Å; K137-P161 HydrophobicContact CD-CG 3.78Å; K137-P161 HydrophobicContact CG-CG 3.82Å; Y145-P161 HydrophobicContact CE1-CB 4.26Å; Y145-P161 HydrophobicContact CE2-CB 4.07Å; Y145-P161 HydrophobicContact CE2-CG 4.44Å; Y145-P161 WeakPolarHBondContact OH-CB 3.41Å; F159-P161 WeakPolarHBondContact O-CD 3.31Å; P161-L163 PolarHBondContact O-N 2.88Å; P161-L163 VanDerWaalsContact O-N 3.16Å
162D91.8Very high93Very high101 Ų10146.8 Ų46.854%0.5424%0.243SC..THydrogen-bonded Turntrans59.926.7172.4-39.5-43.1000113.4R134 K137R134-D162 PolarHBondContact NH1-O 3.23Å; R134-D162 VanDerWaalsContact NH1-O 3.15Å; K137-D162 IonicContact NZ-OD1 3.94Å; K137-D162 PolarHBondContact NZ-OD1 2.86Å; K137-D162 IonicContact NZ-OD2 3.25Å; K137-D162 PolarHBondContact NZ-OD2 2.87Å
163L93.3Very high93.6Very high17 Ų1745.3 Ų45.39%0.08924%0.238CC..  trans-83.9129.3161.2-79.2179.4000109.2L160 P161 S165 V282 N345 V346L160-L163 HydrophobicContact CB-CD1 3.81Å; L160-L163 HydrophobicContact CB-CG 4.24Å; L160-L163 HydrophobicContact CD2-CD1 3.81Å; L160-L163 HydrophobicContact CD2-CD2 4.13Å; L160-L163 HydrophobicContact CD2-CG 3.89Å; L160-L163 HydrophobicContact CG-CD1 4.21Å; L160-L163 HydrophobicContact CG-CG 4.23Å; P161-L163 PolarHBondContact O-N 2.88Å; P161-L163 VanDerWaalsContact O-N 3.16Å; L163-S165 PolarHBondContact O-N 3.13Å; L163-V282 HydrophobicContact CD1-CG1 4.4Å; L163-N345 HydrophobicContact CD2-CB 3.93Å; L163-N345 WeakPolarHBondContact CD2-O 3.1Å; L163-V346 HydrophobicContact CD1-CG2 3.97Å; L163-V346 HydrophobicContact CD2-CG2 3.9Å
164P92.5Very high93.8Very high76 Ų7645.4 Ų45.449%0.49424%0.238SC..  trans-58.2128.6166.6-21.933.4000109.4H343 N345P164-H343 PolarHBondContact O-CE1 3.32Å; P164-H343 VanDerWaalsContact O-CE1 3.28Å; P164-H343 PolarHBondContact O-NE2 3.05Å; P164-H343 VanDerWaalsContact O-NE2 3.11Å; P164-N345 HydrophobicContact CG-CB 4.48Å
165S88.9Confident94.1Very high59 Ų5946.1 Ų46.141%0.41324%0.241SC..  trans-124.4144.3-176.764.30000111.8Q153 L163Q153-S165 PolarHBondContact OE1-OG 3.16Å; L163-S165 PolarHBondContact O-N 3.13Å
166A95.5Very high94.5Very high33 Ų3349.3 Ų49.327%0.27326%0.255SS..  trans-150.8151173.400000107.9F169 D316A166-F169 HydrophobicContact CB-CE2 4.18Å; A166-F169 HydrophobicContact CB-CZ 4.2Å; A166-F169 WeakPolarHBondContact O-CE2 3.31Å; A166-D316 WeakPolarHBondContact O-CB 3.39Å
167P97Very high94.9Very high16 Ų1643.6 Ų43.610%0.10423%0.229CC..SBendtrans-60.5-45.3176.1-25.536.3000112.2V300 F315 D316 F319P167-V300 HydrophobicContact CB-CB 4.18Å; P167-V300 HydrophobicContact CB-CG1 3.93Å; P167-V300 WeakPolarHBondContact CB-O 3.32Å; P167-F315 CarbonylContact O-C 3.56Å; P167-F315 WeakPolarHBondContact O-CA 3.39Å; P167-F315 WeakPolarHBondContact O-CB 3.35Å; P167-D316 PolarHBondContact O-N 3.28Å; P167-F319 HydrophobicContact CG-CD1 4.29Å; P167-F319 HydrophobicContact CG-CE1 4.29Å
168F98.3Very high95.4Very high33 Ų3343.3 Ų43.315%0.14523%0.227CC..EExtended strand (participates in β ladder)trans-120.4151.8179.2-66.6-79.7000112L298 V300 E303 Q305 L313 L314 F315F168-L298 HydrophobicContact CE1-CD2 4.08Å; F168-L298 HydrophobicContact CZ-CD2 4.43Å; F168-V300 HydrophobicContact CE1-CB 4.38Å; F168-V300 HydrophobicContact CE1-CG2 3.92Å; F168-V300 HydrophobicContact CE2-CB 3.82Å; F168-V300 HydrophobicContact CE2-CG2 4.18Å; F168-V300 HydrophobicContact CZ-CB 3.7Å; F168-V300 HydrophobicContact CZ-CG2 3.51Å; F168-E303 HydrophobicContact CD2-CB 4.09Å; F168-E303 HydrophobicContact CE2-CB 3.76Å; F168-E303 WeakPolarHBondContact CE2-O 3.48Å; F168-Q305 HydrophobicContact CD1-CG 3.85Å; F168-Q305 HydrophobicContact CD2-CG 3.89Å; F168-Q305 HydrophobicContact CE1-CB 3.77Å; F168-Q305 HydrophobicContact CE1-CG 3.45Å; F168-Q305 VanDerWaalsContact CE1-CG 3.45Å; F168-Q305 HydrophobicContact CE2-CB 4.34Å; F168-Q305 HydrophobicContact CE2-CG 3.49Å; F168-Q305 VanDerWaalsContact CE2-CG 3.49Å; F168-Q305 HydrophobicContact CG-CG 4.05Å; F168-Q305 HydrophobicContact CZ-CB 3.65Å; F168-Q305 HydrophobicContact CZ-CG 3.24Å; F168-L313 HydrophobicContact CD1-CD1 3.89Å; F168-L313 HydrophobicContact CD1-CG 4.47Å; F168-L313 HydrophobicContact CE1-CD1 4.01Å; F168-L313 HydrophobicContact CE1-CD2 4.3Å; F168-L313 HydrophobicContact CE1-CG 4.3Å; F168-L314 WeakPolarHBondContact CA-O 3.26Å; F168-F315 HydrophobicContact CD1-CB 3.7Å; F168-F315 HydrophobicContact CE1-CB 3.81Å; F168-F315 HydrophobicContact CE1-CG 4.5Å
169F97.9Very high95.7Very high35 Ų3546.7 Ų46.715%0.15424%0.243CC..EExtended strand (participates in β ladder)trans-124.2141.4179.4-75.7-98.7000111.1A166 V173 L284 L314 D316 H343A166-F169 HydrophobicContact CB-CE2 4.18Å; A166-F169 HydrophobicContact CB-CZ 4.2Å; A166-F169 WeakPolarHBondContact O-CE2 3.31Å; F169-V173 HydrophobicContact CB-CG2 4Å; F169-V173 HydrophobicContact CD1-CG2 4.08Å; F169-V173 HydrophobicContact CG-CG2 4.45Å; F169-L284 HydrophobicContact CB-CD1 4.1Å; F169-L284 HydrophobicContact CD1-CD1 4.06Å; F169-L284 HydrophobicContact CD2-CD1 3.97Å; F169-L284 HydrophobicContact CD2-CD2 3.5Å; F169-L284 VanDerWaalsContact CD2-CD2 3.5Å; F169-L284 HydrophobicContact CD2-CG 4.39Å; F169-L284 HydrophobicContact CE1-CD1 4.48Å; F169-L284 HydrophobicContact CE2-CD1 4.42Å; F169-L284 HydrophobicContact CE2-CD2 3.37Å; F169-L284 HydrophobicContact CG-CD1 3.77Å; F169-L284 HydrophobicContact CG-CD2 4.16Å; F169-L284 HydrophobicContact CZ-CD2 3.93Å; F169-L314 HydrophobicContact CB-CB 4.17Å; F169-L314 PolarHBondContact N-O 3.14Å; F169-D316 HydrophobicContact CE2-CB 4.03Å; F169-H343 AromaticContact CE1-NE2 3.76Å; F169-H343 AromaticContact CZ-NE2 3.39Å; F169-H343 WeakPolarHBondContact CZ-NE2 3.41Å
170S96.8Very high95.9Very high69 Ų6947.1 Ų47.148%0.48325%0.246SC..  trans-65143.8172.31740000110.9E172 V173S170-E172 PolarHBondContact O-N 2.79Å; S170-E172 PolarHBondContact OG-N 3.1Å; S170-V173 VanDerWaalsContact O-CG2 3.32Å; S170-V173 WeakPolarHBondContact O-CG2 3.38Å; S170-V173 PolarHBondContact O-N 2.82Å; S170-V173 VanDerWaalsContact O-N 3.13Å
171R95.7Very high96.1Very high86 Ų8647.1 Ų47.133%0.32525%0.246SC..G310 helixtrans-49.5-29.917364176.5-68.7139.44.5113.4V173 Q174 R175 V178 E182R171-V173 PolarHBondContact O-N 3.49Å; R171-Q174 CarbonylContact O-C 3.52Å; R171-Q174 PolarHBondContact O-N 2.86Å; R171-R175 WeakPolarHBondContact O-CA 3.29Å; R171-R175 PolarHBondContact O-N 2.83Å; R171-R175 VanDerWaalsContact O-N 3.11Å; R171-V178 HydrophobicContact CB-CG1 4.06Å; R171-E182 IonicContact CZ-OE1 3.53Å; R171-E182 IonicContact CZ-OE2 3.69Å; R171-E182 IonicContact NH1-OE1 2.88Å; R171-E182 PolarHBondContact NH1-OE1 3.48Å; R171-E182 IonicContact NH1-OE2 3.69Å; R171-E182 PolarHBondContact NH1-OE2 2.94Å; R171-E182 IonicContact NH2-OE2 3.27Å; R171-E182 PolarHBondContact NH2-OE2 2.93Å
172E96.1Very high96.4Very high87 Ų8748.9 Ų48.941%0.40725%0.254SS..G310 helixtrans-62.4-28.5-176.3-60.6-52.1136.300113.4S170 Q174 R175S170-E172 PolarHBondContact O-N 2.79Å; S170-E172 PolarHBondContact OG-N 3.1Å; E172-Q174 PolarHBondContact O-N 3.49Å; E172-R175 IonicContact OE2-CZ 3.38Å; E172-R175 IonicContact OE2-NE 3.1Å; E172-R175 PolarHBondContact OE2-NE 3.37Å; E172-R175 IonicContact OE2-NH2 2.76Å; E172-R175 PolarHBondContact OE2-NH2 3.32Å
173V95.3Very high96.7Very high59 Ų5951 Ų5136%0.35826%0.261SS..G310 helixtrans-72.7-17.5-178.4-47.30000112.9F169 S170 R171 L284 P344F169-V173 HydrophobicContact CB-CG2 4Å; F169-V173 HydrophobicContact CD1-CG2 4.08Å; F169-V173 HydrophobicContact CG-CG2 4.45Å; S170-V173 VanDerWaalsContact O-CG2 3.32Å; S170-V173 WeakPolarHBondContact O-CG2 3.38Å; S170-V173 PolarHBondContact O-N 2.82Å; S170-V173 VanDerWaalsContact O-N 3.13Å; R171-V173 PolarHBondContact O-N 3.49Å; V173-L284 HydrophobicContact CG2-CD1 4.31Å; V173-P344 HydrophobicContact CB-CG 4.2Å; V173-P344 HydrophobicContact CG2-CG 4.15Å
174Q96.7Very high97Very high14 Ų1451.1 Ų51.17%0.06526%0.263CS..G310 helixtrans-133.134.2177.2-68.5-66.30.500111.4R171 E172 H176 D177 V178 T252 L314 L341 W342R171-Q174 CarbonylContact O-C 3.52Å; R171-Q174 PolarHBondContact O-N 2.86Å; E172-Q174 PolarHBondContact O-N 3.49Å; Q174-H176 VanDerWaalsContact C-N 3.31Å; Q174-H176 PolarHBondContact O-N 3.41Å; Q174-H176 VanDerWaalsContact O-N 3.08Å; Q174-D177 PolarHBondContact O-N 2.83Å; Q174-V178 HydrophobicContact CB-CG2 4.11Å; Q174-V178 WeakPolarHBondContact O-CG2 3.5Å; Q174-V178 PolarHBondContact O-N 2.88Å; Q174-T252 PolarHBondContact OE1-OG1 3.28Å; Q174-L314 HydrophobicContact CB-CD2 3.83Å; Q174-L314 HydrophobicContact CG-CD2 3.87Å; Q174-L341 HydrophobicContact CG-CD1 4.36Å; Q174-W342 PolarHBondContact NE2-O 3.24Å
175R97.9Very high97.3Very high136 Ų13649.4 Ų49.451%0.51325%0.248SC..Hα-helixtrans-44.8-50.6-167.6-174.1-174.1-64.8155.5-3.7114R171 E172 V178 E179R171-R175 WeakPolarHBondContact O-CA 3.29Å; R171-R175 PolarHBondContact O-N 2.83Å; R171-R175 VanDerWaalsContact O-N 3.11Å; E172-R175 IonicContact OE2-CZ 3.38Å; E172-R175 IonicContact OE2-NE 3.1Å; E172-R175 PolarHBondContact OE2-NE 3.37Å; E172-R175 IonicContact OE2-NH2 2.76Å; E172-R175 PolarHBondContact OE2-NH2 3.32Å; R175-V178 PolarHBondContact O-N 3.25Å; R175-E179 WeakPolarHBondContact CD-OE1 3.47Å; R175-E179 HydrophobicContact CG-CG 4.25Å; R175-E179 WeakPolarHBondContact CG-OE1 3.43Å; R175-E179 WeakPolarHBondContact O-CB 3.48Å; R175-E179 VanDerWaalsContact O-CG 3.26Å; R175-E179 WeakPolarHBondContact O-CG 3.32Å; R175-E179 PolarHBondContact O-N 2.9Å
176H98.3Very high97.8Very high70 Ų7050.6 Ų50.632%0.32425%0.254SS..Hα-helixtrans-61-48.6-177.4178.373.2000113.2Q174 V178 L180 R251Q174-H176 VanDerWaalsContact C-N 3.31Å; Q174-H176 PolarHBondContact O-N 3.41Å; Q174-H176 VanDerWaalsContact O-N 3.08Å; H176-V178 VanDerWaalsContact C-N 3.34Å; H176-L180 WeakPolarHBondContact O-CB 3.37Å; H176-L180 PolarHBondContact O-N 3.38Å; H176-R251 WeakPolarHBondContact CD2-CD 3.32Å; H176-R251 VanDerWaalsContact CD2-CG 3.47Å; H176-R251 WeakPolarHBondContact CD2-CG 3.31Å; H176-R251 PolarHBondContact CD2-NE 2.93Å; H176-R251 PolarHBondContact NE2-NE 3.43Å; H176-R251 VanDerWaalsContact NE2-NE 3.14Å
177D98.6Very high97.9Very high1 Ų150.5 Ų50.51%0.00525%0.253CS..Hα-helixtrans-69.4-37.2-177-72.8-0.7000110.5Q174 L181 L250 R251 T252 L341Q174-D177 PolarHBondContact O-N 2.83Å; D177-L181 WeakPolarHBondContact O-CB 3.24Å; D177-L181 VanDerWaalsContact O-CG 3.27Å; D177-L181 WeakPolarHBondContact O-CG 3.28Å; D177-L181 PolarHBondContact O-N 3.46Å; D177-L181 VanDerWaalsContact O-N 3.08Å; D177-L250 HydrophobicContact CB-CD2 3.75Å; D177-R251 PolarHBondContact OD1-N 2.86Å; D177-R251 PolarHBondContact OD2-N 3.29Å; D177-T252 WeakPolarHBondContact OD2-CB 3.4Å; D177-T252 PolarHBondContact OD2-N 2.66Å; D177-T252 PolarHBondContact OD2-OG1 3.26Å; D177-L341 HydrophobicContact CB-CD1 4.18Å
178V98.8Very high98Very high0 Ų049.8 Ų49.80%025%0.249CC..Hα-helixtrans-64.2-52.9174.8171.20000111.4R171 Q174 R175 H176 L180 L181 E182 C312 L314R171-V178 HydrophobicContact CB-CG1 4.06Å; Q174-V178 HydrophobicContact CB-CG2 4.11Å; Q174-V178 WeakPolarHBondContact O-CG2 3.5Å; Q174-V178 PolarHBondContact O-N 2.88Å; R175-V178 PolarHBondContact O-N 3.25Å; H176-V178 VanDerWaalsContact C-N 3.34Å; V178-L180 VanDerWaalsContact C-N 3.26Å; V178-L180 PolarHBondContact O-N 3.34Å; V178-L181 PolarHBondContact O-N 2.92Å; V178-L181 VanDerWaalsContact O-N 3.12Å; V178-E182 HydrophobicContact CG1-CG 4.15Å; V178-E182 WeakPolarHBondContact O-CG 3.48Å; V178-E182 PolarHBondContact O-N 3.17Å; V178-C312 HydrophobicContact CG1-CB 3.79Å; V178-C312 HydrophobicContact CG2-CB 4.28Å; V178-L314 HydrophobicContact CG2-CD1 3.71Å; V178-L314 HydrophobicContact CG2-CD2 4.11Å; V178-L314 HydrophobicContact CG2-CG 4.46Å
179E98.8Very high98Very high72 Ų7250.1 Ų50.134%0.33625%0.252SS..Hα-helixtrans-57.9-40.8179.5-75.8170.9176.900111.8R175 Q183R175-E179 WeakPolarHBondContact CD-OE1 3.47Å; R175-E179 HydrophobicContact CG-CG 4.25Å; R175-E179 WeakPolarHBondContact CG-OE1 3.43Å; R175-E179 WeakPolarHBondContact O-CB 3.48Å; R175-E179 VanDerWaalsContact O-CG 3.26Å; R175-E179 WeakPolarHBondContact O-CG 3.32Å; R175-E179 PolarHBondContact O-N 2.9Å; E179-Q183 VanDerWaalsContact O-CB 3.29Å; E179-Q183 WeakPolarHBondContact O-CB 3.36Å; E179-Q183 WeakPolarHBondContact O-CG 3.3Å; E179-Q183 PolarHBondContact O-N 3.2Å
180L98.8Very high98Very high25 Ų2550.7 Ų50.713%0.13126%0.263CS..Hα-helixtrans-64-43177.2-179.464.3000112.2H176 V178 S184 V246 Q249 L250H176-L180 WeakPolarHBondContact O-CB 3.37Å; H176-L180 PolarHBondContact O-N 3.38Å; V178-L180 VanDerWaalsContact C-N 3.26Å; V178-L180 PolarHBondContact O-N 3.34Å; L180-S184 VanDerWaalsContact O-CB 3.25Å; L180-S184 WeakPolarHBondContact O-CB 3.42Å; L180-S184 PolarHBondContact O-N 2.79Å; L180-S184 PolarHBondContact O-OG 3.4Å; L180-V246 HydrophobicContact CG-CG1 4.38Å; L180-Q249 HydrophobicContact CD2-CB 3.46Å; L180-Q249 VanDerWaalsContact CD2-CB 3.46Å; L180-L250 HydrophobicContact CB-CD2 4.5Å; L180-L250 HydrophobicContact CD2-CD2 3.91Å; L180-L250 HydrophobicContact CD2-CG 4.46Å
181L98.8Very high98.1Very high1 Ų147.7 Ų47.71%0.00524%0.241CC..Hα-helixtrans-64.3-47.9177.4-75.6169000111.4D177 V178 S184 F185 V246 L250 L288 F337 V339D177-L181 WeakPolarHBondContact O-CB 3.24Å; D177-L181 VanDerWaalsContact O-CG 3.27Å; D177-L181 WeakPolarHBondContact O-CG 3.28Å; D177-L181 PolarHBondContact O-N 3.46Å; D177-L181 VanDerWaalsContact O-N 3.08Å; V178-L181 PolarHBondContact O-N 2.92Å; V178-L181 VanDerWaalsContact O-N 3.12Å; L181-S184 CarbonylContact O-C 3.58Å; L181-S184 PolarHBondContact O-N 3.07Å; L181-S184 VanDerWaalsContact O-N 3.11Å; L181-F185 PolarHBondContact O-N 3.37Å; L181-V246 HydrophobicContact CD2-CG1 4.02Å; L181-L250 HydrophobicContact CD1-CD2 4.38Å; L181-L250 HydrophobicContact CD2-CD1 4.39Å; L181-L250 HydrophobicContact CD2-CD2 4.41Å; L181-L250 HydrophobicContact CG-CD2 3.99Å; L181-L288 HydrophobicContact CB-CD2 4.45Å; L181-L288 WeakPolarHBondContact O-CD2 3.47Å; L181-F337 HydrophobicContact CD2-CD1 4.07Å; L181-F337 HydrophobicContact CD2-CE1 4.11Å; L181-V339 HydrophobicContact CD2-CG2 4.33Å
182E98.8Very high98.2Very high37 Ų3743.6 Ų43.617%0.17323%0.226CC..Hα-helixtrans-62.1-44.2179.1-65.5-178.7161.700111.2R171 V178 S184 F185 L288 G310 C312R171-E182 IonicContact CZ-OE1 3.53Å; R171-E182 IonicContact CZ-OE2 3.69Å; R171-E182 IonicContact NH1-OE1 2.88Å; R171-E182 PolarHBondContact NH1-OE1 3.48Å; R171-E182 IonicContact NH1-OE2 3.69Å; R171-E182 PolarHBondContact NH1-OE2 2.94Å; R171-E182 IonicContact NH2-OE2 3.27Å; R171-E182 PolarHBondContact NH2-OE2 2.93Å; V178-E182 HydrophobicContact CG1-CG 4.15Å; V178-E182 WeakPolarHBondContact O-CG 3.48Å; V178-E182 PolarHBondContact O-N 3.17Å; E182-S184 PolarHBondContact O-N 2.83Å; E182-F185 WeakPolarHBondContact O-CB 3.47Å; E182-F185 PolarHBondContact O-N 3.35Å; E182-F185 VanDerWaalsContact O-N 3.16Å; E182-L288 HydrophobicContact CG-CD1 4.21Å; E182-G310 WeakPolarHBondContact CB-O 3.38Å; E182-G310 VanDerWaalsContact CG-O 3.29Å; E182-G310 WeakPolarHBondContact CG-O 3.45Å; E182-C312 HydrophobicContact CG-CB 4.48Å; E182-C312 PolarHBondContact OE1-N 3.39Å
183Q98.8Very high98.2Very high145 Ų14541.7 Ų41.768%0.67822%0.217SC*.Hα-helixtrans-63.1-30174.3-72.516924.400112.9E179 F185E179-Q183 VanDerWaalsContact O-CB 3.29Å; E179-Q183 WeakPolarHBondContact O-CB 3.36Å; E179-Q183 WeakPolarHBondContact O-CG 3.3Å; E179-Q183 PolarHBondContact O-N 3.2Å; Q183-F185 VanDerWaalsContact C-N 3.3Å
184S98.8Very high98.2Very high20 Ų2042.5 Ų42.514%0.1423%0.225CC..THydrogen-bonded Turntrans-84.1-3.1179.5-59.50000113.6L180 L181 E182 A187 L188 V246L180-S184 VanDerWaalsContact O-CB 3.25Å; L180-S184 WeakPolarHBondContact O-CB 3.42Å; L180-S184 PolarHBondContact O-N 2.79Å; L180-S184 PolarHBondContact O-OG 3.4Å; L181-S184 CarbonylContact O-C 3.58Å; L181-S184 PolarHBondContact O-N 3.07Å; L181-S184 VanDerWaalsContact O-N 3.11Å; E182-S184 PolarHBondContact O-N 2.83Å; S184-A187 WeakPolarHBondContact O-CB 3.02Å; S184-A187 PolarHBondContact O-N 2.83Å; S184-L188 WeakPolarHBondContact O-CG 3.49Å; S184-L188 PolarHBondContact O-N 3.14Å; S184-V246 VanDerWaalsContact OG-CG2 3.3Å; S184-V246 WeakPolarHBondContact OG-CG2 3.45Å
185F98.8Very high98.1Very high39 Ų3941.9 Ų41.917%0.17122%0.222CC..Hα-helixtrans-46.6-50.2-177.2164.5-94.3000114L181 E182 Q183 A187 L188 L189 L288 G289 L290 E309 G310L181-F185 PolarHBondContact O-N 3.37Å; E182-F185 WeakPolarHBondContact O-CB 3.47Å; E182-F185 PolarHBondContact O-N 3.35Å; E182-F185 VanDerWaalsContact O-N 3.16Å; Q183-F185 VanDerWaalsContact C-N 3.3Å; F185-A187 VanDerWaalsContact C-N 3.3Å; F185-A187 PolarHBondContact O-N 3.09Å; F185-L188 PolarHBondContact O-N 3.16Å; F185-L189 HydrophobicContact CE1-CD2 4.23Å; F185-L189 HydrophobicContact CZ-CD2 3.89Å; F185-L189 WeakPolarHBondContact O-CB 3.49Å; F185-L189 PolarHBondContact O-N 2.94Å; F185-L288 HydrophobicContact CB-CD2 4.36Å; F185-G289 WeakPolarHBondContact CD2-O 3.32Å; F185-G289 VanDerWaalsContact CE2-O 3.26Å; F185-G289 WeakPolarHBondContact CE2-O 3.44Å; F185-L290 HydrophobicContact CD2-CD2 3.85Å; F185-L290 HydrophobicContact CE2-CD2 4.21Å; F185-E309 HydrophobicContact CE2-CB 4.33Å; F185-E309 HydrophobicContact CZ-CB 4.37Å; F185-G310 VanDerWaalsContact CD2-CA 3.48Å
186P98.8Very high97.8Very high85 Ų8538.2 Ų38.255%0.55221%0.209SC*.Hα-helixtrans-62.7-38.1-177.8-22.534.2000112.7A190P186-A190 WeakPolarHBondContact O-CB 3.45Å; P186-A190 PolarHBondContact O-N 3.01Å
187A98.6Very high97.3Very high31 Ų3141.1 Ų41.126%0.25622%0.222SC..Hα-helixtrans-69.3-40.7179.500000112S184 F185 E191 R242S184-A187 WeakPolarHBondContact O-CB 3.02Å; S184-A187 PolarHBondContact O-N 2.83Å; F185-A187 VanDerWaalsContact C-N 3.3Å; F185-A187 PolarHBondContact O-N 3.09Å; A187-E191 WeakPolarHBondContact O-CG 3.25Å; A187-E191 PolarHBondContact O-N 3.15Å; A187-E191 VanDerWaalsContact O-N 3.15Å; A187-R242 HydrophobicContact CB-CB 4.32Å
188L98.8Very high96.6Very high0 Ų043.8 Ų43.80%024%0.235CC..Hα-helixtrans-68.7-43.6178.1-67.3173.5000111.4S184 F185 E191 F192 A243 L288 L290 F337S184-L188 WeakPolarHBondContact O-CG 3.49Å; S184-L188 PolarHBondContact O-N 3.14Å; F185-L188 PolarHBondContact O-N 3.16Å; L188-E191 PolarHBondContact O-N 3.33Å; L188-F192 WeakPolarHBondContact O-CB 3.36Å; L188-F192 PolarHBondContact O-N 2.89Å; L188-A243 HydrophobicContact CD2-CB 3.46Å; L188-A243 VanDerWaalsContact CD2-CB 3.46Å; L188-L288 HydrophobicContact CD1-CD2 3.54Å; L188-L290 HydrophobicContact CB-CD2 4.1Å; L188-F337 HydrophobicContact CD1-CD1 3.84Å; L188-F337 HydrophobicContact CD1-CE1 4.27Å; L188-F337 HydrophobicContact CD1-CG 4.33Å; L188-F337 HydrophobicContact CD2-CD1 4.34Å; L188-F337 HydrophobicContact CD2-CE1 4.18Å; L188-F337 HydrophobicContact CD2-CZ 4.3Å
189L98.7Very high95.6Very high40 Ų4048.7 Ų48.721%0.20927%0.267CS..Hα-helixtrans-60.5-46.1175.1-18061.4000111.1F185 E191 F192 E193 L290 R291F185-L189 HydrophobicContact CE1-CD2 4.23Å; F185-L189 HydrophobicContact CZ-CD2 3.89Å; F185-L189 WeakPolarHBondContact O-CB 3.49Å; F185-L189 PolarHBondContact O-N 2.94Å; L189-E191 VanDerWaalsContact C-N 3.33Å; L189-E191 PolarHBondContact O-N 2.94Å; L189-F192 HydrophobicContact CD1-CD1 4.29Å; L189-F192 WeakPolarHBondContact O-CB 3.22Å; L189-F192 PolarHBondContact O-N 2.83Å; L189-E193 HydrophobicContact CD1-CG 4.32Å; L189-E193 WeakPolarHBondContact O-CB 3.48Å; L189-E193 VanDerWaalsContact O-CG 3.24Å; L189-E193 WeakPolarHBondContact O-CG 3.33Å; L189-E193 PolarHBondContact O-N 2.77Å; L189-L290 HydrophobicContact CB-CD2 4.49Å; L189-L290 HydrophobicContact CD1-CB 4.21Å; L189-R291 HydrophobicContact CD1-CG 4.17Å
190A98.4Very high94.4Very high47 Ų4748.5 Ų48.539%0.38827%0.271SS..Hα-helixtrans-62.8-36.3178.500000113.3P186 S194P186-A190 WeakPolarHBondContact O-CB 3.45Å; P186-A190 PolarHBondContact O-N 3.01Å; A190-S194 PolarHBondContact O-N 2.86Å
191E98.1Very high92.8Very high7 Ų750.2 Ų50.23%0.03329%0.29CS..Hα-helixtrans-71.4-43.1174.9-72.3-169156.700112.2A187 L188 L189 E193 S194 I195 C240 P241 R242 A243A187-E191 WeakPolarHBondContact O-CG 3.25Å; A187-E191 PolarHBondContact O-N 3.15Å; A187-E191 VanDerWaalsContact O-N 3.15Å; L188-E191 PolarHBondContact O-N 3.33Å; L189-E191 VanDerWaalsContact C-N 3.33Å; L189-E191 PolarHBondContact O-N 2.94Å; E191-E193 VanDerWaalsContact C-N 3.28Å; E191-E193 PolarHBondContact O-N 3.02Å; E191-S194 WeakPolarHBondContact O-CB 3.16Å; E191-S194 PolarHBondContact O-N 2.85Å; E191-I195 WeakPolarHBondContact O-CG1 3.49Å; E191-I195 PolarHBondContact O-N 2.78Å; E191-I195 VanDerWaalsContact O-N 3.09Å; E191-C240 VanDerWaalsContact CD-CA 3.46Å; E191-C240 VanDerWaalsContact OE2-C 3.24Å; E191-C240 VanDerWaalsContact OE2-CA 3.23Å; E191-C240 WeakPolarHBondContact OE2-CA 3.12Å; E191-C240 WeakPolarHBondContact OE2-CB 3.2Å; E191-P241 WeakPolarHBondContact OE1-CD 3.21Å; E191-P241 VanDerWaalsContact OE1-N 3.16Å; E191-R242 HydrophobicContact CG-CB 4.48Å; E191-R242 VanDerWaalsContact CG-NH2 3.32Å; E191-R242 WeakPolarHBondContact OE1-CA 3.32Å; E191-R242 WeakPolarHBondContact OE1-CB 3.43Å; E191-R242 WeakPolarHBondContact OE1-CG 3.18Å; E191-R242 PolarHBondContact OE1-N 3.39Å; E191-R242 IonicContact OE1-NE 3.6Å; E191-R242 PolarHBondContact OE2-N 2.86Å; E191-A243 VanDerWaalsContact OE2-CB 3.27Å; E191-A243 WeakPolarHBondContact OE2-CB 2.97Å; E191-A243 PolarHBondContact OE2-N 2.82Å
192F97.8Very high91.1Very high0 Ų056.2 Ų56.20%031%0.312CS..Hα-helixtrans-53-49172.3164.3-102.1000111.1L188 L189 S194 I195 Y196 W211 F264 V266 L290 V335L188-F192 WeakPolarHBondContact O-CB 3.36Å; L188-F192 PolarHBondContact O-N 2.89Å; L189-F192 HydrophobicContact CD1-CD1 4.29Å; L189-F192 WeakPolarHBondContact O-CB 3.22Å; L189-F192 PolarHBondContact O-N 2.83Å; F192-S194 VanDerWaalsContact C-N 3.28Å; F192-S194 PolarHBondContact O-N 2.87Å; F192-I195 WeakPolarHBondContact O-CG1 3.21Å; F192-I195 PolarHBondContact O-N 2.9Å; F192-I195 VanDerWaalsContact O-N 3.16Å; F192-Y196 HydrophobicContact CE1-CG 4.3Å; F192-Y196 AromaticContact CE2-CD2 3.8Å; F192-Y196 HydrophobicContact CE2-CD2 3.8Å; F192-Y196 AromaticContact CE2-CG 3.89Å; F192-Y196 HydrophobicContact CE2-CG 3.89Å; F192-Y196 HydrophobicContact CZ-CD1 4Å; F192-Y196 AromaticContact CZ-CD2 3.76Å; F192-Y196 HydrophobicContact CZ-CD2 3.76Å; F192-Y196 HydrophobicContact CZ-CE2 4.37Å; F192-Y196 AromaticContact CZ-CG 3.55Å; F192-Y196 HydrophobicContact CZ-CG 3.55Å; F192-Y196 WeakPolarHBondContact O-CB 3.36Å; F192-Y196 PolarHBondContact O-N 2.84Å; F192-W211 HydrophobicContact CD2-CH2 4.06Å; F192-W211 HydrophobicContact CD2-CZ2 4.33Å; F192-W211 AromaticContact CE2-CH2 3.71Å; F192-W211 HydrophobicContact CE2-CH2 3.71Å; F192-W211 HydrophobicContact CE2-CZ2 4.07Å; F192-F264 HydrophobicContact CB-CD1 3.78Å; F192-F264 HydrophobicContact CB-CE1 3.71Å; F192-F264 HydrophobicContact CB-CG 4.43Å; F192-F264 HydrophobicContact CB-CZ 4.31Å; F192-F264 HydrophobicContact CD2-CB 4.2Å; F192-F264 HydrophobicContact CD2-CD1 4.15Å; F192-F264 HydrophobicContact CD2-CG 4.25Å; F192-F264 HydrophobicContact CG-CD1 4.32Å; F192-V266 HydrophobicContact CE2-CG2 3.7Å; F192-V266 HydrophobicContact CZ-CG2 4.21Å; F192-L290 HydrophobicContact CB-CD1 4.17Å; F192-L290 HydrophobicContact CG-CD1 4.49Å; F192-V335 HydrophobicContact CD1-CG1 4.06Å; F192-V335 HydrophobicContact CD2-CG1 3.73Å; F192-V335 HydrophobicContact CE1-CB 4.33Å; F192-V335 HydrophobicContact CE1-CG1 3.9Å; F192-V335 HydrophobicContact CE1-CG2 3.84Å; F192-V335 HydrophobicContact CE2-CB 4.5Å; F192-V335 HydrophobicContact CE2-CG1 3.53Å; F192-V335 HydrophobicContact CE2-CG2 4.14Å; F192-V335 HydrophobicContact CG-CG1 4Å; F192-V335 HydrophobicContact CZ-CB 4.17Å; F192-V335 HydrophobicContact CZ-CG1 3.63Å; F192-V335 HydrophobicContact CZ-CG2 3.49Å; F192-V335 VanDerWaalsContact CZ-CG2 3.49Å
193E96.1Very high88.9Confident46 Ų4661 Ų6122%0.21535%0.35CS..Hα-helixtrans-61.4-38.5-179.2-74.7-76-103.300112.7L189 E191 H197 R291L189-E193 HydrophobicContact CD1-CG 4.32Å; L189-E193 WeakPolarHBondContact O-CB 3.48Å; L189-E193 VanDerWaalsContact O-CG 3.24Å; L189-E193 WeakPolarHBondContact O-CG 3.33Å; L189-E193 PolarHBondContact O-N 2.77Å; E191-E193 VanDerWaalsContact C-N 3.28Å; E191-E193 PolarHBondContact O-N 3.02Å; E193-H197 PolarHBondContact O-N 3.39Å; E193-H197 PolarHBondContact O-ND1 3.02Å; E193-H197 IonicContact OE1-CE1 2.82Å; E193-H197 IonicContact OE2-CE1 3.22Å; E193-H197 PolarHBondContact OE2-CE1 2.9Å; E193-H197 IonicContact OE2-ND1 2.79Å; E193-R291 VanDerWaalsContact CD-CZ 3.41Å; E193-R291 VanDerWaalsContact CD-NH1 3.27Å; E193-R291 IonicContact OE1-CZ 3.26Å; E193-R291 VanDerWaalsContact OE1-CZ 3.26Å; E193-R291 IonicContact OE1-NH1 3.88Å; E193-R291 PolarHBondContact OE1-NH1 2.79Å; E193-R291 IonicContact OE1-NH2 2.56Å; E193-R291 PolarHBondContact OE1-NH2 3.15Å; E193-R291 IonicContact OE2-CZ 3.31Å; E193-R291 VanDerWaalsContact OE2-CZ 3.31Å; E193-R291 IonicContact OE2-NH1 2.64Å; E193-R291 PolarHBondContact OE2-NH1 3.44Å; E193-R291 IonicContact OE2-NH2 3.44Å; E193-R291 PolarHBondContact OE2-NH2 3.38Å
194S94.9Very high86.9Confident76 Ų7658.2 Ų58.253%0.53136%0.36SS..Hα-helixtrans-66.2-36.1177.1-177.40000112.8A190 E191 F192 Q198A190-S194 PolarHBondContact O-N 2.86Å; E191-S194 WeakPolarHBondContact O-CB 3.16Å; E191-S194 PolarHBondContact O-N 2.85Å; F192-S194 VanDerWaalsContact C-N 3.28Å; F192-S194 PolarHBondContact O-N 2.87Å; S194-Q198 VanDerWaalsContact O-CG 3.26Å; S194-Q198 WeakPolarHBondContact O-CG 3.13Å; S194-Q198 PolarHBondContact O-NE2 3.23Å
195I94.5Very high85.3Confident1 Ų159.9 Ų59.91%0.00537%0.371CS..Hα-helixtrans-87.3-23.6179.564.3170.5000113.4E191 F192 W211 Y224 R239 F264E191-I195 WeakPolarHBondContact O-CG1 3.49Å; E191-I195 PolarHBondContact O-N 2.78Å; E191-I195 VanDerWaalsContact O-N 3.09Å; F192-I195 WeakPolarHBondContact O-CG1 3.21Å; F192-I195 PolarHBondContact O-N 2.9Å; F192-I195 VanDerWaalsContact O-N 3.16Å; I195-W211 HydrophobicContact CD1-CZ2 3.97Å; I195-W211 HydrophobicContact CG1-CZ2 4.06Å; I195-W211 PolarHBondContact O-NE1 3.48Å; I195-Y224 HydrophobicContact CD1-CD1 3.49Å; I195-Y224 VanDerWaalsContact CD1-CD1 3.49Å; I195-Y224 HydrophobicContact CD1-CD2 3.92Å; I195-Y224 HydrophobicContact CD1-CE1 3.7Å; I195-Y224 HydrophobicContact CD1-CE2 4.14Å; I195-Y224 HydrophobicContact CD1-CG 3.59Å; I195-R239 HydrophobicContact CG2-CB 4.12Å; I195-F264 HydrophobicContact CD1-CD2 3.75Å; I195-F264 HydrophobicContact CD1-CE2 4.04Å; I195-F264 HydrophobicContact CD1-CG 4.49Å
196Y91.9Very high83.8Confident59 Ų5962.9 Ų62.923%0.23140%0.397CS..Hα-helixtrans-79.3-37.6-177.3-171.8-108.6000112.2F192 Q198 W211 W222 V266F192-Y196 HydrophobicContact CE1-CG 4.3Å; F192-Y196 AromaticContact CE2-CD2 3.8Å; F192-Y196 HydrophobicContact CE2-CD2 3.8Å; F192-Y196 AromaticContact CE2-CG 3.89Å; F192-Y196 HydrophobicContact CE2-CG 3.89Å; F192-Y196 HydrophobicContact CZ-CD1 4Å; F192-Y196 AromaticContact CZ-CD2 3.76Å; F192-Y196 HydrophobicContact CZ-CD2 3.76Å; F192-Y196 HydrophobicContact CZ-CE2 4.37Å; F192-Y196 AromaticContact CZ-CG 3.55Å; F192-Y196 HydrophobicContact CZ-CG 3.55Å; F192-Y196 WeakPolarHBondContact O-CB 3.36Å; F192-Y196 PolarHBondContact O-N 2.84Å; Y196-Q198 VanDerWaalsContact C-N 3.25Å; Y196-Q198 PolarHBondContact O-N 3.1Å; Y196-W211 HydrophobicContact CD2-CH2 4.21Å; Y196-W211 AromaticContact CD2-CZ2 3.85Å; Y196-W211 HydrophobicContact CD2-CZ2 3.85Å; Y196-W222 HydrophobicContact CE2-CE3 4.3Å; Y196-W222 HydrophobicContact CE2-CZ3 4.15Å; Y196-V266 HydrophobicContact CE2-CG1 4.18Å; Y196-V266 HydrophobicContact CE2-CG2 4.35Å
197H88Confident82.7Confident132 Ų13259.5 Ų59.561%0.61137%0.374SS*.SBendtrans-81.64.9179-66.5102.5000114.7E193E193-H197 PolarHBondContact O-N 3.39Å; E193-H197 PolarHBondContact O-ND1 3.02Å; E193-H197 IonicContact OE1-CE1 2.82Å; E193-H197 IonicContact OE2-CE1 3.22Å; E193-H197 PolarHBondContact OE2-CE1 2.9Å; E193-H197 IonicContact OE2-ND1 2.79Å
198Q84.1Confident81.8Confident57 Ų5758.8 Ų58.827%0.26637%0.367SS..SBendtrans-70.5143.6178-66.3-176.44.500110.7S194 Y196 P208S194-Q198 VanDerWaalsContact O-CG 3.26Å; S194-Q198 WeakPolarHBondContact O-CG 3.13Å; S194-Q198 PolarHBondContact O-NE2 3.23Å; Y196-Q198 VanDerWaalsContact C-N 3.25Å; Y196-Q198 PolarHBondContact O-N 3.1Å; Q198-P208 HydrophobicContact CB-CB 4.03Å; Q198-P208 WeakPolarHBondContact O-CB 3.29Å; Q198-P208 VanDerWaalsContact O-CG 3.29Å; Q198-P208 WeakPolarHBondContact O-CG 3.37Å
199P76.4Confident81Confident103 Ų10360.7 Ų60.767%0.66938%0.38SS*.PPolyproline II helixtrans-64.5154.1174.627.7-34.1000110.8
200P73.6Confident80.5Confident67 Ų6759.8 Ų59.844%0.43538%0.38SS..PPolyproline II helixtrans-54.8148173.3-23.632.7000112.3R202 S205P200-R202 PolarHBondContact O-N 3.44Å; P200-S205 WeakPolarHBondContact CB-O 3.37Å
201A66Low80.1Confident62 Ų6257.8 Ų57.851%0.51236%0.362SS..SBendtrans-63.5-27.4-173.300000113.9P209A201-P209 HydrophobicContact CB-CB 4.07Å; A201-P209 HydrophobicContact CB-CG 3.73Å
202R62.8Low79.7Confident127 Ų12759.6 Ų59.648%0.47937%0.37SS..SBendtrans-151150.7-175.4-56.4-178.995.8146.93.5110.1E89 P200 G204 S205E89-R202 IonicContact OE1-NH1 3.64Å; P200-R202 PolarHBondContact O-N 3.44Å; R202-G204 PolarHBondContact O-N 2.9Å; R202-G204 VanDerWaalsContact O-N 3.09Å; R202-S205 PolarHBondContact O-N 2.86Å
203S53.1Low79.3Confident137 Ų13762.1 Ų62.196%0.95839%0.391SS*.THydrogen-bonded Turntrans-56.6115.6166.3-69.40000109.7
204G57.5Low79Confident87 Ų8761.1 Ų61.190%0.89739%0.387SS*.THydrogen-bonded Turntrans105.9-10.9-177.300000115.4R202R202-G204 PolarHBondContact O-N 2.9Å; R202-G204 VanDerWaalsContact O-N 3.09Å
205S63.8Low78.8Confident54 Ų5463.4 Ų63.438%0.37840%0.403SS..  trans-85.7134.9166.7-173.20000109.7P200 R202 L207P200-S205 WeakPolarHBondContact CB-O 3.37Å; R202-S205 PolarHBondContact O-N 2.86Å; S205-L207 VanDerWaalsContact C-N 3.34Å; S205-L207 PolarHBondContact OG-N 2.83Å; S205-L207 PolarHBondContact OG-O 3.04Å
206S68.9Low78.7Confident103 Ų10364.8 Ų64.872%0.7241%0.412SS*.SBendtrans-83.2-10.9175.454.60000113.4
207L74.1Confident78.8Confident13 Ų1366 Ų667%0.06843%0.427CS..SBendtrans-121.6145-170.8-69.4178.7000113.4S205 W211 A213 W222S205-L207 VanDerWaalsContact C-N 3.34Å; S205-L207 PolarHBondContact OG-N 2.83Å; S205-L207 PolarHBondContact OG-O 3.04Å; L207-W211 HydrophobicContact CB-CB 4.18Å; L207-W211 HydrophobicContact CD1-CB 4.23Å; L207-A213 HydrophobicContact CD1-CB 3.92Å; L207-W222 HydrophobicContact CD1-CG 4.39Å; L207-W222 HydrophobicContact CD2-CD2 3.49Å; L207-W222 VanDerWaalsContact CD2-CD2 3.49Å; L207-W222 HydrophobicContact CD2-CE3 3.82Å; L207-W222 HydrophobicContact CD2-CG 3.89Å; L207-W222 HydrophobicContact CD2-CH2 4.2Å; L207-W222 HydrophobicContact CD2-CZ2 3.9Å; L207-W222 HydrophobicContact CD2-CZ3 4.16Å
208P79.7Confident79.1Confident16 Ų1666.8 Ų66.810%0.10443%0.425CS..  trans-63.6156.6169.3-11.925.2000111.3Q198 G210 W211Q198-P208 HydrophobicContact CB-CB 4.03Å; Q198-P208 WeakPolarHBondContact O-CB 3.29Å; Q198-P208 VanDerWaalsContact O-CG 3.29Å; Q198-P208 WeakPolarHBondContact O-CG 3.37Å; P208-G210 PolarHBondContact O-N 3.19Å; P208-W211 PolarHBondContact O-N 3.05Å
209P83.6Confident79.5Confident41 Ų4165.5 Ų65.527%0.26643%0.427SS..THydrogen-bonded Turntrans-61.6133.4-177.1-2.67.3000112.3A201 R239A201-P209 HydrophobicContact CB-CB 4.07Å; A201-P209 HydrophobicContact CB-CG 3.73Å; P209-R239 PolarHBondContact O-NH1 3.24Å
210G87.2Confident80.4Confident21 Ų2165 Ų6522%0.21642%0.416CS..THydrogen-bonded Turntrans96.3-10.6176.300000115P208 Y224 N236P208-G210 PolarHBondContact O-N 3.19Å; G210-Y224 VanDerWaalsContact C-CD2 3.4Å; G210-Y224 WeakPolarHBondContact O-CD2 3.45Å; G210-N236 WeakPolarHBondContact CA-OD1 3.18Å; G210-N236 PolarHBondContact O-ND2 3.21Å; G210-N236 VanDerWaalsContact O-ND2 3.14Å
211W90.5Very high81.4Confident4 Ų464.1 Ų64.12%0.01540%0.403CS..EExtended strand (participates in β ladder)trans-79.3142.9170-7292.4000110.9F94 F192 I195 Y196 L207 P208 W222 T223 Y224 F264 V266F94-W211 WeakPolarHBondContact CD1-O 3.26Å; F94-W211 WeakPolarHBondContact CE1-O 3.29Å; F192-W211 HydrophobicContact CD2-CH2 4.06Å; F192-W211 HydrophobicContact CD2-CZ2 4.33Å; F192-W211 AromaticContact CE2-CH2 3.71Å; F192-W211 HydrophobicContact CE2-CH2 3.71Å; F192-W211 HydrophobicContact CE2-CZ2 4.07Å; I195-W211 HydrophobicContact CD1-CZ2 3.97Å; I195-W211 HydrophobicContact CG1-CZ2 4.06Å; I195-W211 PolarHBondContact O-NE1 3.48Å; Y196-W211 HydrophobicContact CD2-CH2 4.21Å; Y196-W211 AromaticContact CD2-CZ2 3.85Å; Y196-W211 HydrophobicContact CD2-CZ2 3.85Å; L207-W211 HydrophobicContact CB-CB 4.18Å; L207-W211 HydrophobicContact CD1-CB 4.23Å; P208-W211 PolarHBondContact O-N 3.05Å; W211-W222 HydrophobicContact CE3-CB 3.86Å; W211-W222 HydrophobicContact CZ3-CB 4.34Å; W211-T223 CarbonylContact C-O 3.53Å; W211-Y224 AromaticContact CD1-CD2 3.83Å; W211-Y224 AromaticContact CD2-CD2 3.91Å; W211-Y224 HydrophobicContact CD2-CD2 3.91Å; W211-Y224 HydrophobicContact CD2-CG 4.44Å; W211-Y224 AromaticContact CE2-CD2 3.82Å; W211-Y224 AromaticContact CG-CD2 3.92Å; W211-Y224 HydrophobicContact CG-CD2 3.92Å; W211-Y224 HydrophobicContact CZ2-CD2 4.38Å; W211-Y224 HydrophobicContact CZ2-CG 4.5Å; W211-Y224 AromaticContact NE1-CD2 3.8Å; W211-F264 HydrophobicContact CH2-CB 4.18Å; W211-V266 HydrophobicContact CH2-CG2 3.52Å; W211-V266 HydrophobicContact CZ3-CB 4.28Å; W211-V266 HydrophobicContact CZ3-CG2 3.48Å; W211-V266 VanDerWaalsContact CZ3-CG2 3.48Å
212K89.1Confident82.8Confident46 Ų4663.2 Ų63.220%0.239%0.387CS..EExtended strand (participates in β ladder)trans-114.8127.1173.9-179-175.2173-172.50110.4F94 N214 W222 T223 Y225F94-K212 HydrophobicContact CB-CG 4.47Å; F94-K212 HydrophobicContact CD1-CB 3.77Å; F94-K212 HydrophobicContact CD1-CG 3.91Å; F94-K212 HydrophobicContact CE1-CB 4.45Å; K212-N214 PolarHBondContact O-ND2 3.35Å; K212-W222 CarbonylContact O-C 3.59Å; K212-W222 VanDerWaalsContact O-CA 3.25Å; K212-W222 WeakPolarHBondContact O-CA 3.4Å; K212-T223 PolarHBondContact N-O 3.02Å; K212-T223 PolarHBondContact O-N 2.95Å; K212-Y225 HydrophobicContact CD-CE2 4.14Å
213A90Very high84.4Confident53 Ų5357.2 Ų57.244%0.43836%0.364SS..EExtended strand (participates in β ladder)trans-77.2133.5166.700000111.1L207L207-A213 HydrophobicContact CD1-CB 3.92Å
214N90.1Very high86.4Confident24 Ų2450.7 Ų50.713%0.12832%0.318CS..EExtended strand (participates in β ladder)trans-108.8146.4173.5-53-81.2000108.7K212 T216 W221 T223K212-N214 PolarHBondContact O-ND2 3.35Å; N214-T216 PolarHBondContact O-N 2.98Å; N214-W221 HydrophobicContact CB-CB 4.36Å; N214-W221 HydrophobicContact CB-CD2 3.62Å; N214-W221 HydrophobicContact CB-CE3 3.35Å; N214-W221 HydrophobicContact CB-CG 4.09Å; N214-W221 HydrophobicContact CB-CZ3 3.85Å; N214-W221 PolarHBondContact N-O 2.76Å; N214-W221 PolarHBondContact ND2-O 2.97Å; N214-W221 VanDerWaalsContact ND2-O 3.14Å; N214-T223 PolarHBondContact ND2-OG1 2.95Å
215S90.1Very high88.2Confident125 Ų12547.7 Ų47.787%0.87428%0.28SS*.  trans-72.8126.6-179.9-600000110.7
216T92.3Very high89.8Confident30 Ų3045.1 Ų45.118%0.18426%0.262CS..  trans-132.2144.5173.345.80000108.9N214 R218 G219 W221 L272 I273N214-T216 PolarHBondContact O-N 2.98Å; T216-R218 WeakPolarHBondContact CB-O 3.43Å; T216-R218 PolarHBondContact O-N 2.99Å; T216-R218 PolarHBondContact OG1-O 3.12Å; T216-G219 PolarHBondContact OG1-O 3.29Å; T216-W221 HydrophobicContact CG2-CB 3.6Å; T216-W221 HydrophobicContact CG2-CE3 4.12Å; T216-L272 WeakPolarHBondContact CB-O 3.47Å; T216-L272 WeakPolarHBondContact CG2-O 3.39Å; T216-I273 HydrophobicContact CG2-CG1 4.2Å
217P93.6Very high91.1Very high84 Ų8440.3 Ų40.355%0.54523%0.228SC..SBendtrans-63.6-29.2174.527-39.2000113.1L272 T274P217-L272 VanDerWaalsContact CD-O 3.28Å; P217-L272 WeakPolarHBondContact CD-O 3.42Å; P217-L272 HydrophobicContact CG-CB 4.29Å; P217-L272 HydrophobicContact CG-CD2 4.06Å; P217-L272 HydrophobicContact CG-CG 4.18Å; P217-T274 HydrophobicContact CG-CG2 3.62Å
218R93.8Very high92Very high149 Ų14940.2 Ų40.256%0.56223%0.228SC*.BIsolated β-bridgetrans-142.1151.2180-60-172.6-60.4177.15.2110T216 A271 L272T216-R218 WeakPolarHBondContact CB-O 3.43Å; T216-R218 PolarHBondContact O-N 2.99Å; T216-R218 PolarHBondContact OG1-O 3.12Å; R218-A271 VanDerWaalsContact O-CA 3.29Å; R218-A271 WeakPolarHBondContact O-CA 3.28Å; R218-L272 HydrophobicContact CB-CB 4.46Å; R218-L272 PolarHBondContact O-N 3.18Å; R218-L272 VanDerWaalsContact O-N 3.16Å
219G93.3Very high92.6Very high30 Ų3040.5 Ų40.531%0.30923%0.228SC..SBendtrans56.3-162.7-177.900000113.2T216T216-G219 PolarHBondContact OG1-O 3.29Å
220Q94.6Very high93Very high93 Ų9338.7 Ų38.744%0.43522%0.217SC..  trans-123.4139.3-175.2-60.6-63.3-41.500111.3W222 T268Q220-W222 HydrophobicContact CB-CZ2 3.85Å; Q220-W222 HydrophobicContact CG-CZ2 4.06Å; Q220-T268 HydrophobicContact CB-CG2 3.77Å; Q220-T268 PolarHBondContact N-OG1 3.5Å; Q220-T268 PolarHBondContact O-N 2.99Å; Q220-T268 PolarHBondContact O-OG1 3.47Å
221W95.6Very high93.2Very high47 Ų4741.1 Ų41.118%0.17823%0.227CC..EExtended strand (participates in β ladder)trans-128.1116.4172.6174.528.6000110.8N214 T216 T223 S265 V266 L267 I273N214-W221 HydrophobicContact CB-CB 4.36Å; N214-W221 HydrophobicContact CB-CD2 3.62Å; N214-W221 HydrophobicContact CB-CE3 3.35Å; N214-W221 HydrophobicContact CB-CG 4.09Å; N214-W221 HydrophobicContact CB-CZ3 3.85Å; N214-W221 PolarHBondContact N-O 2.76Å; N214-W221 PolarHBondContact ND2-O 2.97Å; N214-W221 VanDerWaalsContact ND2-O 3.14Å; T216-W221 HydrophobicContact CG2-CB 3.6Å; T216-W221 HydrophobicContact CG2-CE3 4.12Å; W221-T223 HydrophobicContact CZ2-CG2 4.27Å; W221-S265 PolarHBondContact NE1-OG 3.06Å; W221-V266 WeakPolarHBondContact CA-O 3.32Å; W221-L267 HydrophobicContact CB-CD1 3.87Å; W221-L267 HydrophobicContact CG-CD1 4.27Å; W221-I273 HydrophobicContact CD2-CD1 3.62Å; W221-I273 HydrophobicContact CD2-CG1 4.14Å; W221-I273 HydrophobicContact CE3-CD1 3.78Å; W221-I273 HydrophobicContact CE3-CG1 3.93Å; W221-I273 HydrophobicContact CE3-CG2 4.45Å; W221-I273 HydrophobicContact CG-CD1 4.04Å; W221-I273 HydrophobicContact CG-CG1 4.48Å; W221-I273 HydrophobicContact CH2-CD1 4.35Å; W221-I273 HydrophobicContact CZ2-CD1 4.22Å; W221-I273 HydrophobicContact CZ3-CD1 4.14Å; W221-I273 HydrophobicContact CZ3-CG1 4.42Å; W221-I273 HydrophobicContact CZ3-CG2 4.16Å
222W94.9Very high93.3Very high43 Ų4343.4 Ų43.416%0.16324%0.243CC..EExtended strand (participates in β ladder)trans-118.8146-178.7-49-33.8000111.9Y196 L207 W211 K212 Q220 V266Y196-W222 HydrophobicContact CE2-CE3 4.3Å; Y196-W222 HydrophobicContact CE2-CZ3 4.15Å; L207-W222 HydrophobicContact CD1-CG 4.39Å; L207-W222 HydrophobicContact CD2-CD2 3.49Å; L207-W222 VanDerWaalsContact CD2-CD2 3.49Å; L207-W222 HydrophobicContact CD2-CE3 3.82Å; L207-W222 HydrophobicContact CD2-CG 3.89Å; L207-W222 HydrophobicContact CD2-CH2 4.2Å; L207-W222 HydrophobicContact CD2-CZ2 3.9Å; L207-W222 HydrophobicContact CD2-CZ3 4.16Å; W211-W222 HydrophobicContact CE3-CB 3.86Å; W211-W222 HydrophobicContact CZ3-CB 4.34Å; K212-W222 CarbonylContact O-C 3.59Å; K212-W222 VanDerWaalsContact O-CA 3.25Å; K212-W222 WeakPolarHBondContact O-CA 3.4Å; Q220-W222 HydrophobicContact CB-CZ2 3.85Å; Q220-W222 HydrophobicContact CG-CZ2 4.06Å; W222-V266 HydrophobicContact CB-CB 4.46Å; W222-V266 HydrophobicContact CE3-CG1 4.25Å; W222-V266 PolarHBondContact N-O 2.9Å; W222-V266 PolarHBondContact O-N 2.98Å
223T95.6Very high93.5Very high1 Ų142 Ų421%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-132.3135.1178.344.80000111.9W211 K212 N214 W221 Y225 F264W211-T223 CarbonylContact C-O 3.53Å; K212-T223 PolarHBondContact N-O 3.02Å; K212-T223 PolarHBondContact O-N 2.95Å; N214-T223 PolarHBondContact ND2-OG1 2.95Å; W221-T223 HydrophobicContact CZ2-CG2 4.27Å; T223-Y225 WeakPolarHBondContact OG1-CE2 3.39Å; T223-F264 CarbonylContact C-O 3.5Å; T223-F264 VanDerWaalsContact CA-O 3.29Å; T223-F264 WeakPolarHBondContact CA-O 3.18Å
224Y96Very high93.6Very high0 Ų043.4 Ų43.40%024%0.241CC..EExtended strand (participates in β ladder)trans-112.294.3174.2-167.9-87.9000109.3I195 G210 W211 L226 N236 R239 C263 F264I195-Y224 HydrophobicContact CD1-CD1 3.49Å; I195-Y224 VanDerWaalsContact CD1-CD1 3.49Å; I195-Y224 HydrophobicContact CD1-CD2 3.92Å; I195-Y224 HydrophobicContact CD1-CE1 3.7Å; I195-Y224 HydrophobicContact CD1-CE2 4.14Å; I195-Y224 HydrophobicContact CD1-CG 3.59Å; G210-Y224 VanDerWaalsContact C-CD2 3.4Å; G210-Y224 WeakPolarHBondContact O-CD2 3.45Å; W211-Y224 AromaticContact CD1-CD2 3.83Å; W211-Y224 AromaticContact CD2-CD2 3.91Å; W211-Y224 HydrophobicContact CD2-CD2 3.91Å; W211-Y224 HydrophobicContact CD2-CG 4.44Å; W211-Y224 AromaticContact CE2-CD2 3.82Å; W211-Y224 AromaticContact CG-CD2 3.92Å; W211-Y224 HydrophobicContact CG-CD2 3.92Å; W211-Y224 HydrophobicContact CZ2-CD2 4.38Å; W211-Y224 HydrophobicContact CZ2-CG 4.5Å; W211-Y224 AromaticContact NE1-CD2 3.8Å; Y224-L226 HydrophobicContact CD1-CD2 4.25Å; Y224-L226 HydrophobicContact CE1-CD2 4.1Å; Y224-N236 HydrophobicContact CD1-CB 4.26Å; Y224-N236 HydrophobicContact CE1-CB 3.45Å; Y224-N236 VanDerWaalsContact CE1-CB 3.45Å; Y224-N236 WeakPolarHBondContact OH-CA 3.29Å; Y224-N236 PolarHBondContact OH-OD1 2.9Å; Y224-R239 WeakPolarHBondContact OH-CD 3.39Å; Y224-C263 WeakPolarHBondContact O-CA 3.39Å; Y224-C263 WeakPolarHBondContact O-CB 3.38Å; Y224-F264 HydrophobicContact CD1-CD2 4.11Å; Y224-F264 PolarHBondContact N-O 2.92Å; Y224-F264 PolarHBondContact O-N 2.86Å
225Y96.2Very high93.7Very high25 Ų2544.7 Ų44.710%0.09825%0.247CC..EExtended strand (participates in β ladder)trans-75.5130.5-175.4-72.3-82.5000111.9K212 T223 V227 N228 N236 N261 C263K212-Y225 HydrophobicContact CD-CE2 4.14Å; T223-Y225 WeakPolarHBondContact OG1-CE2 3.39Å; Y225-V227 WeakPolarHBondContact CD1-O 3.5Å; Y225-N228 HydrophobicContact CD1-CB 3.78Å; Y225-N228 HydrophobicContact CE1-CB 4.35Å; Y225-N228 HydrophobicContact CG-CB 3.86Å; Y225-N236 VanDerWaalsContact O-CB 3.22Å; Y225-N236 WeakPolarHBondContact O-CB 3.43Å; Y225-N236 PolarHBondContact O-ND2 3.11Å; Y225-N261 HydrophobicContact CE1-CB 4.15Å; Y225-C263 HydrophobicContact CD1-CB 3.63Å; Y225-C263 HydrophobicContact CE1-CB 4.04Å; Y225-C263 HydrophobicContact CG-CB 4.01Å
226L96.6Very high93.9Very high0 Ų038.8 Ų38.80%021%0.206CC..EExtended strand (participates in β ladder)trans-91.2-40.5161.2-57.7-176.4000109.9Y224 P232 L233 N236 V237 C240 A243 L247 A262 F264 F337Y224-L226 HydrophobicContact CD1-CD2 4.25Å; Y224-L226 HydrophobicContact CE1-CD2 4.1Å; L226-P232 CarbonylContact O-C 3.56Å; L226-P232 WeakPolarHBondContact O-CA 3.14Å; L226-L233 PolarHBondContact O-N 2.95Å; L226-N236 HydrophobicContact CD2-CB 4.24Å; L226-V237 HydrophobicContact CB-CG2 4.31Å; L226-C240 HydrophobicContact CD1-CB 4.27Å; L226-C240 HydrophobicContact CD2-CB 3.79Å; L226-A243 HydrophobicContact CD1-CB 3.51Å; L226-L247 HydrophobicContact CB-CD1 4.14Å; L226-L247 HydrophobicContact CD1-CD1 4.01Å; L226-A262 PolarHBondContact N-O 3.01Å; L226-F264 HydrophobicContact CD1-CE2 4.5Å; L226-F337 HydrophobicContact CD1-CE2 3.93Å; L226-F337 HydrophobicContact CD1-CZ 4.11Å
227V95.8Very high94Very high1 Ų138.3 Ų38.31%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-131.2127171.5-1790000108.3Y225 T231 W244 F253 N261 A262Y225-V227 WeakPolarHBondContact CD1-O 3.5Å; V227-T231 WeakPolarHBondContact CA-O 3.2Å; V227-W244 HydrophobicContact CG2-CH2 4.39Å; V227-W244 HydrophobicContact CG2-CZ3 3.67Å; V227-F253 HydrophobicContact CB-CZ 4.02Å; V227-F253 HydrophobicContact CG1-CZ 4.2Å; V227-F253 HydrophobicContact CG2-CE1 4.24Å; V227-F253 HydrophobicContact CG2-CZ 3.83Å; V227-N261 CarbonylContact O-C 3.57Å; V227-N261 VanDerWaalsContact O-CA 3.32Å; V227-N261 WeakPolarHBondContact O-CA 3.3Å; V227-A262 HydrophobicContact CB-CB 4.21Å; V227-A262 HydrophobicContact CG2-CB 4.46Å; V227-A262 PolarHBondContact N-O 3.17Å; V227-A262 PolarHBondContact O-N 3.32Å
228N93.8Very high94.1Very high12 Ų1243.1 Ų43.16%0.06421%0.21CC..EExtended strand (participates in β ladder)trans-123.3121.3173.6-177.629.4000109.1A95 Y225 G230 T231 L233 N261A95-N228 PolarHBondContact O-ND2 3.29Å; Y225-N228 HydrophobicContact CD1-CB 3.78Å; Y225-N228 HydrophobicContact CE1-CB 4.35Å; Y225-N228 HydrophobicContact CG-CB 3.86Å; N228-G230 VanDerWaalsContact C-N 3.26Å; N228-G230 PolarHBondContact O-N 3.35Å; N228-T231 PolarHBondContact N-O 3.21Å; N228-T231 PolarHBondContact O-N 2.85Å; N228-L233 HydrophobicContact CB-CD1 3.76Å; N228-N261 PolarHBondContact OD1-OD1 3.41Å
229Q92.7Very high94.1Very high22 Ų2240.4 Ų40.410%0.10320%0.2CC..THydrogen-bonded Turntrans50.746.2-178.4-62.1-17931.700112.6R104 T231 N257 V258 G260 N261 P360R104-Q229 VanDerWaalsContact NH1-CG 3.31Å; Q229-T231 PolarHBondContact O-N 3.16Å; Q229-N257 CarbonylContact C-O 3.53Å; Q229-V258 HydrophobicContact CB-CB 4.4Å; Q229-G260 CarbonylContact C-O 3.55Å; Q229-G260 WeakPolarHBondContact CA-O 3.38Å; Q229-G260 PolarHBondContact N-O 3.18Å; Q229-N261 PolarHBondContact N-OD1 2.81Å; Q229-P360 WeakPolarHBondContact O-CB 3.29Å; Q229-P360 WeakPolarHBondContact O-CG 3.24Å
230G92.1Very high94.3Very high3 Ų339 Ų393%0.03119%0.185CC..THydrogen-bonded Turntrans71.57.2179.600000115.2N228 A255 N257 G260N228-G230 VanDerWaalsContact C-N 3.26Å; N228-G230 PolarHBondContact O-N 3.35Å; G230-A255 CarbonylContact C-O 3.59Å; G230-A255 VanDerWaalsContact C-O 3.32Å; G230-A255 WeakPolarHBondContact CA-O 3.2Å; G230-N257 WeakPolarHBondContact CA-O 3.21Å; G230-N257 PolarHBondContact N-O 3.46Å; G230-G260 PolarHBondContact N-O 2.98Å
231T91.4Very high94.5Very high71 Ų7137.6 Ų37.644%0.43618%0.184SC..EExtended strand (participates in β ladder)trans-109.1119.8176.5-58.60000110V227 N228 Q229V227-T231 WeakPolarHBondContact CA-O 3.2Å; N228-T231 PolarHBondContact N-O 3.21Å; N228-T231 PolarHBondContact O-N 2.85Å; Q229-T231 PolarHBondContact O-N 3.16Å
232P92.8Very high94.7Very high53 Ų5340.5 Ų40.534%0.34420%0.195SC..EExtended strand (participates in β ladder)trans-67.1135.5174.3-21.633.6000112.7L226 V234 W244L226-P232 CarbonylContact O-C 3.56Å; L226-P232 WeakPolarHBondContact O-CA 3.14Å; P232-V234 PolarHBondContact O-N 3.22Å; P232-W244 HydrophobicContact CB-CH2 3.94Å; P232-W244 HydrophobicContact CB-CZ3 4.25Å; P232-W244 HydrophobicContact CG-CH2 3.84Å; P232-W244 HydrophobicContact CG-CZ3 4.46Å
233L92.6Very high94.8Very high17 Ų1738.5 Ų38.59%0.08919%0.187CC..  trans-91.593172.5-78.576.4000109.2A95 L226 N228 L235 N236 V237A95-L233 HydrophobicContact CB-CD1 4.26Å; A95-L233 HydrophobicContact CB-CD2 4.24Å; A95-L233 HydrophobicContact CB-CG 4.22Å; L226-L233 PolarHBondContact O-N 2.95Å; N228-L233 HydrophobicContact CB-CD1 3.76Å; L233-L235 VanDerWaalsContact C-N 3.35Å; L233-L235 PolarHBondContact O-N 3.47Å; L233-L235 VanDerWaalsContact O-N 3.17Å; L233-N236 HydrophobicContact CB-CB 4.01Å; L233-N236 WeakPolarHBondContact O-CA 3.32Å; L233-N236 WeakPolarHBondContact O-CB 3.39Å; L233-N236 PolarHBondContact O-N 3.01Å; L233-V237 WeakPolarHBondContact O-CG2 3.32Å; L233-V237 PolarHBondContact O-N 3.44Å
234V92Very high95Very high82 Ų8243.3 Ų43.350%0.49721%0.206SC..Hα-helixtrans-51.2-45-168.1178.70000113.8P232 N236 V237 R238P232-V234 PolarHBondContact O-N 3.22Å; V234-N236 VanDerWaalsContact C-N 3.34Å; V234-N236 PolarHBondContact O-N 3.3Å; V234-V237 PolarHBondContact O-N 3.28Å; V234-R238 VanDerWaalsContact O-CG 3.31Å; V234-R238 WeakPolarHBondContact O-CG 3.36Å; V234-R238 PolarHBondContact O-N 3.43Å
235L91.4Very high95.1Very high51 Ų5150.3 Ų50.327%0.26723%0.232SC..Hα-helixtrans-71.1-31.1-179.6-51.5-176.5000112.8Q91 N92 L233 R238 R239Q91-L235 HydrophobicContact CB-CD1 4.15Å; Q91-L235 WeakPolarHBondContact O-CD1 3.1Å; N92-L235 HydrophobicContact CB-CD1 3.98Å; N92-L235 WeakPolarHBondContact ND2-CB 3.3Å; L233-L235 VanDerWaalsContact C-N 3.35Å; L233-L235 PolarHBondContact O-N 3.47Å; L233-L235 VanDerWaalsContact O-N 3.17Å; L235-R238 PolarHBondContact O-N 3.44Å; L235-R239 PolarHBondContact O-N 2.85Å
236N94.1Very high95.2Very high0 Ų049.6 Ų49.60%023%0.23CC..Hα-helixtrans-71.4-42.9176.5-75.712.9000110.4N92 G210 Y224 Y225 L226 L233 V234 R238 R239 C240N92-N236 PolarHBondContact ND2-OD1 3.49Å; G210-N236 WeakPolarHBondContact CA-OD1 3.18Å; G210-N236 PolarHBondContact O-ND2 3.21Å; G210-N236 VanDerWaalsContact O-ND2 3.14Å; Y224-N236 HydrophobicContact CD1-CB 4.26Å; Y224-N236 HydrophobicContact CE1-CB 3.45Å; Y224-N236 VanDerWaalsContact CE1-CB 3.45Å; Y224-N236 WeakPolarHBondContact OH-CA 3.29Å; Y224-N236 PolarHBondContact OH-OD1 2.9Å; Y225-N236 VanDerWaalsContact O-CB 3.22Å; Y225-N236 WeakPolarHBondContact O-CB 3.43Å; Y225-N236 PolarHBondContact O-ND2 3.11Å; L226-N236 HydrophobicContact CD2-CB 4.24Å; L233-N236 HydrophobicContact CB-CB 4.01Å; L233-N236 WeakPolarHBondContact O-CA 3.32Å; L233-N236 WeakPolarHBondContact O-CB 3.39Å; L233-N236 PolarHBondContact O-N 3.01Å; V234-N236 VanDerWaalsContact C-N 3.34Å; V234-N236 PolarHBondContact O-N 3.3Å; N236-R238 VanDerWaalsContact C-N 3.3Å; N236-R238 PolarHBondContact O-N 2.97Å; N236-R239 PolarHBondContact O-N 2.89Å; N236-R239 VanDerWaalsContact O-N 3.08Å; N236-C240 PolarHBondContact O-N 3.18Å; N236-C240 VanDerWaalsContact O-N 3.15Å
237V95.3Very high95.3Very high20 Ų2049.8 Ų49.812%0.12123%0.231CC..Hα-helixtrans-56.8-42.8172.51670000111.5L226 L233 V234 R239 C240 W244L226-V237 HydrophobicContact CB-CG2 4.31Å; L233-V237 WeakPolarHBondContact O-CG2 3.32Å; L233-V237 PolarHBondContact O-N 3.44Å; V234-V237 PolarHBondContact O-N 3.28Å; V237-R239 PolarHBondContact O-N 3.05Å; V237-C240 CarbonylContact O-C 3.55Å; V237-C240 VanDerWaalsContact O-C 3.26Å; V237-C240 PolarHBondContact O-N 2.9Å; V237-C240 VanDerWaalsContact O-N 3.1Å; V237-W244 HydrophobicContact CB-CD2 4.45Å; V237-W244 HydrophobicContact CB-CE3 4.43Å; V237-W244 HydrophobicContact CG1-CB 3.85Å; V237-W244 HydrophobicContact CG1-CD2 3.5Å; V237-W244 HydrophobicContact CG1-CE3 3.95Å; V237-W244 HydrophobicContact CG1-CG 3.43Å; V237-W244 VanDerWaalsContact CG1-CG 3.43Å; V237-W244 HydrophobicContact CG2-CD2 4.09Å; V237-W244 HydrophobicContact CG2-CE3 3.61Å; V237-W244 HydrophobicContact CG2-CZ3 3.96Å
238R95.2Very high95.4Very high185 Ų18553.1 Ų53.170%0.69827%0.265SS*.Hα-helixtrans-61.8-28.7176.7-76176.2-176.9-1721.5113.7V234 L235 N236V234-R238 VanDerWaalsContact O-CG 3.31Å; V234-R238 WeakPolarHBondContact O-CG 3.36Å; V234-R238 PolarHBondContact O-N 3.43Å; L235-R238 PolarHBondContact O-N 3.44Å; N236-R238 VanDerWaalsContact C-N 3.3Å; N236-R238 PolarHBondContact O-N 2.97Å
239R94.9Very high95.6Very high93 Ų9357.3 Ų57.335%0.35129%0.285SS..Hα-helixtrans-84.7-17.7176.7-69.1-179.9-177163.74113.3I195 P209 Y224 L235 N236 V237 P241I195-R239 HydrophobicContact CG2-CB 4.12Å; P209-R239 PolarHBondContact O-NH1 3.24Å; Y224-R239 WeakPolarHBondContact OH-CD 3.39Å; L235-R239 PolarHBondContact O-N 2.85Å; N236-R239 PolarHBondContact O-N 2.89Å; N236-R239 VanDerWaalsContact O-N 3.08Å; V237-R239 PolarHBondContact O-N 3.05Å; R239-P241 WeakPolarHBondContact O-CD 3.14Å
240C97.6Very high95.9Very high0 Ų057 Ų570%028%0.284CS..  trans-124.659.5179.5-49.10000111.5E191 L226 N236 V237 R242 A243 W244 F264E191-C240 VanDerWaalsContact CD-CA 3.46Å; E191-C240 VanDerWaalsContact OE2-C 3.24Å; E191-C240 VanDerWaalsContact OE2-CA 3.23Å; E191-C240 WeakPolarHBondContact OE2-CA 3.12Å; E191-C240 WeakPolarHBondContact OE2-CB 3.2Å; L226-C240 HydrophobicContact CD1-CB 4.27Å; L226-C240 HydrophobicContact CD2-CB 3.79Å; N236-C240 PolarHBondContact O-N 3.18Å; N236-C240 VanDerWaalsContact O-N 3.15Å; V237-C240 CarbonylContact O-C 3.55Å; V237-C240 VanDerWaalsContact O-C 3.26Å; V237-C240 PolarHBondContact O-N 2.9Å; V237-C240 VanDerWaalsContact O-N 3.1Å; C240-R242 VanDerWaalsContact C-N 3.3Å; C240-R242 PolarHBondContact O-N 2.93Å; C240-A243 HydrophobicContact CB-CB 3.92Å; C240-A243 PolarHBondContact O-N 2.67Å; C240-W244 PolarHBondContact O-N 2.97Å; C240-F264 HydrophobicContact CB-CE2 4.45Å
241P98.3Very high96.2Very high64 Ų6465.7 Ų65.742%0.41632%0.316SS..Hα-helixtrans-64.6-28.5-174.726.8-36.4000113.9E191 R239 R245E191-P241 WeakPolarHBondContact OE1-CD 3.21Å; E191-P241 VanDerWaalsContact OE1-N 3.16Å; R239-P241 WeakPolarHBondContact O-CD 3.14Å; P241-R245 PolarHBondContact O-N 2.99Å; P241-R245 VanDerWaalsContact O-N 3.15Å
242R98.6Very high96.5Very high108 Ų10862.9 Ų62.941%0.40830%0.298SS..Hα-helixtrans-74-46.6175.4-59.8-175.9-71.2-117.1-1.1110.4A187 E191 C240 W244 R245 V246A187-R242 HydrophobicContact CB-CB 4.32Å; E191-R242 HydrophobicContact CG-CB 4.48Å; E191-R242 VanDerWaalsContact CG-NH2 3.32Å; E191-R242 WeakPolarHBondContact OE1-CA 3.32Å; E191-R242 WeakPolarHBondContact OE1-CB 3.43Å; E191-R242 WeakPolarHBondContact OE1-CG 3.18Å; E191-R242 PolarHBondContact OE1-N 3.39Å; E191-R242 IonicContact OE1-NE 3.6Å; E191-R242 PolarHBondContact OE2-N 2.86Å; C240-R242 VanDerWaalsContact C-N 3.3Å; C240-R242 PolarHBondContact O-N 2.93Å; R242-W244 VanDerWaalsContact C-N 3.27Å; R242-W244 PolarHBondContact O-N 2.93Å; R242-R245 WeakPolarHBondContact O-CB 3.33Å; R242-R245 PolarHBondContact O-N 3.33Å; R242-R245 VanDerWaalsContact O-N 3.11Å; R242-V246 WeakPolarHBondContact O-CG2 3.2Å; R242-V246 PolarHBondContact O-N 3.27Å
243A98.6Very high96.7Very high0 Ų061.6 Ų61.60%029%0.287CS..Hα-helixtrans-57.4-42.9174.600000111.5L188 E191 L226 C240 R245 V246 L247 F264 F337L188-A243 HydrophobicContact CD2-CB 3.46Å; L188-A243 VanDerWaalsContact CD2-CB 3.46Å; E191-A243 VanDerWaalsContact OE2-CB 3.27Å; E191-A243 WeakPolarHBondContact OE2-CB 2.97Å; E191-A243 PolarHBondContact OE2-N 2.82Å; L226-A243 HydrophobicContact CD1-CB 3.51Å; C240-A243 HydrophobicContact CB-CB 3.92Å; C240-A243 PolarHBondContact O-N 2.67Å; A243-R245 PolarHBondContact O-N 2.68Å; A243-V246 PolarHBondContact O-N 2.88Å; A243-L247 WeakPolarHBondContact O-CG 3.45Å; A243-L247 PolarHBondContact O-N 3.01Å; A243-F264 HydrophobicContact CB-CZ 4.32Å; A243-F337 HydrophobicContact CB-CE2 4.44Å; A243-F337 HydrophobicContact CB-CZ 4.31Å
244W98.4Very high97Very high103 Ų10360.8 Ų60.839%0.3928%0.283SS..Hα-helixtrans-60.9-42175.4-175.6-113.7000113.2V227 P232 V237 C240 R242 V246 L247 G248V227-W244 HydrophobicContact CG2-CH2 4.39Å; V227-W244 HydrophobicContact CG2-CZ3 3.67Å; P232-W244 HydrophobicContact CB-CH2 3.94Å; P232-W244 HydrophobicContact CB-CZ3 4.25Å; P232-W244 HydrophobicContact CG-CH2 3.84Å; P232-W244 HydrophobicContact CG-CZ3 4.46Å; V237-W244 HydrophobicContact CB-CD2 4.45Å; V237-W244 HydrophobicContact CB-CE3 4.43Å; V237-W244 HydrophobicContact CG1-CB 3.85Å; V237-W244 HydrophobicContact CG1-CD2 3.5Å; V237-W244 HydrophobicContact CG1-CE3 3.95Å; V237-W244 HydrophobicContact CG1-CG 3.43Å; V237-W244 VanDerWaalsContact CG1-CG 3.43Å; V237-W244 HydrophobicContact CG2-CD2 4.09Å; V237-W244 HydrophobicContact CG2-CE3 3.61Å; V237-W244 HydrophobicContact CG2-CZ3 3.96Å; C240-W244 PolarHBondContact O-N 2.97Å; R242-W244 VanDerWaalsContact C-N 3.27Å; R242-W244 PolarHBondContact O-N 2.93Å; W244-V246 VanDerWaalsContact C-N 3.34Å; W244-V246 PolarHBondContact O-N 3.25Å; W244-L247 HydrophobicContact CE3-CD1 4.12Å; W244-L247 HydrophobicContact CZ3-CD1 4.43Å; W244-L247 PolarHBondContact O-N 3.14Å; W244-G248 PolarHBondContact O-N 3.44Å; W244-G248 VanDerWaalsContact O-N 3.13Å
245R98.6Very high96.8Very high147 Ų14758.5 Ų58.556%0.55527%0.273SS*.Hα-helixtrans-62-42.1175.8-175.2-179.1-62.997.21.9111.9P241 R242 A243 G248 Q249P241-R245 PolarHBondContact O-N 2.99Å; P241-R245 VanDerWaalsContact O-N 3.15Å; R242-R245 WeakPolarHBondContact O-CB 3.33Å; R242-R245 PolarHBondContact O-N 3.33Å; R242-R245 VanDerWaalsContact O-N 3.11Å; A243-R245 PolarHBondContact O-N 2.68Å; R245-G248 PolarHBondContact O-N 2.74Å; R245-Q249 WeakPolarHBondContact O-CG 3.21Å; R245-Q249 PolarHBondContact O-N 3.23Å
246V98.7Very high96.7Very high10 Ų1061.1 Ų61.16%0.06129%0.287CS..Hα-helixtrans-61-47.3176.5173.70000110.3L180 L181 S184 R242 A243 W244 G248 Q249 L250L180-V246 HydrophobicContact CG-CG1 4.38Å; L181-V246 HydrophobicContact CD2-CG1 4.02Å; S184-V246 VanDerWaalsContact OG-CG2 3.3Å; S184-V246 WeakPolarHBondContact OG-CG2 3.45Å; R242-V246 WeakPolarHBondContact O-CG2 3.2Å; R242-V246 PolarHBondContact O-N 3.27Å; A243-V246 PolarHBondContact O-N 2.88Å; W244-V246 VanDerWaalsContact C-N 3.34Å; W244-V246 PolarHBondContact O-N 3.25Å; V246-G248 PolarHBondContact O-N 2.66Å; V246-Q249 WeakPolarHBondContact O-CB 3.4Å; V246-Q249 PolarHBondContact O-N 2.71Å; V246-L250 PolarHBondContact O-N 3.44Å
247L98.6Very high96.7Very high4 Ų461.1 Ų61.12%0.02129%0.287CS..Hα-helixtrans-57.3-37.8177.7-68.4175.8000112.7L226 A243 W244 Q249 L250 F253 A262 F337 V339L226-L247 HydrophobicContact CB-CD1 4.14Å; L226-L247 HydrophobicContact CD1-CD1 4.01Å; A243-L247 WeakPolarHBondContact O-CG 3.45Å; A243-L247 PolarHBondContact O-N 3.01Å; W244-L247 HydrophobicContact CE3-CD1 4.12Å; W244-L247 HydrophobicContact CZ3-CD1 4.43Å; W244-L247 PolarHBondContact O-N 3.14Å; L247-Q249 PolarHBondContact O-N 3.48Å; L247-L250 HydrophobicContact CD2-CD1 3.92Å; L247-L250 PolarHBondContact O-N 2.83Å; L247-F253 HydrophobicContact CB-CD1 4.24Å; L247-F253 HydrophobicContact CB-CE1 4.17Å; L247-F253 HydrophobicContact CD2-CD1 4.49Å; L247-F253 HydrophobicContact CD2-CE1 4.39Å; L247-F253 HydrophobicContact CD2-CE2 4.45Å; L247-F253 HydrophobicContact CD2-CZ 4.37Å; L247-A262 HydrophobicContact CD1-CB 3.53Å; L247-A262 HydrophobicContact CD2-CB 3.67Å; L247-A262 HydrophobicContact CG-CB 4.27Å; L247-F337 HydrophobicContact CD1-CZ 4.43Å; L247-F337 HydrophobicContact CD2-CE1 4.11Å; L247-F337 HydrophobicContact CD2-CZ 4.04Å; L247-F337 HydrophobicContact CG-CZ 4.28Å; L247-V339 HydrophobicContact CD2-CG1 4.02Å; L247-V339 HydrophobicContact CD2-CG2 3.86Å
248G98.1Very high96.6Very high70 Ų7060.3 Ų60.372%0.72228%0.282SS*.THydrogen-bonded Turntrans-70.4-11.2177.100000115.2W244 R245 V246W244-G248 PolarHBondContact O-N 3.44Å; W244-G248 VanDerWaalsContact O-N 3.13Å; R245-G248 PolarHBondContact O-N 2.74Å; V246-G248 PolarHBondContact O-N 2.66Å
249Q98.5Very high96.6Very high101 Ų10151.5 Ų51.547%0.47225%0.249SC..THydrogen-bonded Turntrans-101.8-13.2179.2-72175.2-1000112.9L180 R245 V246 L247L180-Q249 HydrophobicContact CD2-CB 3.46Å; L180-Q249 VanDerWaalsContact CD2-CB 3.46Å; R245-Q249 WeakPolarHBondContact O-CG 3.21Å; R245-Q249 PolarHBondContact O-N 3.23Å; V246-Q249 WeakPolarHBondContact O-CB 3.4Å; V246-Q249 PolarHBondContact O-N 2.71Å; L247-Q249 PolarHBondContact O-N 3.48Å
250L98.6Very high96.7Very high15 Ų1547.1 Ų47.18%0.07923%0.232CC..  trans-69.6131176.2-62.1172.9000110.6D177 L180 L181 V246 L247 F253 V339 L341D177-L250 HydrophobicContact CB-CD2 3.75Å; L180-L250 HydrophobicContact CB-CD2 4.5Å; L180-L250 HydrophobicContact CD2-CD2 3.91Å; L180-L250 HydrophobicContact CD2-CG 4.46Å; L181-L250 HydrophobicContact CD1-CD2 4.38Å; L181-L250 HydrophobicContact CD2-CD1 4.39Å; L181-L250 HydrophobicContact CD2-CD2 4.41Å; L181-L250 HydrophobicContact CG-CD2 3.99Å; V246-L250 PolarHBondContact O-N 3.44Å; L247-L250 HydrophobicContact CD2-CD1 3.92Å; L247-L250 PolarHBondContact O-N 2.83Å; L250-F253 HydrophobicContact CB-CB 3.65Å; L250-F253 HydrophobicContact CD1-CB 4.03Å; L250-F253 HydrophobicContact CD1-CG 4.47Å; L250-F253 HydrophobicContact CG-CB 4.5Å; L250-V339 HydrophobicContact CD1-CG1 3.87Å; L250-L341 HydrophobicContact CD1-CD2 4.39Å
251R97.6Very high96.6Very high186 Ų18647.1 Ų47.170%0.70223%0.233SC*.SBendtrans-76-30.4-176.9-69.1177.3-171.3-170.91.2113H176 D177H176-R251 WeakPolarHBondContact CD2-CD 3.32Å; H176-R251 VanDerWaalsContact CD2-CG 3.47Å; H176-R251 WeakPolarHBondContact CD2-CG 3.31Å; H176-R251 PolarHBondContact CD2-NE 2.93Å; H176-R251 PolarHBondContact NE2-NE 3.43Å; H176-R251 VanDerWaalsContact NE2-NE 3.14Å; D177-R251 PolarHBondContact OD1-N 2.86Å; D177-R251 PolarHBondContact OD2-N 3.29Å
252T97.4Very high96.7Very high12 Ų1244.1 Ų44.17%0.07421%0.213CC..SBendtrans-115.97.4-17370.10000113.1Q174 D177 I254 L341 W342Q174-T252 PolarHBondContact OE1-OG1 3.28Å; D177-T252 WeakPolarHBondContact OD2-CB 3.4Å; D177-T252 PolarHBondContact OD2-N 2.66Å; D177-T252 PolarHBondContact OD2-OG1 3.26Å; T252-I254 PolarHBondContact O-N 3.28Å; T252-L341 CarbonylContact O-C 3.53Å; T252-L341 WeakPolarHBondContact O-CA 3.22Å; T252-W342 VanDerWaalsContact O-CD1 3.31Å; T252-W342 PolarHBondContact O-N 3.13Å
253F98.3Very high96.6Very high25 Ų2539 Ų3911%0.1119%0.193CC..BIsolated β-bridgetrans-59.9129.4175.7174.4-130.2000111.8V227 L247 L250 A255 A262 V339 D340 L341V227-F253 HydrophobicContact CB-CZ 4.02Å; V227-F253 HydrophobicContact CG1-CZ 4.2Å; V227-F253 HydrophobicContact CG2-CE1 4.24Å; V227-F253 HydrophobicContact CG2-CZ 3.83Å; L247-F253 HydrophobicContact CB-CD1 4.24Å; L247-F253 HydrophobicContact CB-CE1 4.17Å; L247-F253 HydrophobicContact CD2-CD1 4.49Å; L247-F253 HydrophobicContact CD2-CE1 4.39Å; L247-F253 HydrophobicContact CD2-CE2 4.45Å; L247-F253 HydrophobicContact CD2-CZ 4.37Å; L250-F253 HydrophobicContact CB-CB 3.65Å; L250-F253 HydrophobicContact CD1-CB 4.03Å; L250-F253 HydrophobicContact CD1-CG 4.47Å; L250-F253 HydrophobicContact CG-CB 4.5Å; F253-A255 HydrophobicContact CD1-CB 3.83Å; F253-A255 HydrophobicContact CE1-CB 3.69Å; F253-A255 HydrophobicContact CZ-CB 4.46Å; F253-A255 PolarHBondContact O-N 2.91Å; F253-A255 VanDerWaalsContact O-N 3.15Å; F253-A262 HydrophobicContact CE2-CB 3.93Å; F253-A262 HydrophobicContact CZ-CB 3.9Å; F253-V339 HydrophobicContact CD2-CG1 3.39Å; F253-V339 HydrophobicContact CE2-CG1 3.85Å; F253-V339 HydrophobicContact CG-CG1 4.23Å; F253-D340 WeakPolarHBondContact CD2-O 3.4Å; F253-L341 HydrophobicContact CB-CD2 4.29Å
254I97.4Very high96.6Very high0 Ų039 Ų390%019%0.193CC..  trans-83.590177.4-54.7-176.9000108.4T252 N257 G260 R283 D340 W342T252-I254 PolarHBondContact O-N 3.28Å; I254-N257 HydrophobicContact CG2-CB 3.28Å; I254-G260 WeakPolarHBondContact O-CA 3.35Å; I254-R283 HydrophobicContact CD1-CB 3.59Å; I254-D340 PolarHBondContact N-O 3.11Å; I254-D340 VanDerWaalsContact N-O 3.16Å; I254-W342 HydrophobicContact CD1-CD2 3.91Å; I254-W342 HydrophobicContact CD1-CE3 4.07Å; I254-W342 HydrophobicContact CD1-CG 4.25Å; I254-W342 HydrophobicContact CD1-CZ3 4.45Å; I254-W342 HydrophobicContact CG1-CD2 3.84Å; I254-W342 HydrophobicContact CG1-CE3 4.5Å; I254-W342 HydrophobicContact CG1-CG 3.85Å; I254-W342 HydrophobicContact CG1-CZ2 4.43Å; I254-W342 HydrophobicContact CG2-CZ2 4.29Å
255A89.3Confident96.6Very high35 Ų3534.3 Ų34.329%0.28918%0.177SC..  trans-89-32.8-172.200000114.8G230 F253G230-A255 CarbonylContact C-O 3.59Å; G230-A255 VanDerWaalsContact C-O 3.32Å; G230-A255 WeakPolarHBondContact CA-O 3.2Å; F253-A255 HydrophobicContact CD1-CB 3.83Å; F253-A255 HydrophobicContact CE1-CB 3.69Å; F253-A255 HydrophobicContact CZ-CB 4.46Å; F253-A255 PolarHBondContact O-N 2.91Å; F253-A255 VanDerWaalsContact O-N 3.15Å
256N88.6Confident96.6Very high106 Ų10627.3 Ų27.357%0.56715%0.15SC*.SBendtrans-127.242.6-169.6-63.3-45.7000112.2P360N256-P360 VanDerWaalsContact C-CD 3.5Å; N256-P360 WeakPolarHBondContact O-CD 3.25Å
257N93.5Very high96.6Very high0 Ų026.8 Ų26.80%015%0.147CC..SBendtrans-139.9143.4-177.1-161.6-63.8000109.8Q229 G230 I254 F259 G260 L354 D355 F358Q229-N257 CarbonylContact C-O 3.53Å; G230-N257 WeakPolarHBondContact CA-O 3.21Å; G230-N257 PolarHBondContact N-O 3.46Å; I254-N257 HydrophobicContact CG2-CB 3.28Å; N257-F259 PolarHBondContact O-N 2.85Å; N257-F259 WeakPolarHBondContact OD1-CB 3.4Å; N257-F259 VanDerWaalsContact OD1-CD2 3.26Å; N257-F259 WeakPolarHBondContact OD1-CD2 3.46Å; N257-F259 WeakPolarHBondContact OD1-CG 3.46Å; N257-F259 PolarHBondContact OD1-N 2.54Å; N257-G260 PolarHBondContact O-N 3.18Å; N257-L354 PolarHBondContact ND2-O 2.98Å; N257-L354 VanDerWaalsContact ND2-O 3.12Å; N257-D355 WeakPolarHBondContact CB-OD1 3.22Å; N257-D355 WeakPolarHBondContact ND2-CA 3.41Å; N257-D355 PolarHBondContact ND2-OD1 3.17Å; N257-F358 WeakPolarHBondContact CA-O 3.39Å; N257-F358 VanDerWaalsContact OD1-CB 3.26Å; N257-F358 WeakPolarHBondContact OD1-CB 3.45Å
258V93.3Very high96.5Very high3 Ų327.8 Ų27.82%0.01815%0.153CC..THydrogen-bonded Turntrans-60.9-16176.9-57.30000113.8R104 Q229 F358 P360R104-V258 HydrophobicContact CB-CB 4.5Å; R104-V258 HydrophobicContact CB-CG2 4.3Å; R104-V258 PolarHBondContact NH1-O 3.09Å; Q229-V258 HydrophobicContact CB-CB 4.4Å; V258-F358 WeakPolarHBondContact CG1-O 3.27Å; V258-F358 HydrophobicContact CG2-CB 3.91Å; V258-F358 HydrophobicContact CG2-CD1 4.08Å; V258-F358 HydrophobicContact CG2-CG 4.41Å; V258-F358 PolarHBondContact N-O 2.91Å; V258-P360 HydrophobicContact CG1-CB 4.43Å; V258-P360 HydrophobicContact CG1-CG 4.44Å
259F95.6Very high96.4Very high0 Ų025.8 Ų25.80%013%0.128CC..THydrogen-bonded Turntrans-85.8-3.7172.6-56.6-40.4000114.5V157 F158 N257 P279 T280 V282 R283 F358V157-F259 HydrophobicContact CB-CE1 3.93Å; V157-F259 HydrophobicContact CB-CZ 4.29Å; V157-F259 HydrophobicContact CG1-CE1 3.86Å; V157-F259 HydrophobicContact CG1-CZ 3.96Å; V157-F259 HydrophobicContact CG2-CE1 4.49Å; F158-F259 HydrophobicContact CB-CE2 4.11Å; F158-F259 HydrophobicContact CB-CZ 3.69Å; N257-F259 PolarHBondContact O-N 2.85Å; N257-F259 WeakPolarHBondContact OD1-CB 3.4Å; N257-F259 VanDerWaalsContact OD1-CD2 3.26Å; N257-F259 WeakPolarHBondContact OD1-CD2 3.46Å; N257-F259 WeakPolarHBondContact OD1-CG 3.46Å; N257-F259 PolarHBondContact OD1-N 2.54Å; F259-P279 HydrophobicContact CD1-CB 3.94Å; F259-P279 HydrophobicContact CD1-CG 3.91Å; F259-P279 HydrophobicContact CE1-CB 3.98Å; F259-P279 HydrophobicContact CE1-CG 4.46Å; F259-T280 HydrophobicContact CB-CG2 3.87Å; F259-T280 HydrophobicContact CD1-CG2 3.76Å; F259-T280 HydrophobicContact CD2-CG2 3.7Å; F259-T280 HydrophobicContact CE1-CG2 4.19Å; F259-T280 HydrophobicContact CE2-CG2 4.11Å; F259-T280 HydrophobicContact CG-CG2 3.5Å; F259-T280 HydrophobicContact CZ-CG2 4.35Å; F259-V282 HydrophobicContact CD2-CG2 4.08Å; F259-R283 WeakPolarHBondContact O-CD 3.47Å; F259-R283 PolarHBondContact O-NH1 2.87Å; F259-F358 HydrophobicContact CD2-CB 4.48Å; F259-F358 HydrophobicContact CD2-CD2 4.29Å; F259-F358 HydrophobicContact CD2-CG 4.25Å; F259-F358 HydrophobicContact CE1-CD1 4.46Å; F259-F358 HydrophobicContact CE2-CB 4.26Å; F259-F358 AromaticContact CE2-CD1 3.76Å; F259-F358 HydrophobicContact CE2-CD1 3.76Å; F259-F358 AromaticContact CE2-CD2 3.52Å; F259-F358 HydrophobicContact CE2-CD2 3.52Å; F259-F358 AromaticContact CE2-CE1 3.89Å; F259-F358 HydrophobicContact CE2-CE1 3.89Å; F259-F358 AromaticContact CE2-CE2 3.66Å; F259-F358 HydrophobicContact CE2-CE2 3.66Å; F259-F358 AromaticContact CE2-CG 3.57Å; F259-F358 HydrophobicContact CE2-CG 3.57Å; F259-F358 AromaticContact CE2-CZ 3.84Å; F259-F358 HydrophobicContact CE2-CZ 3.84Å; F259-F358 AromaticContact CZ-CD1 3.62Å; F259-F358 HydrophobicContact CZ-CD1 3.62Å; F259-F358 HydrophobicContact CZ-CD2 4.18Å; F259-F358 AromaticContact CZ-CE1 3.52Å; F259-F358 HydrophobicContact CZ-CE1 3.52Å; F259-F358 HydrophobicContact CZ-CE2 4.11Å; F259-F358 AromaticContact CZ-CG 3.95Å; F259-F358 HydrophobicContact CZ-CG 3.95Å; F259-F358 AromaticContact CZ-CZ 3.79Å; F259-F358 HydrophobicContact CZ-CZ 3.79Å
260G96.4Very high96.3Very high0 Ų022.5 Ų22.50%012%0.121CC..  trans-95.2130.9-179.200000113.4Q229 G230 I254 N257Q229-G260 CarbonylContact C-O 3.55Å; Q229-G260 WeakPolarHBondContact CA-O 3.38Å; Q229-G260 PolarHBondContact N-O 3.18Å; G230-G260 PolarHBondContact N-O 2.98Å; I254-G260 WeakPolarHBondContact O-CA 3.35Å; N257-G260 PolarHBondContact O-N 3.18Å
261N97.3Very high96.3Very high1 Ų121.9 Ų21.91%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-139.1151.5168.9-48.9-81.1000110.7R104 Y225 V227 N228 Q229 R283 M338 D340R104-N261 PolarHBondContact NH1-ND2 3.17Å; Y225-N261 HydrophobicContact CE1-CB 4.15Å; V227-N261 CarbonylContact O-C 3.57Å; V227-N261 VanDerWaalsContact O-CA 3.32Å; V227-N261 WeakPolarHBondContact O-CA 3.3Å; N228-N261 PolarHBondContact OD1-OD1 3.41Å; Q229-N261 PolarHBondContact N-OD1 2.81Å; N261-R283 PolarHBondContact ND2-NH1 3.43Å; N261-M338 HydrophobicContact CB-CE 3.98Å; N261-D340 VanDerWaalsContact CB-OD2 3.31Å; N261-D340 WeakPolarHBondContact CB-OD2 3.31Å; N261-D340 PolarHBondContact N-OD2 2.82Å; N261-D340 PolarHBondContact ND2-OD2 3.49Å; N261-D340 PolarHBondContact O-N 3.06Å
262A98.5Very high96.3Very high0 Ų014.8 Ų14.80%09%0.094CC..EExtended strand (participates in β ladder)trans-140.4122.2166.400000109.3L226 V227 L247 F253 M338L226-A262 PolarHBondContact N-O 3.01Å; V227-A262 HydrophobicContact CB-CB 4.21Å; V227-A262 HydrophobicContact CG2-CB 4.46Å; V227-A262 PolarHBondContact N-O 3.17Å; V227-A262 PolarHBondContact O-N 3.32Å; L247-A262 HydrophobicContact CD1-CB 3.53Å; L247-A262 HydrophobicContact CD2-CB 3.67Å; L247-A262 HydrophobicContact CG-CB 4.27Å; F253-A262 HydrophobicContact CE2-CB 3.93Å; F253-A262 HydrophobicContact CZ-CB 3.9Å; A262-M338 CarbonylContact C-O 3.32Å; A262-M338 VanDerWaalsContact CA-O 3.25Å; A262-M338 WeakPolarHBondContact CA-O 3.49Å
263C98.2Very high96.3Very high0 Ų015 Ų150%09%0.094CC..EExtended strand (participates in β ladder)trans-155.2159-178.571.60000113.7Y224 Y225 M338Y224-C263 WeakPolarHBondContact O-CA 3.39Å; Y224-C263 WeakPolarHBondContact O-CB 3.38Å; Y225-C263 HydrophobicContact CD1-CB 3.63Å; Y225-C263 HydrophobicContact CE1-CB 4.04Å; Y225-C263 HydrophobicContact CG-CB 4.01Å; C263-M338 PolarHBondContact N-O 3.16Å; C263-M338 PolarHBondContact O-N 3.11Å; C263-M338 VanDerWaalsContact SG-CE 3.52Å
264F98.6Very high96.2Very high0 Ų017.4 Ų17.40%011%0.111CC..EExtended strand (participates in β ladder)trans-80.2133.5156.8-58.3-81.7000108.8F192 I195 W211 T223 Y224 L226 C240 A243 L290 F337F192-F264 HydrophobicContact CB-CD1 3.78Å; F192-F264 HydrophobicContact CB-CE1 3.71Å; F192-F264 HydrophobicContact CB-CG 4.43Å; F192-F264 HydrophobicContact CB-CZ 4.31Å; F192-F264 HydrophobicContact CD2-CB 4.2Å; F192-F264 HydrophobicContact CD2-CD1 4.15Å; F192-F264 HydrophobicContact CD2-CG 4.25Å; F192-F264 HydrophobicContact CG-CD1 4.32Å; I195-F264 HydrophobicContact CD1-CD2 3.75Å; I195-F264 HydrophobicContact CD1-CE2 4.04Å; I195-F264 HydrophobicContact CD1-CG 4.49Å; W211-F264 HydrophobicContact CH2-CB 4.18Å; T223-F264 CarbonylContact C-O 3.5Å; T223-F264 VanDerWaalsContact CA-O 3.29Å; T223-F264 WeakPolarHBondContact CA-O 3.18Å; Y224-F264 HydrophobicContact CD1-CD2 4.11Å; Y224-F264 PolarHBondContact N-O 2.92Å; Y224-F264 PolarHBondContact O-N 2.86Å; L226-F264 HydrophobicContact CD1-CE2 4.5Å; C240-F264 HydrophobicContact CB-CE2 4.45Å; A243-F264 HydrophobicContact CB-CZ 4.32Å; F264-L290 HydrophobicContact CD1-CD1 3.57Å; F264-L290 HydrophobicContact CE1-CD1 3.65Å; F264-F337 HydrophobicContact CD1-CB 4.44Å; F264-F337 AromaticContact CD1-CD2 3.68Å; F264-F337 HydrophobicContact CD1-CD2 3.68Å; F264-F337 HydrophobicContact CD1-CE2 4.48Å; F264-F337 HydrophobicContact CD2-CD2 4.44Å; F264-F337 AromaticContact CE1-CD2 3.59Å; F264-F337 HydrophobicContact CE1-CD2 3.59Å; F264-F337 HydrophobicContact CE1-CE2 4.18Å; F264-F337 HydrophobicContact CE1-CG 4.35Å; F264-F337 HydrophobicContact CE2-CD2 4.36Å; F264-F337 HydrophobicContact CE2-CE2 4.25Å; F264-F337 HydrophobicContact CG-CD2 4.13Å; F264-F337 AromaticContact CZ-CD2 3.96Å; F264-F337 HydrophobicContact CZ-CD2 3.96Å; F264-F337 HydrophobicContact CZ-CE2 4.07Å
265S98.3Very high96.2Very high5 Ų522.4 Ų22.44%0.03514%0.135CC..EExtended strand (participates in β ladder)trans-124.7122-179.2-173.70000109.6W221 V335 V336W221-S265 PolarHBondContact NE1-OG 3.06Å; S265-V335 WeakPolarHBondContact O-CA 3.5Å; S265-V336 PolarHBondContact N-O 2.7Å; S265-V336 PolarHBondContact O-N 2.94Å
266V97.9Very high96.4Very high0 Ų023.4 Ų23.40%013%0.133CC..EExtended strand (participates in β ladder)trans-116.2123.3-174.2-179.90000108.9F192 Y196 W211 W221 W222 P333 R334 V335F192-V266 HydrophobicContact CE2-CG2 3.7Å; F192-V266 HydrophobicContact CZ-CG2 4.21Å; Y196-V266 HydrophobicContact CE2-CG1 4.18Å; Y196-V266 HydrophobicContact CE2-CG2 4.35Å; W211-V266 HydrophobicContact CH2-CG2 3.52Å; W211-V266 HydrophobicContact CZ3-CB 4.28Å; W211-V266 HydrophobicContact CZ3-CG2 3.48Å; W211-V266 VanDerWaalsContact CZ3-CG2 3.48Å; W221-V266 WeakPolarHBondContact CA-O 3.32Å; W222-V266 HydrophobicContact CB-CB 4.46Å; W222-V266 HydrophobicContact CE3-CG1 4.25Å; W222-V266 PolarHBondContact N-O 2.9Å; W222-V266 PolarHBondContact O-N 2.98Å; V266-P333 HydrophobicContact CG1-CB 3.72Å; V266-P333 HydrophobicContact CG1-CG 4.29Å; V266-R334 WeakPolarHBondContact CA-O 3.47Å; V266-V335 HydrophobicContact CG2-CG1 4.31Å; V266-V335 HydrophobicContact CG2-CG2 4.26Å
267L97.8Very high96.7Very high0 Ų020 Ų200%011%0.113CC..EExtended strand (participates in β ladder)trans-119.6120.2175.7-169.169.9000109W221 A271 I273 H325 P333 R334W221-L267 HydrophobicContact CB-CD1 3.87Å; W221-L267 HydrophobicContact CG-CD1 4.27Å; L267-A271 HydrophobicContact CD1-CB 3.39Å; L267-A271 HydrophobicContact CD2-CB 4.47Å; L267-A271 HydrophobicContact CG-CB 3.72Å; L267-I273 HydrophobicContact CD1-CD1 4.05Å; L267-I273 HydrophobicContact CD1-CG1 3.99Å; L267-H325 HydrophobicContact CD2-CB 4.06Å; L267-H325 HydrophobicContact CG-CB 4.36Å; L267-P333 WeakPolarHBondContact O-CA 3.37Å; L267-R334 PolarHBondContact N-O 3.03Å; L267-R334 PolarHBondContact O-N 3.34Å
268T97.1Very high96.8Very high24 Ų2420.1 Ų20.115%0.14711%0.114CC..  trans-78.3160.8-178.365.10000112.2Q220 A271 H325Q220-T268 HydrophobicContact CB-CG2 3.77Å; Q220-T268 PolarHBondContact N-OG1 3.5Å; Q220-T268 PolarHBondContact O-N 2.99Å; Q220-T268 PolarHBondContact O-OG1 3.47Å; T268-A271 WeakPolarHBondContact O-CB 3.42Å; T268-A271 PolarHBondContact O-N 2.85Å; T268-A271 VanDerWaalsContact O-N 3.12Å; T268-H325 VanDerWaalsContact C-CD2 3.45Å
269P97.3Very high96.9Very high28 Ų2820.2 Ų20.218%0.18211%0.114CC..THydrogen-bonded Turntrans-49.9142166.9-27.535.2000112.4A271 H325 G327 N328 G332P269-A271 PolarHBondContact O-N 3.33Å; P269-H325 VanDerWaalsContact N-CD2 3.33Å; P269-G327 WeakPolarHBondContact CB-O 3.37Å; P269-N328 WeakPolarHBondContact CB-O 3.34Å; P269-N328 VanDerWaalsContact CG-O 3.28Å; P269-N328 WeakPolarHBondContact CG-O 3.43Å; P269-G332 WeakPolarHBondContact CD-O 3.38Å; P269-G332 VanDerWaalsContact CG-O 3.24Å; P269-G332 WeakPolarHBondContact CG-O 3.29Å
270G96.4Very high96.9Very high33 Ų3320.2 Ų20.234%0.3411%0.114SC..THydrogen-bonded Turntrans73.3-0.7-175.900000115.6H325G270-H325 CarbonylContact C-O 3.18Å; G270-H325 WeakPolarHBondContact CA-O 3.38Å; G270-H325 PolarHBondContact N-O 3.42Å
271A97.4Very high96.9Very high1 Ų120.3 Ų20.31%0.00812%0.115CC..  trans-79.4143-176.200000112.8R218 L267 T268 P269 F324 H325R218-A271 VanDerWaalsContact O-CA 3.29Å; R218-A271 WeakPolarHBondContact O-CA 3.28Å; L267-A271 HydrophobicContact CD1-CB 3.39Å; L267-A271 HydrophobicContact CD2-CB 4.47Å; L267-A271 HydrophobicContact CG-CB 3.72Å; T268-A271 WeakPolarHBondContact O-CB 3.42Å; T268-A271 PolarHBondContact O-N 2.85Å; T268-A271 VanDerWaalsContact O-N 3.12Å; P269-A271 PolarHBondContact O-N 3.33Å; A271-F324 VanDerWaalsContact O-CA 3.3Å; A271-F324 WeakPolarHBondContact O-CA 3.1Å; A271-H325 PolarHBondContact N-O 2.9Å; A271-H325 PolarHBondContact O-N 3.48Å
272L97.5Very high96.9Very high37 Ų3720.2 Ų20.219%0.19411%0.114CC..EExtended strand (participates in β ladder)trans-128.1122.9177.4172.264.1000109.4T216 P217 R218 F324T216-L272 WeakPolarHBondContact CB-O 3.47Å; T216-L272 WeakPolarHBondContact CG2-O 3.39Å; P217-L272 VanDerWaalsContact CD-O 3.28Å; P217-L272 WeakPolarHBondContact CD-O 3.42Å; P217-L272 HydrophobicContact CG-CB 4.29Å; P217-L272 HydrophobicContact CG-CD2 4.06Å; P217-L272 HydrophobicContact CG-CG 4.18Å; R218-L272 HydrophobicContact CB-CB 4.46Å; R218-L272 PolarHBondContact O-N 3.18Å; R218-L272 VanDerWaalsContact O-N 3.16Å; L272-F324 HydrophobicContact CD1-CB 3.96Å
273I97.6Very high96.9Very high16 Ų1620.3 Ų20.38%0.08212%0.115CC..EExtended strand (participates in β ladder)trans-95.4116.4163.2-56.2176.6000106.4T216 W221 L267 H276 R322 A323T216-I273 HydrophobicContact CG2-CG1 4.2Å; W221-I273 HydrophobicContact CD2-CD1 3.62Å; W221-I273 HydrophobicContact CD2-CG1 4.14Å; W221-I273 HydrophobicContact CE3-CD1 3.78Å; W221-I273 HydrophobicContact CE3-CG1 3.93Å; W221-I273 HydrophobicContact CE3-CG2 4.45Å; W221-I273 HydrophobicContact CG-CD1 4.04Å; W221-I273 HydrophobicContact CG-CG1 4.48Å; W221-I273 HydrophobicContact CH2-CD1 4.35Å; W221-I273 HydrophobicContact CZ2-CD1 4.22Å; W221-I273 HydrophobicContact CZ3-CD1 4.14Å; W221-I273 HydrophobicContact CZ3-CG1 4.42Å; W221-I273 HydrophobicContact CZ3-CG2 4.16Å; L267-I273 HydrophobicContact CD1-CD1 4.05Å; L267-I273 HydrophobicContact CD1-CG1 3.99Å; I273-H276 WeakPolarHBondContact CG2-CE1 3.35Å; I273-R322 WeakPolarHBondContact O-CB 3.45Å; I273-A323 HydrophobicContact CB-CB 4.49Å; I273-A323 HydrophobicContact CD1-CB 4.37Å; I273-A323 PolarHBondContact N-O 2.87Å; I273-A323 PolarHBondContact O-N 3.06Å
274T96.9Very high96.9Very high76 Ų7620.3 Ų20.347%0.46612%0.115SC..EExtended strand (participates in β ladder)trans-65.2165.1-177.752.60000111.8P217 H276P217-T274 HydrophobicContact CG-CG2 3.62Å; T274-H276 PolarHBondContact O-N 2.86Å; T274-H276 PolarHBondContact O-ND1 3.11Å
275E96Very high96.9Very high105 Ų10521.5 Ų21.549%0.49112%0.119SC..EExtended strand (participates in β ladder)trans-59.2126175.4-66.7174.2177.600111.1L320 H321 R322E275-L320 HydrophobicContact CB-CD1 3.87Å; E275-L320 HydrophobicContact CB-CD2 4.44Å; E275-L320 HydrophobicContact CB-CG 4.15Å; E275-H321 VanDerWaalsContact CA-O 3.3Å; E275-H321 WeakPolarHBondContact CA-O 3.4Å; E275-R322 HydrophobicContact CG-CB 3.84Å; E275-R322 HydrophobicContact CG-CG 4.14Å; E275-R322 IonicContact OE1-CZ 3.63Å; E275-R322 IonicContact OE1-NH1 3.33Å; E275-R322 PolarHBondContact OE1-NH1 2.99Å
276H95Very high96.9Very high57 Ų5721.3 Ų21.326%0.26412%0.118SC..EExtended strand (participates in β ladder)trans-152.7176.8-179.463.6-68.5000110.8I273 T274 H321I273-H276 WeakPolarHBondContact CG2-CE1 3.35Å; T274-H276 PolarHBondContact O-N 2.86Å; T274-H276 PolarHBondContact O-ND1 3.11Å; H276-H321 AromaticContact CD2-CE1 3.88Å; H276-H321 AromaticContact CD2-NE2 3.6Å; H276-H321 AromaticContact CE1-CD2 3.58Å; H276-H321 AromaticContact CE1-NE2 3.41Å; H276-H321 PolarHBondContact CE1-NE2 3.01Å; H276-H321 PolarHBondContact N-O 3.07Å; H276-H321 PolarHBondContact ND1-O 3.1Å; H276-H321 AromaticContact NE2-CD2 3.79Å; H276-H321 AromaticContact NE2-CE1 3.87Å; H276-H321 AromaticContact NE2-NE2 3.11Å; H276-H321 PolarHBondContact NE2-NE2 3.49Å; H276-H321 VanDerWaalsContact NE2-NE2 3.11Å; H276-H321 PolarHBondContact O-N 3.24Å; H276-H321 PolarHBondContact O-ND1 3.5Å; H276-H321 VanDerWaalsContact O-ND1 3.17Å
277Y95.1Very high97Very high35 Ų3521.9 Ų21.914%0.13712%0.121CC..  trans-124.1150.1178.7-60.9-85.9000110.2I152 R154 S318 L320I152-Y277 WeakPolarHBondContact O-CE1 3.15Å; R154-Y277 HydrophobicContact CB-CD1 4.04Å; R154-Y277 HydrophobicContact CB-CE1 3.75Å; R154-Y277 HydrophobicContact CB-CE2 4.45Å; R154-Y277 HydrophobicContact CB-CG 4.45Å; R154-Y277 VanDerWaalsContact O-CB 3.23Å; R154-Y277 WeakPolarHBondContact O-CB 3.4Å; R154-Y277 WeakPolarHBondContact O-CD1 3.18Å; Y277-S318 WeakPolarHBondContact CD1-O 3.45Å; Y277-L320 HydrophobicContact CD1-CB 4.33Å; Y277-L320 HydrophobicContact CD1-CD1 4.49Å; Y277-L320 HydrophobicContact CD2-CD1 4.14Å; Y277-L320 VanDerWaalsContact CE1-CA 3.5Å; Y277-L320 HydrophobicContact CE1-CB 3.6Å; Y277-L320 HydrophobicContact CE1-CD1 3.93Å; Y277-L320 HydrophobicContact CE1-CG 4.4Å; Y277-L320 VanDerWaalsContact CE1-N 3.31Å; Y277-L320 HydrophobicContact CE2-CD1 3.47Å; Y277-L320 VanDerWaalsContact CE2-CD1 3.47Å
278G95.1Very high97Very high2 Ų221.9 Ų21.92%0.02112%0.121CC..  trans-73.2167.8169.500000111.7P155 E156 T280 D317P155-G278 CarbonylContact C-O 3.44Å; P155-G278 WeakPolarHBondContact CA-O 3.05Å; E156-G278 PolarHBondContact N-O 3.13Å; G278-T280 VanDerWaalsContact C-N 3.31Å; G278-T280 PolarHBondContact O-N 2.8Å; G278-D317 WeakPolarHBondContact CA-O 3.43Å; G278-D317 VanDerWaalsContact CA-OD2 3.31Å; G278-D317 WeakPolarHBondContact CA-OD2 3.34Å; G278-D317 PolarHBondContact N-O 2.61Å
279P94Very high97.1Very high4 Ų420.8 Ų20.83%0.02611%0.113CC..SBendtrans-74.6-20.4-177.830.8-34.7000113.2R104 V157 F158 F259 R283R104-P279 HydrophobicContact CG-CB 4.45Å; V157-P279 WeakPolarHBondContact CA-O 3.47Å; V157-P279 HydrophobicContact CB-CB 4.21Å; V157-P279 VanDerWaalsContact CB-O 3.29Å; V157-P279 WeakPolarHBondContact CB-O 3.5Å; V157-P279 HydrophobicContact CG2-CB 3.72Å; V157-P279 PolarHBondContact N-O 3.04Å; F158-P279 PolarHBondContact N-O 3.4Å; F259-P279 HydrophobicContact CD1-CB 3.94Å; F259-P279 HydrophobicContact CD1-CG 3.91Å; F259-P279 HydrophobicContact CE1-CB 3.98Å; F259-P279 HydrophobicContact CE1-CG 4.46Å; P279-R283 VanDerWaalsContact CD-NH2 3.33Å
280T96.2Very high97.2Very high0 Ų019.4 Ų19.40%011%0.105CC..BIsolated β-bridgetrans-161.4154.7-173.7-168.20000113.8P155 F158 F259 G278 V282 R283P155-T280 VanDerWaalsContact CB-CA 3.44Å; F158-T280 WeakPolarHBondContact O-CA 3.11Å; F158-T280 WeakPolarHBondContact O-CB 3.36Å; F158-T280 PolarHBondContact O-OG1 2.6Å; F259-T280 HydrophobicContact CB-CG2 3.87Å; F259-T280 HydrophobicContact CD1-CG2 3.76Å; F259-T280 HydrophobicContact CD2-CG2 3.7Å; F259-T280 HydrophobicContact CE1-CG2 4.19Å; F259-T280 HydrophobicContact CE2-CG2 4.11Å; F259-T280 HydrophobicContact CG-CG2 3.5Å; F259-T280 HydrophobicContact CZ-CG2 4.35Å; G278-T280 VanDerWaalsContact C-N 3.31Å; G278-T280 PolarHBondContact O-N 2.8Å; T280-V282 HydrophobicContact CG2-CG2 3.57Å; T280-V282 WeakPolarHBondContact OG1-CG2 3.27Å; T280-V282 PolarHBondContact OG1-N 3.14Å; T280-R283 HydrophobicContact CG2-CG 4.13Å
281N97.1Very high97.3Very high2 Ų221.6 Ų21.61%0.01110%0.103CC..SBendtrans-90.80.617272.9-30.1000113.8F159 L160 R283 S318F159-N281 WeakPolarHBondContact CA-OD1 3.38Å; F159-N281 HydrophobicContact CD2-CB 4.35Å; F159-N281 HydrophobicContact CE2-CB 4.42Å; F159-N281 WeakPolarHBondContact CE2-ND2 3.43Å; L160-N281 PolarHBondContact N-OD1 3.4Å; L160-N281 PolarHBondContact O-ND2 2.83Å; N281-R283 PolarHBondContact O-N 3.27Å; N281-S318 WeakPolarHBondContact CB-OG 3.35Å
282V97.7Very high97.3Very high0 Ų023 Ų230%011%0.111CC..SBendtrans-78.60.5179.8-550000113.4F158 L160 L163 F259 T280 W342 H343 V346 L354F158-V282 HydrophobicContact CD1-CG1 4.08Å; F158-V282 HydrophobicContact CE1-CG1 4.08Å; L160-V282 HydrophobicContact CB-CG1 3.51Å; L160-V282 HydrophobicContact CD2-CG1 4.07Å; L160-V282 HydrophobicContact CG-CG1 4.36Å; L163-V282 HydrophobicContact CD1-CG1 4.4Å; F259-V282 HydrophobicContact CD2-CG2 4.08Å; T280-V282 HydrophobicContact CG2-CG2 3.57Å; T280-V282 WeakPolarHBondContact OG1-CG2 3.27Å; T280-V282 PolarHBondContact OG1-N 3.14Å; V282-W342 HydrophobicContact CB-CE3 4.4Å; V282-W342 HydrophobicContact CB-CZ3 4Å; V282-W342 HydrophobicContact CG2-CE3 4.3Å; V282-W342 HydrophobicContact CG2-CZ3 3.63Å; V282-H343 VanDerWaalsContact O-CB 3.3Å; V282-H343 WeakPolarHBondContact O-CB 3.33Å; V282-H343 PolarHBondContact O-N 3.39Å; V282-V346 HydrophobicContact CB-CG2 4.09Å; V282-L354 HydrophobicContact CB-CD1 4.24Å; V282-L354 HydrophobicContact CG1-CD1 3.97Å; V282-L354 HydrophobicContact CG2-CD1 4.38Å
283R97.7Very high97.2Very high1 Ų122 Ų220%0.00411%0.107CC..EExtended strand (participates in β ladder)trans-127.6153.5-178.974.7-173.3-169.8163.59.2111.3I254 F259 N261 P279 T280 N281 D317 D340 L341I254-R283 HydrophobicContact CD1-CB 3.59Å; F259-R283 WeakPolarHBondContact O-CD 3.47Å; F259-R283 PolarHBondContact O-NH1 2.87Å; N261-R283 PolarHBondContact ND2-NH1 3.43Å; P279-R283 VanDerWaalsContact CD-NH2 3.33Å; T280-R283 HydrophobicContact CG2-CG 4.13Å; N281-R283 PolarHBondContact O-N 3.27Å; R283-D317 IonicContact CZ-OD1 2.71Å; R283-D317 IonicContact CZ-OD2 3.59Å; R283-D317 IonicContact NE-OD1 2.92Å; R283-D317 PolarHBondContact NE-OD1 2.84Å; R283-D317 IonicContact NE-OD2 3.73Å; R283-D317 IonicContact NH2-OD1 3.74Å; R283-D317 PolarHBondContact NH2-OD1 3.33Å; R283-D317 IonicContact NH2-OD2 3.6Å; R283-D317 PolarHBondContact NH2-OD2 2.82Å; R283-D340 IonicContact CZ-OD1 2.93Å; R283-D340 IonicContact CZ-OD2 3.52Å; R283-D340 IonicContact NH1-OD1 3.49Å; R283-D340 IonicContact NH1-OD2 2.66Å; R283-D340 PolarHBondContact NH1-OD2 2.93Å; R283-D340 IonicContact NH2-OD1 2.66Å; R283-D340 IonicContact NH2-OD2 3.23Å; R283-L341 CarbonylContact C-O 3.55Å; R283-L341 WeakPolarHBondContact CA-O 3.48Å; R283-L341 WeakPolarHBondContact CB-O 3.41Å
284L98.4Very high97.1Very high0 Ų025.3 Ų25.30%013%0.129CC..EExtended strand (participates in β ladder)trans-106.6139.9160.2-60.8-177000108.5F169 V173 D316 L341 P344F169-L284 HydrophobicContact CB-CD1 4.1Å; F169-L284 HydrophobicContact CD1-CD1 4.06Å; F169-L284 HydrophobicContact CD2-CD1 3.97Å; F169-L284 HydrophobicContact CD2-CD2 3.5Å; F169-L284 VanDerWaalsContact CD2-CD2 3.5Å; F169-L284 HydrophobicContact CD2-CG 4.39Å; F169-L284 HydrophobicContact CE1-CD1 4.48Å; F169-L284 HydrophobicContact CE2-CD1 4.42Å; F169-L284 HydrophobicContact CE2-CD2 3.37Å; F169-L284 HydrophobicContact CG-CD1 3.77Å; F169-L284 HydrophobicContact CG-CD2 4.16Å; F169-L284 HydrophobicContact CZ-CD2 3.93Å; V173-L284 HydrophobicContact CG2-CD1 4.31Å; L284-D316 HydrophobicContact CD2-CB 4.06Å; L284-L341 PolarHBondContact N-O 3.11Å; L284-L341 PolarHBondContact O-N 3.34Å; L284-P344 HydrophobicContact CD1-CG 4.42Å
285R98.7Very high97Very high26 Ų2625 Ų2510%0.09813%0.13CC..EExtended strand (participates in β ladder)trans-92.3121.7171.6179.5158.7-75.4-175.5-13.7109.2H287 L314 F315 D317 M338 D340R285-H287 WeakPolarHBondContact CD-NE2 3.5Å; R285-L314 WeakPolarHBondContact O-CA 3.44Å; R285-F315 HydrophobicContact CB-CD1 4.4Å; R285-F315 HydrophobicContact CB-CD2 4.39Å; R285-F315 HydrophobicContact CB-CE1 4.01Å; R285-F315 HydrophobicContact CB-CE2 4.01Å; R285-F315 HydrophobicContact CB-CZ 3.81Å; R285-F315 VanDerWaalsContact CD-CZ 3.42Å; R285-F315 HydrophobicContact CG-CE1 3.72Å; R285-F315 HydrophobicContact CG-CE2 4.15Å; R285-F315 HydrophobicContact CG-CZ 3.5Å; R285-F315 VanDerWaalsContact CG-CZ 3.5Å; R285-F315 PolarHBondContact N-O 3.25Å; R285-F315 WeakPolarHBondContact O-CD1 3.26Å; R285-F315 PolarHBondContact O-N 2.8Å; R285-D317 HydrophobicContact CB-CB 4.26Å; R285-D317 IonicContact CZ-OD2 3.28Å; R285-D317 IonicContact NE-OD2 2.85Å; R285-D317 IonicContact NH1-OD2 3.8Å; R285-D317 PolarHBondContact NH1-OD2 2.86Å; R285-D317 IonicContact NH2-OD2 3.14Å; R285-M338 HydrophobicContact CG-CG 3.97Å; R285-M338 HydrophobicContact CG-SD 4.38Å; R285-M338 PolarHBondContact NE-SD 3.42Å; R285-D340 IonicContact CZ-OD1 3.43Å; R285-D340 IonicContact NE-OD1 3.87Å; R285-D340 PolarHBondContact NE-OD1 3.39Å; R285-D340 IonicContact NH2-OD1 3.82Å; R285-D340 PolarHBondContact NH2-OD1 3Å; R285-D340 IonicContact NH2-OD2 3.63Å; R285-D340 PolarHBondContact NH2-OD2 2.6Å
286C98.8Very high97.1Very high0 Ų020.3 Ų20.30%011%0.109CC..EExtended strand (participates in β ladder)trans-105.7122.1177.7-176.50000109.6L313 L314 M338 V339 L341C286-L313 WeakPolarHBondContact CA-O 3.5Å; C286-L314 HydrophobicContact CB-CG 4.3Å; C286-M338 WeakPolarHBondContact O-CA 3.41Å; C286-V339 PolarHBondContact N-O 2.91Å; C286-V339 PolarHBondContact O-N 3.4Å; C286-L341 HydrophobicContact CB-CD1 3.95Å; C286-L341 HydrophobicContact CB-CG 4.32Å
287H98.9Very high97.2Very high13 Ų1320.2 Ų20.26%0.0611%0.109CC..EExtended strand (participates in β ladder)trans-108.8113.1172.4-74.9-171000109.6R285 W307 C312 L313 F315 V336R285-H287 WeakPolarHBondContact CD-NE2 3.5Å; H287-W307 AromaticContact CG-NE1 3.73Å; H287-W307 AromaticContact ND1-CE2 3.74Å; H287-W307 AromaticContact ND1-CZ2 3.8Å; H287-W307 AromaticContact ND1-NE1 3.19Å; H287-W307 PolarHBondContact ND1-NE1 3.45Å; H287-W307 VanDerWaalsContact ND1-NE1 3.19Å; H287-C312 CarbonylContact O-C 3.39Å; H287-C312 WeakPolarHBondContact O-CA 3.37Å; H287-L313 PolarHBondContact N-O 3.12Å; H287-L313 PolarHBondContact O-N 2.86Å; H287-F315 AromaticContact CD2-CE1 3.89Å; H287-F315 AromaticContact CE1-CE1 3.78Å; H287-F315 AromaticContact CE1-CZ 3.74Å; H287-F315 AromaticContact CG-CE1 3.94Å; H287-F315 AromaticContact ND1-CE1 3.88Å; H287-F315 AromaticContact NE2-CE1 3.81Å; H287-F315 AromaticContact NE2-CZ 3.74Å; H287-V336 HydrophobicContact CB-CB 4.19Å; H287-V336 HydrophobicContact CB-CG1 4.31Å; H287-V336 HydrophobicContact CB-CG2 4.44Å
288L98.9Very high97.4Very high0 Ų018.8 Ų18.80%010%0.103CC..EExtended strand (participates in β ladder)trans-83.9120.9163.5175.969.1000108.9L181 E182 F185 L188 L290 V336 F337L181-L288 HydrophobicContact CB-CD2 4.45Å; L181-L288 WeakPolarHBondContact O-CD2 3.47Å; E182-L288 HydrophobicContact CG-CD1 4.21Å; F185-L288 HydrophobicContact CB-CD2 4.36Å; L188-L288 HydrophobicContact CD1-CD2 3.54Å; L288-L290 HydrophobicContact CD2-CD2 4.02Å; L288-L290 HydrophobicContact CG-CD2 4.27Å; L288-L290 PolarHBondContact O-N 2.94Å; L288-V336 CarbonylContact O-C 3.51Å; L288-V336 VanDerWaalsContact O-CA 3.23Å; L288-V336 WeakPolarHBondContact O-CA 3.26Å; L288-V336 WeakPolarHBondContact O-CB 3.17Å; L288-F337 HydrophobicContact CB-CB 4.32Å; L288-F337 PolarHBondContact N-O 3.09Å; L288-F337 PolarHBondContact O-N 3.25Å
289G98.8Very high97.6Very high0 Ų019.5 Ų19.50%011%0.107CC..EExtended strand (participates in β ladder)trans-67.4120.7174.500000111.3F185 E309 G310 S311F185-G289 WeakPolarHBondContact CD2-O 3.32Å; F185-G289 VanDerWaalsContact CE2-O 3.26Å; F185-G289 WeakPolarHBondContact CE2-O 3.44Å; G289-E309 WeakPolarHBondContact O-CA 3.36Å; G289-G310 PolarHBondContact O-N 3.16Å; G289-S311 PolarHBondContact N-O 2.91Å; G289-S311 VanDerWaalsContact N-O 3.13Å
290L98.8Very high97.8Very high0 Ų019.3 Ų19.30%011%0.106CC..EExtended strand (participates in β ladder)trans-102.2-44.2176.7-65.4-173.4000112.2F185 L188 L189 F192 F264 L288 V335 F337F185-L290 HydrophobicContact CD2-CD2 3.85Å; F185-L290 HydrophobicContact CE2-CD2 4.21Å; L188-L290 HydrophobicContact CB-CD2 4.1Å; L189-L290 HydrophobicContact CB-CD2 4.49Å; L189-L290 HydrophobicContact CD1-CB 4.21Å; F192-L290 HydrophobicContact CB-CD1 4.17Å; F192-L290 HydrophobicContact CG-CD1 4.49Å; F264-L290 HydrophobicContact CD1-CD1 3.57Å; F264-L290 HydrophobicContact CE1-CD1 3.65Å; L288-L290 HydrophobicContact CD2-CD2 4.02Å; L288-L290 HydrophobicContact CG-CD2 4.27Å; L288-L290 PolarHBondContact O-N 2.94Å; L290-V335 HydrophobicContact CB-CB 4.23Å; L290-V335 HydrophobicContact CB-CG1 4.03Å; L290-V335 HydrophobicContact CD1-CG1 4.14Å; L290-V335 PolarHBondContact N-O 3.06Å; L290-F337 HydrophobicContact CD1-CB 4.07Å; L290-F337 HydrophobicContact CG-CB 4.27Å
291R98.3Very high97.8Very high79 Ų7920.2 Ų20.230%0.29812%0.116SC..EExtended strand (participates in β ladder)trans-138.9122.6169.9-71.5-174.6154.9152.90.8108.6L189 E193 E309 R334 V335L189-R291 HydrophobicContact CD1-CG 4.17Å; E193-R291 VanDerWaalsContact CD-CZ 3.41Å; E193-R291 VanDerWaalsContact CD-NH1 3.27Å; E193-R291 IonicContact OE1-CZ 3.26Å; E193-R291 VanDerWaalsContact OE1-CZ 3.26Å; E193-R291 IonicContact OE1-NH1 3.88Å; E193-R291 PolarHBondContact OE1-NH1 2.79Å; E193-R291 IonicContact OE1-NH2 2.56Å; E193-R291 PolarHBondContact OE1-NH2 3.15Å; E193-R291 IonicContact OE2-CZ 3.31Å; E193-R291 VanDerWaalsContact OE2-CZ 3.31Å; E193-R291 IonicContact OE2-NH1 2.64Å; E193-R291 PolarHBondContact OE2-NH1 3.44Å; E193-R291 IonicContact OE2-NH2 3.44Å; E193-R291 PolarHBondContact OE2-NH2 3.38Å; R291-E309 VanDerWaalsContact CA-OE1 3.32Å; R291-E309 WeakPolarHBondContact CA-OE1 3.46Å; R291-R334 WeakPolarHBondContact O-CA 3.44Å; R291-V335 HydrophobicContact CB-CB 3.96Å; R291-V335 HydrophobicContact CB-CG2 3.95Å; R291-V335 HydrophobicContact CG-CG2 4.45Å; R291-V335 PolarHBondContact N-O 2.92Å; R291-V335 VanDerWaalsContact N-O 3.08Å; R291-V335 PolarHBondContact O-N 3.01Å
292V97.5Very high97.7Very high31 Ų3123.1 Ų23.119%0.18815%0.146CC..  trans-130.986.1-173.7-171.60000109.7W307 E309V292-W307 HydrophobicContact CB-CB 4.37Å; V292-W307 HydrophobicContact CG1-CB 3.71Å; V292-W307 HydrophobicContact CG2-CB 3.66Å; V292-E309 HydrophobicContact CB-CG 3.98Å; V292-E309 HydrophobicContact CG2-CG 3.89Å; V292-E309 PolarHBondContact N-OE1 3.34Å
293P96.6Very high97.7Very high16 Ų1627.5 Ų27.510%0.10417%0.166CC..  trans-64.1163.4170.327-31.7000111.2H325 D331 R334P293-H325 WeakPolarHBondContact CG-NE2 3.48Å; P293-D331 HydrophobicContact CB-CB 3.95Å; P293-D331 WeakPolarHBondContact CB-O 3.29Å; P293-R334 HydrophobicContact CG-CB 4.18Å
294P94.1Very high97.7Very high84 Ų8431 Ų3155%0.54519%0.189SC..SBendtrans-60.6169.5173.428.2-35.7000111.8C296P294-C296 VanDerWaalsContact C-N 3.27Å; P294-C296 PolarHBondContact O-N 2.81Å
295S96.1Very high97.7Very high70 Ų7035 Ų3549%0.4921%0.207SC..SBendtrans60.433175-51.90000114.3H325 D326S295-H325 CarbonylContact O-C 3.26Å; S295-H325 WeakPolarHBondContact O-CA 3.21Å; S295-D326 PolarHBondContact O-N 3.15Å
296C97.4Very high97.6Very high6 Ų637.6 Ų37.64%0.04123%0.229CC..EExtended strand (participates in β ladder)trans-111.2119.1173-69.40000110.3P294 C306 W307 R334P294-C296 VanDerWaalsContact C-N 3.27Å; P294-C296 PolarHBondContact O-N 2.81Å; C296-C306 PolarHBondContact O-SG 3.38Å; C296-W307 HydrophobicContact CB-CE3 4.01Å; C296-W307 HydrophobicContact CB-CZ3 4.04Å; C296-R334 HydrophobicContact CB-CG 4.19Å; C296-R334 VanDerWaalsContact SG-CB 3.57Å
297E97.9Very high97.6Very high56 Ų5638 Ų3826%0.26223%0.231SC..EExtended strand (participates in β ladder)trans-128.1142.5-177.7-172178.890.200111.3V299 P304 A323 F324E297-V299 HydrophobicContact CG-CG2 4.11Å; E297-V299 WeakPolarHBondContact OE1-CG2 3.17Å; E297-P304 HydrophobicContact CG-CB 4.05Å; E297-A323 VanDerWaalsContact O-CA 3.32Å; E297-A323 WeakPolarHBondContact O-CA 3.49Å; E297-F324 HydrophobicContact CB-CD1 4.32Å; E297-F324 HydrophobicContact CB-CE1 3.67Å; E297-F324 HydrophobicContact CB-CE2 3.93Å; E297-F324 HydrophobicContact CB-CZ 3.46Å; E297-F324 VanDerWaalsContact CB-CZ 3.46Å; E297-F324 HydrophobicContact CG-CE1 4.04Å; E297-F324 HydrophobicContact CG-CZ 4.01Å; E297-F324 PolarHBondContact N-O 3.35Å; E297-F324 VanDerWaalsContact N-O 3.1Å; E297-F324 PolarHBondContact O-N 2.95Å; E297-F324 WeakPolarHBondContact OE1-CE1 3.23Å; E297-F324 WeakPolarHBondContact OE1-CZ 3.47Å
298L98.6Very high97.6Very high4 Ų440.9 Ų40.92%0.02125%0.252CS..EExtended strand (participates in β ladder)trans-112.8128165.7-177.766.2000108F168 V300 P304 Q305 W307 L313 F315 A323F168-L298 HydrophobicContact CE1-CD2 4.08Å; F168-L298 HydrophobicContact CZ-CD2 4.43Å; L298-V300 HydrophobicContact CD1-CG2 4.24Å; L298-V300 HydrophobicContact CD2-CG2 3.84Å; L298-V300 HydrophobicContact CG-CG2 3.75Å; L298-P304 CarbonylContact O-C 3.53Å; L298-P304 WeakPolarHBondContact O-CA 3.35Å; L298-Q305 PolarHBondContact N-O 3.11Å; L298-Q305 PolarHBondContact O-N 2.7Å; L298-W307 HydrophobicContact CB-CH2 3.51Å; L298-W307 HydrophobicContact CB-CZ2 3.63Å; L298-W307 HydrophobicContact CB-CZ3 4.25Å; L298-W307 HydrophobicContact CD1-CH2 4.38Å; L298-W307 HydrophobicContact CD1-CZ2 4.22Å; L298-W307 HydrophobicContact CD2-CZ2 4.11Å; L298-W307 HydrophobicContact CG-CH2 4.4Å; L298-W307 HydrophobicContact CG-CZ2 4.19Å; L298-L313 HydrophobicContact CD2-CD2 3.83Å; L298-F315 HydrophobicContact CD2-CD1 3.72Å; L298-F315 HydrophobicContact CD2-CD2 4.33Å; L298-F315 HydrophobicContact CD2-CE1 3.66Å; L298-F315 HydrophobicContact CD2-CE2 4.26Å; L298-F315 HydrophobicContact CD2-CG 4.06Å; L298-F315 HydrophobicContact CD2-CZ 3.93Å; L298-A323 HydrophobicContact CD1-CB 3.96Å
299V98.5Very high97.5Very high18 Ų1846.2 Ų46.211%0.10928%0.277CS..EExtended strand (participates in β ladder)trans-113.2123.2171.5-174.40000108E297 E303 P304 H321 R322E297-V299 HydrophobicContact CG-CG2 4.11Å; E297-V299 WeakPolarHBondContact OE1-CG2 3.17Å; V299-E303 WeakPolarHBondContact CA-O 3.21Å; V299-P304 HydrophobicContact CG2-CB 4.32Å; V299-H321 CarbonylContact O-C 3.5Å; V299-H321 WeakPolarHBondContact O-CA 3.38Å; V299-H321 WeakPolarHBondContact O-CB 3.48Å; V299-R322 HydrophobicContact CB-CG 3.92Å; V299-R322 HydrophobicContact CG2-CG 4.31Å; V299-R322 PolarHBondContact N-O 2.82Å; V299-R322 PolarHBondContact O-N 3.49Å
300V98.4Very high97.5Very high0 Ų047.1 Ų47.10%029%0.286CS..EExtended strand (participates in β ladder)trans-127.1124177.6-172.20000108.3P167 F168 L298 G302 E303 F315 F319 H321P167-V300 HydrophobicContact CB-CB 4.18Å; P167-V300 HydrophobicContact CB-CG1 3.93Å; P167-V300 WeakPolarHBondContact CB-O 3.32Å; F168-V300 HydrophobicContact CE1-CB 4.38Å; F168-V300 HydrophobicContact CE1-CG2 3.92Å; F168-V300 HydrophobicContact CE2-CB 3.82Å; F168-V300 HydrophobicContact CE2-CG2 4.18Å; F168-V300 HydrophobicContact CZ-CB 3.7Å; F168-V300 HydrophobicContact CZ-CG2 3.51Å; L298-V300 HydrophobicContact CD1-CG2 4.24Å; L298-V300 HydrophobicContact CD2-CG2 3.84Å; L298-V300 HydrophobicContact CG-CG2 3.75Å; V300-G302 PolarHBondContact O-N 3.42Å; V300-E303 PolarHBondContact N-O 2.81Å; V300-E303 PolarHBondContact O-N 2.99Å; V300-F315 HydrophobicContact CG1-CD2 4.4Å; V300-F315 HydrophobicContact CG2-CB 4.1Å; V300-F315 HydrophobicContact CG2-CD2 3.75Å; V300-F315 HydrophobicContact CG2-CE2 4.41Å; V300-F315 HydrophobicContact CG2-CG 4.08Å; V300-F319 HydrophobicContact CG1-CB 3.71Å; V300-H321 HydrophobicContact CB-CB 4.33Å; V300-H321 HydrophobicContact CG1-CB 4.28Å; V300-H321 HydrophobicContact CG2-CB 3.97Å
301G96.2Very high97.5Very high19 Ų1949.7 Ų49.720%0.19630%0.304CS..THydrogen-bonded Turntrans59.720.8-179.800000114.5L320G301-L320 PolarHBondContact N-O 2.84Å
302G96.2Very high97.5Very high63 Ų6346.8 Ų46.865%0.64930%0.296SS*.THydrogen-bonded Turntrans90.3-3.9-174.900000114.9V300V300-G302 PolarHBondContact O-N 3.42Å
303E97.2Very high97.6Very high92 Ų9246.6 Ų46.643%0.4329%0.294SS..EExtended strand (participates in β ladder)trans-96120.8178.5-66.7176.3-153.100110.4F168 V299 V300F168-E303 HydrophobicContact CD2-CB 4.09Å; F168-E303 HydrophobicContact CE2-CB 3.76Å; F168-E303 WeakPolarHBondContact CE2-O 3.48Å; V299-E303 WeakPolarHBondContact CA-O 3.21Å; V300-E303 PolarHBondContact N-O 2.81Å; V300-E303 PolarHBondContact O-N 2.99Å
304P97.8Very high97.7Very high73 Ų7346 Ų4647%0.47429%0.29SS..EExtended strand (participates in β ladder)trans-82.1142.5176.132.2-33.3000111.8E297 L298 V299E297-P304 HydrophobicContact CG-CB 4.05Å; L298-P304 CarbonylContact O-C 3.53Å; L298-P304 WeakPolarHBondContact O-CA 3.35Å; V299-P304 HydrophobicContact CG2-CB 4.32Å
305Q97.9Very high97.9Very high84 Ų8442.1 Ų42.139%0.39326%0.264SS..EExtended strand (participates in β ladder)trans-142.7152.6172.5-70.8-63.8-26.400110.7F168 L298 L313F168-Q305 HydrophobicContact CD1-CG 3.85Å; F168-Q305 HydrophobicContact CD2-CG 3.89Å; F168-Q305 HydrophobicContact CE1-CB 3.77Å; F168-Q305 HydrophobicContact CE1-CG 3.45Å; F168-Q305 VanDerWaalsContact CE1-CG 3.45Å; F168-Q305 HydrophobicContact CE2-CB 4.34Å; F168-Q305 HydrophobicContact CE2-CG 3.49Å; F168-Q305 VanDerWaalsContact CE2-CG 3.49Å; F168-Q305 HydrophobicContact CG-CG 4.05Å; F168-Q305 HydrophobicContact CZ-CB 3.65Å; F168-Q305 HydrophobicContact CZ-CG 3.24Å; L298-Q305 PolarHBondContact N-O 3.11Å; L298-Q305 PolarHBondContact O-N 2.7Å; Q305-L313 HydrophobicContact CB-CD1 4.27Å; Q305-L313 HydrophobicContact CB-CD2 4.13Å; Q305-L313 HydrophobicContact CG-CD1 4.4Å
306C97.1Very high98Very high81 Ų8138.8 Ų38.855%0.54724%0.241SC..  trans-110.6157.6172.7-64.80000110.2C296C296-C306 PolarHBondContact O-SG 3.38Å
307W98.4Very high98Very high10 Ų1038.6 Ų38.64%0.03824%0.24CC..  trans-83164.4170.1-63.2-85.1000110.9H287 V292 C296 L298 A323 R334 V336H287-W307 AromaticContact CG-NE1 3.73Å; H287-W307 AromaticContact ND1-CE2 3.74Å; H287-W307 AromaticContact ND1-CZ2 3.8Å; H287-W307 AromaticContact ND1-NE1 3.19Å; H287-W307 PolarHBondContact ND1-NE1 3.45Å; H287-W307 VanDerWaalsContact ND1-NE1 3.19Å; V292-W307 HydrophobicContact CB-CB 4.37Å; V292-W307 HydrophobicContact CG1-CB 3.71Å; V292-W307 HydrophobicContact CG2-CB 3.66Å; C296-W307 HydrophobicContact CB-CE3 4.01Å; C296-W307 HydrophobicContact CB-CZ3 4.04Å; L298-W307 HydrophobicContact CB-CH2 3.51Å; L298-W307 HydrophobicContact CB-CZ2 3.63Å; L298-W307 HydrophobicContact CB-CZ3 4.25Å; L298-W307 HydrophobicContact CD1-CH2 4.38Å; L298-W307 HydrophobicContact CD1-CZ2 4.22Å; L298-W307 HydrophobicContact CD2-CZ2 4.11Å; L298-W307 HydrophobicContact CG-CH2 4.4Å; L298-W307 HydrophobicContact CG-CZ2 4.19Å; W307-A323 HydrophobicContact CH2-CB 4.16Å; W307-R334 HydrophobicContact CE3-CG 4.42Å; W307-V336 HydrophobicContact CD2-CG1 4.43Å; W307-V336 HydrophobicContact CG-CG1 4.13Å
308S98Very high98Very high73 Ų7336 Ų3651%0.5123%0.227SC..  trans-137.5141.5166.6-58.90000108.5G310 S311S308-G310 PolarHBondContact O-N 2.93Å; S308-S311 PolarHBondContact O-N 2.89Å
309E98.7Very high97.9Very high111 Ų11136.4 Ų36.452%0.51923%0.229SC..BIsolated β-bridgetrans-62135.8177.5-66.1-173.7175.200110.6F185 G289 R291 V292 S311F185-E309 HydrophobicContact CE2-CB 4.33Å; F185-E309 HydrophobicContact CZ-CB 4.37Å; G289-E309 WeakPolarHBondContact O-CA 3.36Å; R291-E309 VanDerWaalsContact CA-OE1 3.32Å; R291-E309 WeakPolarHBondContact CA-OE1 3.46Å; V292-E309 HydrophobicContact CB-CG 3.98Å; V292-E309 HydrophobicContact CG2-CG 3.89Å; V292-E309 PolarHBondContact N-OE1 3.34Å; E309-S311 PolarHBondContact O-N 3.44Å
310G98.6Very high97.8Very high19 Ų1937.9 Ų37.920%0.19624%0.236CC..THydrogen-bonded Turntrans76.6-2.6-179.300000115.2E182 F185 G289 S308E182-G310 WeakPolarHBondContact CB-O 3.38Å; E182-G310 VanDerWaalsContact CG-O 3.29Å; E182-G310 WeakPolarHBondContact CG-O 3.45Å; F185-G310 VanDerWaalsContact CD2-CA 3.48Å; G289-G310 PolarHBondContact O-N 3.16Å; S308-G310 PolarHBondContact O-N 2.93Å
311S98.6Very high97.8Very high54 Ų5438.2 Ų38.238%0.37824%0.238SC..  trans-113.5143.9-178.1-610000112.3G289 S308 E309G289-S311 PolarHBondContact N-O 2.91Å; G289-S311 VanDerWaalsContact N-O 3.13Å; S308-S311 PolarHBondContact O-N 2.89Å; E309-S311 PolarHBondContact O-N 3.44Å
312C98.8Very high97.9Very high19 Ų1941.7 Ų41.713%0.12825%0.245CC..EExtended strand (participates in β ladder)trans-87.8135.1173.7-700000112.7V178 E182 H287 L314V178-C312 HydrophobicContact CG1-CB 3.79Å; V178-C312 HydrophobicContact CG2-CB 4.28Å; E182-C312 HydrophobicContact CG-CB 4.48Å; E182-C312 PolarHBondContact OE1-N 3.39Å; H287-C312 CarbonylContact O-C 3.39Å; H287-C312 WeakPolarHBondContact O-CA 3.37Å; C312-L314 HydrophobicContact CB-CD1 4.11Å
313L98.7Very high98Very high26 Ų2639 Ų3914%0.13622%0.216CC..EExtended strand (participates in β ladder)trans-110.6121.6167.9-179.563.6000109.4F168 C286 H287 L298 Q305F168-L313 HydrophobicContact CD1-CD1 3.89Å; F168-L313 HydrophobicContact CD1-CG 4.47Å; F168-L313 HydrophobicContact CE1-CD1 4.01Å; F168-L313 HydrophobicContact CE1-CD2 4.3Å; F168-L313 HydrophobicContact CE1-CG 4.3Å; C286-L313 WeakPolarHBondContact CA-O 3.5Å; H287-L313 PolarHBondContact N-O 3.12Å; H287-L313 PolarHBondContact O-N 2.86Å; L298-L313 HydrophobicContact CD2-CD2 3.83Å; Q305-L313 HydrophobicContact CB-CD1 4.27Å; Q305-L313 HydrophobicContact CB-CD2 4.13Å; Q305-L313 HydrophobicContact CG-CD1 4.4Å
314L98.6Very high98Very high4 Ų436.7 Ų36.72%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-111.2128.5-178.5-6688.8000110.6F168 F169 Q174 V178 R285 C286 C312F168-L314 WeakPolarHBondContact CA-O 3.26Å; F169-L314 HydrophobicContact CB-CB 4.17Å; F169-L314 PolarHBondContact N-O 3.14Å; Q174-L314 HydrophobicContact CB-CD2 3.83Å; Q174-L314 HydrophobicContact CG-CD2 3.87Å; V178-L314 HydrophobicContact CG2-CD1 3.71Å; V178-L314 HydrophobicContact CG2-CD2 4.11Å; V178-L314 HydrophobicContact CG2-CG 4.46Å; R285-L314 WeakPolarHBondContact O-CA 3.44Å; C286-L314 HydrophobicContact CB-CG 4.3Å; C312-L314 HydrophobicContact CB-CD1 4.11Å
315F98.6Very high98Very high2 Ų233.3 Ų33.31%0.00918%0.183CC..EExtended strand (participates in β ladder)trans-145.6155.6179.863.4-81.7000111.8P167 F168 R285 H287 L298 V300 D317P167-F315 CarbonylContact O-C 3.56Å; P167-F315 WeakPolarHBondContact O-CA 3.39Å; P167-F315 WeakPolarHBondContact O-CB 3.35Å; F168-F315 HydrophobicContact CD1-CB 3.7Å; F168-F315 HydrophobicContact CE1-CB 3.81Å; F168-F315 HydrophobicContact CE1-CG 4.5Å; R285-F315 HydrophobicContact CB-CD1 4.4Å; R285-F315 HydrophobicContact CB-CD2 4.39Å; R285-F315 HydrophobicContact CB-CE1 4.01Å; R285-F315 HydrophobicContact CB-CE2 4.01Å; R285-F315 HydrophobicContact CB-CZ 3.81Å; R285-F315 VanDerWaalsContact CD-CZ 3.42Å; R285-F315 HydrophobicContact CG-CE1 3.72Å; R285-F315 HydrophobicContact CG-CE2 4.15Å; R285-F315 HydrophobicContact CG-CZ 3.5Å; R285-F315 VanDerWaalsContact CG-CZ 3.5Å; R285-F315 PolarHBondContact N-O 3.25Å; R285-F315 WeakPolarHBondContact O-CD1 3.26Å; R285-F315 PolarHBondContact O-N 2.8Å; H287-F315 AromaticContact CD2-CE1 3.89Å; H287-F315 AromaticContact CE1-CE1 3.78Å; H287-F315 AromaticContact CE1-CZ 3.74Å; H287-F315 AromaticContact CG-CE1 3.94Å; H287-F315 AromaticContact ND1-CE1 3.88Å; H287-F315 AromaticContact NE2-CE1 3.81Å; H287-F315 AromaticContact NE2-CZ 3.74Å; L298-F315 HydrophobicContact CD2-CD1 3.72Å; L298-F315 HydrophobicContact CD2-CD2 4.33Å; L298-F315 HydrophobicContact CD2-CE1 3.66Å; L298-F315 HydrophobicContact CD2-CE2 4.26Å; L298-F315 HydrophobicContact CD2-CG 4.06Å; L298-F315 HydrophobicContact CD2-CZ 3.93Å; V300-F315 HydrophobicContact CG1-CD2 4.4Å; V300-F315 HydrophobicContact CG2-CB 4.1Å; V300-F315 HydrophobicContact CG2-CD2 3.75Å; V300-F315 HydrophobicContact CG2-CE2 4.41Å; V300-F315 HydrophobicContact CG2-CG 4.08Å; F315-D317 HydrophobicContact CD2-CB 4.09Å; F315-D317 HydrophobicContact CE2-CB 3.74Å
316D98.3Very high97.9Very high1 Ų134.8 Ų34.81%0.00519%0.194CC..  trans-89.1104172-179.1-7.1000109Q153 A166 P167 F169 L284 S318 F319Q153-D316 PolarHBondContact NE2-OD2 3.15Å; A166-D316 WeakPolarHBondContact O-CB 3.39Å; P167-D316 PolarHBondContact O-N 3.28Å; F169-D316 HydrophobicContact CE2-CB 4.03Å; L284-D316 HydrophobicContact CD2-CB 4.06Å; D316-S318 PolarHBondContact O-N 2.96Å; D316-S318 WeakPolarHBondContact OD1-CA 3.23Å; D316-S318 WeakPolarHBondContact OD1-CB 3.3Å; D316-S318 PolarHBondContact OD1-N 2.98Å; D316-S318 PolarHBondContact OD1-OG 3.3Å; D316-S318 PolarHBondContact OD2-OG 3.03Å; D316-S318 VanDerWaalsContact OD2-OG 3.09Å; D316-F319 HydrophobicContact CB-CD2 3.86Å; D316-F319 HydrophobicContact CB-CE2 4.16Å; D316-F319 PolarHBondContact O-N 2.77Å
317D97.8Very high97.7Very high2 Ų231.5 Ų31.51%0.01117%0.173CC..THydrogen-bonded Turntrans-72.7-3.7-178.485.6-53.5000113G278 R283 R285 F315 F319 H321G278-D317 WeakPolarHBondContact CA-O 3.43Å; G278-D317 VanDerWaalsContact CA-OD2 3.31Å; G278-D317 WeakPolarHBondContact CA-OD2 3.34Å; G278-D317 PolarHBondContact N-O 2.61Å; R283-D317 IonicContact CZ-OD1 2.71Å; R283-D317 IonicContact CZ-OD2 3.59Å; R283-D317 IonicContact NE-OD1 2.92Å; R283-D317 PolarHBondContact NE-OD1 2.84Å; R283-D317 IonicContact NE-OD2 3.73Å; R283-D317 IonicContact NH2-OD1 3.74Å; R283-D317 PolarHBondContact NH2-OD1 3.33Å; R283-D317 IonicContact NH2-OD2 3.6Å; R283-D317 PolarHBondContact NH2-OD2 2.82Å; R285-D317 HydrophobicContact CB-CB 4.26Å; R285-D317 IonicContact CZ-OD2 3.28Å; R285-D317 IonicContact NE-OD2 2.85Å; R285-D317 IonicContact NH1-OD2 3.8Å; R285-D317 PolarHBondContact NH1-OD2 2.86Å; R285-D317 IonicContact NH2-OD2 3.14Å; F315-D317 HydrophobicContact CD2-CB 4.09Å; F315-D317 HydrophobicContact CE2-CB 3.74Å; D317-F319 PolarHBondContact O-N 3.29Å; D317-H321 PolarHBondContact O-CE1 3.35Å; D317-H321 PolarHBondContact O-ND1 3.34Å
318S96.8Very high97.5Very high0 Ų036.3 Ų36.30%020%0.2CC..THydrogen-bonded Turntrans-73.7-11.6168.773.70000113.8Q153 R154 Y277 N281 D316Q153-S318 CarbonylContact C-O 3.51Å; Q153-S318 WeakPolarHBondContact CA-O 3.47Å; Q153-S318 VanDerWaalsContact CG-OG 3.26Å; Q153-S318 WeakPolarHBondContact CG-OG 3.39Å; Q153-S318 PolarHBondContact NE2-OG 3.31Å; R154-S318 PolarHBondContact N-O 3.28Å; Y277-S318 WeakPolarHBondContact CD1-O 3.45Å; N281-S318 WeakPolarHBondContact CB-OG 3.35Å; D316-S318 PolarHBondContact O-N 2.96Å; D316-S318 WeakPolarHBondContact OD1-CA 3.23Å; D316-S318 WeakPolarHBondContact OD1-CB 3.3Å; D316-S318 PolarHBondContact OD1-N 2.98Å; D316-S318 PolarHBondContact OD1-OG 3.3Å; D316-S318 PolarHBondContact OD2-OG 3.03Å; D316-S318 VanDerWaalsContact OD2-OG 3.09Å
319F97.2Very high97.2Very high13 Ų1338.4 Ų38.46%0.05721%0.211CC..BIsolated β-bridgetrans-76.3153.2164.8-75.7-101.4000111I152 Q153 P167 V300 D316 D317 H321I152-F319 HydrophobicContact CD1-CD1 3.83Å; I152-F319 HydrophobicContact CD1-CE1 3.89Å; I152-F319 HydrophobicContact CG1-CD1 3.8Å; I152-F319 HydrophobicContact CG1-CE1 3.89Å; I152-F319 CarbonylContact O-C 3.52Å; I152-F319 WeakPolarHBondContact O-CA 3.43Å; Q153-F319 HydrophobicContact CB-CD1 3.9Å; Q153-F319 HydrophobicContact CB-CD2 4.12Å; Q153-F319 HydrophobicContact CB-CE1 3.81Å; Q153-F319 HydrophobicContact CB-CE2 4.04Å; Q153-F319 HydrophobicContact CB-CG 4.05Å; Q153-F319 HydrophobicContact CB-CZ 3.88Å; Q153-F319 VanDerWaalsContact CD-CE2 3.43Å; Q153-F319 HydrophobicContact CG-CD1 4.47Å; Q153-F319 HydrophobicContact CG-CD2 3.78Å; Q153-F319 HydrophobicContact CG-CE1 4.42Å; Q153-F319 HydrophobicContact CG-CE2 3.72Å; Q153-F319 HydrophobicContact CG-CG 4.16Å; Q153-F319 HydrophobicContact CG-CZ 4.06Å; P167-F319 HydrophobicContact CG-CD1 4.29Å; P167-F319 HydrophobicContact CG-CE1 4.29Å; V300-F319 HydrophobicContact CG1-CB 3.71Å; D316-F319 HydrophobicContact CB-CD2 3.86Å; D316-F319 HydrophobicContact CB-CE2 4.16Å; D316-F319 PolarHBondContact O-N 2.77Å; D317-F319 PolarHBondContact O-N 3.29Å; F319-H321 PolarHBondContact O-N 3.01Å; F319-H321 VanDerWaalsContact O-N 3.14Å; F319-H321 PolarHBondContact O-ND1 2.95Å
320L96.8Very high97Very high49 Ų4942.2 Ų42.226%0.25723%0.229SC..  trans-57.4121.8172.4-172.172.3000108.2I152 E275 Y277 G301I152-L320 PolarHBondContact O-N 2.9Å; E275-L320 HydrophobicContact CB-CD1 3.87Å; E275-L320 HydrophobicContact CB-CD2 4.44Å; E275-L320 HydrophobicContact CB-CG 4.15Å; Y277-L320 HydrophobicContact CD1-CB 4.33Å; Y277-L320 HydrophobicContact CD1-CD1 4.49Å; Y277-L320 HydrophobicContact CD2-CD1 4.14Å; Y277-L320 VanDerWaalsContact CE1-CA 3.5Å; Y277-L320 HydrophobicContact CE1-CB 3.6Å; Y277-L320 HydrophobicContact CE1-CD1 3.93Å; Y277-L320 HydrophobicContact CE1-CG 4.4Å; Y277-L320 VanDerWaalsContact CE1-N 3.31Å; Y277-L320 HydrophobicContact CE2-CD1 3.47Å; Y277-L320 VanDerWaalsContact CE2-CD1 3.47Å; G301-L320 PolarHBondContact N-O 2.84Å
321H97.9Very high96.8Very high8 Ų844.3 Ų44.34%0.03724%0.236CC..EExtended strand (participates in β ladder)trans-141.5151.3-177.863.2-80.2000112.9E275 H276 V299 V300 D317 F319E275-H321 VanDerWaalsContact CA-O 3.3Å; E275-H321 WeakPolarHBondContact CA-O 3.4Å; H276-H321 AromaticContact CD2-CE1 3.88Å; H276-H321 AromaticContact CD2-NE2 3.6Å; H276-H321 AromaticContact CE1-CD2 3.58Å; H276-H321 AromaticContact CE1-NE2 3.41Å; H276-H321 PolarHBondContact CE1-NE2 3.01Å; H276-H321 PolarHBondContact N-O 3.07Å; H276-H321 PolarHBondContact ND1-O 3.1Å; H276-H321 AromaticContact NE2-CD2 3.79Å; H276-H321 AromaticContact NE2-CE1 3.87Å; H276-H321 AromaticContact NE2-NE2 3.11Å; H276-H321 PolarHBondContact NE2-NE2 3.49Å; H276-H321 VanDerWaalsContact NE2-NE2 3.11Å; H276-H321 PolarHBondContact O-N 3.24Å; H276-H321 PolarHBondContact O-ND1 3.5Å; H276-H321 VanDerWaalsContact O-ND1 3.17Å; V299-H321 CarbonylContact O-C 3.5Å; V299-H321 WeakPolarHBondContact O-CA 3.38Å; V299-H321 WeakPolarHBondContact O-CB 3.48Å; V300-H321 HydrophobicContact CB-CB 4.33Å; V300-H321 HydrophobicContact CG1-CB 4.28Å; V300-H321 HydrophobicContact CG2-CB 3.97Å; D317-H321 PolarHBondContact O-CE1 3.35Å; D317-H321 PolarHBondContact O-ND1 3.34Å; F319-H321 PolarHBondContact O-N 3.01Å; F319-H321 VanDerWaalsContact O-N 3.14Å; F319-H321 PolarHBondContact O-ND1 2.95Å
322R97.9Very high96.6Very high91 Ų9142.9 Ų42.934%0.34323%0.229SC..EExtended strand (participates in β ladder)trans-142.4157175.563.7179-169.1-156.69109.6I273 E275 V299I273-R322 WeakPolarHBondContact O-CB 3.45Å; E275-R322 HydrophobicContact CG-CB 3.84Å; E275-R322 HydrophobicContact CG-CG 4.14Å; E275-R322 IonicContact OE1-CZ 3.63Å; E275-R322 IonicContact OE1-NH1 3.33Å; E275-R322 PolarHBondContact OE1-NH1 2.99Å; V299-R322 HydrophobicContact CB-CG 3.92Å; V299-R322 HydrophobicContact CG2-CG 4.31Å; V299-R322 PolarHBondContact N-O 2.82Å; V299-R322 PolarHBondContact O-N 3.49Å
323A98.3Very high96.5Very high7 Ų743.2 Ų43.26%0.05823%0.231CC..EExtended strand (participates in β ladder)trans-140.2144.3174.500000110.1I273 E297 L298 W307I273-A323 HydrophobicContact CB-CB 4.49Å; I273-A323 HydrophobicContact CD1-CB 4.37Å; I273-A323 PolarHBondContact N-O 2.87Å; I273-A323 PolarHBondContact O-N 3.06Å; E297-A323 VanDerWaalsContact O-CA 3.32Å; E297-A323 WeakPolarHBondContact O-CA 3.49Å; L298-A323 HydrophobicContact CD1-CB 3.96Å; W307-A323 HydrophobicContact CH2-CB 4.16Å
324F97.5Very high96.5Very high43 Ų4342.1 Ų42.119%0.18923%0.226CC..EExtended strand (participates in β ladder)trans-144.7162177.661.4-88.9000111.6A271 L272 E297 D326A271-F324 VanDerWaalsContact O-CA 3.3Å; A271-F324 WeakPolarHBondContact O-CA 3.1Å; L272-F324 HydrophobicContact CD1-CB 3.96Å; E297-F324 HydrophobicContact CB-CD1 4.32Å; E297-F324 HydrophobicContact CB-CE1 3.67Å; E297-F324 HydrophobicContact CB-CE2 3.93Å; E297-F324 HydrophobicContact CB-CZ 3.46Å; E297-F324 VanDerWaalsContact CB-CZ 3.46Å; E297-F324 HydrophobicContact CG-CE1 4.04Å; E297-F324 HydrophobicContact CG-CZ 4.01Å; E297-F324 PolarHBondContact N-O 3.35Å; E297-F324 VanDerWaalsContact N-O 3.1Å; E297-F324 PolarHBondContact O-N 2.95Å; E297-F324 WeakPolarHBondContact OE1-CE1 3.23Å; E297-F324 WeakPolarHBondContact OE1-CZ 3.47Å; F324-D326 HydrophobicContact CD2-CB 4.07Å; F324-D326 HydrophobicContact CE2-CB 4.24Å
325H97.9Very high96.5Very high2 Ų242 Ų421%0.00923%0.225CC..EExtended strand (participates in β ladder)trans-129.6103.8171.8-179.1-1.3000107.9L267 T268 P269 G270 A271 P293 S295 G327 G332L267-H325 HydrophobicContact CD2-CB 4.06Å; L267-H325 HydrophobicContact CG-CB 4.36Å; T268-H325 VanDerWaalsContact C-CD2 3.45Å; P269-H325 VanDerWaalsContact N-CD2 3.33Å; G270-H325 CarbonylContact C-O 3.18Å; G270-H325 WeakPolarHBondContact CA-O 3.38Å; G270-H325 PolarHBondContact N-O 3.42Å; A271-H325 PolarHBondContact N-O 2.9Å; A271-H325 PolarHBondContact O-N 3.48Å; P293-H325 WeakPolarHBondContact CG-NE2 3.48Å; S295-H325 CarbonylContact O-C 3.26Å; S295-H325 WeakPolarHBondContact O-CA 3.21Å; H325-G327 VanDerWaalsContact C-N 3.3Å; H325-G327 PolarHBondContact ND1-N 3.02Å; H325-G327 VanDerWaalsContact ND1-N 3.16Å; H325-G327 PolarHBondContact O-N 3.17Å; H325-G332 PolarHBondContact NE2-O 2.87Å
326D95.6Very high96.5Very high116 Ų11641.9 Ų41.962%0.6222%0.224SC*.  trans-97.828.9-177.1-153.431.8000112.1S295 F324S295-D326 PolarHBondContact O-N 3.15Å; F324-D326 HydrophobicContact CD2-CB 4.07Å; F324-D326 HydrophobicContact CE2-CB 4.24Å
327G93Very high96.6Very high11 Ų1141.9 Ų41.911%0.11322%0.224CC..  trans-89.6174.8179.500000112.6P269 H325 D331P269-G327 WeakPolarHBondContact CB-O 3.37Å; H325-G327 VanDerWaalsContact C-N 3.3Å; H325-G327 PolarHBondContact ND1-N 3.02Å; H325-G327 VanDerWaalsContact ND1-N 3.16Å; H325-G327 PolarHBondContact O-N 3.17Å; G327-D331 WeakPolarHBondContact CA-OD2 3.43Å
328N94.1Very high96.6Very high112 Ų11242.1 Ų42.160%0.59923%0.225SC*.  trans-86.2159.4176.6-64.9-48.4000111.1P269 E330 D331P269-N328 WeakPolarHBondContact CB-O 3.34Å; P269-N328 VanDerWaalsContact CG-O 3.28Å; P269-N328 WeakPolarHBondContact CG-O 3.43Å; N328-E330 PolarHBondContact O-N 3.27Å; N328-E330 VanDerWaalsContact O-N 3.08Å; N328-D331 PolarHBondContact N-OD2 3.47Å; N328-D331 WeakPolarHBondContact O-CB 3.35Å; N328-D331 PolarHBondContact O-N 2.9Å
329P92.1Very high96.7Very high116 Ų11642.1 Ų42.175%0.75323%0.225SC*.G310 helixtrans-53.7-30.6176.9-28.436.4000114.7D331 G332P329-D331 VanDerWaalsContact C-N 3.31Å; P329-D331 PolarHBondContact O-N 3.24Å; P329-G332 PolarHBondContact O-N 3.07Å
330E94.5Very high96.8Very high191 Ų19141.5 Ų41.589%0.89322%0.223SC*.G310 helixtrans-73.1-20.4-178.7-55.8-165.7-165.200113.6N328 G332N328-E330 PolarHBondContact O-N 3.27Å; N328-E330 VanDerWaalsContact O-N 3.08Å; E330-G332 PolarHBondContact O-N 2.78Å
331D93.6Very high96.9Very high64 Ų6439.2 Ų39.234%0.34221%0.211SC..G310 helixtrans-70.2-18.9178.4-61.5-37.7000111.9P293 G327 N328 P329P293-D331 HydrophobicContact CB-CB 3.95Å; P293-D331 WeakPolarHBondContact CB-O 3.29Å; G327-D331 WeakPolarHBondContact CA-OD2 3.43Å; N328-D331 PolarHBondContact N-OD2 3.47Å; N328-D331 WeakPolarHBondContact O-CB 3.35Å; N328-D331 PolarHBondContact O-N 2.9Å; P329-D331 VanDerWaalsContact C-N 3.31Å; P329-D331 PolarHBondContact O-N 3.24Å
332G94.9Very high96.9Very high23 Ų2339.3 Ų39.324%0.23721%0.211CC..  trans73.1-178.1-175.400000113P269 H325 P329 E330P269-G332 WeakPolarHBondContact CD-O 3.38Å; P269-G332 VanDerWaalsContact CG-O 3.24Å; P269-G332 WeakPolarHBondContact CG-O 3.29Å; H325-G332 PolarHBondContact NE2-O 2.87Å; P329-G332 PolarHBondContact O-N 3.07Å; E330-G332 PolarHBondContact O-N 2.78Å
333P96.9Very high96.9Very high26 Ų2635 Ų3517%0.16919%0.194CC..  trans-84.4152-17433.8-35.6000113.2V266 L267 V335V266-P333 HydrophobicContact CG1-CB 3.72Å; V266-P333 HydrophobicContact CG1-CG 4.29Å; L267-P333 WeakPolarHBondContact O-CA 3.37Å; P333-V335 HydrophobicContact CG-CG2 4.37Å
334R98.4Very high96.8Very high4 Ų436.5 Ų36.52%0.01520%0.203CC..EExtended strand (participates in β ladder)trans-82.1128.8165.9-174.9-100.9-69.9169.5-5.8110.7V266 L267 R291 P293 C296 W307V266-R334 WeakPolarHBondContact CA-O 3.47Å; L267-R334 PolarHBondContact N-O 3.03Å; L267-R334 PolarHBondContact O-N 3.34Å; R291-R334 WeakPolarHBondContact O-CA 3.44Å; P293-R334 HydrophobicContact CG-CB 4.18Å; C296-R334 HydrophobicContact CB-CG 4.19Å; C296-R334 VanDerWaalsContact SG-CB 3.57Å; W307-R334 HydrophobicContact CE3-CG 4.42Å
335V98.7Very high96.8Very high0 Ų038.1 Ų38.10%021%0.214CC..EExtended strand (participates in β ladder)trans-126.3127.2-176.3-1710000109.8F192 S265 V266 L290 R291 P333F192-V335 HydrophobicContact CD1-CG1 4.06Å; F192-V335 HydrophobicContact CD2-CG1 3.73Å; F192-V335 HydrophobicContact CE1-CB 4.33Å; F192-V335 HydrophobicContact CE1-CG1 3.9Å; F192-V335 HydrophobicContact CE1-CG2 3.84Å; F192-V335 HydrophobicContact CE2-CB 4.5Å; F192-V335 HydrophobicContact CE2-CG1 3.53Å; F192-V335 HydrophobicContact CE2-CG2 4.14Å; F192-V335 HydrophobicContact CG-CG1 4Å; F192-V335 HydrophobicContact CZ-CB 4.17Å; F192-V335 HydrophobicContact CZ-CG1 3.63Å; F192-V335 HydrophobicContact CZ-CG2 3.49Å; F192-V335 VanDerWaalsContact CZ-CG2 3.49Å; S265-V335 WeakPolarHBondContact O-CA 3.5Å; V266-V335 HydrophobicContact CG2-CG1 4.31Å; V266-V335 HydrophobicContact CG2-CG2 4.26Å; L290-V335 HydrophobicContact CB-CB 4.23Å; L290-V335 HydrophobicContact CB-CG1 4.03Å; L290-V335 HydrophobicContact CD1-CG1 4.14Å; L290-V335 PolarHBondContact N-O 3.06Å; R291-V335 HydrophobicContact CB-CB 3.96Å; R291-V335 HydrophobicContact CB-CG2 3.95Å; R291-V335 HydrophobicContact CG-CG2 4.45Å; R291-V335 PolarHBondContact N-O 2.92Å; R291-V335 VanDerWaalsContact N-O 3.08Å; R291-V335 PolarHBondContact O-N 3.01Å; P333-V335 HydrophobicContact CG-CG2 4.37Å
336V98.9Very high96.7Very high0 Ų038.1 Ų38.10%021%0.214CC..EExtended strand (participates in β ladder)trans-127.6148172.4-58.90000110.5S265 H287 L288 W307S265-V336 PolarHBondContact N-O 2.7Å; S265-V336 PolarHBondContact O-N 2.94Å; H287-V336 HydrophobicContact CB-CB 4.19Å; H287-V336 HydrophobicContact CB-CG1 4.31Å; H287-V336 HydrophobicContact CB-CG2 4.44Å; L288-V336 CarbonylContact O-C 3.51Å; L288-V336 VanDerWaalsContact O-CA 3.23Å; L288-V336 WeakPolarHBondContact O-CA 3.26Å; L288-V336 WeakPolarHBondContact O-CB 3.17Å; W307-V336 HydrophobicContact CD2-CG1 4.43Å; W307-V336 HydrophobicContact CG-CG1 4.13Å
337F98.9Very high96.7Very high1 Ų134.8 Ų34.80%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-91.4112.9160.8-170.4-117000108.4L181 L188 L226 A243 L247 F264 L288 L290 V339L181-F337 HydrophobicContact CD2-CD1 4.07Å; L181-F337 HydrophobicContact CD2-CE1 4.11Å; L188-F337 HydrophobicContact CD1-CD1 3.84Å; L188-F337 HydrophobicContact CD1-CE1 4.27Å; L188-F337 HydrophobicContact CD1-CG 4.33Å; L188-F337 HydrophobicContact CD2-CD1 4.34Å; L188-F337 HydrophobicContact CD2-CE1 4.18Å; L188-F337 HydrophobicContact CD2-CZ 4.3Å; L226-F337 HydrophobicContact CD1-CE2 3.93Å; L226-F337 HydrophobicContact CD1-CZ 4.11Å; A243-F337 HydrophobicContact CB-CE2 4.44Å; A243-F337 HydrophobicContact CB-CZ 4.31Å; L247-F337 HydrophobicContact CD1-CZ 4.43Å; L247-F337 HydrophobicContact CD2-CE1 4.11Å; L247-F337 HydrophobicContact CD2-CZ 4.04Å; L247-F337 HydrophobicContact CG-CZ 4.28Å; F264-F337 HydrophobicContact CD1-CB 4.44Å; F264-F337 AromaticContact CD1-CD2 3.68Å; F264-F337 HydrophobicContact CD1-CD2 3.68Å; F264-F337 HydrophobicContact CD1-CE2 4.48Å; F264-F337 HydrophobicContact CD2-CD2 4.44Å; F264-F337 AromaticContact CE1-CD2 3.59Å; F264-F337 HydrophobicContact CE1-CD2 3.59Å; F264-F337 HydrophobicContact CE1-CE2 4.18Å; F264-F337 HydrophobicContact CE1-CG 4.35Å; F264-F337 HydrophobicContact CE2-CD2 4.36Å; F264-F337 HydrophobicContact CE2-CE2 4.25Å; F264-F337 HydrophobicContact CG-CD2 4.13Å; F264-F337 AromaticContact CZ-CD2 3.96Å; F264-F337 HydrophobicContact CZ-CD2 3.96Å; F264-F337 HydrophobicContact CZ-CE2 4.07Å; L288-F337 HydrophobicContact CB-CB 4.32Å; L288-F337 PolarHBondContact N-O 3.09Å; L288-F337 PolarHBondContact O-N 3.25Å; L290-F337 HydrophobicContact CD1-CB 4.07Å; L290-F337 HydrophobicContact CG-CB 4.27Å; F337-V339 HydrophobicContact CD1-CG2 3.75Å; F337-V339 HydrophobicContact CE1-CG2 3.44Å; F337-V339 VanDerWaalsContact CE1-CG2 3.44Å; F337-V339 HydrophobicContact CZ-CG2 4.17Å
338M98.8Very high96.8Very high8 Ų838 Ų384%0.03923%0.228CC..EExtended strand (participates in β ladder)trans-98.8129-176.7179.5-173.389.100109.7N261 A262 C263 R285 C286N261-M338 HydrophobicContact CB-CE 3.98Å; A262-M338 CarbonylContact C-O 3.32Å; A262-M338 VanDerWaalsContact CA-O 3.25Å; A262-M338 WeakPolarHBondContact CA-O 3.49Å; C263-M338 PolarHBondContact N-O 3.16Å; C263-M338 PolarHBondContact O-N 3.11Å; C263-M338 VanDerWaalsContact SG-CE 3.52Å; R285-M338 HydrophobicContact CG-CG 3.97Å; R285-M338 HydrophobicContact CG-SD 4.38Å; R285-M338 PolarHBondContact NE-SD 3.42Å; C286-M338 WeakPolarHBondContact O-CA 3.41Å
339V98.8Very high96.8Very high0 Ų034.4 Ų34.40%021%0.214CC..EExtended strand (participates in β ladder)trans-134.2132.3174.6-172.70000109.5L181 L247 L250 F253 C286 F337 L341L181-V339 HydrophobicContact CD2-CG2 4.33Å; L247-V339 HydrophobicContact CD2-CG1 4.02Å; L247-V339 HydrophobicContact CD2-CG2 3.86Å; L250-V339 HydrophobicContact CD1-CG1 3.87Å; F253-V339 HydrophobicContact CD2-CG1 3.39Å; F253-V339 HydrophobicContact CE2-CG1 3.85Å; F253-V339 HydrophobicContact CG-CG1 4.23Å; C286-V339 PolarHBondContact N-O 2.91Å; C286-V339 PolarHBondContact O-N 3.4Å; F337-V339 HydrophobicContact CD1-CG2 3.75Å; F337-V339 HydrophobicContact CE1-CG2 3.44Å; F337-V339 VanDerWaalsContact CE1-CG2 3.44Å; F337-V339 HydrophobicContact CZ-CG2 4.17Å; V339-L341 HydrophobicContact CG1-CD2 3.85Å
340D98.8Very high97Very high0 Ų029.1 Ų29.10%018%0.179CC..EExtended strand (participates in β ladder)trans-92.3119.9174.5-64.7-38.8000110.1F253 I254 N261 R283 R285F253-D340 WeakPolarHBondContact CD2-O 3.4Å; I254-D340 PolarHBondContact N-O 3.11Å; I254-D340 VanDerWaalsContact N-O 3.16Å; N261-D340 VanDerWaalsContact CB-OD2 3.31Å; N261-D340 WeakPolarHBondContact CB-OD2 3.31Å; N261-D340 PolarHBondContact N-OD2 2.82Å; N261-D340 PolarHBondContact ND2-OD2 3.49Å; N261-D340 PolarHBondContact O-N 3.06Å; R283-D340 IonicContact CZ-OD1 2.93Å; R283-D340 IonicContact CZ-OD2 3.52Å; R283-D340 IonicContact NH1-OD1 3.49Å; R283-D340 IonicContact NH1-OD2 2.66Å; R283-D340 PolarHBondContact NH1-OD2 2.93Å; R283-D340 IonicContact NH2-OD1 2.66Å; R283-D340 IonicContact NH2-OD2 3.23Å; R285-D340 IonicContact CZ-OD1 3.43Å; R285-D340 IonicContact NE-OD1 3.87Å; R285-D340 PolarHBondContact NE-OD1 3.39Å; R285-D340 IonicContact NH2-OD1 3.82Å; R285-D340 PolarHBondContact NH2-OD1 3Å; R285-D340 IonicContact NH2-OD2 3.63Å; R285-D340 PolarHBondContact NH2-OD2 2.6Å
341L98.6Very high97.1Very high0 Ų022.7 Ų22.70%015%0.147CC..EExtended strand (participates in β ladder)trans-111.4147.2-175.6-59.3-178.8000110.4Q174 D177 L250 T252 F253 R283 L284 C286 V339 H343Q174-L341 HydrophobicContact CG-CD1 4.36Å; D177-L341 HydrophobicContact CB-CD1 4.18Å; L250-L341 HydrophobicContact CD1-CD2 4.39Å; T252-L341 CarbonylContact O-C 3.53Å; T252-L341 WeakPolarHBondContact O-CA 3.22Å; F253-L341 HydrophobicContact CB-CD2 4.29Å; R283-L341 CarbonylContact C-O 3.55Å; R283-L341 WeakPolarHBondContact CA-O 3.48Å; R283-L341 WeakPolarHBondContact CB-O 3.41Å; L284-L341 PolarHBondContact N-O 3.11Å; L284-L341 PolarHBondContact O-N 3.34Å; C286-L341 HydrophobicContact CB-CD1 3.95Å; C286-L341 HydrophobicContact CB-CG 4.32Å; V339-L341 HydrophobicContact CG1-CD2 3.85Å; L341-H343 PolarHBondContact O-N 2.85Å
342W98.4Very high97.1Very high10 Ų1024.4 Ų24.44%0.03815%0.153CC..EExtended strand (participates in β ladder)trans-57.6134.4171.7-77.3110.7000110.6Q174 T252 I254 V282 V346 R351 L354 D355Q174-W342 PolarHBondContact NE2-O 3.24Å; T252-W342 VanDerWaalsContact O-CD1 3.31Å; T252-W342 PolarHBondContact O-N 3.13Å; I254-W342 HydrophobicContact CD1-CD2 3.91Å; I254-W342 HydrophobicContact CD1-CE3 4.07Å; I254-W342 HydrophobicContact CD1-CG 4.25Å; I254-W342 HydrophobicContact CD1-CZ3 4.45Å; I254-W342 HydrophobicContact CG1-CD2 3.84Å; I254-W342 HydrophobicContact CG1-CE3 4.5Å; I254-W342 HydrophobicContact CG1-CG 3.85Å; I254-W342 HydrophobicContact CG1-CZ2 4.43Å; I254-W342 HydrophobicContact CG2-CZ2 4.29Å; V282-W342 HydrophobicContact CB-CE3 4.4Å; V282-W342 HydrophobicContact CB-CZ3 4Å; V282-W342 HydrophobicContact CG2-CE3 4.3Å; V282-W342 HydrophobicContact CG2-CZ3 3.63Å; W342-V346 HydrophobicContact CE3-CB 4.49Å; W342-V346 HydrophobicContact CE3-CG1 4.17Å; W342-V346 HydrophobicContact CZ3-CG1 4.39Å; W342-R351 HydrophobicContact CD2-CB 4.29Å; W342-R351 HydrophobicContact CD2-CG 3.74Å; W342-R351 HydrophobicContact CE3-CG 4.04Å; W342-R351 HydrophobicContact CG-CG 4.01Å; W342-R351 HydrophobicContact CZ2-CB 4.15Å; W342-R351 HydrophobicContact CZ2-CG 4.47Å; W342-L354 HydrophobicContact CH2-CB 3.69Å; W342-L354 HydrophobicContact CH2-CD1 4.12Å; W342-L354 HydrophobicContact CZ3-CB 4.24Å; W342-L354 HydrophobicContact CZ3-CD1 3.78Å; W342-D355 WeakPolarHBondContact CZ2-OD1 3.22Å
343H98.1Very high97.1Very high1 Ų123.3 Ų23.31%0.00514%0.142CC..  trans-58.9133.1172.6-176.6-73.2000109.4P164 F169 V282 L341 N345 V346P164-H343 PolarHBondContact O-CE1 3.32Å; P164-H343 VanDerWaalsContact O-CE1 3.28Å; P164-H343 PolarHBondContact O-NE2 3.05Å; P164-H343 VanDerWaalsContact O-NE2 3.11Å; F169-H343 AromaticContact CE1-NE2 3.76Å; F169-H343 AromaticContact CZ-NE2 3.39Å; F169-H343 WeakPolarHBondContact CZ-NE2 3.41Å; V282-H343 VanDerWaalsContact O-CB 3.3Å; V282-H343 WeakPolarHBondContact O-CB 3.33Å; V282-H343 PolarHBondContact O-N 3.39Å; L341-H343 PolarHBondContact O-N 2.85Å; H343-N345 PolarHBondContact ND1-N 3.31Å; H343-N345 PolarHBondContact O-N 2.95Å; H343-N345 VanDerWaalsContact O-N 3.1Å; H343-V346 HydrophobicContact CB-CG2 3.83Å; H343-V346 WeakPolarHBondContact O-CB 3.43Å; H343-V346 PolarHBondContact O-N 3.23Å
344P96.6Very high97Very high38 Ų3822 Ų2225%0.24713%0.134CC..THydrogen-bonded Turntrans-59.4-32.4-16921.9-34.3000112.6V173 L284 V346V173-P344 HydrophobicContact CB-CG 4.2Å; V173-P344 HydrophobicContact CG2-CG 4.15Å; L284-P344 HydrophobicContact CD1-CG 4.42Å; P344-V346 VanDerWaalsContact C-N 3.32Å; P344-V346 PolarHBondContact O-N 2.94Å
345N96.9Very high96.8Very high78 Ų7824.1 Ų24.142%0.41715%0.145SC..THydrogen-bonded Turntrans-84.98.5177.9-64.1-52.4000114.9R134 L163 P164 H343R134-N345 PolarHBondContact NH1-O 2.97Å; R134-N345 PolarHBondContact NH2-O 3.1Å; L163-N345 HydrophobicContact CD2-CB 3.93Å; L163-N345 WeakPolarHBondContact CD2-O 3.1Å; P164-N345 HydrophobicContact CG-CB 4.48Å; H343-N345 PolarHBondContact ND1-N 3.31Å; H343-N345 PolarHBondContact O-N 2.95Å; H343-N345 VanDerWaalsContact O-N 3.1Å
346V97.1Very high96.5Very high1 Ų125.4 Ų25.41%0.00615%0.15CC..SBendtrans-86.2117.6168-179.10000107.7L160 L163 V282 W342 H343 P344 E350 R351 L354L160-V346 HydrophobicContact CD2-CG1 4.44Å; L160-V346 HydrophobicContact CD2-CG2 4.07Å; L163-V346 HydrophobicContact CD1-CG2 3.97Å; L163-V346 HydrophobicContact CD2-CG2 3.9Å; V282-V346 HydrophobicContact CB-CG2 4.09Å; W342-V346 HydrophobicContact CE3-CB 4.49Å; W342-V346 HydrophobicContact CE3-CG1 4.17Å; W342-V346 HydrophobicContact CZ3-CG1 4.39Å; H343-V346 HydrophobicContact CB-CG2 3.83Å; H343-V346 WeakPolarHBondContact O-CB 3.43Å; H343-V346 PolarHBondContact O-N 3.23Å; P344-V346 VanDerWaalsContact C-N 3.32Å; P344-V346 PolarHBondContact O-N 2.94Å; V346-E350 HydrophobicContact CG1-CB 3.89Å; V346-R351 HydrophobicContact CB-CG 4.34Å; V346-R351 HydrophobicContact CG1-CG 3.67Å; V346-R351 PolarHBondContact O-NE 2.98Å; V346-R351 PolarHBondContact O-NH2 3.48Å; V346-L354 HydrophobicContact CG1-CD1 4.13Å
347A95.7Very high96.1Very high47 Ų4725.4 Ų25.439%0.38815%0.15SC..  trans-69.2152.1-175.800000111.1A349 E350 R351A347-A349 VanDerWaalsContact C-N 3.27Å; A347-A349 PolarHBondContact O-N 3.47Å; A347-E350 HydrophobicContact CB-CG 4.16Å; A347-E350 WeakPolarHBondContact CB-OE2 2.98Å; A347-E350 PolarHBondContact N-OE2 3.38Å; A347-E350 WeakPolarHBondContact O-CA 3.26Å; A347-E350 WeakPolarHBondContact O-CB 3.46Å; A347-E350 PolarHBondContact O-N 2.94Å; A347-R351 WeakPolarHBondContact O-CG 3.48Å; A347-R351 PolarHBondContact O-N 3.34Å
348A94.6Very high95.8Very high78 Ų7825.4 Ų25.465%0.64515%0.15SC*.Hα-helixtrans-55.2-41.1-177.300000113.2E350 R351 Q352A348-E350 VanDerWaalsContact C-N 3.31Å; A348-E350 PolarHBondContact O-N 2.94Å; A348-R351 PolarHBondContact O-N 3.43Å; A348-Q352 PolarHBondContact O-N 2.93Å
349A94.4Very high95.5Very high36 Ų3627.7 Ų27.730%0.29817%0.165SC..Hα-helixtrans-63.4-38.3176.600000111.7M132 A347 Q352 A353M132-A349 HydrophobicContact CE-CB 3.32Å; M132-A349 WeakPolarHBondContact CE-O 3.44Å; A347-A349 VanDerWaalsContact C-N 3.27Å; A347-A349 PolarHBondContact O-N 3.47Å; A349-Q352 PolarHBondContact O-N 2.94Å; A349-A353 PolarHBondContact O-N 3.02Å; A349-A353 VanDerWaalsContact O-N 3.14Å
350E96.1Very high94.8Very high5 Ų529 Ų292%0.02317%0.173CC..Hα-helixtrans-69.3-39.7176.9-61171.2141.400110.9M132 R134 V135 V346 A347 A348 Q352 A353 L354M132-E350 HydrophobicContact CE-CG 4.32Å; R134-E350 WeakPolarHBondContact CB-OE1 3.44Å; R134-E350 IonicContact CZ-OE1 3.63Å; R134-E350 IonicContact CZ-OE2 3.46Å; R134-E350 IonicContact NE-OE1 2.7Å; R134-E350 PolarHBondContact NE-OE1 2.92Å; R134-E350 IonicContact NE-OE2 2.81Å; R134-E350 VanDerWaalsContact NH2-CD 3.34Å; R134-E350 IonicContact NH2-OE1 3.21Å; R134-E350 PolarHBondContact NH2-OE1 3.15Å; R134-E350 IonicContact NH2-OE2 3.94Å; R134-E350 PolarHBondContact NH2-OE2 2.97Å; V135-E350 HydrophobicContact CG2-CB 3.84Å; V135-E350 HydrophobicContact CG2-CG 3.86Å; V346-E350 HydrophobicContact CG1-CB 3.89Å; A347-E350 HydrophobicContact CB-CG 4.16Å; A347-E350 WeakPolarHBondContact CB-OE2 2.98Å; A347-E350 PolarHBondContact N-OE2 3.38Å; A347-E350 WeakPolarHBondContact O-CA 3.26Å; A347-E350 WeakPolarHBondContact O-CB 3.46Å; A347-E350 PolarHBondContact O-N 2.94Å; A348-E350 VanDerWaalsContact C-N 3.31Å; A348-E350 PolarHBondContact O-N 2.94Å; E350-Q352 VanDerWaalsContact C-N 3.31Å; E350-Q352 PolarHBondContact O-N 3.46Å; E350-A353 PolarHBondContact O-N 3.06Å; E350-L354 WeakPolarHBondContact O-CB 3.37Å; E350-L354 WeakPolarHBondContact O-CG 3.27Å; E350-L354 PolarHBondContact O-N 3.33Å
351R95.9Very high93.4Very high56 Ų5631.2 Ų31.221%0.21120%0.196CC..Hα-helixtrans-57.2-46.4174.1-60.8178.1-163.1-171.90.2110.7W342 V346 A347 A348 A353 L354 D355W342-R351 HydrophobicContact CD2-CB 4.29Å; W342-R351 HydrophobicContact CD2-CG 3.74Å; W342-R351 HydrophobicContact CE3-CG 4.04Å; W342-R351 HydrophobicContact CG-CG 4.01Å; W342-R351 HydrophobicContact CZ2-CB 4.15Å; W342-R351 HydrophobicContact CZ2-CG 4.47Å; V346-R351 HydrophobicContact CB-CG 4.34Å; V346-R351 HydrophobicContact CG1-CG 3.67Å; V346-R351 PolarHBondContact O-NE 2.98Å; V346-R351 PolarHBondContact O-NH2 3.48Å; A347-R351 WeakPolarHBondContact O-CG 3.48Å; A347-R351 PolarHBondContact O-N 3.34Å; A348-R351 PolarHBondContact O-N 3.43Å; R351-A353 PolarHBondContact O-N 2.99Å; R351-L354 PolarHBondContact O-N 3.19Å; R351-D355 WeakPolarHBondContact O-CB 3.42Å; R351-D355 PolarHBondContact O-N 3.39Å
352Q94.3Very high91.8Very high100 Ų10033.9 Ų33.947%0.46721%0.206SC..Hα-helixtrans-59.2-45.2177.7-172.5-176.815.700112.3Y123 A348 A349 E350 Y356Y123-Q352 HydrophobicContact CE2-CG 4.14Å; Y123-Q352 WeakPolarHBondContact OH-CG 3.38Å; Y123-Q352 PolarHBondContact OH-OE1 3.43Å; A348-Q352 PolarHBondContact O-N 2.93Å; A349-Q352 PolarHBondContact O-N 2.94Å; E350-Q352 VanDerWaalsContact C-N 3.31Å; E350-Q352 PolarHBondContact O-N 3.46Å; Q352-Y356 PolarHBondContact O-N 2.98Å; Q352-Y356 VanDerWaalsContact O-N 3.11Å
353A94.4Very high89.3Confident0 Ų040 Ų400%024%0.238CC..Hα-helixtrans-66.2-43177.200000112.2Y123 M132 A349 E350 R351 Y356 I357Y123-A353 HydrophobicContact CD1-CB 3.88Å; Y123-A353 HydrophobicContact CD2-CB 4.44Å; Y123-A353 HydrophobicContact CE1-CB 3.58Å; Y123-A353 HydrophobicContact CE2-CB 4.18Å; Y123-A353 HydrophobicContact CG-CB 4.29Å; M132-A353 HydrophobicContact SD-CB 3.36Å; M132-A353 WeakPolarHBondContact SD-CB 3.48Å; A349-A353 PolarHBondContact O-N 3.02Å; A349-A353 VanDerWaalsContact O-N 3.14Å; E350-A353 PolarHBondContact O-N 3.06Å; R351-A353 PolarHBondContact O-N 2.99Å; A353-Y356 PolarHBondContact O-N 3.32Å; A353-I357 WeakPolarHBondContact O-CB 3.39Å; A353-I357 WeakPolarHBondContact O-CD1 3.47Å; A353-I357 VanDerWaalsContact O-CG1 3.23Å; A353-I357 WeakPolarHBondContact O-CG1 3.28Å; A353-I357 PolarHBondContact O-N 3.07Å
354L95.1Very high86.9Confident0 Ų044.5 Ų44.50%026%0.26CS..Hα-helixtrans-66.2-38178.5-68.5169.4000111.5V135 F158 N257 V282 W342 V346 E350 R351 Y356 I357 F358V135-L354 HydrophobicContact CG1-CD2 4.43Å; V135-L354 HydrophobicContact CG2-CD2 4.49Å; V135-L354 HydrophobicContact CG2-CG 4.39Å; F158-L354 HydrophobicContact CD1-CD2 4.14Å; F158-L354 HydrophobicContact CE1-CD2 3.56Å; F158-L354 HydrophobicContact CZ-CD2 4.02Å; N257-L354 PolarHBondContact ND2-O 2.98Å; N257-L354 VanDerWaalsContact ND2-O 3.12Å; V282-L354 HydrophobicContact CB-CD1 4.24Å; V282-L354 HydrophobicContact CG1-CD1 3.97Å; V282-L354 HydrophobicContact CG2-CD1 4.38Å; W342-L354 HydrophobicContact CH2-CB 3.69Å; W342-L354 HydrophobicContact CH2-CD1 4.12Å; W342-L354 HydrophobicContact CZ3-CB 4.24Å; W342-L354 HydrophobicContact CZ3-CD1 3.78Å; V346-L354 HydrophobicContact CG1-CD1 4.13Å; E350-L354 WeakPolarHBondContact O-CB 3.37Å; E350-L354 WeakPolarHBondContact O-CG 3.27Å; E350-L354 PolarHBondContact O-N 3.33Å; R351-L354 PolarHBondContact O-N 3.19Å; L354-Y356 VanDerWaalsContact C-N 3.32Å; L354-Y356 PolarHBondContact O-N 2.95Å; L354-I357 PolarHBondContact O-N 2.98Å; L354-F358 HydrophobicContact CB-CD2 4.39Å; L354-F358 HydrophobicContact CD2-CD2 3.97Å; L354-F358 HydrophobicContact CD2-CE2 3.67Å; L354-F358 VanDerWaalsContact O-CB 3.27Å; L354-F358 WeakPolarHBondContact O-CB 3.37Å; L354-F358 WeakPolarHBondContact O-CD2 3.28Å; L354-F358 PolarHBondContact O-N 3.08Å
355D94.3Very high84.3Confident48 Ų4849.1 Ų49.126%0.25728%0.282SS..Hα-helixtrans-61.7-40.2172.4-81.6-24.5000112N257 W342 R351 T359N257-D355 WeakPolarHBondContact CB-OD1 3.22Å; N257-D355 WeakPolarHBondContact ND2-CA 3.41Å; N257-D355 PolarHBondContact ND2-OD1 3.17Å; W342-D355 WeakPolarHBondContact CZ2-OD1 3.22Å; R351-D355 WeakPolarHBondContact O-CB 3.42Å; R351-D355 PolarHBondContact O-N 3.39Å; D355-T359 WeakPolarHBondContact O-CA 3.39Å; D355-T359 PolarHBondContact O-N 2.59Å; D355-T359 PolarHBondContact O-OG1 3.27Å
356Y92.3Very high81.6Confident26 Ų2656.6 Ų56.610%0.10230%0.304CS..Hα-helixtrans-69.5-42.9176.4-178.3-91.5000113.4E122 Y123 R126 Y127 Q352 A353 L354 T359 R362E122-Y356 HydrophobicContact CB-CE1 4.23Å; Y123-Y356 AromaticContact CD2-CD1 3.77Å; Y123-Y356 HydrophobicContact CD2-CD1 3.77Å; Y123-Y356 HydrophobicContact CD2-CD2 4.3Å; Y123-Y356 HydrophobicContact CD2-CE1 4.47Å; Y123-Y356 AromaticContact CD2-CG 3.64Å; Y123-Y356 HydrophobicContact CD2-CG 3.64Å; Y123-Y356 HydrophobicContact CG-CD1 4.12Å; Y123-Y356 HydrophobicContact CG-CG 4.44Å; R126-Y356 WeakPolarHBondContact CD-OH 3.27Å; R126-Y356 VanDerWaalsContact CZ-OH 3.22Å; R126-Y356 PolarHBondContact NE-OH 2.79Å; R126-Y356 PolarHBondContact NH1-OH 2.74Å; Y127-Y356 HydrophobicContact CE2-CD2 4.15Å; Y127-Y356 HydrophobicContact CE2-CE2 4.28Å; Q352-Y356 PolarHBondContact O-N 2.98Å; Q352-Y356 VanDerWaalsContact O-N 3.11Å; A353-Y356 PolarHBondContact O-N 3.32Å; L354-Y356 VanDerWaalsContact C-N 3.32Å; L354-Y356 PolarHBondContact O-N 2.95Å; Y356-T359 PolarHBondContact O-OG1 3.19Å; Y356-T359 VanDerWaalsContact O-OG1 3.13Å; Y356-R362 PolarHBondContact O-NH1 3.28Å; Y356-R362 PolarHBondContact OH-NH2 3.06Å
357I91.3Very high78.8Confident1 Ų165.3 Ų65.31%0.00535%0.345CS..Hα-helixtrans-69-44.8-179.1-68.6163.8000109.8F103 L116 L120 V135 A353 L354F103-I357 WeakPolarHBondContact CE2-O 3.44Å; L116-I357 HydrophobicContact CD2-CG2 3.74Å; L120-I357 HydrophobicContact CB-CD1 4.09Å; L120-I357 HydrophobicContact CD1-CD1 4.05Å; V135-I357 HydrophobicContact CG1-CD1 4.15Å; A353-I357 WeakPolarHBondContact O-CB 3.39Å; A353-I357 WeakPolarHBondContact O-CD1 3.47Å; A353-I357 VanDerWaalsContact O-CG1 3.23Å; A353-I357 WeakPolarHBondContact O-CG1 3.28Å; A353-I357 PolarHBondContact O-N 3.07Å; L354-I357 PolarHBondContact O-N 2.98Å
358F92.3Very high76.2Confident0 Ų066.7 Ų66.70%036%0.364CS..THydrogen-bonded Turntrans-102.830-174.5-63-74.8000112.7F103 L116 V157 F158 N257 V258 F259 L354F103-F358 HydrophobicContact CB-CD1 3.81Å; F103-F358 HydrophobicContact CB-CE1 3.8Å; F103-F358 HydrophobicContact CD1-CE1 4.26Å; F103-F358 AromaticContact CD2-CD1 3.86Å; F103-F358 HydrophobicContact CD2-CD1 3.86Å; F103-F358 HydrophobicContact CD2-CE1 4.2Å; F103-F358 AromaticContact CG-CD1 3.88Å; F103-F358 HydrophobicContact CG-CD1 3.88Å; F103-F358 AromaticContact CG-CE1 3.83Å; F103-F358 HydrophobicContact CG-CE1 3.83Å; L116-F358 HydrophobicContact CD2-CE1 3.58Å; L116-F358 HydrophobicContact CD2-CE2 4.34Å; L116-F358 HydrophobicContact CD2-CZ 3.41Å; L116-F358 VanDerWaalsContact CD2-CZ 3.41Å; V157-F358 HydrophobicContact CG1-CE1 4.36Å; F158-F358 HydrophobicContact CB-CE1 4.38Å; F158-F358 HydrophobicContact CB-CE2 4.33Å; F158-F358 HydrophobicContact CB-CZ 3.71Å; F158-F358 HydrophobicContact CD1-CE2 4.15Å; F158-F358 HydrophobicContact CD1-CZ 4.31Å; F158-F358 HydrophobicContact CD2-CE2 4.22Å; F158-F358 AromaticContact CD2-CZ 3.79Å; F158-F358 HydrophobicContact CD2-CZ 3.79Å; F158-F358 AromaticContact CG-CE2 3.96Å; F158-F358 HydrophobicContact CG-CE2 3.96Å; F158-F358 AromaticContact CG-CZ 3.66Å; F158-F358 HydrophobicContact CG-CZ 3.66Å; N257-F358 WeakPolarHBondContact CA-O 3.39Å; N257-F358 VanDerWaalsContact OD1-CB 3.26Å; N257-F358 WeakPolarHBondContact OD1-CB 3.45Å; V258-F358 WeakPolarHBondContact CG1-O 3.27Å; V258-F358 HydrophobicContact CG2-CB 3.91Å; V258-F358 HydrophobicContact CG2-CD1 4.08Å; V258-F358 HydrophobicContact CG2-CG 4.41Å; V258-F358 PolarHBondContact N-O 2.91Å; F259-F358 HydrophobicContact CD2-CB 4.48Å; F259-F358 HydrophobicContact CD2-CD2 4.29Å; F259-F358 HydrophobicContact CD2-CG 4.25Å; F259-F358 HydrophobicContact CE1-CD1 4.46Å; F259-F358 HydrophobicContact CE2-CB 4.26Å; F259-F358 AromaticContact CE2-CD1 3.76Å; F259-F358 HydrophobicContact CE2-CD1 3.76Å; F259-F358 AromaticContact CE2-CD2 3.52Å; F259-F358 HydrophobicContact CE2-CD2 3.52Å; F259-F358 AromaticContact CE2-CE1 3.89Å; F259-F358 HydrophobicContact CE2-CE1 3.89Å; F259-F358 AromaticContact CE2-CE2 3.66Å; F259-F358 HydrophobicContact CE2-CE2 3.66Å; F259-F358 AromaticContact CE2-CG 3.57Å; F259-F358 HydrophobicContact CE2-CG 3.57Å; F259-F358 AromaticContact CE2-CZ 3.84Å; F259-F358 HydrophobicContact CE2-CZ 3.84Å; F259-F358 AromaticContact CZ-CD1 3.62Å; F259-F358 HydrophobicContact CZ-CD1 3.62Å; F259-F358 HydrophobicContact CZ-CD2 4.18Å; F259-F358 AromaticContact CZ-CE1 3.52Å; F259-F358 HydrophobicContact CZ-CE1 3.52Å; F259-F358 HydrophobicContact CZ-CE2 4.11Å; F259-F358 AromaticContact CZ-CG 3.95Å; F259-F358 HydrophobicContact CZ-CG 3.95Å; F259-F358 AromaticContact CZ-CZ 3.79Å; F259-F358 HydrophobicContact CZ-CZ 3.79Å; L354-F358 HydrophobicContact CB-CD2 4.39Å; L354-F358 HydrophobicContact CD2-CD2 3.97Å; L354-F358 HydrophobicContact CD2-CE2 3.67Å; L354-F358 VanDerWaalsContact O-CB 3.27Å; L354-F358 WeakPolarHBondContact O-CB 3.37Å; L354-F358 WeakPolarHBondContact O-CD2 3.28Å; L354-F358 PolarHBondContact O-N 3.08Å
359T90.9Very high73.2Confident57 Ų5776.3 Ų76.335%0.3539%0.391SS..  trans-60.6131.3175.2-56.50000110.1D355 Y356 G361D355-T359 WeakPolarHBondContact O-CA 3.39Å; D355-T359 PolarHBondContact O-N 2.59Å; D355-T359 PolarHBondContact O-OG1 3.27Å; Y356-T359 PolarHBondContact O-OG1 3.19Å; Y356-T359 VanDerWaalsContact O-OG1 3.13Å; T359-G361 PolarHBondContact O-N 2.88Å
360P84.6Confident72.2Confident27 Ų2778.4 Ų78.418%0.17540%0.396CS..THydrogen-bonded Turntrans-60.9136.7176.2-2131.7000111.6Q229 N256 V258 R362Q229-P360 WeakPolarHBondContact O-CB 3.29Å; Q229-P360 WeakPolarHBondContact O-CG 3.24Å; N256-P360 VanDerWaalsContact C-CD 3.5Å; N256-P360 WeakPolarHBondContact O-CD 3.25Å; V258-P360 HydrophobicContact CG1-CB 4.43Å; V258-P360 HydrophobicContact CG1-CG 4.44Å; P360-R362 PolarHBondContact O-N 3.27Å
361G70.7Confident70.9Confident46 Ų4682.2 Ų82.247%0.47442%0.415SS..THydrogen-bonded Turntrans68.714.8170.100000115.7T359 L363T359-G361 PolarHBondContact O-N 2.88Å; G361-L363 PolarHBondContact O-N 3.45Å
362R63.8Low69.5Low57 Ų5783.7 Ų83.722%0.21543%0.427CS..  trans-58104175.9-168.8172.9179.8178.5-6.2110.3E122 Y356 P360E122-R362 IonicContact OE2-CZ 3.41Å; E122-R362 IonicContact OE2-NH2 2.68Å; E122-R362 PolarHBondContact OE2-NH2 3.43Å; Y356-R362 PolarHBondContact O-NH1 3.28Å; Y356-R362 PolarHBondContact OH-NH2 3.06Å; P360-R362 PolarHBondContact O-N 3.27Å
363L46.8Very low68.1Low137 Ų13782.7 Ų82.772%0.71742%0.424SS*.  trans-78124159.8-67.6166.8000105G361 D365G361-L363 PolarHBondContact O-N 3.45Å; L363-D365 PolarHBondContact O-N 2.88Å; L363-D365 VanDerWaalsContact O-N 3.11Å
364E47.8Very low66.4Low97 Ų9787.9 Ų87.945%0.45345%0.451SS..  trans-58.3118.5163.8-67.3-179.8160.500106.3R366E364-R366 VanDerWaalsContact C-N 3.3Å; E364-R366 PolarHBondContact O-N 3.37Å
365D41.6Very low64.5Low135 Ų13593.7 Ų93.772%0.72248%0.481SS*.  trans-56.3100.2170.5-72.1-38.2000106.9L363 E367L363-D365 PolarHBondContact O-N 2.88Å; L363-D365 VanDerWaalsContact O-N 3.11Å; D365-E367 PolarHBondContact O-N 3.11Å
366R40.8Very low62.4Low234 Ų23497 Ų9788%0.88350%0.497SS*.  trans-74.838168-72.8-172.1172.6-173.9-0.4110.4E364 G368E364-R366 VanDerWaalsContact C-N 3.3Å; E364-R366 PolarHBondContact O-N 3.37Å; R366-G368 PolarHBondContact O-N 3.29Å
367E38.4Very low60.1Low185 Ų185102.5 Ų102.586%0.86453%0.527SS*.  trans-88.986.6166.8-73.1-166.5158.300107.8D365D365-E367 PolarHBondContact O-N 3.11Å
368G40.7Very low57.5Low75 Ų75110.9 Ų110.977%0.77357%0.571SS**  trans16236177.600000115.7R366R366-G368 PolarHBondContact O-N 3.29Å
369K31.3Very low54.3Low281 Ų281121 Ų121100%1.22262%0.623SS**  trans-143.20159.4-102.6-172.4-178.8-179.60111.4

Retrieved 369 of 369 residues in 770.8 ms (Link to these results)

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