A0A093HWI9_STRCA Loading...

Phosphoenolpyruvate carboxykinase, cytosolic [GTP]

AlphaFold DB , UniProt , Accession A0A093HWI9, Species STRCA (Struthio camelus australis), Gene n/a, Length 622 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
1M38.4Very low49.1Very low212 Ų212136.5 Ų136.5100%1.04471%0.714SS**  0127.40-79171.172.100107.5
2P32.7Very low51.3Low111 Ų111130.9 Ų130.972%0.72168%0.684SS**PPolyproline II helixtrans-64.3155.8173.530.1-31.9000109.4Q4P2-Q4 PolarHBondContact O-N 3.09Å; P2-Q4 VanDerWaalsContact O-N 3.16Å
3P41.1Very low53.5Low126 Ų126129.1 Ų129.182%0.81869%0.685SS**PPolyproline II helixtrans-63.8119.7176.52.59.7000107.9L5P3-L5 PolarHBondContact O-N 2.68Å; P3-L5 VanDerWaalsContact O-N 3.14Å
4Q38.3Very low56.3Low170 Ų170124.7 Ų124.779%0.79466%0.657SS**PPolyproline II helixtrans-61.8116.5167.4-76.7173.7-22.600107.4P2 K6P2-Q4 PolarHBondContact O-N 3.09Å; P2-Q4 VanDerWaalsContact O-N 3.16Å; Q4-K6 PolarHBondContact O-N 3.1Å
5L42.2Very low58.9Low163 Ų163118.5 Ų118.585%0.85363%0.626SS**  trans-49.9105.9161.8-89.3135000107.2P3 T7P3-L5 PolarHBondContact O-N 2.68Å; P3-L5 VanDerWaalsContact O-N 3.14Å; L5-T7 VanDerWaalsContact C-N 3.3Å; L5-T7 PolarHBondContact O-N 3.42Å
6K45.4Very low61.3Low194 Ų194117.9 Ų117.984%0.84362%0.622SS**  trans-61.1103.7158.7-79.8178.8177175.70104.4Q4 E8Q4-K6 PolarHBondContact O-N 3.1Å; K6-E8 VanDerWaalsContact C-N 3.29Å; K6-E8 PolarHBondContact O-N 2.93Å
7T44.6Very low63.4Low132 Ų132113.5 Ų113.581%0.8160%0.597SS**  trans-55.7102.1164.529.30000106.1L5 L9L5-T7 VanDerWaalsContact C-N 3.3Å; L5-T7 PolarHBondContact O-N 3.42Å; T7-L9 PolarHBondContact O-N 3.32Å
8E55.1Low65.2Low180 Ų180110.1 Ų110.184%0.84159%0.593SS**  trans-52.9125.1165.9-75.3178.5165.100106.2K6 N10K6-E8 VanDerWaalsContact C-N 3.29Å; K6-E8 PolarHBondContact O-N 2.93Å; E8-N10 VanDerWaalsContact C-N 3.27Å; E8-N10 PolarHBondContact O-N 3.16Å
9L56.5Low66.7Low98 Ų98108.5 Ų108.551%0.51359%0.585SS.*  trans-60.796.3176.4-104.2146.7000106.5T7 I11 K36T7-L9 PolarHBondContact O-N 3.32Å; L9-I11 PolarHBondContact O-N 2.81Å; L9-K36 HydrophobicContact CD1-CG 4.36Å
10N69Low67.9Low105 Ų105103.2 Ų103.256%0.56156%0.556SS**  trans-68.999.8174.4-172.8-1.2000107E8 I12 P13E8-N10 VanDerWaalsContact C-N 3.27Å; E8-N10 PolarHBondContact O-N 3.16Å; N10-I12 VanDerWaalsContact C-N 3.26Å; N10-I12 WeakPolarHBondContact OD1-CB 3.3Å; N10-I12 VanDerWaalsContact OD1-CD1 3.29Å; N10-I12 WeakPolarHBondContact OD1-CD1 3.41Å; N10-I12 WeakPolarHBondContact OD1-CG1 3.5Å; N10-I12 PolarHBondContact OD1-N 3.5Å; N10-P13 WeakPolarHBondContact O-CD 3.39Å
11I77.1Confident69.1Low10 Ų10104.1 Ų104.15%0.05156%0.557CS.*  trans-79.9-9179.759.7154.4000112.7L9 P13 K14 L20 I31 E32 A35 I43L9-I11 PolarHBondContact O-N 2.81Å; I11-P13 VanDerWaalsContact C-N 3.32Å; I11-K14 WeakPolarHBondContact O-CB 3.4Å; I11-K14 PolarHBondContact O-N 3.21Å; I11-L20 HydrophobicContact CD1-CD1 3.83Å; I11-L20 HydrophobicContact CD1-CD2 4.04Å; I11-L20 HydrophobicContact CG1-CD2 4.3Å; I11-I31 HydrophobicContact CD1-CG2 4.47Å; I11-E32 HydrophobicContact CD1-CB 4.22Å; I11-E32 HydrophobicContact CD1-CG 3.47Å; I11-E32 VanDerWaalsContact CD1-CG 3.47Å; I11-E32 HydrophobicContact CG1-CG 3.94Å; I11-A35 HydrophobicContact CD1-CB 4.29Å; I11-A35 HydrophobicContact CG2-CB 4.28Å; I11-I43 HydrophobicContact CB-CD1 4.26Å; I11-I43 HydrophobicContact CD1-CD1 3.64Å
12I74.8Confident71.6Confident70 Ų7098 Ų9836%0.35954%0.535SS..G310 helixtrans-51.9-43.2-178.8-61.2170.7000112.4N10 K14 V15 Q21N10-I12 VanDerWaalsContact C-N 3.26Å; N10-I12 WeakPolarHBondContact OD1-CB 3.3Å; N10-I12 VanDerWaalsContact OD1-CD1 3.29Å; N10-I12 WeakPolarHBondContact OD1-CD1 3.41Å; N10-I12 WeakPolarHBondContact OD1-CG1 3.5Å; N10-I12 PolarHBondContact OD1-N 3.5Å; I12-K14 PolarHBondContact O-N 2.87Å; I12-K14 VanDerWaalsContact O-N 3.09Å; I12-V15 PolarHBondContact O-N 3.47Å; I12-V15 VanDerWaalsContact O-N 3.14Å; I12-Q21 HydrophobicContact CD1-CG 4.49Å
13P80.6Confident74.6Confident107 Ų10793.3 Ų93.370%0.69550%0.504SS*.G310 helixtrans-65.1-13.7178.7-20.234.1000114.7N10 I11N10-P13 WeakPolarHBondContact O-CD 3.39Å; I11-P13 VanDerWaalsContact C-N 3.32Å
14K91.7Very high77.2Confident68 Ų6888.3 Ų88.330%0.29647%0.472SS..G310 helixtrans-90.1-8.5178.3-64-174.1168.5-168.50113.1I11 I12 I16 P40 S42 I43I11-K14 WeakPolarHBondContact O-CB 3.4Å; I11-K14 PolarHBondContact O-N 3.21Å; I12-K14 PolarHBondContact O-N 2.87Å; I12-K14 VanDerWaalsContact O-N 3.09Å; K14-I16 PolarHBondContact O-N 3.49Å; K14-P40 PolarHBondContact NZ-O 3.4Å; K14-S42 CarbonylContact O-C 3.21Å; K14-S42 VanDerWaalsContact O-CA 3.28Å; K14-S42 WeakPolarHBondContact O-CA 3.31Å; K14-I43 PolarHBondContact O-N 3.4Å
15V96.4Very high79.9Confident32 Ų3284.5 Ų84.519%0.19446%0.462CS..EExtended strand (participates in β ladder)trans-77.2113.2-179-176.60000109.3I12 Q17 G18 L20 I43 I45I12-V15 PolarHBondContact O-N 3.47Å; I12-V15 VanDerWaalsContact O-N 3.14Å; V15-Q17 WeakPolarHBondContact CG1-O 3.29Å; V15-G18 WeakPolarHBondContact CG1-O 3.45Å; V15-L20 HydrophobicContact CG2-CB 4.27Å; V15-L20 HydrophobicContact CG2-CD1 4.29Å; V15-I43 CarbonylContact C-O 3.57Å; V15-I43 WeakPolarHBondContact CA-O 3.44Å; V15-I43 HydrophobicContact CG2-CB 4.33Å; V15-I45 HydrophobicContact CG1-CD1 4.26Å
16I97.1Very high82.5Confident109 Ų10982.2 Ų82.256%0.55945%0.446SS*.EExtended strand (participates in β ladder)trans-97-17.5-178.659167.6000113K14 I43 H44 T138K14-I16 PolarHBondContact O-N 3.49Å; I16-I43 WeakPolarHBondContact CG1-O 3.43Å; I16-I43 PolarHBondContact N-O 3.2Å; I16-H44 HydrophobicContact CD1-CB 4.34Å; I16-H44 HydrophobicContact CG1-CB 4.17Å; I16-T138 HydrophobicContact CD1-CG2 4.23Å
17Q96.6Very high85Confident43 Ų4373 Ų7320%0.20141%0.406CS..EExtended strand (participates in β ladder)trans-148.4139.8173.1-174.3172.5-52.300111V15 H44 I45 E52V15-Q17 WeakPolarHBondContact CG1-O 3.29Å; Q17-H44 VanDerWaalsContact CD-NE2 3.27Å; Q17-H44 PolarHBondContact NE2-NE2 3.12Å; Q17-H44 PolarHBondContact OE1-CE1 3.16Å; Q17-H44 PolarHBondContact OE1-NE2 2.98Å; Q17-I45 PolarHBondContact NE2-O 2.88Å; Q17-I45 WeakPolarHBondContact O-CB 3.48Å; Q17-I45 PolarHBondContact O-N 3.16Å; Q17-E52 PolarHBondContact NE2-OE1 3.08Å
18G95.2Very high87.5Confident51 Ų5170 Ų7053%0.52638%0.38SS..SBendtrans82.9-176.8-177.200000113.3V15V15-G18 WeakPolarHBondContact CG1-O 3.45Å
19D93.7Very high89.5Confident80 Ų8067.6 Ų67.643%0.42837%0.369SS..  trans-130.2110.3179175.217.3000110.5Q21 S22D19-Q21 PolarHBondContact O-N 3.31Å; D19-Q21 WeakPolarHBondContact OD1-CB 3.3Å; D19-Q21 PolarHBondContact OD1-N 2.71Å; D19-S22 WeakPolarHBondContact O-CB 3.48Å; D19-S22 PolarHBondContact O-N 3.12Å; D19-S22 VanDerWaalsContact O-N 3.09Å; D19-S22 PolarHBondContact O-OG 2.71Å; D19-S22 PolarHBondContact OD2-N 3.43Å
20L92.2Very high91.5Very high3 Ų363.7 Ų63.72%0.01635%0.348CS..G310 helixtrans-60.8-30.4178.8-159.3111.4000112.1I11 V15 S22 L23 R28 I31 E32I11-L20 HydrophobicContact CD1-CD1 3.83Å; I11-L20 HydrophobicContact CD1-CD2 4.04Å; I11-L20 HydrophobicContact CG1-CD2 4.3Å; V15-L20 HydrophobicContact CG2-CB 4.27Å; V15-L20 HydrophobicContact CG2-CD1 4.29Å; L20-S22 VanDerWaalsContact C-N 3.29Å; L20-S22 PolarHBondContact O-N 2.98Å; L20-L23 PolarHBondContact O-N 3.42Å; L20-R28 HydrophobicContact CD2-CG 3.66Å; L20-R28 HydrophobicContact CG-CG 4.05Å; L20-R28 PolarHBondContact O-NE 3.48Å; L20-R28 PolarHBondContact O-NH2 2.79Å; L20-I31 HydrophobicContact CD1-CB 4.39Å; L20-I31 HydrophobicContact CD1-CG2 3.78Å; L20-E32 HydrophobicContact CD2-CG 4.02Å; L20-E32 VanDerWaalsContact CD2-OE1 3.22Å; L20-E32 WeakPolarHBondContact CD2-OE1 3.36Å
21Q91.6Very high92.9Very high123 Ų12358.7 Ų58.758%0.57532%0.321SS*.G310 helixtrans-74.4-19.1178.7-61.6-172.3-9.100113.3I12 D19 R28I12-Q21 HydrophobicContact CD1-CG 4.49Å; D19-Q21 PolarHBondContact O-N 3.31Å; D19-Q21 WeakPolarHBondContact OD1-CB 3.3Å; D19-Q21 PolarHBondContact OD1-N 2.71Å; Q21-R28 PolarHBondContact O-NH2 3.44Å
22S92.6Very high93.9Very high84 Ų8461.9 Ų61.959%0.58734%0.336SS*.G310 helixtrans-82.5-14.7174.376.70000113.3D19 L20D19-S22 WeakPolarHBondContact O-CB 3.48Å; D19-S22 PolarHBondContact O-N 3.12Å; D19-S22 VanDerWaalsContact O-N 3.09Å; D19-S22 PolarHBondContact O-OG 2.71Å; D19-S22 PolarHBondContact OD2-N 3.43Å; L20-S22 VanDerWaalsContact C-N 3.29Å; L20-S22 PolarHBondContact O-N 2.98Å
23L95.6Very high95Very high11 Ų1161.4 Ų61.46%0.05834%0.339CS..SBendtrans-75.9150.2-176.3-61.6-179.5000112.4L20 V27 R28 I31 I45 L181L20-L23 PolarHBondContact O-N 3.42Å; L23-V27 HydrophobicContact CB-CG1 4.43Å; L23-V27 HydrophobicContact CD1-CG1 4.17Å; L23-R28 PolarHBondContact O-NH2 3.03Å; L23-I31 HydrophobicContact CD1-CD1 3.36Å; L23-I45 HydrophobicContact CD1-CD1 3.87Å; L23-I45 HydrophobicContact CD1-CG1 4.49Å; L23-I45 HydrophobicContact CG-CD1 4.47Å; L23-L181 HydrophobicContact CD2-CD1 3.92Å; L23-L181 HydrophobicContact CD2-CD2 4.34Å
24P95.1Very high95.8Very high22 Ų2257 Ų5714%0.14331%0.309CS..  trans-52.4144.9169.8-24.533.5000111.9E26 V27 R28 G185P24-E26 PolarHBondContact O-N 2.81Å; P24-V27 HydrophobicContact CB-CB 4.33Å; P24-V27 HydrophobicContact CB-CG2 4.03Å; P24-V27 HydrophobicContact CG-CG2 4.13Å; P24-V27 PolarHBondContact O-N 2.69Å; P24-V27 VanDerWaalsContact O-N 3.11Å; P24-R28 PolarHBondContact O-N 3.08Å; P24-G185 VanDerWaalsContact CB-O 3.28Å; P24-G185 WeakPolarHBondContact CB-O 3.14Å; P24-G185 WeakPolarHBondContact CG-O 3.39Å
25P95.8Very high96.2Very high90 Ų9054 Ų5458%0.58430%0.297SS*.Hα-helixtrans-54-45.6-174.1-28.735.6000114.3V27 R28 E29P25-V27 PolarHBondContact O-N 2.71Å; P25-R28 WeakPolarHBondContact O-CB 3.34Å; P25-R28 PolarHBondContact O-N 2.93Å; P25-E29 WeakPolarHBondContact O-CB 3.44Å; P25-E29 PolarHBondContact O-N 3.3Å
26E96.6Very high96.2Very high114 Ų11459 Ų5953%0.53332%0.317SS..Hα-helixtrans-68.6-34.4-179.5-65.1-169.6178.800113P24 F30 F189P24-E26 PolarHBondContact O-N 2.81Å; E26-F30 VanDerWaalsContact O-CB 3.31Å; E26-F30 WeakPolarHBondContact O-CB 3.19Å; E26-F30 PolarHBondContact O-N 2.78Å; E26-F189 HydrophobicContact CB-CE1 3.95Å; E26-F189 HydrophobicContact CB-CZ 4.47Å
27V98Very high96.3Very high1 Ų155.9 Ų55.91%0.00630%0.301CS..Hα-helixtrans-66.2-43.9174.4177.60000109.7L23 P24 P25 F30 I31 I158 L184 F189L23-V27 HydrophobicContact CB-CG1 4.43Å; L23-V27 HydrophobicContact CD1-CG1 4.17Å; P24-V27 HydrophobicContact CB-CB 4.33Å; P24-V27 HydrophobicContact CB-CG2 4.03Å; P24-V27 HydrophobicContact CG-CG2 4.13Å; P24-V27 PolarHBondContact O-N 2.69Å; P24-V27 VanDerWaalsContact O-N 3.11Å; P25-V27 PolarHBondContact O-N 2.71Å; V27-F30 PolarHBondContact O-N 3.31Å; V27-I31 HydrophobicContact CG1-CD1 3.9Å; V27-I31 WeakPolarHBondContact O-CD1 3.26Å; V27-I31 VanDerWaalsContact O-CG1 3.27Å; V27-I31 WeakPolarHBondContact O-CG1 3.34Å; V27-I31 PolarHBondContact O-N 3.26Å; V27-I158 HydrophobicContact CG1-CD1 4.29Å; V27-I158 HydrophobicContact CG1-CG1 4.22Å; V27-I158 HydrophobicContact CG2-CD1 4.5Å; V27-I158 HydrophobicContact CG2-CG1 4.25Å; V27-L184 HydrophobicContact CG2-CD2 3.72Å; V27-F189 HydrophobicContact CG2-CD1 4.14Å; V27-F189 HydrophobicContact CG2-CE1 3.68Å; V27-F189 HydrophobicContact CG2-CZ 3.95Å
28R97.1Very high96.4Very high68 Ų6853.9 Ų53.926%0.25729%0.291SS..Hα-helixtrans-60.1-49.9175.9-178-177.9-51.315917.7111.5L20 Q21 L23 P24 P25 F30 I31 E32L20-R28 HydrophobicContact CD2-CG 3.66Å; L20-R28 HydrophobicContact CG-CG 4.05Å; L20-R28 PolarHBondContact O-NE 3.48Å; L20-R28 PolarHBondContact O-NH2 2.79Å; Q21-R28 PolarHBondContact O-NH2 3.44Å; L23-R28 PolarHBondContact O-NH2 3.03Å; P24-R28 PolarHBondContact O-N 3.08Å; P25-R28 WeakPolarHBondContact O-CB 3.34Å; P25-R28 PolarHBondContact O-N 2.93Å; R28-F30 VanDerWaalsContact C-N 3.3Å; R28-F30 PolarHBondContact O-N 2.96Å; R28-I31 PolarHBondContact O-N 2.85Å; R28-I31 VanDerWaalsContact O-N 3.14Å; R28-E32 WeakPolarHBondContact CD-OE1 3.46Å; R28-E32 HydrophobicContact CG-CG 4.2Å; R28-E32 WeakPolarHBondContact CG-OE1 3.4Å; R28-E32 WeakPolarHBondContact O-CB 3.14Å; R28-E32 WeakPolarHBondContact O-CG 3.24Å; R28-E32 PolarHBondContact O-N 3.33Å
29E97.1Very high96.5Very high131 Ų13155 Ų5561%0.61228%0.283SS*.Hα-helixtrans-60.5-40.8179.3-176.5178.2-176.600111.6P25 I31 E32 S33P25-E29 WeakPolarHBondContact O-CB 3.44Å; P25-E29 PolarHBondContact O-N 3.3Å; E29-I31 PolarHBondContact O-N 2.95Å; E29-E32 PolarHBondContact O-N 2.87Å; E29-S33 VanDerWaalsContact O-CB 3.27Å; E29-S33 WeakPolarHBondContact O-CB 3.28Å; E29-S33 PolarHBondContact O-N 3.12Å; E29-S33 PolarHBondContact O-OG 2.89Å
30F98.4Very high96.8Very high15 Ų1551.2 Ų51.27%0.06626%0.263CS..Hα-helixtrans-61-42.8175178.2-122000112E26 V27 R28 S33 N34 I158 L160 F189 K191E26-F30 VanDerWaalsContact O-CB 3.31Å; E26-F30 WeakPolarHBondContact O-CB 3.19Å; E26-F30 PolarHBondContact O-N 2.78Å; V27-F30 PolarHBondContact O-N 3.31Å; R28-F30 VanDerWaalsContact C-N 3.3Å; R28-F30 PolarHBondContact O-N 2.96Å; F30-S33 PolarHBondContact O-OG 3.34Å; F30-S33 VanDerWaalsContact O-OG 3.14Å; F30-N34 WeakPolarHBondContact CD2-ND2 3.13Å; F30-N34 WeakPolarHBondContact CE2-ND2 3.2Å; F30-N34 WeakPolarHBondContact O-CB 3.37Å; F30-N34 PolarHBondContact O-N 2.94Å; F30-N34 PolarHBondContact O-ND2 3.3Å; F30-I158 HydrophobicContact CD1-CB 4.3Å; F30-I158 HydrophobicContact CD1-CG2 4.09Å; F30-I158 HydrophobicContact CE1-CB 4.24Å; F30-I158 HydrophobicContact CE1-CG2 4.09Å; F30-L160 HydrophobicContact CD1-CD1 4.04Å; F30-L160 HydrophobicContact CD1-CG 4.24Å; F30-L160 HydrophobicContact CE1-CD1 3.65Å; F30-L160 HydrophobicContact CE1-CD2 4.21Å; F30-L160 HydrophobicContact CE1-CG 3.58Å; F30-L160 HydrophobicContact CE2-CD1 4.32Å; F30-L160 HydrophobicContact CZ-CD1 3.78Å; F30-L160 HydrophobicContact CZ-CG 3.97Å; F30-F189 HydrophobicContact CB-CE2 4.45Å; F30-F189 HydrophobicContact CB-CZ 4.22Å; F30-F189 AromaticContact CD1-CE2 3.96Å; F30-F189 HydrophobicContact CD1-CE2 3.96Å; F30-F189 HydrophobicContact CG-CE2 4.3Å; F30-K191 HydrophobicContact CD2-CB 4.11Å; F30-K191 HydrophobicContact CD2-CD 3.95Å; F30-K191 HydrophobicContact CD2-CG 3.91Å; F30-K191 HydrophobicContact CE1-CB 4.3Å; F30-K191 HydrophobicContact CE2-CB 3.62Å; F30-K191 HydrophobicContact CE2-CD 4.21Å; F30-K191 HydrophobicContact CE2-CG 3.96Å; F30-K191 HydrophobicContact CG-CG 4.22Å; F30-K191 HydrophobicContact CZ-CB 3.73Å; F30-K191 HydrophobicContact CZ-CG 4.3Å
31I98.4Very high97.1Very high0 Ų057.3 Ų57.30%029%0.291CS..Hα-helixtrans-67.9-47.8176.2-63.5158.2000110.8I11 L20 L23 V27 R28 E29 N34 A35 I43 V141 L160I11-I31 HydrophobicContact CD1-CG2 4.47Å; L20-I31 HydrophobicContact CD1-CB 4.39Å; L20-I31 HydrophobicContact CD1-CG2 3.78Å; L23-I31 HydrophobicContact CD1-CD1 3.36Å; V27-I31 HydrophobicContact CG1-CD1 3.9Å; V27-I31 WeakPolarHBondContact O-CD1 3.26Å; V27-I31 VanDerWaalsContact O-CG1 3.27Å; V27-I31 WeakPolarHBondContact O-CG1 3.34Å; V27-I31 PolarHBondContact O-N 3.26Å; R28-I31 PolarHBondContact O-N 2.85Å; R28-I31 VanDerWaalsContact O-N 3.14Å; E29-I31 PolarHBondContact O-N 2.95Å; I31-N34 PolarHBondContact O-N 3.41Å; I31-A35 VanDerWaalsContact O-CB 3.24Å; I31-A35 WeakPolarHBondContact O-CB 3.29Å; I31-A35 PolarHBondContact O-N 3.4Å; I31-I43 HydrophobicContact CG2-CD1 4.33Å; I31-I43 HydrophobicContact CG2-CG2 4.31Å; I31-V141 HydrophobicContact CD1-CB 4.45Å; I31-V141 HydrophobicContact CD1-CG1 3.7Å; I31-V141 HydrophobicContact CD1-CG2 3.98Å; I31-V141 HydrophobicContact CG1-CG1 4Å; I31-V141 HydrophobicContact CG1-CG2 3.97Å; I31-V141 HydrophobicContact CG2-CG2 4.17Å; I31-L160 HydrophobicContact CG1-CD2 3.97Å
32E97.6Very high97.4Very high77 Ų7752.3 Ų52.336%0.3627%0.27SS..Hα-helixtrans-62.1-47.6-176.5-78.8175.217600112.5I11 L20 R28 E29 N34 A35 K36I11-E32 HydrophobicContact CD1-CB 4.22Å; I11-E32 HydrophobicContact CD1-CG 3.47Å; I11-E32 VanDerWaalsContact CD1-CG 3.47Å; I11-E32 HydrophobicContact CG1-CG 3.94Å; L20-E32 HydrophobicContact CD2-CG 4.02Å; L20-E32 VanDerWaalsContact CD2-OE1 3.22Å; L20-E32 WeakPolarHBondContact CD2-OE1 3.36Å; R28-E32 WeakPolarHBondContact CD-OE1 3.46Å; R28-E32 HydrophobicContact CG-CG 4.2Å; R28-E32 WeakPolarHBondContact CG-OE1 3.4Å; R28-E32 WeakPolarHBondContact O-CB 3.14Å; R28-E32 WeakPolarHBondContact O-CG 3.24Å; R28-E32 PolarHBondContact O-N 3.33Å; E29-E32 PolarHBondContact O-N 2.87Å; E32-N34 PolarHBondContact O-N 3.42Å; E32-A35 PolarHBondContact O-N 2.9Å; E32-K36 WeakPolarHBondContact O-CB 3.36Å; E32-K36 PolarHBondContact O-N 2.81Å
33S97.6Very high97.7Very high60 Ų6048.3 Ų48.342%0.4224%0.242SC..Hα-helixtrans-61.7-44178.656.70000111.6E29 F30 K36 L37E29-S33 VanDerWaalsContact O-CB 3.27Å; E29-S33 WeakPolarHBondContact O-CB 3.28Å; E29-S33 PolarHBondContact O-N 3.12Å; E29-S33 PolarHBondContact O-OG 2.89Å; F30-S33 PolarHBondContact O-OG 3.34Å; F30-S33 VanDerWaalsContact O-OG 3.14Å; S33-K36 PolarHBondContact O-N 2.89Å; S33-L37 PolarHBondContact O-N 3.5Å
34N98.6Very high97.8Very high15 Ų1548.6 Ų48.68%0.0824%0.243CC..Hα-helixtrans-75.2-32.5179.4-75.7-71.4000113.1F30 I31 E32 K36 L37 C38 M139 L160 L193F30-N34 WeakPolarHBondContact CD2-ND2 3.13Å; F30-N34 WeakPolarHBondContact CE2-ND2 3.2Å; F30-N34 WeakPolarHBondContact O-CB 3.37Å; F30-N34 PolarHBondContact O-N 2.94Å; F30-N34 PolarHBondContact O-ND2 3.3Å; I31-N34 PolarHBondContact O-N 3.41Å; E32-N34 PolarHBondContact O-N 3.42Å; N34-K36 VanDerWaalsContact C-N 3.33Å; N34-L37 PolarHBondContact O-N 2.83Å; N34-C38 VanDerWaalsContact O-CB 3.27Å; N34-C38 WeakPolarHBondContact O-CB 3.49Å; N34-C38 PolarHBondContact O-N 3.42Å; N34-C38 PolarHBondContact O-SG 3.3Å; N34-M139 HydrophobicContact CB-CE 4.32Å; N34-L160 HydrophobicContact CB-CD1 3.49Å; N34-L160 VanDerWaalsContact CB-CD1 3.49Å; N34-L193 HydrophobicContact CB-CD1 4.27Å; N34-L193 VanDerWaalsContact OD1-CD2 3.31Å; N34-L193 WeakPolarHBondContact OD1-CD2 3.39Å
35A98.4Very high98Very high5 Ų548 Ų484%0.04124%0.238CC..Hα-helixtrans-64.5-40171.600000111I11 I31 E32 L37 Q39 P40 I43 M139I11-A35 HydrophobicContact CD1-CB 4.29Å; I11-A35 HydrophobicContact CG2-CB 4.28Å; I31-A35 VanDerWaalsContact O-CB 3.24Å; I31-A35 WeakPolarHBondContact O-CB 3.29Å; I31-A35 PolarHBondContact O-N 3.4Å; E32-A35 PolarHBondContact O-N 2.9Å; A35-L37 VanDerWaalsContact C-N 3.31Å; A35-L37 PolarHBondContact O-N 3.36Å; A35-Q39 WeakPolarHBondContact O-CA 3.41Å; A35-Q39 PolarHBondContact O-N 3.22Å; A35-P40 HydrophobicContact CB-CG 4.18Å; A35-P40 WeakPolarHBondContact O-CD 3.23Å; A35-I43 HydrophobicContact CB-CD1 3.86Å; A35-M139 HydrophobicContact CB-SD 4.38Å
36K97.8Very high98.1Very high138 Ų13843.8 Ų43.860%0.621%0.211SC*.Hα-helixtrans-64-36.1173.3-176.3179.7177.7-177.40112.4L9 E32 S33 N34 Q39L9-K36 HydrophobicContact CD1-CG 4.36Å; E32-K36 WeakPolarHBondContact O-CB 3.36Å; E32-K36 PolarHBondContact O-N 2.81Å; S33-K36 PolarHBondContact O-N 2.89Å; N34-K36 VanDerWaalsContact C-N 3.33Å; K36-Q39 PolarHBondContact O-NE2 2.95Å
37L98.4Very high98.2Very high43 Ų4341.3 Ų41.323%0.22520%0.201CC..Hα-helixtrans-72.6-53.6176.9176.866.2000112.1S33 N34 A35 F126 F130 P131 G132S33-L37 PolarHBondContact O-N 3.5Å; N34-L37 PolarHBondContact O-N 2.83Å; A35-L37 VanDerWaalsContact C-N 3.31Å; A35-L37 PolarHBondContact O-N 3.36Å; L37-F126 HydrophobicContact CD1-CE1 4.44Å; L37-F126 HydrophobicContact CD2-CE1 3.5Å; L37-F126 VanDerWaalsContact CD2-CE1 3.5Å; L37-F126 HydrophobicContact CD2-CE2 4.28Å; L37-F126 HydrophobicContact CD2-CZ 3.22Å; L37-F130 HydrophobicContact CD2-CB 3.78Å; L37-F130 HydrophobicContact CG-CB 4.15Å; L37-P131 HydrophobicContact CD1-CB 4.38Å; L37-P131 HydrophobicContact CD1-CG 3.91Å; L37-P131 WeakPolarHBondContact O-CA 3.22Å; L37-G132 PolarHBondContact O-N 3.11Å
38C98.7Very high98.2Very high0 Ų042 Ų420%021%0.208CC..Hα-helixtrans-84.4-16.7-168.1-56.50000113.2N34 G132 C133 M134 M139N34-C38 VanDerWaalsContact O-CB 3.27Å; N34-C38 WeakPolarHBondContact O-CB 3.49Å; N34-C38 PolarHBondContact O-N 3.42Å; N34-C38 PolarHBondContact O-SG 3.3Å; C38-G132 CarbonylContact O-C 3.6Å; C38-G132 WeakPolarHBondContact O-CA 3.46Å; C38-C133 PolarHBondContact O-N 3.12Å; C38-M134 HydrophobicContact CB-CB 3.99Å; C38-M134 HydrophobicContact CB-CE 4.48Å; C38-M134 HydrophobicContact CB-CG 3.74Å; C38-M134 HydrophobicContact CB-SD 3.85Å; C38-M134 WeakPolarHBondContact O-CA 3.4Å; C38-M134 PolarHBondContact O-N 2.95Å; C38-M139 HydrophobicContact CB-CE 3.89Å
39Q98.3Very high98.3Very high74 Ų7440.7 Ų40.735%0.34621%0.21SC..  trans55.350.3178.3-60.2-72.6-35.200114.6A35 K36 Q135A35-Q39 WeakPolarHBondContact O-CA 3.41Å; A35-Q39 PolarHBondContact O-N 3.22Å; K36-Q39 PolarHBondContact O-NE2 2.95Å; Q39-Q135 WeakPolarHBondContact O-CA 3.49Å
40P98.5Very high98.3Very high1 Ų138.8 Ų38.81%0.00620%0.201CC..  trans-64.4154.1174.832.8-35.9000111.6K14 A35 I43 M134 R137 M139K14-P40 PolarHBondContact NZ-O 3.4Å; A35-P40 HydrophobicContact CB-CG 4.18Å; A35-P40 WeakPolarHBondContact O-CD 3.23Å; P40-I43 HydrophobicContact CG-CG1 4.28Å; P40-M134 WeakPolarHBondContact CA-O 3.2Å; P40-M134 HydrophobicContact CB-CB 4.09Å; P40-R137 WeakPolarHBondContact CA-O 3.34Å; P40-R137 WeakPolarHBondContact CB-O 3.38Å; P40-M139 HydrophobicContact CB-CB 3.7Å; P40-M139 HydrophobicContact CG-CB 3.79Å; P40-M139 HydrophobicContact CG-CE 4.08Å; P40-M139 HydrophobicContact CG-SD 4.41Å
41E98.3Very high98.3Very high132 Ų13244.1 Ų44.162%0.61723%0.226SC*.SBendtrans-74.2-43.5173.5-177.6169.5-170.900110.9G136 R137E41-G136 WeakPolarHBondContact OE2-CA 3.49Å; E41-R137 PolarHBondContact N-O 2.86Å
42S98.3Very high98.3Very high17 Ų1744.3 Ų44.312%0.11923%0.227CC..EExtended strand (participates in β ladder)trans-134.9160.6178.361.50000112.3K14 T138 M139K14-S42 CarbonylContact O-C 3.21Å; K14-S42 VanDerWaalsContact O-CA 3.28Å; K14-S42 WeakPolarHBondContact O-CA 3.31Å; S42-T138 CarbonylContact O-C 3.58Å; S42-T138 WeakPolarHBondContact O-CA 3.21Å; S42-T138 WeakPolarHBondContact OG-CB 3.3Å; S42-T138 WeakPolarHBondContact OG-CG2 3.5Å; S42-T138 PolarHBondContact OG-OG1 2.92Å; S42-M139 PolarHBondContact O-N 2.9Å
43I98.8Very high98.3Very high0 Ų041.2 Ų41.20%021%0.213CC..EExtended strand (participates in β ladder)trans-122.6129.8175.5-61.7172.2000108.6I11 K14 V15 I16 I31 A35 P40 M139 V141I11-I43 HydrophobicContact CB-CD1 4.26Å; I11-I43 HydrophobicContact CD1-CD1 3.64Å; K14-I43 PolarHBondContact O-N 3.4Å; V15-I43 CarbonylContact C-O 3.57Å; V15-I43 WeakPolarHBondContact CA-O 3.44Å; V15-I43 HydrophobicContact CG2-CB 4.33Å; I16-I43 WeakPolarHBondContact CG1-O 3.43Å; I16-I43 PolarHBondContact N-O 3.2Å; I31-I43 HydrophobicContact CG2-CD1 4.33Å; I31-I43 HydrophobicContact CG2-CG2 4.31Å; A35-I43 HydrophobicContact CB-CD1 3.86Å; P40-I43 HydrophobicContact CG-CG1 4.28Å; I43-M139 WeakPolarHBondContact CA-O 3.01Å; I43-M139 HydrophobicContact CG1-CB 4.49Å; I43-V141 HydrophobicContact CG2-CG2 3.92Å
44H98.8Very high98.4Very high17 Ų1741.5 Ų41.58%0.07921%0.207CC..EExtended strand (participates in β ladder)trans-121.6112.1179.5-177.6116.9000109.3I16 Q17 C46 E52 T138 M139 Y140 V141I16-H44 HydrophobicContact CD1-CB 4.34Å; I16-H44 HydrophobicContact CG1-CB 4.17Å; Q17-H44 VanDerWaalsContact CD-NE2 3.27Å; Q17-H44 PolarHBondContact NE2-NE2 3.12Å; Q17-H44 PolarHBondContact OE1-CE1 3.16Å; Q17-H44 PolarHBondContact OE1-NE2 2.98Å; H44-C46 PolarHBondContact O-N 3.22Å; H44-E52 IonicContact CD2-OE1 3.57Å; H44-E52 IonicContact CE1-OE1 2.74Å; H44-E52 IonicContact NE2-OE1 2.77Å; H44-E52 PolarHBondContact NE2-OE1 2.71Å; H44-T138 HydrophobicContact CB-CG2 3.67Å; H44-M139 PolarHBondContact N-O 2.89Å; H44-Y140 HydrophobicContact CB-CD1 3.65Å; H44-Y140 HydrophobicContact CB-CE1 3.95Å; H44-Y140 AromaticContact CD2-CD1 3.93Å; H44-Y140 AromaticContact CG-CD1 3.76Å; H44-Y140 AromaticContact CG-CE1 3.93Å; H44-Y140 CarbonylContact O-C 3.46Å; H44-Y140 WeakPolarHBondContact O-CA 3.22Å; H44-V141 PolarHBondContact O-N 3.48Å
45I98.7Very high98.4Very high10 Ų1045.4 Ų45.45%0.05122%0.224CC..EExtended strand (participates in β ladder)trans-87.1112.5176-57.6160.2000108.8V15 Q17 L23 V141 L181V15-I45 HydrophobicContact CG1-CD1 4.26Å; Q17-I45 PolarHBondContact NE2-O 2.88Å; Q17-I45 WeakPolarHBondContact O-CB 3.48Å; Q17-I45 PolarHBondContact O-N 3.16Å; L23-I45 HydrophobicContact CD1-CD1 3.87Å; L23-I45 HydrophobicContact CD1-CG1 4.49Å; L23-I45 HydrophobicContact CG-CD1 4.47Å; I45-V141 HydrophobicContact CG1-CB 4.3Å; I45-V141 HydrophobicContact CG1-CG2 4.17Å; I45-L181 HydrophobicContact CG2-CD1 4.44Å
46C98.8Very high98.4Very high1 Ų145.4 Ų45.41%0.00722%0.223CC..  trans-69.3132.1-174.2-630000111.9H44 E52 V141 M176H44-C46 PolarHBondContact O-N 3.22Å; C46-E52 WeakPolarHBondContact CA-OE1 3.13Å; C46-V141 VanDerWaalsContact CB-O 3.26Å; C46-V141 WeakPolarHBondContact CB-O 3.46Å; C46-V141 PolarHBondContact N-O 3.32Å; C46-V141 PolarHBondContact SG-O 3.34Å; C46-M176 HydrophobicContact CB-CE 4.26Å; C46-M176 HydrophobicContact CB-SD 3.71Å
47D98.4Very high98.4Very high62 Ų6239 Ų3933%0.33220%0.195SC..  trans-99.7-16.1177.672.211.7000113.5S49 E52 G177 T178D47-S49 VanDerWaalsContact C-N 3.29Å; D47-S49 WeakPolarHBondContact OD1-CB 3.47Å; D47-S49 PolarHBondContact OD1-N 2.84Å; D47-S49 PolarHBondContact OD1-OG 3.42Å; D47-S49 PolarHBondContact OD2-OG 3.34Å; D47-E52 PolarHBondContact N-OE1 3.18Å; D47-E52 PolarHBondContact N-OE2 2.99Å; D47-E52 WeakPolarHBondContact OD1-CB 3.49Å; D47-G177 VanDerWaalsContact O-CA 3.29Å; D47-G177 WeakPolarHBondContact O-CA 3.46Å; D47-T178 PolarHBondContact O-N 3.34Å; D47-T178 VanDerWaalsContact O-N 3.12Å
48G98Very high98.4Very high15 Ų1540.1 Ų40.116%0.15520%0.201CC..  trans81.61.2178.900000114.9E52 R171 M176G48-E52 PolarHBondContact N-OE2 2.79Å; G48-R171 PolarHBondContact O-NE 2.81Å; G48-R171 PolarHBondContact O-NH2 2.92Å; G48-M176 VanDerWaalsContact CA-SD 3.53Å
49S98.4Very high98.4Very high41 Ų4142.7 Ų42.729%0.28722%0.215SC..  trans-64.8159.8-177.869.70000112.6D47 E51 E52 N53D47-S49 VanDerWaalsContact C-N 3.29Å; D47-S49 WeakPolarHBondContact OD1-CB 3.47Å; D47-S49 PolarHBondContact OD1-N 2.84Å; D47-S49 PolarHBondContact OD1-OG 3.42Å; D47-S49 PolarHBondContact OD2-OG 3.34Å; S49-E51 VanDerWaalsContact C-N 3.3Å; S49-E52 VanDerWaalsContact OG-CB 3.3Å; S49-E52 WeakPolarHBondContact OG-CB 3.46Å; S49-E52 PolarHBondContact OG-N 2.87Å; S49-E52 VanDerWaalsContact OG-N 3.09Å; S49-N53 WeakPolarHBondContact O-CB 3.43Å; S49-N53 PolarHBondContact O-N 2.93Å; S49-N53 VanDerWaalsContact O-N 3.08Å
50E97.7Very high98.4Very high91 Ų9139.2 Ų39.243%0.42520%0.198SC..Hα-helixtrans-69-31.8174.1-165.958.1-130.800111.8N53 Q54 R171E50-N53 WeakPolarHBondContact O-CB 3.48Å; E50-N53 PolarHBondContact O-N 2.89Å; E50-N53 PolarHBondContact OE1-ND2 3.04Å; E50-Q54 PolarHBondContact O-N 3.02Å; E50-R171 IonicContact OE1-NH1 2.78Å; E50-R171 IonicContact OE2-CZ 2.71Å; E50-R171 IonicContact OE2-NH1 2.71Å; E50-R171 PolarHBondContact OE2-NH1 3.21Å; E50-R171 IonicContact OE2-NH2 3.19Å; E50-R171 PolarHBondContact OE2-NH2 2.82Å
51E98.3Very high98.4Very high128 Ų12842.1 Ų42.160%0.59822%0.216SC*.Hα-helixtrans-64.9-45.1176.2-171.9-173.1157.100111.3S49 Q54 K55S49-E51 VanDerWaalsContact C-N 3.3Å; E51-Q54 PolarHBondContact O-N 2.95Å; E51-K55 WeakPolarHBondContact O-CG 3.37Å; E51-K55 PolarHBondContact O-N 2.9Å; E51-K55 VanDerWaalsContact O-N 3.1Å; E51-K55 VanDerWaalsContact OE1-CE 3.3Å; E51-K55 WeakPolarHBondContact OE1-CE 3.29Å; E51-K55 IonicContact OE1-NZ 2.68Å; E51-K55 PolarHBondContact OE1-NZ 2.71Å
52E98.5Very high98.3Very high4 Ų443.8 Ų43.82%0.01922%0.224CC..Hα-helixtrans-57.7-49.6171.6170.8176.3-94.600111.1Q17 H44 C46 D47 G48 S49 Q54 K55 I56Q17-E52 PolarHBondContact NE2-OE1 3.08Å; H44-E52 IonicContact CD2-OE1 3.57Å; H44-E52 IonicContact CE1-OE1 2.74Å; H44-E52 IonicContact NE2-OE1 2.77Å; H44-E52 PolarHBondContact NE2-OE1 2.71Å; C46-E52 WeakPolarHBondContact CA-OE1 3.13Å; D47-E52 PolarHBondContact N-OE1 3.18Å; D47-E52 PolarHBondContact N-OE2 2.99Å; D47-E52 WeakPolarHBondContact OD1-CB 3.49Å; G48-E52 PolarHBondContact N-OE2 2.79Å; S49-E52 VanDerWaalsContact OG-CB 3.3Å; S49-E52 WeakPolarHBondContact OG-CB 3.46Å; S49-E52 PolarHBondContact OG-N 2.87Å; S49-E52 VanDerWaalsContact OG-N 3.09Å; E52-Q54 VanDerWaalsContact C-N 3.3Å; E52-Q54 PolarHBondContact O-N 3.16Å; E52-K55 PolarHBondContact O-N 3.47Å; E52-K55 VanDerWaalsContact O-N 3.16Å; E52-I56 HydrophobicContact CG-CG1 4.27Å; E52-I56 WeakPolarHBondContact O-CG1 3.5Å; E52-I56 PolarHBondContact O-N 3.43Å
53N98.3Very high98.2Very high12 Ų1247.8 Ų47.86%0.06424%0.241CC..Hα-helixtrans-55.8-46-179.7-176.657.5000111.8S49 E50 K55 I56 L57 R171S49-N53 WeakPolarHBondContact O-CB 3.43Å; S49-N53 PolarHBondContact O-N 2.93Å; S49-N53 VanDerWaalsContact O-N 3.08Å; E50-N53 WeakPolarHBondContact O-CB 3.48Å; E50-N53 PolarHBondContact O-N 2.89Å; E50-N53 PolarHBondContact OE1-ND2 3.04Å; N53-K55 PolarHBondContact O-N 3.44Å; N53-I56 PolarHBondContact O-N 2.65Å; N53-L57 VanDerWaalsContact O-CG 3.26Å; N53-L57 WeakPolarHBondContact O-CG 3.19Å; N53-L57 PolarHBondContact O-N 2.9Å; N53-R171 PolarHBondContact ND2-NH1 3.44Å
54Q98.3Very high98.2Very high65 Ų6549.5 Ų49.530%0.30426%0.259SS..Hα-helixtrans-62.3-44.3178.2-171.758.557.500111.7E50 E51 E52 I56 L57 D58E50-Q54 PolarHBondContact O-N 3.02Å; E51-Q54 PolarHBondContact O-N 2.95Å; E52-Q54 VanDerWaalsContact C-N 3.3Å; E52-Q54 PolarHBondContact O-N 3.16Å; Q54-I56 VanDerWaalsContact C-N 3.33Å; Q54-I56 PolarHBondContact O-N 3.18Å; Q54-L57 PolarHBondContact O-N 3.35Å; Q54-D58 PolarHBondContact NE2-OD1 3.46Å; Q54-D58 PolarHBondContact O-N 3.09Å
55K98.3Very high98.1Very high98 Ų9849.2 Ų49.243%0.42626%0.257SS..Hα-helixtrans-59.7-42.8176.1-71.1171.6-174.5165.80112.1E51 E52 N53 D58 I59E51-K55 WeakPolarHBondContact O-CG 3.37Å; E51-K55 PolarHBondContact O-N 2.9Å; E51-K55 VanDerWaalsContact O-N 3.1Å; E51-K55 VanDerWaalsContact OE1-CE 3.3Å; E51-K55 WeakPolarHBondContact OE1-CE 3.29Å; E51-K55 IonicContact OE1-NZ 2.68Å; E51-K55 PolarHBondContact OE1-NZ 2.71Å; E52-K55 PolarHBondContact O-N 3.47Å; E52-K55 VanDerWaalsContact O-N 3.16Å; N53-K55 PolarHBondContact O-N 3.44Å; K55-D58 PolarHBondContact O-N 3.32Å; K55-I59 WeakPolarHBondContact O-CD1 3.36Å; K55-I59 VanDerWaalsContact O-CG1 3.28Å; K55-I59 WeakPolarHBondContact O-CG1 3.48Å; K55-I59 PolarHBondContact O-N 3.33Å
56I98.6Very high98.1Very high4 Ų449.2 Ų49.22%0.02126%0.257CS..Hα-helixtrans-64.5-41.3177.5-67-64.4000111.2E52 N53 Q54 M60 Y140 P164 V167 A168E52-I56 HydrophobicContact CG-CG1 4.27Å; E52-I56 WeakPolarHBondContact O-CG1 3.5Å; E52-I56 PolarHBondContact O-N 3.43Å; N53-I56 PolarHBondContact O-N 2.65Å; Q54-I56 VanDerWaalsContact C-N 3.33Å; Q54-I56 PolarHBondContact O-N 3.18Å; I56-M60 HydrophobicContact CG2-CE 4Å; I56-M60 WeakPolarHBondContact O-CG 3.16Å; I56-M60 PolarHBondContact O-N 2.91Å; I56-M60 VanDerWaalsContact O-N 3.12Å; I56-Y140 HydrophobicContact CD1-CD1 4.22Å; I56-Y140 HydrophobicContact CD1-CE1 3.43Å; I56-Y140 VanDerWaalsContact CD1-CE1 3.43Å; I56-P164 HydrophobicContact CG2-CB 3.85Å; I56-P164 WeakPolarHBondContact CG2-O 3.33Å; I56-V167 HydrophobicContact CG1-CG1 4.35Å; I56-V167 HydrophobicContact CG2-CB 4.4Å; I56-V167 HydrophobicContact CG2-CG1 4.48Å; I56-A168 HydrophobicContact CG2-CB 4.32Å
57L98.7Very high98.1Very high3 Ų354.1 Ų54.12%0.01628%0.279CS..Hα-helixtrans-63-44.7174.6-69.3165.3000111.6N53 Q54 I59 M60 V61 I66 W76 A168N53-L57 VanDerWaalsContact O-CG 3.26Å; N53-L57 WeakPolarHBondContact O-CG 3.19Å; N53-L57 PolarHBondContact O-N 2.9Å; Q54-L57 PolarHBondContact O-N 3.35Å; L57-I59 PolarHBondContact O-N 2.66Å; L57-M60 HydrophobicContact CD2-CE 3.88Å; L57-M60 PolarHBondContact O-N 2.88Å; L57-V61 WeakPolarHBondContact O-CG2 3.28Å; L57-V61 PolarHBondContact O-N 3.43Å; L57-I66 HydrophobicContact CB-CD1 4.47Å; L57-I66 HydrophobicContact CD2-CD1 3.69Å; L57-W76 HydrophobicContact CB-CH2 4.29Å; L57-W76 HydrophobicContact CB-CZ2 4.05Å; L57-W76 HydrophobicContact CD1-CZ2 3.84Å; L57-W76 HydrophobicContact CD2-CD2 4Å; L57-W76 HydrophobicContact CD2-CG 3.97Å; L57-W76 HydrophobicContact CD2-CZ2 4.47Å; L57-W76 HydrophobicContact CG-CZ2 4.35Å; L57-A168 HydrophobicContact CD2-CB 4.45Å
58D98.4Very high98.1Very high67 Ų6756.7 Ų56.736%0.35829%0.287SS..Hα-helixtrans-62.1-44.6178.4-65.2-22.5000111.3Q54 K55 M60 V61 E62Q54-D58 PolarHBondContact NE2-OD1 3.46Å; Q54-D58 PolarHBondContact O-N 3.09Å; K55-D58 PolarHBondContact O-N 3.32Å; D58-M60 VanDerWaalsContact C-N 3.3Å; D58-M60 PolarHBondContact O-N 2.84Å; D58-V61 WeakPolarHBondContact O-CB 3.35Å; D58-V61 PolarHBondContact O-N 3.09Å; D58-V61 VanDerWaalsContact O-N 3.12Å; D58-E62 WeakPolarHBondContact O-CG 3.45Å; D58-E62 PolarHBondContact O-N 2.92Å
59I97.8Very high98.1Very high54 Ų5456 Ų5628%0.27728%0.28SS..Hα-helixtrans-55.9-44.9173.7-72.6159.9000111.1K55 L57 V61 E62 Q63K55-I59 WeakPolarHBondContact O-CD1 3.36Å; K55-I59 VanDerWaalsContact O-CG1 3.28Å; K55-I59 WeakPolarHBondContact O-CG1 3.48Å; K55-I59 PolarHBondContact O-N 3.33Å; L57-I59 PolarHBondContact O-N 2.66Å; I59-V61 VanDerWaalsContact C-N 3.33Å; I59-V61 PolarHBondContact O-N 3.14Å; I59-E62 PolarHBondContact O-N 3.37Å; I59-Q63 HydrophobicContact CG2-CG 4.49Å; I59-Q63 WeakPolarHBondContact O-CB 3.26Å; I59-Q63 VanDerWaalsContact O-CG 3.23Å; I59-Q63 WeakPolarHBondContact O-CG 3.37Å; I59-Q63 PolarHBondContact O-N 3.27Å
60M98.6Very high98.1Very high1 Ų158.6 Ų58.61%0.00530%0.298CS..Hα-helixtrans-67.6-33.3179.4-73.9-167.4-80.800113I56 L57 D58 G64 M65 I66 P164 Y165 A168I56-M60 HydrophobicContact CG2-CE 4Å; I56-M60 WeakPolarHBondContact O-CG 3.16Å; I56-M60 PolarHBondContact O-N 2.91Å; I56-M60 VanDerWaalsContact O-N 3.12Å; L57-M60 HydrophobicContact CD2-CE 3.88Å; L57-M60 PolarHBondContact O-N 2.88Å; D58-M60 VanDerWaalsContact C-N 3.3Å; D58-M60 PolarHBondContact O-N 2.84Å; M60-G64 PolarHBondContact O-N 3.22Å; M60-M65 HydrophobicContact CB-CB 4.31Å; M60-M65 HydrophobicContact CG-SD 4.06Å; M60-M65 PolarHBondContact O-N 2.82Å; M60-M65 HydrophobicContact SD-SD 3.93Å; M60-I66 HydrophobicContact CB-CB 4.4Å; M60-I66 HydrophobicContact CB-CD1 3.63Å; M60-I66 HydrophobicContact CB-CG1 3.61Å; M60-I66 HydrophobicContact CB-CG2 4.14Å; M60-I66 HydrophobicContact CE-CD1 3.83Å; M60-I66 PolarHBondContact O-N 3.19Å; M60-I66 HydrophobicContact SD-CD1 4.27Å; M60-I66 HydrophobicContact SD-CG2 3.9Å; M60-P164 HydrophobicContact CG-CB 3.72Å; M60-P164 HydrophobicContact CG-CG 3.63Å; M60-P164 HydrophobicContact SD-CB 4.16Å; M60-P164 HydrophobicContact SD-CG 4.25Å; M60-Y165 WeakPolarHBondContact SD-CA 3.37Å; M60-Y165 PolarHBondContact SD-N 3.05Å; M60-A168 HydrophobicContact CE-CB 3.7Å
61V98.5Very high98.1Very high63 Ų6359 Ų5938%0.38230%0.298SS..Hα-helixtrans-67.8-46.6174172.50000110.5L57 D58 I59 Q63 G64 I66 W76L57-V61 WeakPolarHBondContact O-CG2 3.28Å; L57-V61 PolarHBondContact O-N 3.43Å; D58-V61 WeakPolarHBondContact O-CB 3.35Å; D58-V61 PolarHBondContact O-N 3.09Å; D58-V61 VanDerWaalsContact O-N 3.12Å; I59-V61 VanDerWaalsContact C-N 3.33Å; I59-V61 PolarHBondContact O-N 3.14Å; V61-Q63 PolarHBondContact O-N 2.91Å; V61-G64 WeakPolarHBondContact O-CA 3.3Å; V61-G64 PolarHBondContact O-N 3.42Å; V61-I66 HydrophobicContact CG2-CD1 4.22Å; V61-I66 HydrophobicContact CG2-CG1 3.78Å; V61-W76 HydrophobicContact CG2-CE3 4.06Å; V61-W76 HydrophobicContact CG2-CH2 4.42Å; V61-W76 HydrophobicContact CG2-CZ3 3.51Å
62E97.6Very high98.1Very high166 Ų16654.9 Ų54.978%0.77628%0.277SS*.Hα-helixtrans-59.8-36.7177.5-72.7177.4178.600111.9D58 I59 G64D58-E62 WeakPolarHBondContact O-CG 3.45Å; D58-E62 PolarHBondContact O-N 2.92Å; I59-E62 PolarHBondContact O-N 3.37Å; E62-G64 PolarHBondContact O-N 2.85Å
63Q95.9Very high98.1Very high101 Ų10160.8 Ų60.847%0.47231%0.305SS..THydrogen-bonded Turntrans-77.5-6.5174.9-69.1175.46.300113.7I59 V61 M65I59-Q63 HydrophobicContact CG2-CG 4.49Å; I59-Q63 WeakPolarHBondContact O-CB 3.26Å; I59-Q63 VanDerWaalsContact O-CG 3.23Å; I59-Q63 WeakPolarHBondContact O-CG 3.37Å; I59-Q63 PolarHBondContact O-N 3.27Å; V61-Q63 PolarHBondContact O-N 2.91Å; Q63-M65 PolarHBondContact O-N 2.81Å
64G97.4Very high98.1Very high37 Ų3761.7 Ų61.738%0.38131%0.31SS..THydrogen-bonded Turntrans66.320-17600000114.2M60 V61 E62 N209M60-G64 PolarHBondContact O-N 3.22Å; V61-G64 WeakPolarHBondContact O-CA 3.3Å; V61-G64 PolarHBondContact O-N 3.42Å; E62-G64 PolarHBondContact O-N 2.85Å; G64-N209 WeakPolarHBondContact O-CB 3.33Å; G64-N209 PolarHBondContact O-ND2 3.49Å; G64-N209 VanDerWaalsContact O-ND2 3.09Å
65M98Very high98.1Very high10 Ų1058.6 Ų58.65%0.04930%0.295CS..SBendtrans-78-35.5177.6-179.4179.4-66.800111.6M60 Q63 P164 W210 P211M60-M65 HydrophobicContact CB-CB 4.31Å; M60-M65 HydrophobicContact CG-SD 4.06Å; M60-M65 PolarHBondContact O-N 2.82Å; M60-M65 HydrophobicContact SD-SD 3.93Å; Q63-M65 PolarHBondContact O-N 2.81Å; M65-P164 HydrophobicContact CE-CG 4.49Å; M65-P164 HydrophobicContact SD-CG 4.3Å; M65-W210 HydrophobicContact CG-CE3 4.47Å; M65-P211 HydrophobicContact CE-CG 4.11Å
66I98.6Very high98.1Very high10 Ų1054.2 Ų54.25%0.05128%0.276CS..EExtended strand (participates in β ladder)trans-128.7158.9175.673.9-178.8000111.2L57 M60 V61 W76 L77 A78L57-I66 HydrophobicContact CB-CD1 4.47Å; L57-I66 HydrophobicContact CD2-CD1 3.69Å; M60-I66 HydrophobicContact CB-CB 4.4Å; M60-I66 HydrophobicContact CB-CD1 3.63Å; M60-I66 HydrophobicContact CB-CG1 3.61Å; M60-I66 HydrophobicContact CB-CG2 4.14Å; M60-I66 HydrophobicContact CE-CD1 3.83Å; M60-I66 PolarHBondContact O-N 3.19Å; M60-I66 HydrophobicContact SD-CD1 4.27Å; M60-I66 HydrophobicContact SD-CG2 3.9Å; V61-I66 HydrophobicContact CG2-CD1 4.22Å; V61-I66 HydrophobicContact CG2-CG1 3.78Å; I66-W76 HydrophobicContact CD1-CB 4.2Å; I66-W76 HydrophobicContact CD1-CD2 4.05Å; I66-W76 HydrophobicContact CD1-CE3 3.79Å; I66-W76 HydrophobicContact CD1-CG 4.23Å; I66-W76 HydrophobicContact CG1-CE3 4.22Å; I66-L77 CarbonylContact C-O 3.53Å; I66-L77 VanDerWaalsContact CA-O 3.26Å; I66-L77 WeakPolarHBondContact CA-O 3.44Å; I66-A78 HydrophobicContact CG2-CB 4.06Å
67K98.3Very high98.1Very high104 Ų10454.3 Ų54.345%0.45228%0.277SS..EExtended strand (participates in β ladder)trans-121.4141172.5-170.6-178.3-173.8-170.30110.4W76 L77 E362K67-W76 CarbonylContact O-C 3.57Å; K67-W76 VanDerWaalsContact O-CA 3.29Å; K67-W76 WeakPolarHBondContact O-CA 3.5Å; K67-L77 PolarHBondContact N-O 2.92Å; K67-L77 PolarHBondContact O-N 2.82Å; K67-E362 WeakPolarHBondContact CD-OE1 3.48Å; K67-E362 WeakPolarHBondContact CD-OE2 3.37Å; K67-E362 VanDerWaalsContact CE-OE1 3.22Å; K67-E362 WeakPolarHBondContact CE-OE1 3.43Å; K67-E362 IonicContact NZ-OE1 3.11Å; K67-E362 PolarHBondContact NZ-OE1 2.74Å; K67-E362 IonicContact NZ-OE2 3.89Å; K67-E362 PolarHBondContact NZ-OE2 3.24Å
68K98.4Very high98.1Very high117 Ų11754.2 Ų54.251%0.50928%0.276SS..EExtended strand (participates in β ladder)trans-73.8132.5171-164.5170.2-175.7169.90110.6S70 W76K68-S70 PolarHBondContact O-N 3.5Å; K68-W76 HydrophobicContact CB-CE3 3.8Å; K68-W76 HydrophobicContact CB-CH2 4.26Å; K68-W76 HydrophobicContact CB-CZ3 3.5Å; K68-W76 VanDerWaalsContact CB-CZ3 3.5Å; K68-W76 HydrophobicContact CD-CH2 3.87Å; K68-W76 HydrophobicContact CD-CZ3 3.98Å; K68-W76 HydrophobicContact CG-CE3 4.07Å; K68-W76 HydrophobicContact CG-CH2 4.01Å; K68-W76 HydrophobicContact CG-CZ3 3.71Å
69L98.5Very high98.2Very high0 Ų052.3 Ų52.30%027%0.266CS..  trans-90.898.3174.2-68.7167.7000109.4K71 Y72 C75 L77 F357 E362 G366 I368L69-K71 PolarHBondContact O-N 3.05Å; L69-K71 VanDerWaalsContact O-N 3.16Å; L69-Y72 HydrophobicContact CB-CD2 4Å; L69-Y72 HydrophobicContact CD1-CD2 4.25Å; L69-Y72 PolarHBondContact O-N 3.01Å; L69-C75 HydrophobicContact CB-CB 4.15Å; L69-C75 HydrophobicContact CD1-CB 4.09Å; L69-C75 PolarHBondContact N-O 2.76Å; L69-L77 HydrophobicContact CD1-CB 4.24Å; L69-L77 HydrophobicContact CD2-CB 4.1Å; L69-L77 HydrophobicContact CD2-CD2 4.42Å; L69-L77 HydrophobicContact CG-CB 4.12Å; L69-F357 HydrophobicContact CD1-CD2 3.59Å; L69-F357 HydrophobicContact CD1-CE2 4.07Å; L69-F357 HydrophobicContact CD1-CG 4.42Å; L69-E362 HydrophobicContact CD2-CG 4.28Å; L69-G366 CarbonylContact C-O 3.57Å; L69-G366 WeakPolarHBondContact CA-O 3.45Å; L69-G366 WeakPolarHBondContact CB-O 3.44Å; L69-I368 HydrophobicContact CD1-CG2 3.55Å; L69-I368 HydrophobicContact CD2-CG2 4.02Å; L69-I368 HydrophobicContact CG-CG2 4.44Å
70S97.7Very high98.2Very high96 Ų9649.8 Ų49.867%0.67125%0.253SS*.THydrogen-bonded Turntrans-66.5-16.7-171.4560000114.9K68 Y72 G366K68-S70 PolarHBondContact O-N 3.5Å; S70-Y72 VanDerWaalsContact C-N 3.26Å; S70-Y72 PolarHBondContact O-N 3.22Å; S70-G366 PolarHBondContact N-O 3.03Å
71K97.6Very high98.2Very high99 Ų9949.9 Ų49.943%0.4325%0.254SS..THydrogen-bonded Turntrans-74.7-17.3177.9-167.2171.1-175.4165.60113L69 D365 G366L69-K71 PolarHBondContact O-N 3.05Å; L69-K71 VanDerWaalsContact O-N 3.16Å; K71-D365 WeakPolarHBondContact CE-OD2 3.35Å; K71-D365 IonicContact NZ-OD1 3.96Å; K71-D365 IonicContact NZ-OD2 3.64Å; K71-D365 PolarHBondContact NZ-OD2 3.06Å; K71-G366 VanDerWaalsContact CB-O 3.31Å; K71-G366 WeakPolarHBondContact CB-O 3.21Å; K71-G366 PolarHBondContact N-O 2.94Å; K71-G366 VanDerWaalsContact N-O 3.16Å
72Y98Very high98.1Very high41 Ų4149.6 Ų49.616%0.16125%0.253CS..SBendtrans-126.9164.9-170.2-50.9-48.4000112.1L69 S70 N74 C75 F352 I368L69-Y72 HydrophobicContact CB-CD2 4Å; L69-Y72 HydrophobicContact CD1-CD2 4.25Å; L69-Y72 PolarHBondContact O-N 3.01Å; S70-Y72 VanDerWaalsContact C-N 3.26Å; S70-Y72 PolarHBondContact O-N 3.22Å; Y72-N74 PolarHBondContact O-N 3.34Å; Y72-C75 HydrophobicContact CD2-CB 4.28Å; Y72-F352 HydrophobicContact CD1-CB 4.24Å; Y72-F352 AromaticContact CD1-CD1 3.66Å; Y72-F352 HydrophobicContact CD1-CD1 3.66Å; Y72-F352 HydrophobicContact CD1-CE1 4.34Å; Y72-F352 HydrophobicContact CD1-CG 4.18Å; Y72-F352 HydrophobicContact CD2-CD1 4.4Å; Y72-F352 AromaticContact CE1-CD1 3.42Å; Y72-F352 HydrophobicContact CE1-CD1 3.42Å; Y72-F352 VanDerWaalsContact CE1-CD1 3.42Å; Y72-F352 AromaticContact CE1-CE1 3.63Å; Y72-F352 HydrophobicContact CE1-CE1 3.63Å; Y72-F352 HydrophobicContact CE1-CG 4.19Å; Y72-F352 HydrophobicContact CE2-CD1 4.18Å; Y72-F352 HydrophobicContact CE2-CE1 4.32Å; Y72-F352 HydrophobicContact CG-CD1 4.16Å; Y72-F352 AromaticContact CZ-CD1 3.7Å; Y72-F352 AromaticContact CZ-CE1 3.61Å; Y72-I368 HydrophobicContact CE2-CB 4.47Å; Y72-I368 HydrophobicContact CE2-CG1 3.93Å; Y72-I368 HydrophobicContact CE2-CG2 4.22Å; Y72-I368 PolarHBondContact OH-N 3.48Å
73E98.1Very high98.1Very high129 Ų12946.8 Ų46.860%0.60324%0.235SC*.BIsolated β-bridgetrans-85.4111.9-178-174.3-175.7173.800110.9C75 F352 K353 N354E73-C75 VanDerWaalsContact C-N 3.26Å; E73-C75 PolarHBondContact O-N 3.05Å; E73-F352 PolarHBondContact N-O 3.14Å; E73-K353 HydrophobicContact CB-CB 3.98Å; E73-K353 CarbonylContact O-C 3.13Å; E73-K353 WeakPolarHBondContact O-CA 3.41Å; E73-N354 PolarHBondContact O-N 3.13Å
74N98.3Very high98.2Very high30 Ų3042.1 Ų42.116%0.1621%0.213CC..SBendtrans53.142177-168.527.1000113.5Y72 W76 N354 T355Y72-N74 PolarHBondContact O-N 3.34Å; N74-W76 PolarHBondContact O-NE1 3.38Å; N74-W76 WeakPolarHBondContact OD1-CZ2 3.48Å; N74-W76 PolarHBondContact OD1-NE1 2.66Å; N74-N354 WeakPolarHBondContact CB-OD1 3.46Å; N74-N354 PolarHBondContact ND2-OD1 2.79Å; N74-N354 VanDerWaalsContact O-CA 3.24Å; N74-N354 WeakPolarHBondContact O-CA 3.33Å; N74-N354 PolarHBondContact O-N 2.82Å; N74-T355 PolarHBondContact O-N 2.99Å
75C98.8Very high98.2Very high0 Ų041.4 Ų41.40%020%0.201CC..  trans-106.1149.6174.6-65.50000111.9L69 Y72 E73 T355 F357L69-C75 HydrophobicContact CB-CB 4.15Å; L69-C75 HydrophobicContact CD1-CB 4.09Å; L69-C75 PolarHBondContact N-O 2.76Å; Y72-C75 HydrophobicContact CD2-CB 4.28Å; E73-C75 VanDerWaalsContact C-N 3.26Å; E73-C75 PolarHBondContact O-N 3.05Å; C75-T355 CarbonylContact C-O 3.57Å; C75-T355 WeakPolarHBondContact CA-O 3.46Å; C75-F357 HydrophobicContact CB-CE2 4.24Å
76W98.9Very high97.9Very high7 Ų741.5 Ų41.53%0.02720%0.204CC..EExtended strand (participates in β ladder)trans-136.3151.6-170.5-50.691.9000110.8L57 V61 I66 K67 K68 N74 T355 I356 F357L57-W76 HydrophobicContact CB-CH2 4.29Å; L57-W76 HydrophobicContact CB-CZ2 4.05Å; L57-W76 HydrophobicContact CD1-CZ2 3.84Å; L57-W76 HydrophobicContact CD2-CD2 4Å; L57-W76 HydrophobicContact CD2-CG 3.97Å; L57-W76 HydrophobicContact CD2-CZ2 4.47Å; L57-W76 HydrophobicContact CG-CZ2 4.35Å; V61-W76 HydrophobicContact CG2-CE3 4.06Å; V61-W76 HydrophobicContact CG2-CH2 4.42Å; V61-W76 HydrophobicContact CG2-CZ3 3.51Å; I66-W76 HydrophobicContact CD1-CB 4.2Å; I66-W76 HydrophobicContact CD1-CD2 4.05Å; I66-W76 HydrophobicContact CD1-CE3 3.79Å; I66-W76 HydrophobicContact CD1-CG 4.23Å; I66-W76 HydrophobicContact CG1-CE3 4.22Å; K67-W76 CarbonylContact O-C 3.57Å; K67-W76 VanDerWaalsContact O-CA 3.29Å; K67-W76 WeakPolarHBondContact O-CA 3.5Å; K68-W76 HydrophobicContact CB-CE3 3.8Å; K68-W76 HydrophobicContact CB-CH2 4.26Å; K68-W76 HydrophobicContact CB-CZ3 3.5Å; K68-W76 VanDerWaalsContact CB-CZ3 3.5Å; K68-W76 HydrophobicContact CD-CH2 3.87Å; K68-W76 HydrophobicContact CD-CZ3 3.98Å; K68-W76 HydrophobicContact CG-CE3 4.07Å; K68-W76 HydrophobicContact CG-CH2 4.01Å; K68-W76 HydrophobicContact CG-CZ3 3.71Å; N74-W76 PolarHBondContact O-NE1 3.38Å; N74-W76 WeakPolarHBondContact OD1-CZ2 3.48Å; N74-W76 PolarHBondContact OD1-NE1 2.66Å; W76-T355 PolarHBondContact N-O 2.85Å; W76-I356 HydrophobicContact CB-CG1 4.42Å; W76-F357 PolarHBondContact O-N 2.83Å
77L98.9Very high97.6Very high6 Ų641.8 Ų41.83%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-124.4123.2177.8177.261000110.1I66 K67 L69 L79 F357 V360 E362I66-L77 CarbonylContact C-O 3.53Å; I66-L77 VanDerWaalsContact CA-O 3.26Å; I66-L77 WeakPolarHBondContact CA-O 3.44Å; K67-L77 PolarHBondContact N-O 2.92Å; K67-L77 PolarHBondContact O-N 2.82Å; L69-L77 HydrophobicContact CD1-CB 4.24Å; L69-L77 HydrophobicContact CD2-CB 4.1Å; L69-L77 HydrophobicContact CD2-CD2 4.42Å; L69-L77 HydrophobicContact CG-CB 4.12Å; L77-L79 HydrophobicContact CD1-CD2 3.96Å; L77-L79 HydrophobicContact CD2-CD2 4.3Å; L77-L79 HydrophobicContact CG-CD2 4.11Å; L77-L79 HydrophobicContact CG-CG 4.38Å; L77-F357 CarbonylContact C-O 3.51Å; L77-F357 WeakPolarHBondContact CA-O 3.22Å; L77-F357 HydrophobicContact CD1-CB 4.09Å; L77-V360 HydrophobicContact CD1-CG2 3.5Å; L77-E362 HydrophobicContact CD2-CB 3.84Å; L77-E362 HydrophobicContact CD2-CG 4.31Å
78A98.8Very high97.3Very high0 Ų038.3 Ų38.30%019%0.191CC..EExtended strand (participates in β ladder)trans-106.9134.8168.100000110I66 Y165 W210 F357 T358 N359I66-A78 HydrophobicContact CG2-CB 4.06Å; A78-Y165 HydrophobicContact CB-CD2 4.07Å; A78-Y165 HydrophobicContact CB-CE2 3.74Å; A78-W210 HydrophobicContact CB-CZ3 4.31Å; A78-F357 PolarHBondContact N-O 2.84Å; A78-T358 HydrophobicContact CB-CG2 4.39Å; A78-T358 VanDerWaalsContact O-CA 3.32Å; A78-T358 WeakPolarHBondContact O-CA 3.43Å; A78-N359 PolarHBondContact O-N 3.38Å
79L98.7Very high97.1Very high28 Ų2834.5 Ų34.515%0.14718%0.175CC..  trans-117116.3172.4-60.1-175.5000108.6L77 N208 N359 W386 N388L77-L79 HydrophobicContact CD1-CD2 3.96Å; L77-L79 HydrophobicContact CD2-CD2 4.3Å; L77-L79 HydrophobicContact CG-CD2 4.11Å; L77-L79 HydrophobicContact CG-CG 4.38Å; L79-N208 WeakPolarHBondContact O-CB 3.34Å; L79-N359 WeakPolarHBondContact CA-OD1 3.36Å; L79-W386 HydrophobicContact CD2-CB 4.22Å; L79-N388 HydrophobicContact CD1-CB 4.04Å
80T98.6Very high96.9Very high0 Ų037 Ų370%019%0.192CC..  trans-84.6171.8-171.672.40000112.2D84 N208 W210 T358 N359T80-D84 PolarHBondContact OG1-O 3.1Å; T80-N208 PolarHBondContact O-ND2 3.28Å; T80-W210 HydrophobicContact CG2-CD2 3.75Å; T80-W210 HydrophobicContact CG2-CE3 3.95Å; T80-W210 HydrophobicContact CG2-CG 4.4Å; T80-W210 HydrophobicContact CG2-CH2 3.81Å; T80-W210 HydrophobicContact CG2-CZ2 3.57Å; T80-W210 HydrophobicContact CG2-CZ3 4Å; T80-T358 HydrophobicContact CG2-CG2 3.64Å; T80-N359 PolarHBondContact N-OD1 3.07Å; T80-N359 PolarHBondContact OG1-ND2 3.18Å; T80-N359 PolarHBondContact OG1-OD1 3.42Å
81D98.4Very high96.9Very high4 Ų435.3 Ų35.32%0.02117%0.172CC..  trans-60.5131.3157.8-172.7-48.4000108.5R83 D84 I207 W210 C212D81-R83 PolarHBondContact O-N 3.39Å; D81-R83 VanDerWaalsContact OD1-CB 3.27Å; D81-R83 WeakPolarHBondContact OD1-CB 3.47Å; D81-R83 WeakPolarHBondContact OD1-CG 3.39Å; D81-R83 PolarHBondContact OD1-N 3.33Å; D81-R83 IonicContact OD1-NE 3.99Å; D81-R83 PolarHBondContact OD1-NE 3.46Å; D81-R83 VanDerWaalsContact OD1-NE 3.09Å; D81-R83 IonicContact OD1-NH2 3.84Å; D81-R83 IonicContact OD2-CZ 3.83Å; D81-R83 IonicContact OD2-NE 2.83Å; D81-R83 PolarHBondContact OD2-NE 3.2Å; D81-R83 IonicContact OD2-NH2 3.73Å; D81-R83 PolarHBondContact OD2-NH2 3.33Å; D81-D84 PolarHBondContact O-N 2.93Å; D81-I207 HydrophobicContact CB-CB 4.36Å; D81-I207 WeakPolarHBondContact OD2-CB 3.45Å; D81-I207 WeakPolarHBondContact OD2-CD1 3.49Å; D81-W210 HydrophobicContact CB-CB 4.43Å; D81-W210 HydrophobicContact CB-CG 4.49Å; D81-C212 VanDerWaalsContact CB-SG 3.53Å
82P97.4Very high97Very high56 Ų5631.2 Ų31.236%0.36416%0.156SC..THydrogen-bonded Turntrans-58-16.4178-27.236.3000115.4D84 V85 W386P82-D84 VanDerWaalsContact C-N 3.35Å; P82-V85 WeakPolarHBondContact O-CG1 3.32Å; P82-W386 HydrophobicContact CB-CH2 3.91Å; P82-W386 HydrophobicContact CB-CZ3 4.16Å; P82-W386 HydrophobicContact CG-CH2 4.29Å; P82-W386 HydrophobicContact CG-CZ3 4.22Å
83R97.3Very high97Very high108 Ų10829.4 Ų29.441%0.40815%0.149SC..THydrogen-bonded Turntrans-81.2-14.1174.5-60.7173.7-70.1171.8-2.3112.9D81 P214 E215D81-R83 PolarHBondContact O-N 3.39Å; D81-R83 VanDerWaalsContact OD1-CB 3.27Å; D81-R83 WeakPolarHBondContact OD1-CB 3.47Å; D81-R83 WeakPolarHBondContact OD1-CG 3.39Å; D81-R83 PolarHBondContact OD1-N 3.33Å; D81-R83 IonicContact OD1-NE 3.99Å; D81-R83 PolarHBondContact OD1-NE 3.46Å; D81-R83 VanDerWaalsContact OD1-NE 3.09Å; D81-R83 IonicContact OD1-NH2 3.84Å; D81-R83 IonicContact OD2-CZ 3.83Å; D81-R83 IonicContact OD2-NE 2.83Å; D81-R83 PolarHBondContact OD2-NE 3.2Å; D81-R83 IonicContact OD2-NH2 3.73Å; D81-R83 PolarHBondContact OD2-NH2 3.33Å; R83-P214 HydrophobicContact CB-CB 3.93Å; R83-P214 HydrophobicContact CB-CG 3.6Å; R83-P214 HydrophobicContact CG-CG 4.44Å; R83-E215 IonicContact NH1-OE1 2.66Å; R83-E215 PolarHBondContact NH1-OE1 2.77Å
84D97.9Very high97.1Very high3 Ų323.6 Ų23.62%0.01612%0.122CC..SBendtrans-123.166.8-175.9-17029.8000111.9T80 D81 P82 W210 C212 S233 G234 Y235T80-D84 PolarHBondContact OG1-O 3.1Å; D81-D84 PolarHBondContact O-N 2.93Å; P82-D84 VanDerWaalsContact C-N 3.35Å; D84-W210 PolarHBondContact OD2-NE1 2.97Å; D84-C212 HydrophobicContact CB-CB 3.99Å; D84-S233 WeakPolarHBondContact OD1-CB 3.33Å; D84-S233 PolarHBondContact OD1-OG 3.13Å; D84-G234 PolarHBondContact OD2-N 2.95Å; D84-Y235 WeakPolarHBondContact OD1-CB 3.44Å; D84-Y235 PolarHBondContact OD2-N 2.91Å
85V96.3Very high97.1Very high21 Ų2122.4 Ų22.413%0.12712%0.116CC..SBendtrans-124.7-5.8-167.9-64.80000114.9P82 Y235 W386 H401 N403P82-V85 WeakPolarHBondContact O-CG1 3.32Å; V85-Y235 VanDerWaalsContact O-CE2 3.27Å; V85-Y235 WeakPolarHBondContact O-CE2 3.3Å; V85-W386 HydrophobicContact CG1-CH2 4.18Å; V85-W386 HydrophobicContact CG1-CZ3 3.87Å; V85-H401 WeakPolarHBondContact CG2-NE2 3.47Å; V85-N403 PolarHBondContact O-ND2 3.45Å
86A93.4Very high97.1Very high13 Ų1322.6 Ų22.611%0.10712%0.117CC..SBendtrans-157.5173.6-174.600000111.5Y235 N238A86-Y235 VanDerWaalsContact C-CD1 3.42Å; A86-Y235 VanDerWaalsContact C-CE1 3.45Å; A86-Y235 VanDerWaalsContact CA-CE1 3.45Å; A86-Y235 WeakPolarHBondContact O-CD1 3.47Å; A86-N238 PolarHBondContact O-ND2 3.05Å; A86-N238 VanDerWaalsContact O-ND2 3.09Å
87R91.6Very high97Very high15 Ų1526.2 Ų26.26%0.05714%0.141CC..  trans-68.7148.7167.6-68.6174.3-63.2132.49.9109.7Y235 N238 S286 A467 A468R87-Y235 HydrophobicContact CG-CE1 4.44Å; R87-N238 WeakPolarHBondContact CA-OD1 3.49Å; R87-S286 PolarHBondContact NH2-OG 2.81Å; R87-A467 PolarHBondContact NE-O 3.02Å; R87-A467 PolarHBondContact NH2-O 3.22Å; R87-A468 WeakPolarHBondContact O-CA 3.42Å
88I92.6Very high97Very high32 Ų3231.7 Ų31.716%0.16417%0.167CC..  trans-118.890.8176.8-49.8173.2000108S90 K91 T92 T217 E469I88-S90 WeakPolarHBondContact CG2-OG 3.44Å; I88-S90 PolarHBondContact O-N 3.29Å; I88-K91 HydrophobicContact CB-CB 4.16Å; I88-K91 HydrophobicContact CB-CG 4.48Å; I88-K91 HydrophobicContact CD1-CD 4.28Å; I88-K91 HydrophobicContact CG2-CB 3.86Å; I88-K91 HydrophobicContact CG2-CD 3.89Å; I88-K91 HydrophobicContact CG2-CG 3.71Å; I88-K91 CarbonylContact O-C 3Å; I88-K91 PolarHBondContact O-N 3.44Å; I88-T92 PolarHBondContact O-N 3.32Å; I88-T92 VanDerWaalsContact O-N 3.17Å; I88-T92 PolarHBondContact O-OG1 3.09Å; I88-T217 HydrophobicContact CD1-CG2 4.14Å; I88-E469 VanDerWaalsContact CA-OE2 3.28Å; I88-E469 WeakPolarHBondContact CA-OE2 3.24Å
89E92.6Very high97Very high37 Ų3735.3 Ų35.317%0.17318%0.184CC..G310 helixtrans-57.5-38.8-176.6-69.6179.5-167.700110.9K91 T92 A468 E469 H470 R483 P484E89-K91 PolarHBondContact O-N 3.34Å; E89-T92 PolarHBondContact O-N 3.14Å; E89-T92 VanDerWaalsContact O-N 3.15Å; E89-A468 HydrophobicContact CG-CB 4.15Å; E89-A468 WeakPolarHBondContact OE1-CB 3.06Å; E89-E469 PolarHBondContact N-OE1 2.97Å; E89-E469 PolarHBondContact N-OE2 2.81Å; E89-H470 IonicContact OE1-CD2 2.65Å; E89-H470 IonicContact OE1-NE2 3.86Å; E89-H470 IonicContact OE2-CD2 3.24Å; E89-H470 IonicContact OE2-CE1 3.78Å; E89-H470 IonicContact OE2-NE2 2.81Å; E89-H470 PolarHBondContact OE2-NE2 3.43Å; E89-R483 IonicContact OE1-NH2 3.41Å; E89-R483 IonicContact OE2-NE 2.8Å; E89-R483 IonicContact OE2-NH2 3.57Å; E89-P484 HydrophobicContact CG-CB 3.98Å; E89-P484 WeakPolarHBondContact OE1-CB 3.28Å
90S95.5Very high97Very high52 Ų5239 Ų3936%0.36420%0.196SC..G310 helixtrans-64.8-21.3175.656.30000114.2I88 R115 E469I88-S90 WeakPolarHBondContact CG2-OG 3.44Å; I88-S90 PolarHBondContact O-N 3.29Å; S90-R115 WeakPolarHBondContact O-CD 3.47Å; S90-R115 PolarHBondContact O-NE 3.13Å; S90-R115 PolarHBondContact O-NH1 2.78Å; S90-E469 WeakPolarHBondContact CB-OE1 3.35Å; S90-E469 PolarHBondContact N-OE1 3.24Å; S90-E469 PolarHBondContact OG-OE1 3.04Å
91K97.8Very high97Very high60 Ų6042.1 Ų42.126%0.26121%0.212SC..G310 helixtrans-106.99.9176.5-63.6-177.6171.2-151.30112.7I88 E89 P214 E215 T217 I219I88-K91 HydrophobicContact CB-CB 4.16Å; I88-K91 HydrophobicContact CB-CG 4.48Å; I88-K91 HydrophobicContact CD1-CD 4.28Å; I88-K91 HydrophobicContact CG2-CB 3.86Å; I88-K91 HydrophobicContact CG2-CD 3.89Å; I88-K91 HydrophobicContact CG2-CG 3.71Å; I88-K91 CarbonylContact O-C 3Å; I88-K91 PolarHBondContact O-N 3.44Å; E89-K91 PolarHBondContact O-N 3.34Å; K91-P214 PolarHBondContact NZ-O 3.04Å; K91-E215 PolarHBondContact NZ-O 3.05Å; K91-T217 HydrophobicContact CD-CG2 4.25Å; K91-T217 WeakPolarHBondContact CD-O 3.42Å; K91-I219 PolarHBondContact O-N 2.95Å
92T98.6Very high97Very high13 Ų1342 Ų428%0.0821%0.212CC..EExtended strand (participates in β ladder)trans-104118.3177.8-56.50000108.7I88 E89 R115 I219 R249I88-T92 PolarHBondContact O-N 3.32Å; I88-T92 VanDerWaalsContact O-N 3.17Å; I88-T92 PolarHBondContact O-OG1 3.09Å; E89-T92 PolarHBondContact O-N 3.14Å; E89-T92 VanDerWaalsContact O-N 3.15Å; T92-R115 WeakPolarHBondContact O-CB 3.32Å; T92-I219 CarbonylContact C-O 3.55Å; T92-I219 VanDerWaalsContact CA-O 3.31Å; T92-I219 WeakPolarHBondContact CA-O 3.33Å; T92-I219 HydrophobicContact CG2-CB 4.43Å; T92-R249 VanDerWaalsContact CG2-CZ 3.5Å
93V98.9Very high97Very high3 Ų339.4 Ų39.42%0.01820%0.195CC..EExtended strand (participates in β ladder)trans-130.1154-173.3-61.30000112.4I95 R115 M117 L218 I219 A220 H221V93-I95 HydrophobicContact CG2-CD1 3.84Å; V93-R115 CarbonylContact C-O 3.55Å; V93-R115 VanDerWaalsContact CA-O 3.27Å; V93-R115 WeakPolarHBondContact CA-O 3.47Å; V93-R115 HydrophobicContact CG1-CB 4.27Å; V93-R115 HydrophobicContact CG1-CG 3.95Å; V93-M117 HydrophobicContact CB-CB 3.97Å; V93-M117 HydrophobicContact CG1-CB 4.26Å; V93-M117 HydrophobicContact CG1-CE 4.2Å; V93-M117 HydrophobicContact CG2-CB 4.07Å; V93-M117 HydrophobicContact CG2-CE 4.25Å; V93-M117 HydrophobicContact CG2-SD 4.13Å; V93-L218 HydrophobicContact CG2-CD1 3.89Å; V93-I219 PolarHBondContact N-O 3.35Å; V93-A220 HydrophobicContact CG2-CB 3.98Å; V93-A220 WeakPolarHBondContact O-CA 3.4Å; V93-H221 PolarHBondContact O-N 3.37Å; V93-H221 PolarHBondContact O-ND1 2.9Å
94I98.9Very high97Very high8 Ų834.3 Ų34.34%0.04118%0.175CC..EExtended strand (participates in β ladder)trans-119136.1169.8-56.7177.9000107.7T96 T102 R115 W116 M117 H221 P223 F486I94-T96 HydrophobicContact CG2-CG2 4.35Å; I94-T102 HydrophobicContact CB-CG2 3.65Å; I94-T102 HydrophobicContact CD1-CG2 4.37Å; I94-T102 HydrophobicContact CG1-CG2 4.45Å; I94-T102 HydrophobicContact CG2-CG2 4.07Å; I94-T102 WeakPolarHBondContact CG2-OG1 3.37Å; I94-R115 PolarHBondContact N-O 3.22Å; I94-W116 WeakPolarHBondContact O-CA 3.38Å; I94-M117 PolarHBondContact O-N 3.42Å; I94-M117 VanDerWaalsContact O-N 3.11Å; I94-H221 WeakPolarHBondContact CA-O 3.38Å; I94-H221 HydrophobicContact CG1-CB 4.17Å; I94-P223 HydrophobicContact CG2-CG 4.15Å; I94-F486 WeakPolarHBondContact CD1-O 3.5Å
95I98.9Very high97.1Very high5 Ų537.6 Ų37.63%0.02619%0.192CC..EExtended strand (participates in β ladder)trans-110.4119.2-176.5-6176000107.4V93 M117 E119 F122 A220 H221 L222 P223V93-I95 HydrophobicContact CG2-CD1 3.84Å; I95-M117 WeakPolarHBondContact CA-O 3.42Å; I95-M117 HydrophobicContact CG1-CB 4.32Å; I95-E119 HydrophobicContact CG2-CB 4.26Å; I95-E119 HydrophobicContact CG2-CG 3.48Å; I95-E119 VanDerWaalsContact CG2-CG 3.48Å; I95-F122 HydrophobicContact CD1-CB 4.49Å; I95-F122 HydrophobicContact CD1-CD2 3.96Å; I95-F122 HydrophobicContact CD1-CG 4.16Å; I95-F122 HydrophobicContact CG1-CB 3.77Å; I95-F122 HydrophobicContact CG1-CD1 4.45Å; I95-F122 HydrophobicContact CG1-CD2 4.14Å; I95-F122 HydrophobicContact CG1-CG 3.83Å; I95-A220 HydrophobicContact CD1-CB 3.66Å; I95-H221 PolarHBondContact N-O 2.79Å; I95-L222 HydrophobicContact CB-CD2 4.47Å; I95-L222 HydrophobicContact CB-CG 4.09Å; I95-L222 HydrophobicContact CD1-CD1 4.46Å; I95-L222 HydrophobicContact CD1-CG 4.32Å; I95-L222 HydrophobicContact CG1-CG 4.42Å; I95-L222 HydrophobicContact CG2-CD2 4.48Å; I95-P223 WeakPolarHBondContact O-CD 3.31Å
96T98.8Very high97.1Very high3 Ų337.3 Ų37.32%0.01819%0.191CC..  trans-139.6157173.649.90000108.7I94 E98 D101 T102 W116 P223I94-T96 HydrophobicContact CG2-CG2 4.35Å; T96-E98 VanDerWaalsContact C-N 3.26Å; T96-E98 PolarHBondContact O-N 2.92Å; T96-E98 PolarHBondContact OG1-O 2.85Å; T96-D101 HydrophobicContact CG2-CB 4.36Å; T96-T102 WeakPolarHBondContact CG2-OG1 3.47Å; T96-T102 PolarHBondContact OG1-OG1 3.01Å; T96-W116 PolarHBondContact O-NE1 2.84Å; T96-W116 PolarHBondContact OG1-NE1 2.87Å; T96-P223 HydrophobicContact CG2-CG 3.99Å
97P98.1Very high97.2Very high83 Ų8341.8 Ų41.854%0.53921%0.208SC..SBendtrans-54.5-43.3177.2-28.435.5000112.7D224P97-D224 WeakPolarHBondContact CD-OD2 3.42Å
98E98.1Very high96.9Very high122 Ų12247.3 Ų47.357%0.5724%0.239SC*.SBendtrans-112.1137.1176.2-62.1-167.8-178.300111.8T96 R100 D101T96-E98 VanDerWaalsContact C-N 3.26Å; T96-E98 PolarHBondContact O-N 2.92Å; T96-E98 PolarHBondContact OG1-O 2.85Å; E98-R100 PolarHBondContact O-N 3.26Å; E98-D101 PolarHBondContact O-N 2.92Å
99Q98.3Very high96.7Very high76 Ų7649.3 Ų49.336%0.35527%0.267SS..Hα-helixtrans-56.2-38.5174.7179.4176.7-4.100112.1D101 T102 T103 I105 W116Q99-D101 PolarHBondContact O-N 3.5Å; Q99-T102 PolarHBondContact O-N 3.35Å; Q99-T103 PolarHBondContact O-N 3.17Å; Q99-I105 HydrophobicContact CB-CD1 4.19Å; Q99-I105 HydrophobicContact CG-CD1 3.84Å; Q99-W116 HydrophobicContact CB-CB 4.44Å; Q99-W116 HydrophobicContact CB-CD2 3.61Å; Q99-W116 HydrophobicContact CB-CE3 3.76Å; Q99-W116 HydrophobicContact CB-CG 3.94Å; Q99-W116 HydrophobicContact CB-CZ2 4.42Å; Q99-W116 HydrophobicContact CB-CZ3 4.22Å; Q99-W116 HydrophobicContact CG-CB 3.86Å; Q99-W116 HydrophobicContact CG-CD2 3.91Å; Q99-W116 HydrophobicContact CG-CE3 3.94Å; Q99-W116 HydrophobicContact CG-CG 3.9Å
100R98.3Very high96.6Very high106 Ų10653.4 Ų53.440%0.430%0.295SS..Hα-helixtrans-63.8-22.1-176.3-165.8173.6-178.4-177.1-0.6112.8E98 T102 T103 I105 N489 D603E98-R100 PolarHBondContact O-N 3.26Å; R100-T102 VanDerWaalsContact C-N 3.33Å; R100-T103 CarbonylContact C-O 3.49Å; R100-T103 VanDerWaalsContact CA-O 3.26Å; R100-T103 WeakPolarHBondContact CA-O 3.38Å; R100-I105 HydrophobicContact CB-CD1 4.2Å; R100-I105 HydrophobicContact CB-CG1 4.24Å; R100-I105 HydrophobicContact CG-CG1 4.25Å; R100-N489 VanDerWaalsContact O-CB 3.28Å; R100-N489 WeakPolarHBondContact O-CB 3.48Å; R100-N489 PolarHBondContact O-ND2 3.25Å; R100-D603 IonicContact CZ-OD1 3.11Å; R100-D603 VanDerWaalsContact CZ-OD1 3.3Å; R100-D603 IonicContact CZ-OD2 2.98Å; R100-D603 IonicContact NE-OD1 2.65Å; R100-D603 PolarHBondContact NE-OD1 3.12Å; R100-D603 VanDerWaalsContact NE-OD1 3.11Å; R100-D603 IonicContact NE-OD2 2.72Å; R100-D603 PolarHBondContact NE-OD2 2.91Å; R100-D603 IonicContact NH2-OD1 2.68Å; R100-D603 PolarHBondContact NH2-OD1 3.42Å; R100-D603 IonicContact NH2-OD2 3.3Å
101D98.5Very high96.6Very high65 Ų6552.1 Ų52.135%0.34829%0.286SS..Hα-helixtrans-75-26.3174.8-72.1-36.5000112.8T96 E98 Q99 Y488 N489T96-D101 HydrophobicContact CG2-CB 4.36Å; E98-D101 PolarHBondContact O-N 2.92Å; Q99-D101 PolarHBondContact O-N 3.5Å; D101-Y488 CarbonylContact O-C 3.54Å; D101-Y488 VanDerWaalsContact O-CA 3.31Å; D101-Y488 WeakPolarHBondContact O-CA 3.35Å; D101-Y488 WeakPolarHBondContact O-CB 3.19Å; D101-N489 PolarHBondContact O-N 3.17Å
102T98.6Very high96.5Very high2 Ų253.9 Ų53.91%0.01230%0.295CS..Hα-helixtrans-89.8-49.5178.3-73.70000112.1I94 T96 Q99 R100 W116 Y488 N489I94-T102 HydrophobicContact CB-CG2 3.65Å; I94-T102 HydrophobicContact CD1-CG2 4.37Å; I94-T102 HydrophobicContact CG1-CG2 4.45Å; I94-T102 HydrophobicContact CG2-CG2 4.07Å; I94-T102 WeakPolarHBondContact CG2-OG1 3.37Å; T96-T102 WeakPolarHBondContact CG2-OG1 3.47Å; T96-T102 PolarHBondContact OG1-OG1 3.01Å; Q99-T102 PolarHBondContact O-N 3.35Å; R100-T102 VanDerWaalsContact C-N 3.33Å; T102-W116 HydrophobicContact CG2-CB 3.93Å; T102-Y488 CarbonylContact O-C 3.59Å; T102-N489 WeakPolarHBondContact O-CA 3.39Å; T102-N489 PolarHBondContact O-N 3.01Å
103T98.2Very high96.5Very high1 Ų153.4 Ų53.41%0.00629%0.292CS..SBendtrans-134.6152.317858.70000111.3Q99 R100Q99-T103 PolarHBondContact O-N 3.17Å; R100-T103 CarbonylContact C-O 3.49Å; R100-T103 VanDerWaalsContact CA-O 3.26Å; R100-T103 WeakPolarHBondContact CA-O 3.38Å
104P98.2Very high96.4Very high0 Ų054.6 Ų54.60%031%0.305CS..  trans-58.3148.1163.2-14.927.9000110.1P106 L113 N489 F490 Q599 I600 D603P104-P106 WeakPolarHBondContact O-CD 3.26Å; P104-L113 HydrophobicContact CG-CD1 4.18Å; P104-N489 WeakPolarHBondContact CA-ND2 3.41Å; P104-F490 HydrophobicContact CG-CB 4.23Å; P104-Q599 WeakPolarHBondContact CB-O 3.47Å; P104-I600 WeakPolarHBondContact CB-O 3.46Å; P104-I600 HydrophobicContact CG-CG2 4.32Å; P104-D603 HydrophobicContact CB-CB 4.27Å
105I98.1Very high96.4Very high72 Ų7260.7 Ų60.737%0.36933%0.327SS..  trans-78.3108.3175.2-53.7-54.4000107.8Q99 R100 N601Q99-I105 HydrophobicContact CB-CD1 4.19Å; Q99-I105 HydrophobicContact CG-CD1 3.84Å; R100-I105 HydrophobicContact CB-CD1 4.2Å; R100-I105 HydrophobicContact CB-CG1 4.24Å; R100-I105 HydrophobicContact CG-CG1 4.25Å; I105-N601 PolarHBondContact O-ND2 2.94Å
106P96.5Very high96.4Very high16 Ų1664 Ų6410%0.10434%0.34CS..  trans-64.1148.7-177.230.6-36.4000109.5P104 N108 G109 G598P104-P106 WeakPolarHBondContact O-CD 3.26Å; P106-N108 PolarHBondContact O-N 3.35Å; P106-G109 WeakPolarHBondContact CG-O 3.42Å; P106-G598 CarbonylContact C-O 3.56Å; P106-G598 VanDerWaalsContact CA-O 3.25Å; P106-G598 WeakPolarHBondContact CA-O 3.25Å; P106-G598 WeakPolarHBondContact CB-O 3.38Å
107K95.3Very high96.3Very high106 Ų10665.9 Ų65.946%0.46135%0.349SS..SBendtrans-60.7-38.2178.7-171.4177-176.8-176.80111.4E597 G598K107-E597 HydrophobicContact CD-CG 4.23Å; K107-E597 IonicContact NZ-OE1 2.61Å; K107-E597 PolarHBondContact NZ-OE1 3.41Å; K107-G598 PolarHBondContact N-O 3.34Å
108N86.9Confident96.4Very high132 Ų13262.9 Ų62.971%0.70633%0.33SS*.SBendtrans-144.8151.5177.1-64.4-51.4000110.4P106P106-N108 PolarHBondContact O-N 3.35Å
109G88.1Confident96.4Very high73 Ų7360.3 Ų60.375%0.75332%0.318SS*.SBendtrans71.7-154.1171.600000114.4P106P106-G109 WeakPolarHBondContact CG-O 3.42Å
110T90.7Very high96.4Very high123 Ų12362.4 Ų62.476%0.75533%0.331SS*.  trans-95.3147.8179.250.90000111.3
111S95.8Very high96.4Very high25 Ų2561.2 Ų61.218%0.17533%0.333CS..  trans-66.8139.2175-171.30000110.5L113S111-L113 PolarHBondContact OG-N 3.04Å
112Q95.8Very high96.4Very high98 Ų9858.3 Ų58.346%0.45832%0.317SS..SBendtrans-94.1-1.7170.4-59.4175.217.400112.1R483Q112-R483 WeakPolarHBondContact O-CD 3.29Å; Q112-R483 WeakPolarHBondContact O-CG 3.16Å
113L97.4Very high96.4Very high2 Ų261.1 Ų61.11%0.0133%0.33CS..SBendtrans-105.714.9-168.5-69.3165.1000113.1P104 S111 P479 F486 F490 Y595 Q599 I600P104-L113 HydrophobicContact CG-CD1 4.18Å; S111-L113 PolarHBondContact OG-N 3.04Å; L113-P479 HydrophobicContact CD2-CG 3.83Å; L113-F486 HydrophobicContact CD2-CD2 4.32Å; L113-F486 HydrophobicContact CD2-CE2 3.86Å; L113-F490 HydrophobicContact CB-CB 4.44Å; L113-F490 HydrophobicContact CD1-CB 4.04Å; L113-F490 HydrophobicContact CD1-CD1 3.7Å; L113-F490 HydrophobicContact CD1-CG 4.28Å; L113-F490 HydrophobicContact CD2-CB 4.18Å; L113-F490 HydrophobicContact CD2-CD1 3.65Å; L113-F490 HydrophobicContact CD2-CE1 4.25Å; L113-F490 HydrophobicContact CD2-CG 3.99Å; L113-F490 HydrophobicContact CG-CB 4.47Å; L113-F490 HydrophobicContact CG-CD1 4.31Å; L113-Y595 VanDerWaalsContact CD2-OH 3.26Å; L113-Y595 WeakPolarHBondContact CD2-OH 3.3Å; L113-Q599 HydrophobicContact CD1-CB 3.91Å; L113-I600 HydrophobicContact CD1-CG1 4.2Å
114G96.8Very high96.4Very high29 Ų2967 Ų6730%0.29936%0.356SS..  trans140.4173.7-176.600000111.2
115R98.3Very high96.5Very high135 Ų13567.6 Ų67.651%0.50936%0.36SS..  trans-132.8120.9178.1-167.6173.8-178.7145.65.2109.2S90 T92 V93 I94S90-R115 WeakPolarHBondContact O-CD 3.47Å; S90-R115 PolarHBondContact O-NE 3.13Å; S90-R115 PolarHBondContact O-NH1 2.78Å; T92-R115 WeakPolarHBondContact O-CB 3.32Å; V93-R115 CarbonylContact C-O 3.55Å; V93-R115 VanDerWaalsContact CA-O 3.27Å; V93-R115 WeakPolarHBondContact CA-O 3.47Å; V93-R115 HydrophobicContact CG1-CB 4.27Å; V93-R115 HydrophobicContact CG1-CG 3.95Å; I94-R115 PolarHBondContact N-O 3.22Å
116W98.6Very high96.5Very high75 Ų7565.6 Ų65.628%0.28435%0.349SS..EExtended strand (participates in β ladder)trans-91.5147.3175.2176.477000110.8I94 T96 Q99 T102I94-W116 WeakPolarHBondContact O-CA 3.38Å; T96-W116 PolarHBondContact O-NE1 2.84Å; T96-W116 PolarHBondContact OG1-NE1 2.87Å; Q99-W116 HydrophobicContact CB-CB 4.44Å; Q99-W116 HydrophobicContact CB-CD2 3.61Å; Q99-W116 HydrophobicContact CB-CE3 3.76Å; Q99-W116 HydrophobicContact CB-CG 3.94Å; Q99-W116 HydrophobicContact CB-CZ2 4.42Å; Q99-W116 HydrophobicContact CB-CZ3 4.22Å; Q99-W116 HydrophobicContact CG-CB 3.86Å; Q99-W116 HydrophobicContact CG-CD2 3.91Å; Q99-W116 HydrophobicContact CG-CE3 3.94Å; Q99-W116 HydrophobicContact CG-CG 3.9Å; T102-W116 HydrophobicContact CG2-CB 3.93Å
117M98.6Very high96.6Very high42 Ų4269.3 Ų69.321%0.20737%0.368CS..EExtended strand (participates in β ladder)trans-133.8137168.6178.1178.7-76.900107.7V93 I94 I95 D121 F122 L218V93-M117 HydrophobicContact CB-CB 3.97Å; V93-M117 HydrophobicContact CG1-CB 4.26Å; V93-M117 HydrophobicContact CG1-CE 4.2Å; V93-M117 HydrophobicContact CG2-CB 4.07Å; V93-M117 HydrophobicContact CG2-CE 4.25Å; V93-M117 HydrophobicContact CG2-SD 4.13Å; I94-M117 PolarHBondContact O-N 3.42Å; I94-M117 VanDerWaalsContact O-N 3.11Å; I95-M117 WeakPolarHBondContact CA-O 3.42Å; I95-M117 HydrophobicContact CG1-CB 4.32Å; M117-D121 HydrophobicContact CG-CB 4.1Å; M117-F122 HydrophobicContact CG-CB 4.2Å; M117-F122 HydrophobicContact SD-CB 3.85Å; M117-F122 HydrophobicContact SD-CD2 4.17Å; M117-L218 HydrophobicContact CE-CD1 4.08Å
118S98.7Very high96.7Very high21 Ų2169 Ų6915%0.14738%0.375CS..  trans-65.9155.3176.471.40000111D120 D121 F122S118-D120 VanDerWaalsContact C-N 3.32Å; S118-D120 PolarHBondContact O-N 2.86Å; S118-D121 PolarHBondContact O-N 3.47Å; S118-D121 VanDerWaalsContact OG-CB 3.3Å; S118-D121 WeakPolarHBondContact OG-CB 3.43Å; S118-D121 PolarHBondContact OG-N 2.65Å; S118-D121 VanDerWaalsContact OG-N 3.1Å; S118-D121 PolarHBondContact OG-OD2 3.04Å; S118-F122 WeakPolarHBondContact O-CB 3.28Å; S118-F122 PolarHBondContact O-N 3.28Å
119E98.4Very high97.3Very high68 Ų6864.8 Ų64.832%0.31835%0.349SS..Hα-helixtrans-57.5-46174-71.1-174.9-148.100111.2I95 D121 F122 E123 R225I95-E119 HydrophobicContact CG2-CB 4.26Å; I95-E119 HydrophobicContact CG2-CG 3.48Å; I95-E119 VanDerWaalsContact CG2-CG 3.48Å; E119-D121 PolarHBondContact O-N 2.94Å; E119-F122 WeakPolarHBondContact O-CB 3.47Å; E119-F122 PolarHBondContact O-N 3.11Å; E119-E123 WeakPolarHBondContact O-CG 3.3Å; E119-E123 PolarHBondContact O-N 3Å; E119-R225 IonicContact OE2-NH2 4Å; E119-R225 PolarHBondContact OE2-NH2 2.92Å; E119-R225 VanDerWaalsContact OE2-NH2 3.11Å
120D98.4Very high97.8Very high119 Ų11961.4 Ų61.464%0.63631%0.314SS*.Hα-helixtrans-60.2-41.8179.6-73-13.6000113.2S118 K124S118-D120 VanDerWaalsContact C-N 3.32Å; S118-D120 PolarHBondContact O-N 2.86Å; D120-K124 WeakPolarHBondContact O-CG 3.48Å; D120-K124 PolarHBondContact O-N 2.67Å
121D98.8Very high98.2Very high81 Ų8158.9 Ų58.943%0.43330%0.3SS..Hα-helixtrans-73.5-33.6178.7-66.2-32.4000111.7M117 S118 E119 K124 A125M117-D121 HydrophobicContact CG-CB 4.1Å; S118-D121 PolarHBondContact O-N 3.47Å; S118-D121 VanDerWaalsContact OG-CB 3.3Å; S118-D121 WeakPolarHBondContact OG-CB 3.43Å; S118-D121 PolarHBondContact OG-N 2.65Å; S118-D121 VanDerWaalsContact OG-N 3.1Å; S118-D121 PolarHBondContact OG-OD2 3.04Å; E119-D121 PolarHBondContact O-N 2.94Å; D121-K124 PolarHBondContact O-N 3.09Å; D121-K124 IonicContact OD1-NZ 2.95Å; D121-K124 PolarHBondContact OD1-NZ 2.7Å; D121-A125 WeakPolarHBondContact O-CB 2.96Å; D121-A125 PolarHBondContact O-N 3.32Å
122F98.7Very high98.3Very high4 Ų458.5 Ų58.52%0.01830%0.299CS..Hα-helixtrans-63.9-45.3172.1176.7-105000111.6I95 M117 S118 E119 K124 A125 F126 L218 A220 L222 I229I95-F122 HydrophobicContact CD1-CB 4.49Å; I95-F122 HydrophobicContact CD1-CD2 3.96Å; I95-F122 HydrophobicContact CD1-CG 4.16Å; I95-F122 HydrophobicContact CG1-CB 3.77Å; I95-F122 HydrophobicContact CG1-CD1 4.45Å; I95-F122 HydrophobicContact CG1-CD2 4.14Å; I95-F122 HydrophobicContact CG1-CG 3.83Å; M117-F122 HydrophobicContact CG-CB 4.2Å; M117-F122 HydrophobicContact SD-CB 3.85Å; M117-F122 HydrophobicContact SD-CD2 4.17Å; S118-F122 WeakPolarHBondContact O-CB 3.28Å; S118-F122 PolarHBondContact O-N 3.28Å; E119-F122 WeakPolarHBondContact O-CB 3.47Å; E119-F122 PolarHBondContact O-N 3.11Å; F122-K124 VanDerWaalsContact C-N 3.32Å; F122-K124 PolarHBondContact O-N 3.2Å; F122-A125 CarbonylContact O-C 3.54Å; F122-A125 WeakPolarHBondContact O-CA 3.24Å; F122-A125 WeakPolarHBondContact O-CB 3.39Å; F122-A125 PolarHBondContact O-N 2.96Å; F122-F126 HydrophobicContact CE1-CB 4.34Å; F122-F126 HydrophobicContact CE1-CD2 4.45Å; F122-F126 HydrophobicContact CZ-CB 4.25Å; F122-F126 HydrophobicContact CZ-CD2 4.03Å; F122-F126 WeakPolarHBondContact O-CB 3.47Å; F122-F126 PolarHBondContact O-N 3.41Å; F122-L218 HydrophobicContact CD2-CD2 4.44Å; F122-L218 HydrophobicContact CE2-CD2 4.42Å; F122-A220 HydrophobicContact CD2-CB 3.8Å; F122-A220 HydrophobicContact CE2-CB 3.27Å; F122-A220 HydrophobicContact CZ-CB 4.07Å; F122-L222 HydrophobicContact CD1-CD2 3.92Å; F122-L222 HydrophobicContact CE1-CD1 3.91Å; F122-L222 HydrophobicContact CE1-CD2 3.76Å; F122-L222 HydrophobicContact CE1-CG 4.38Å; F122-L222 HydrophobicContact CZ-CD1 3.94Å; F122-I229 HydrophobicContact CE1-CD1 3.95Å; F122-I229 HydrophobicContact CZ-CB 4.03Å; F122-I229 HydrophobicContact CZ-CD1 3.58Å; F122-I229 HydrophobicContact CZ-CG1 4.35Å; F122-I229 HydrophobicContact CZ-CG2 4.1Å
123E98.4Very high98.4Very high61 Ų6154 Ų5429%0.28528%0.279SS..Hα-helixtrans-61.4-40178.3-69.3-62.8160.600111.5E119 F126 N127 R225E119-E123 WeakPolarHBondContact O-CG 3.3Å; E119-E123 PolarHBondContact O-N 3Å; E123-F126 PolarHBondContact O-N 3.29Å; E123-N127 WeakPolarHBondContact O-CB 3.37Å; E123-N127 VanDerWaalsContact O-CG 3.3Å; E123-N127 PolarHBondContact O-N 3.18Å; E123-N127 PolarHBondContact O-ND2 3.05Å; E123-R225 IonicContact OE1-CZ 2.73Å; E123-R225 IonicContact OE1-NH1 3.2Å; E123-R225 PolarHBondContact OE1-NH1 3.03Å; E123-R225 VanDerWaalsContact OE1-NH1 3.09Å; E123-R225 IonicContact OE1-NH2 3.09Å
124K98.7Very high98.5Very high125 Ų12553.9 Ų53.954%0.54328%0.278SS..Hα-helixtrans-61.8-45171.2-65.9166.7-155.3155.10111.5D120 D121 F122 F126 T128D120-K124 WeakPolarHBondContact O-CG 3.48Å; D120-K124 PolarHBondContact O-N 2.67Å; D121-K124 PolarHBondContact O-N 3.09Å; D121-K124 IonicContact OD1-NZ 2.95Å; D121-K124 PolarHBondContact OD1-NZ 2.7Å; F122-K124 VanDerWaalsContact C-N 3.32Å; F122-K124 PolarHBondContact O-N 3.2Å; K124-F126 VanDerWaalsContact C-N 3.33Å; K124-F126 PolarHBondContact O-N 2.86Å; K124-T128 WeakPolarHBondContact O-CG2 3.34Å; K124-T128 PolarHBondContact O-N 2.65Å; K124-T128 PolarHBondContact O-OG1 2.83Å
125A98.7Very high98.6Very high12 Ų1257.7 Ų57.710%0.09929%0.288CS..Hα-helixtrans-64.7-37.317900000112.3D121 F122 T128 R129 L218D121-A125 WeakPolarHBondContact O-CB 2.96Å; D121-A125 PolarHBondContact O-N 3.32Å; F122-A125 CarbonylContact O-C 3.54Å; F122-A125 WeakPolarHBondContact O-CA 3.24Å; F122-A125 WeakPolarHBondContact O-CB 3.39Å; F122-A125 PolarHBondContact O-N 2.96Å; A125-T128 WeakPolarHBondContact CA-OG1 3.44Å; A125-T128 PolarHBondContact O-OG1 3.47Å; A125-R129 VanDerWaalsContact CA-NH1 3.34Å; A125-R129 WeakPolarHBondContact O-CD 3.34Å; A125-R129 VanDerWaalsContact O-CG 3.23Å; A125-R129 WeakPolarHBondContact O-CG 3.42Å; A125-R129 PolarHBondContact O-NH1 2.75Å; A125-L218 HydrophobicContact CB-CD2 3.84Å
126F98.7Very high98.6Very high30 Ų3052.5 Ų52.513%0.13228%0.277CS..Hα-helixtrans-67-49.8177.8-178.4-97.4000111.5L37 F122 E123 K124 T128 R129 F130 L193 I229L37-F126 HydrophobicContact CD1-CE1 4.44Å; L37-F126 HydrophobicContact CD2-CE1 3.5Å; L37-F126 VanDerWaalsContact CD2-CE1 3.5Å; L37-F126 HydrophobicContact CD2-CE2 4.28Å; L37-F126 HydrophobicContact CD2-CZ 3.22Å; F122-F126 HydrophobicContact CE1-CB 4.34Å; F122-F126 HydrophobicContact CE1-CD2 4.45Å; F122-F126 HydrophobicContact CZ-CB 4.25Å; F122-F126 HydrophobicContact CZ-CD2 4.03Å; F122-F126 WeakPolarHBondContact O-CB 3.47Å; F122-F126 PolarHBondContact O-N 3.41Å; E123-F126 PolarHBondContact O-N 3.29Å; K124-F126 VanDerWaalsContact C-N 3.33Å; K124-F126 PolarHBondContact O-N 2.86Å; F126-T128 PolarHBondContact O-N 2.96Å; F126-R129 PolarHBondContact O-N 2.95Å; F126-F130 HydrophobicContact CD2-CB 4.47Å; F126-F130 AromaticContact CD2-CD2 3.36Å; F126-F130 HydrophobicContact CD2-CD2 3.36Å; F126-F130 AromaticContact CD2-CE2 3.82Å; F126-F130 HydrophobicContact CD2-CE2 3.82Å; F126-F130 HydrophobicContact CD2-CG 4.06Å; F126-F130 HydrophobicContact CE1-CB 4.46Å; F126-F130 HydrophobicContact CE2-CB 4.11Å; F126-F130 HydrophobicContact CE2-CD1 4.44Å; F126-F130 AromaticContact CE2-CD2 3.49Å; F126-F130 HydrophobicContact CE2-CD2 3.49Å; F126-F130 VanDerWaalsContact CE2-CD2 3.49Å; F126-F130 HydrophobicContact CE2-CE2 4.01Å; F126-F130 AromaticContact CE2-CG 3.74Å; F126-F130 HydrophobicContact CE2-CG 3.74Å; F126-F130 HydrophobicContact CG-CD2 4.11Å; F126-F130 HydrophobicContact CZ-CB 4.13Å; F126-F130 HydrophobicContact CZ-CD2 4.34Å; F126-F130 HydrophobicContact CZ-CG 4.24Å; F126-F130 PolarHBondContact O-N 2.78Å; F126-L193 HydrophobicContact CE2-CD2 4.03Å; F126-L193 HydrophobicContact CZ-CD2 4.38Å; F126-I229 HydrophobicContact CD2-CD1 4.19Å; F126-I229 HydrophobicContact CD2-CG2 3.95Å; F126-I229 HydrophobicContact CE2-CD1 3.93Å; F126-I229 HydrophobicContact CE2-CG2 3.97Å
127N98.4Very high98.6Very high95 Ų9550.6 Ų50.651%0.50827%0.27SS..Hα-helixtrans-65.4-21.8-179.6-73.9-48.7000113.7E123 P131E123-N127 WeakPolarHBondContact O-CB 3.37Å; E123-N127 VanDerWaalsContact O-CG 3.3Å; E123-N127 PolarHBondContact O-N 3.18Å; E123-N127 PolarHBondContact O-ND2 3.05Å; N127-P131 WeakPolarHBondContact O-CD 3.38Å; N127-P131 WeakPolarHBondContact O-CG 3.39Å
128T98.3Very high98.6Very high99 Ų9950 Ų5061%0.60727%0.269SS*.THydrogen-bonded Turntrans-84.4-9.7173.848.30000113.6K124 A125 F126K124-T128 WeakPolarHBondContact O-CG2 3.34Å; K124-T128 PolarHBondContact O-N 2.65Å; K124-T128 PolarHBondContact O-OG1 2.83Å; A125-T128 WeakPolarHBondContact CA-OG1 3.44Å; A125-T128 PolarHBondContact O-OG1 3.47Å; F126-T128 PolarHBondContact O-N 2.96Å
129R98.6Very high98.6Very high43 Ų4349 Ų4916%0.16226%0.262CS..THydrogen-bonded Turntrans-115.6-56.2-170.1-75.4171.6176.769.20.8113.5A125 F126 C133 L216 F231A125-R129 VanDerWaalsContact CA-NH1 3.34Å; A125-R129 WeakPolarHBondContact O-CD 3.34Å; A125-R129 VanDerWaalsContact O-CG 3.23Å; A125-R129 WeakPolarHBondContact O-CG 3.42Å; A125-R129 PolarHBondContact O-NH1 2.75Å; F126-R129 PolarHBondContact O-N 2.95Å; R129-C133 WeakPolarHBondContact O-CB 3.26Å; R129-L216 PolarHBondContact NE-O 2.8Å; R129-L216 PolarHBondContact NH2-O 3.04Å; R129-F231 HydrophobicContact CB-CD1 4.03Å; R129-F231 HydrophobicContact CB-CD2 3.8Å; R129-F231 HydrophobicContact CB-CE1 4.06Å; R129-F231 HydrophobicContact CB-CE2 3.82Å; R129-F231 HydrophobicContact CB-CG 3.89Å; R129-F231 HydrophobicContact CB-CZ 3.94Å; R129-F231 HydrophobicContact CG-CD1 3.8Å; R129-F231 HydrophobicContact CG-CD2 4.46Å; R129-F231 HydrophobicContact CG-CE1 3.93Å; R129-F231 HydrophobicContact CG-CG 4.07Å; R129-F231 HydrophobicContact CG-CZ 4.3Å; R129-F231 WeakPolarHBondContact O-CE2 3.29Å; R129-F231 WeakPolarHBondContact O-CZ 3.31Å
130F98.8Very high98.6Very high3 Ų346.4 Ų46.41%0.01325%0.249CC..SBendtrans-82.7-30.7-165.9-76.5-87.4000116.5L37 F126 G132 C133 L193 I229 F231L37-F130 HydrophobicContact CD2-CB 3.78Å; L37-F130 HydrophobicContact CG-CB 4.15Å; F126-F130 HydrophobicContact CD2-CB 4.47Å; F126-F130 AromaticContact CD2-CD2 3.36Å; F126-F130 HydrophobicContact CD2-CD2 3.36Å; F126-F130 AromaticContact CD2-CE2 3.82Å; F126-F130 HydrophobicContact CD2-CE2 3.82Å; F126-F130 HydrophobicContact CD2-CG 4.06Å; F126-F130 HydrophobicContact CE1-CB 4.46Å; F126-F130 HydrophobicContact CE2-CB 4.11Å; F126-F130 HydrophobicContact CE2-CD1 4.44Å; F126-F130 AromaticContact CE2-CD2 3.49Å; F126-F130 HydrophobicContact CE2-CD2 3.49Å; F126-F130 VanDerWaalsContact CE2-CD2 3.49Å; F126-F130 HydrophobicContact CE2-CE2 4.01Å; F126-F130 AromaticContact CE2-CG 3.74Å; F126-F130 HydrophobicContact CE2-CG 3.74Å; F126-F130 HydrophobicContact CG-CD2 4.11Å; F126-F130 HydrophobicContact CZ-CB 4.13Å; F126-F130 HydrophobicContact CZ-CD2 4.34Å; F126-F130 HydrophobicContact CZ-CG 4.24Å; F126-F130 PolarHBondContact O-N 2.78Å; F130-G132 PolarHBondContact O-N 3.01Å; F130-C133 WeakPolarHBondContact O-CB 3.45Å; F130-C133 PolarHBondContact O-N 3.35Å; F130-C133 PolarHBondContact O-SG 2.69Å; F130-L193 HydrophobicContact CD1-CD2 3.53Å; F130-L193 HydrophobicContact CD1-CG 4.05Å; F130-L193 HydrophobicContact CE1-CD1 4.44Å; F130-L193 HydrophobicContact CE1-CD2 3.5Å; F130-L193 VanDerWaalsContact CE1-CD2 3.5Å; F130-L193 HydrophobicContact CE1-CG 3.61Å; F130-L193 HydrophobicContact CG-CD2 4.23Å; F130-L193 HydrophobicContact CZ-CD2 4.17Å; F130-L193 HydrophobicContact CZ-CG 4.37Å; F130-I229 HydrophobicContact CD2-CG2 4.22Å; F130-I229 HydrophobicContact CE1-CG2 4.23Å; F130-I229 HydrophobicContact CE2-CG2 3.28Å; F130-I229 HydrophobicContact CZ-CG2 3.28Å; F130-F231 HydrophobicContact CD1-CD2 4.34Å; F130-F231 HydrophobicContact CD2-CD2 4.28Å; F130-F231 HydrophobicContact CE1-CD2 4.02Å; F130-F231 HydrophobicContact CE2-CB 3.96Å; F130-F231 AromaticContact CE2-CD2 3.96Å; F130-F231 HydrophobicContact CE2-CD2 3.96Å; F130-F231 HydrophobicContact CE2-CG 4.34Å; F130-F231 HydrophobicContact CG-CD2 4.46Å; F130-F231 HydrophobicContact CZ-CB 3.85Å; F130-F231 AromaticContact CZ-CD2 3.83Å; F130-F231 HydrophobicContact CZ-CD2 3.83Å; F130-F231 HydrophobicContact CZ-CG 4.32Å
131P98.8Very high98.6Very high70 Ų7040.8 Ų40.846%0.45522%0.219SC..THydrogen-bonded Turntrans-55116177.5-28.936.9000112.4L37 N127 C133L37-P131 HydrophobicContact CD1-CB 4.38Å; L37-P131 HydrophobicContact CD1-CG 3.91Å; L37-P131 WeakPolarHBondContact O-CA 3.22Å; N127-P131 WeakPolarHBondContact O-CD 3.38Å; N127-P131 WeakPolarHBondContact O-CG 3.39Å; P131-C133 VanDerWaalsContact C-N 3.28Å; P131-C133 PolarHBondContact O-N 2.84Å
132G98.5Very high98.6Very high16 Ų1637 Ų3717%0.16520%0.198CC..THydrogen-bonded Turntrans69.513.3179.800000116.1L37 C38 F130 M134 Q135 P199L37-G132 PolarHBondContact O-N 3.11Å; C38-G132 CarbonylContact O-C 3.6Å; C38-G132 WeakPolarHBondContact O-CA 3.46Å; F130-G132 PolarHBondContact O-N 3.01Å; G132-M134 PolarHBondContact O-N 2.88Å; G132-Q135 WeakPolarHBondContact O-CB 3.36Å; G132-Q135 PolarHBondContact O-N 3.39Å; G132-P199 WeakPolarHBondContact O-CB 3.49Å
133C98.7Very high98.6Very high3 Ų336.8 Ų36.82%0.0220%0.197CC..THydrogen-bonded Turntrans-66.5-19.7-172.466.10000115.1C38 R129 F130 P131 P199 F231C38-C133 PolarHBondContact O-N 3.12Å; R129-C133 WeakPolarHBondContact O-CB 3.26Å; F130-C133 WeakPolarHBondContact O-CB 3.45Å; F130-C133 PolarHBondContact O-N 3.35Å; F130-C133 PolarHBondContact O-SG 2.69Å; P131-C133 VanDerWaalsContact C-N 3.28Å; P131-C133 PolarHBondContact O-N 2.84Å; C133-P199 WeakPolarHBondContact O-CB 3.17Å; C133-F231 HydrophobicContact CB-CE2 3.76Å; C133-F231 HydrophobicContact CB-CZ 4.45Å
134M98.8Very high98.7Very high0 Ų033.9 Ų33.90%018%0.184CC..THydrogen-bonded Turntrans-105.114.3-179.7-61.1-174-179.200113C38 P40 G132 G136 R137 M139 D162 L193 H194C38-M134 HydrophobicContact CB-CB 3.99Å; C38-M134 HydrophobicContact CB-CE 4.48Å; C38-M134 HydrophobicContact CB-CG 3.74Å; C38-M134 HydrophobicContact CB-SD 3.85Å; C38-M134 WeakPolarHBondContact O-CA 3.4Å; C38-M134 PolarHBondContact O-N 2.95Å; P40-M134 WeakPolarHBondContact CA-O 3.2Å; P40-M134 HydrophobicContact CB-CB 4.09Å; G132-M134 PolarHBondContact O-N 2.88Å; M134-G136 PolarHBondContact O-N 3.33Å; M134-R137 WeakPolarHBondContact O-CB 3.3Å; M134-R137 PolarHBondContact O-N 2.88Å; M134-M139 HydrophobicContact CE-CE 4.09Å; M134-M139 HydrophobicContact SD-CB 3.91Å; M134-M139 HydrophobicContact SD-CE 3.37Å; M134-M139 WeakPolarHBondContact SD-CE 3.41Å; M134-M139 HydrophobicContact SD-CG 4.05Å; M134-D162 HydrophobicContact CB-CB 4.43Å; M134-D162 HydrophobicContact CE-CB 4.14Å; M134-D162 HydrophobicContact CG-CB 3.79Å; M134-D162 HydrophobicContact SD-CB 3.99Å; M134-L193 HydrophobicContact CE-CD1 4.41Å; M134-H194 WeakPolarHBondContact CE-O 3.47Å
135Q98.6Very high98.7Very high110 Ų11028 Ų2851%0.51416%0.159SC..THydrogen-bonded Turntrans-54129.9179.5-171.2169.91.300111.7Q39 G132 R137 P199 L200Q39-Q135 WeakPolarHBondContact O-CA 3.49Å; G132-Q135 WeakPolarHBondContact O-CB 3.36Å; G132-Q135 PolarHBondContact O-N 3.39Å; Q135-R137 PolarHBondContact O-N 2.97Å; Q135-P199 HydrophobicContact CB-CB 4.03Å; Q135-L200 PolarHBondContact O-N 2.76Å
136G97.9Very high98.7Very high26 Ų2627.5 Ų27.527%0.26815%0.154SC..THydrogen-bonded Turntrans69.813.4-176.400000114.9E41 M134 L200E41-G136 WeakPolarHBondContact OE2-CA 3.49Å; M134-G136 PolarHBondContact O-N 3.33Å; G136-L200 WeakPolarHBondContact O-CD1 3.35Å
137R98.6Very high98.6Very high35 Ų3526.1 Ų26.113%0.13215%0.148CC..SBendtrans-119.5159.1177.5-59.2-175.8173.6-83.7-5.8111.3P40 E41 M134 Q135 D162 C198P40-R137 WeakPolarHBondContact CA-O 3.34Å; P40-R137 WeakPolarHBondContact CB-O 3.38Å; E41-R137 PolarHBondContact N-O 2.86Å; M134-R137 WeakPolarHBondContact O-CB 3.3Å; M134-R137 PolarHBondContact O-N 2.88Å; Q135-R137 PolarHBondContact O-N 2.97Å; R137-D162 HydrophobicContact CB-CB 4.17Å; R137-C198 VanDerWaalsContact CZ-O 3.22Å; R137-C198 PolarHBondContact NE-O 2.83Å; R137-C198 PolarHBondContact NH2-O 3.32Å
138T98.8Very high98.6Very high30 Ų3021.8 Ų21.818%0.18413%0.125CC..EExtended strand (participates in β ladder)trans-79.9130.9167.8-56.40000109.7I16 S42 H44 Y140 D162I16-T138 HydrophobicContact CD1-CG2 4.23Å; S42-T138 CarbonylContact O-C 3.58Å; S42-T138 WeakPolarHBondContact O-CA 3.21Å; S42-T138 WeakPolarHBondContact OG-CB 3.3Å; S42-T138 WeakPolarHBondContact OG-CG2 3.5Å; S42-T138 PolarHBondContact OG-OG1 2.92Å; H44-T138 HydrophobicContact CB-CG2 3.67Å; T138-Y140 HydrophobicContact CG2-CD1 4.16Å; T138-Y140 HydrophobicContact CG2-CD2 4.38Å; T138-Y140 HydrophobicContact CG2-CE1 3.85Å; T138-Y140 HydrophobicContact CG2-CE2 4.11Å; T138-Y140 HydrophobicContact CG2-CG 4.4Å; T138-D162 WeakPolarHBondContact O-CA 3.49Å
139M98.9Very high98.5Very high0 Ų020.7 Ų20.70%012%0.115CC..EExtended strand (participates in β ladder)trans-88.5110.4163.1176.9-177.3-75.200108.5N34 A35 C38 P40 S42 I43 H44 M134 L160 T161N34-M139 HydrophobicContact CB-CE 4.32Å; A35-M139 HydrophobicContact CB-SD 4.38Å; C38-M139 HydrophobicContact CB-CE 3.89Å; P40-M139 HydrophobicContact CB-CB 3.7Å; P40-M139 HydrophobicContact CG-CB 3.79Å; P40-M139 HydrophobicContact CG-CE 4.08Å; P40-M139 HydrophobicContact CG-SD 4.41Å; S42-M139 PolarHBondContact O-N 2.9Å; I43-M139 WeakPolarHBondContact CA-O 3.01Å; I43-M139 HydrophobicContact CG1-CB 4.49Å; H44-M139 PolarHBondContact N-O 2.89Å; M134-M139 HydrophobicContact CE-CE 4.09Å; M134-M139 HydrophobicContact SD-CB 3.91Å; M134-M139 HydrophobicContact SD-CE 3.37Å; M134-M139 WeakPolarHBondContact SD-CE 3.41Å; M134-M139 HydrophobicContact SD-CG 4.05Å; M139-L160 HydrophobicContact CG-CB 4.33Å; M139-L160 HydrophobicContact SD-CB 4.34Å; M139-L160 HydrophobicContact SD-CD1 4.15Å; M139-L160 HydrophobicContact SD-CD2 4.46Å; M139-T161 CarbonylContact C-O 3.54Å
140Y98.9Very high98.1Very high13 Ų1321.9 Ų21.95%0.05114%0.141CC..EExtended strand (participates in β ladder)trans-81.3131.5170.7-59.8-82.1000109.6H44 I56 T138 L160 T161 P164 V167H44-Y140 HydrophobicContact CB-CD1 3.65Å; H44-Y140 HydrophobicContact CB-CE1 3.95Å; H44-Y140 AromaticContact CD2-CD1 3.93Å; H44-Y140 AromaticContact CG-CD1 3.76Å; H44-Y140 AromaticContact CG-CE1 3.93Å; H44-Y140 CarbonylContact O-C 3.46Å; H44-Y140 WeakPolarHBondContact O-CA 3.22Å; I56-Y140 HydrophobicContact CD1-CD1 4.22Å; I56-Y140 HydrophobicContact CD1-CE1 3.43Å; I56-Y140 VanDerWaalsContact CD1-CE1 3.43Å; T138-Y140 HydrophobicContact CG2-CD1 4.16Å; T138-Y140 HydrophobicContact CG2-CD2 4.38Å; T138-Y140 HydrophobicContact CG2-CE1 3.85Å; T138-Y140 HydrophobicContact CG2-CE2 4.11Å; T138-Y140 HydrophobicContact CG2-CG 4.4Å; Y140-L160 WeakPolarHBondContact O-CA 3.34Å; Y140-T161 WeakPolarHBondContact CD2-O 3.49Å; Y140-T161 PolarHBondContact N-O 2.91Å; Y140-T161 PolarHBondContact O-N 3.43Å; Y140-P164 HydrophobicContact CE2-CB 4.3Å; Y140-V167 VanDerWaalsContact CB-CG2 3.48Å; Y140-V167 HydrophobicContact CD1-CG2 3.83Å; Y140-V167 HydrophobicContact CD2-CG2 3.82Å; Y140-V167 HydrophobicContact CG-CG2 3.42Å; Y140-V167 VanDerWaalsContact CG-CG2 3.42Å
141V98.9Very high98Very high1 Ų122.1 Ų22.11%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-102.3112.5171.9-174.50000106.7I31 I43 H44 I45 C46 P143 I158 L160I31-V141 HydrophobicContact CD1-CB 4.45Å; I31-V141 HydrophobicContact CD1-CG1 3.7Å; I31-V141 HydrophobicContact CD1-CG2 3.98Å; I31-V141 HydrophobicContact CG1-CG1 4Å; I31-V141 HydrophobicContact CG1-CG2 3.97Å; I31-V141 HydrophobicContact CG2-CG2 4.17Å; I43-V141 HydrophobicContact CG2-CG2 3.92Å; H44-V141 PolarHBondContact O-N 3.48Å; I45-V141 HydrophobicContact CG1-CB 4.3Å; I45-V141 HydrophobicContact CG1-CG2 4.17Å; C46-V141 VanDerWaalsContact CB-O 3.26Å; C46-V141 WeakPolarHBondContact CB-O 3.46Å; C46-V141 PolarHBondContact N-O 3.32Å; C46-V141 PolarHBondContact SG-O 3.34Å; V141-P143 VanDerWaalsContact O-CD 3.3Å; V141-P143 WeakPolarHBondContact O-CD 3.33Å; V141-I158 HydrophobicContact CG1-CG2 3.72Å; V141-L160 HydrophobicContact CB-CD2 4.11Å; V141-L160 HydrophobicContact CG1-CD2 3.89Å; V141-L160 HydrophobicContact CG2-CD2 3.82Å
142I98.9Very high97.8Very high0 Ų023.5 Ų23.50%015%0.152CC..EExtended strand (participates in β ladder)trans-108.2100.2-176.8-52.8172.8000108.3F144 I158 E159 T161 V166 V167 M170 M176I142-F144 WeakPolarHBondContact O-CD1 3.48Å; I142-I158 WeakPolarHBondContact O-CA 3.35Å; I142-E159 HydrophobicContact CB-CB 4.2Å; I142-E159 WeakPolarHBondContact CB-O 3.49Å; I142-E159 HydrophobicContact CD1-CG 4.48Å; I142-E159 PolarHBondContact N-O 3.49Å; I142-E159 PolarHBondContact O-N 2.78Å; I142-T161 HydrophobicContact CD1-CG2 3.59Å; I142-T161 HydrophobicContact CG1-CG2 4.34Å; I142-V166 HydrophobicContact CD1-CG1 4.18Å; I142-V167 HydrophobicContact CD1-CB 4.36Å; I142-V167 HydrophobicContact CD1-CG2 3.88Å; I142-V167 HydrophobicContact CG1-CG2 4.18Å; I142-M170 HydrophobicContact CD1-CB 4.3Å; I142-M170 HydrophobicContact CD1-CG 4.31Å; I142-M170 HydrophobicContact CG2-CB 4.17Å; I142-M176 HydrophobicContact CG2-CG 3.42Å; I142-M176 VanDerWaalsContact CG2-CG 3.42Å; I142-M176 HydrophobicContact CG2-SD 4.31Å
143P98.7Very high97.6Very high0 Ų023.5 Ų23.50%015%0.148CC..EExtended strand (participates in β ladder)trans-77.9130.2167.8-5.523.7000109.5V141 I158 M176 G177 A180 L181V141-P143 VanDerWaalsContact O-CD 3.3Å; V141-P143 WeakPolarHBondContact O-CD 3.33Å; P143-I158 HydrophobicContact CB-CD1 3.72Å; P143-I158 HydrophobicContact CG-CD1 4.41Å; P143-M176 CarbonylContact O-C 3.26Å; P143-M176 WeakPolarHBondContact O-CA 3.14Å; P143-G177 PolarHBondContact O-N 2.94Å; P143-A180 HydrophobicContact CB-CB 4.45Å; P143-L181 HydrophobicContact CB-CB 4.48Å; P143-L181 HydrophobicContact CB-CD1 4.13Å; P143-L181 HydrophobicContact CB-CD2 3.53Å; P143-L181 HydrophobicContact CB-CG 3.36Å; P143-L181 HydrophobicContact CG-CD1 3.48Å; P143-L181 VanDerWaalsContact CG-CD1 3.48Å; P143-L181 HydrophobicContact CG-CD2 3.62Å; P143-L181 HydrophobicContact CG-CG 3.32Å
144F98.9Very high97.5Very high0 Ų024.4 Ų24.40%015%0.154CC..EExtended strand (participates in β ladder)trans-144.7147.4-179.168.2-86.8000112.9I142 M146 T156 G157 E159 M170 T174 R175 F246I142-F144 WeakPolarHBondContact O-CD1 3.48Å; F144-M146 HydrophobicContact CD2-CG 4.04Å; F144-M146 HydrophobicContact CD2-SD 3.74Å; F144-M146 HydrophobicContact CE2-CG 3.75Å; F144-M146 HydrophobicContact CE2-SD 3.7Å; F144-T156 WeakPolarHBondContact O-CA 3.36Å; F144-T156 WeakPolarHBondContact O-CG2 3.39Å; F144-G157 VanDerWaalsContact CD1-O 3.3Å; F144-G157 WeakPolarHBondContact CD1-O 3.42Å; F144-G157 VanDerWaalsContact CE1-C 3.43Å; F144-G157 PolarHBondContact N-O 3.34Å; F144-G157 PolarHBondContact O-N 2.88Å; F144-E159 HydrophobicContact CD1-CB 4.32Å; F144-E159 HydrophobicContact CE1-CB 3.86Å; F144-M170 HydrophobicContact CB-CE 4.43Å; F144-M170 HydrophobicContact CD1-CE 3.76Å; F144-M170 HydrophobicContact CD2-CE 4.08Å; F144-M170 HydrophobicContact CE1-CE 3.99Å; F144-M170 HydrophobicContact CE2-CE 4.27Å; F144-M170 HydrophobicContact CG-CE 3.82Å; F144-M170 HydrophobicContact CZ-CE 4.23Å; F144-T174 HydrophobicContact CB-CG2 4.4Å; F144-T174 WeakPolarHBondContact CB-OG1 3.41Å; F144-T174 HydrophobicContact CD2-CG2 3.98Å; F144-T174 HydrophobicContact CG-CG2 4.39Å; F144-R175 CarbonylContact C-O 3.33Å; F144-R175 WeakPolarHBondContact CA-O 3.42Å; F144-F246 AromaticContact CE2-CD2 3.75Å; F144-F246 HydrophobicContact CE2-CD2 3.75Å; F144-F246 HydrophobicContact CE2-CE2 4.09Å; F144-F246 AromaticContact CZ-CD2 3.93Å; F144-F246 HydrophobicContact CZ-CD2 3.93Å; F144-F246 HydrophobicContact CZ-CE2 4.4Å
145S98.8Very high97.5Very high3 Ų327 Ų272%0.02117%0.165CC..EExtended strand (participates in β ladder)trans-105130.7169.5-167.10000110.3G147 R175S145-G147 PolarHBondContact OG-O 3.3Å; S145-R175 PolarHBondContact N-O 3.27Å; S145-R175 PolarHBondContact O-N 2.99Å
146M98.7Very high97.5Very high1 Ų122.6 Ų22.61%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-90.4119.7164-60.7-53-59.700107.8F144 S154 K155 T174 G242 F246 A247 W314 P328 E329F144-M146 HydrophobicContact CD2-CG 4.04Å; F144-M146 HydrophobicContact CD2-SD 3.74Å; F144-M146 HydrophobicContact CE2-CG 3.75Å; F144-M146 HydrophobicContact CE2-SD 3.7Å; M146-S154 WeakPolarHBondContact O-CA 3.46Å; M146-S154 VanDerWaalsContact O-CB 3.31Å; M146-S154 WeakPolarHBondContact O-CB 3.29Å; M146-S154 PolarHBondContact O-OG 2.97Å; M146-K155 PolarHBondContact N-O 3.04Å; M146-K155 PolarHBondContact O-N 2.78Å; M146-K155 VanDerWaalsContact O-N 3.14Å; M146-T174 HydrophobicContact SD-CG2 3.64Å; M146-G242 VanDerWaalsContact CE-O 3.22Å; M146-G242 WeakPolarHBondContact CE-O 3.5Å; M146-F246 HydrophobicContact CG-CD2 3.82Å; M146-F246 HydrophobicContact CG-CE2 3.88Å; M146-A247 HydrophobicContact CE-CB 3.86Å; M146-W314 HydrophobicContact CB-CH2 3.43Å; M146-W314 VanDerWaalsContact CB-CH2 3.43Å; M146-W314 HydrophobicContact CB-CZ2 4.11Å; M146-W314 HydrophobicContact CB-CZ3 3.98Å; M146-W314 HydrophobicContact CG-CH2 4.28Å; M146-P328 CarbonylContact C-O 3.6Å; M146-P328 WeakPolarHBondContact CA-O 3.49Å; M146-P328 HydrophobicContact CB-CB 4.05Å; M146-P328 HydrophobicContact CE-CB 4Å; M146-E329 HydrophobicContact CE-CG 4.39Å
147G98Very high97.5Very high0 Ų021.4 Ų21.40%013%0.134CC..SBendtrans89.5171.1-171.600000113.6S145 I149 S154 R175 P328S145-G147 PolarHBondContact OG-O 3.3Å; G147-I149 PolarHBondContact O-N 2.76Å; G147-S154 VanDerWaalsContact CA-OG 3.24Å; G147-S154 WeakPolarHBondContact CA-OG 3.26Å; G147-S154 PolarHBondContact O-OG 3.23Å; G147-R175 WeakPolarHBondContact O-CD 3.37Å; G147-P328 VanDerWaalsContact N-CA 3.33Å; G147-P328 PolarHBondContact N-O 3.26Å
148P97.9Very high97.5Very high4 Ų419.7 Ų19.73%0.02613%0.127CC..SBendtrans-59.3131.1179.1-19.931.1000111.6G150 S151 S154 D421P148-G150 PolarHBondContact O-N 2.85Å; P148-G150 VanDerWaalsContact O-N 3.13Å; P148-S151 VanDerWaalsContact O-CB 3.23Å; P148-S151 WeakPolarHBondContact O-CB 3.27Å; P148-S151 PolarHBondContact O-N 2.88Å; P148-S154 PolarHBondContact O-OG 3.04Å; P148-D421 WeakPolarHBondContact CA-OD1 3.47Å; P148-D421 VanDerWaalsContact CB-O 3.3Å; P148-D421 WeakPolarHBondContact CB-O 3.23Å; P148-D421 WeakPolarHBondContact CB-OD1 3.32Å; P148-D421 WeakPolarHBondContact CG-O 3.36Å; P148-D421 WeakPolarHBondContact CG-OD1 3.15Å
149I95.8Very high97.5Very high76 Ų7618.3 Ų18.339%0.3912%0.119SC..THydrogen-bonded Turntrans-57.4123.8179.8-64.9178000109.7G147 R175 A179 A183G147-I149 PolarHBondContact O-N 2.76Å; I149-R175 HydrophobicContact CD1-CB 4.16Å; I149-R175 HydrophobicContact CG1-CB 4.19Å; I149-A179 HydrophobicContact CD1-CB 3.73Å; I149-A183 HydrophobicContact CG2-CB 3.73Å
150G91.3Very high97.5Very high68 Ų6818.3 Ų18.370%0.70112%0.119SC*.THydrogen-bonded Turntrans91.9-4-176.900000115P148P148-G150 PolarHBondContact O-N 2.85Å; P148-G150 VanDerWaalsContact O-N 3.13Å
151S95.6Very high97.5Very high9 Ų917.7 Ų17.76%0.06312%0.116CC..  trans-62.1139170.2178.10000110.8P148 L153 S154 P423P148-S151 VanDerWaalsContact O-CB 3.23Å; P148-S151 WeakPolarHBondContact O-CB 3.27Å; P148-S151 PolarHBondContact O-N 2.88Å; S151-L153 PolarHBondContact O-N 3.22Å; S151-L153 PolarHBondContact OG-N 3.48Å; S151-L153 VanDerWaalsContact OG-N 3.14Å; S151-S154 WeakPolarHBondContact O-CB 3.32Å; S151-S154 PolarHBondContact O-N 3.49Å; S151-P423 WeakPolarHBondContact CB-O 3.42Å; S151-P423 PolarHBondContact OG-O 3.09Å
152P94.2Very high97.5Very high99 Ų9917.8 Ų17.864%0.64312%0.117SC*.THydrogen-bonded Turntrans-64.7-15.2171.328.1-36.3000113.3P423P152-P423 WeakPolarHBondContact CD-O 3.18Å
153L95.3Very high97.5Very high16 Ų1618.1 Ų18.18%0.08412%0.119CC..THydrogen-bonded Turntrans-92.6-13.7174.8-64178.4000112.6S151 W314 K316 I326S151-L153 PolarHBondContact O-N 3.22Å; S151-L153 PolarHBondContact OG-N 3.48Å; S151-L153 VanDerWaalsContact OG-N 3.14Å; L153-W314 WeakPolarHBondContact O-CZ3 3.35Å; L153-K316 HydrophobicContact CD2-CB 3.68Å; L153-K316 HydrophobicContact CD2-CD 3.77Å; L153-K316 HydrophobicContact CD2-CG 4.38Å; L153-I326 HydrophobicContact CB-CD1 3.56Å; L153-I326 HydrophobicContact CB-CG1 3.94Å; L153-I326 HydrophobicContact CD1-CG1 3.98Å; L153-I326 HydrophobicContact CD1-CG2 4.05Å
154S97.1Very high97.5Very high22 Ų2218.5 Ų18.515%0.15412%0.122CC..  trans-68.2147.3-178.2-84.70000112.6M146 G147 P148 S151M146-S154 WeakPolarHBondContact O-CA 3.46Å; M146-S154 VanDerWaalsContact O-CB 3.31Å; M146-S154 WeakPolarHBondContact O-CB 3.29Å; M146-S154 PolarHBondContact O-OG 2.97Å; G147-S154 VanDerWaalsContact CA-OG 3.24Å; G147-S154 WeakPolarHBondContact CA-OG 3.26Å; G147-S154 PolarHBondContact O-OG 3.23Å; P148-S154 PolarHBondContact O-OG 3.04Å; S151-S154 WeakPolarHBondContact O-CB 3.32Å; S151-S154 PolarHBondContact O-N 3.49Å
155K98.1Very high97.5Very high53 Ų5318.6 Ų18.623%0.2312%0.122CC..EExtended strand (participates in β ladder)trans-133.8142.7173.3-53.8-74.6-176172.10108.6M146 F246 E258 W314M146-K155 PolarHBondContact N-O 3.04Å; M146-K155 PolarHBondContact O-N 2.78Å; M146-K155 VanDerWaalsContact O-N 3.14Å; K155-F246 HydrophobicContact CB-CE1 4.19Å; K155-F246 HydrophobicContact CB-CE2 4.39Å; K155-F246 HydrophobicContact CB-CZ 3.51Å; K155-F246 HydrophobicContact CG-CZ 4.48Å; K155-E258 VanDerWaalsContact NZ-CD 3.3Å; K155-E258 IonicContact NZ-OE1 2.8Å; K155-E258 PolarHBondContact NZ-OE1 2.63Å; K155-E258 IonicContact NZ-OE2 3.21Å; K155-E258 PolarHBondContact NZ-OE2 3.31Å; K155-W314 HydrophobicContact CB-CH2 3.93Å; K155-W314 HydrophobicContact CB-CZ3 4.09Å; K155-W314 HydrophobicContact CG-CH2 3.94Å; K155-W314 HydrophobicContact CG-CZ3 3.83Å
156T98.2Very high97.6Very high19 Ų1918.4 Ų18.412%0.11712%0.121CC..EExtended strand (participates in β ladder)trans-100.5147.5-178.4-57.20000110.4F144 L184 F189 V190F144-T156 WeakPolarHBondContact O-CA 3.36Å; F144-T156 WeakPolarHBondContact O-CG2 3.39Å; T156-L184 HydrophobicContact CG2-CB 4.09Å; T156-L184 HydrophobicContact CG2-CD1 4.07Å; T156-L184 HydrophobicContact CG2-CD2 4.16Å; T156-L184 HydrophobicContact CG2-CG 4.34Å; T156-F189 VanDerWaalsContact O-CA 3.32Å; T156-F189 WeakPolarHBondContact O-CA 3.45Å; T156-V190 PolarHBondContact O-N 2.86Å
157G98.6Very high97.6Very high0 Ų018.5 Ų18.50%012%0.122CC..EExtended strand (participates in β ladder)trans-132.7159.9168.400000111.7F144 V190F144-G157 VanDerWaalsContact CD1-O 3.3Å; F144-G157 WeakPolarHBondContact CD1-O 3.42Å; F144-G157 VanDerWaalsContact CE1-C 3.43Å; F144-G157 PolarHBondContact N-O 3.34Å; F144-G157 PolarHBondContact O-N 2.88Å; G157-V190 VanDerWaalsContact CA-O 3.25Å; G157-V190 WeakPolarHBondContact CA-O 3.45Å
158I98.9Very high97.6Very high0 Ų018.6 Ų18.60%012%0.122CC..EExtended strand (participates in β ladder)trans-120.2116169-56.1-62.8000106.9V27 F30 V141 I142 P143 L160 L181 L184 F189 V190 C192V27-I158 HydrophobicContact CG1-CD1 4.29Å; V27-I158 HydrophobicContact CG1-CG1 4.22Å; V27-I158 HydrophobicContact CG2-CD1 4.5Å; V27-I158 HydrophobicContact CG2-CG1 4.25Å; F30-I158 HydrophobicContact CD1-CB 4.3Å; F30-I158 HydrophobicContact CD1-CG2 4.09Å; F30-I158 HydrophobicContact CE1-CB 4.24Å; F30-I158 HydrophobicContact CE1-CG2 4.09Å; V141-I158 HydrophobicContact CG1-CG2 3.72Å; I142-I158 WeakPolarHBondContact O-CA 3.35Å; P143-I158 HydrophobicContact CB-CD1 3.72Å; P143-I158 HydrophobicContact CG-CD1 4.41Å; I158-L160 HydrophobicContact CG2-CD2 4.23Å; I158-L181 HydrophobicContact CD1-CD2 3.85Å; I158-L184 HydrophobicContact CD1-CD2 4.17Å; I158-L184 HydrophobicContact CG1-CD2 4.45Å; I158-F189 HydrophobicContact CB-CD2 3.84Å; I158-F189 HydrophobicContact CB-CE2 3.93Å; I158-F189 HydrophobicContact CG1-CD2 3.45Å; I158-F189 VanDerWaalsContact CG1-CD2 3.45Å; I158-F189 HydrophobicContact CG1-CE2 3.7Å; I158-F189 HydrophobicContact CG1-CG 4.02Å; I158-F189 HydrophobicContact CG1-CZ 4.46Å; I158-V190 PolarHBondContact N-O 3.46Å; I158-C192 WeakPolarHBondContact O-CB 3.37Å; I158-C192 PolarHBondContact O-N 3.16Å
159E98.9Very high97.7Very high0 Ų018.4 Ų18.40%012%0.121CC..EExtended strand (participates in β ladder)trans-102.1123.5175.7179.6170.9172.500111.8I142 F144 V166 M170 C192 L241I142-E159 HydrophobicContact CB-CB 4.2Å; I142-E159 WeakPolarHBondContact CB-O 3.49Å; I142-E159 HydrophobicContact CD1-CG 4.48Å; I142-E159 PolarHBondContact N-O 3.49Å; I142-E159 PolarHBondContact O-N 2.78Å; F144-E159 HydrophobicContact CD1-CB 4.32Å; F144-E159 HydrophobicContact CE1-CB 3.86Å; E159-V166 WeakPolarHBondContact OE1-CG1 3.26Å; E159-M170 WeakPolarHBondContact OE2-CE 3.38Å; E159-C192 CarbonylContact C-O 3.56Å; E159-C192 VanDerWaalsContact CA-O 3.31Å; E159-C192 WeakPolarHBondContact CA-O 3.14Å; E159-C192 HydrophobicContact CB-CB 3.71Å; E159-C192 HydrophobicContact CG-CB 4Å; E159-L241 HydrophobicContact CG-CD1 4.29Å; E159-L241 WeakPolarHBondContact OE2-CB 3.42Å; E159-L241 PolarHBondContact OE2-N 3.29Å
160L98.9Very high97.8Very high0 Ų014.8 Ų14.80%010%0.102CC..EExtended strand (participates in β ladder)trans-97.4123.7171-52.5-177.2000108.6F30 I31 N34 M139 Y140 V141 I158 C192 L193 H194F30-L160 HydrophobicContact CD1-CD1 4.04Å; F30-L160 HydrophobicContact CD1-CG 4.24Å; F30-L160 HydrophobicContact CE1-CD1 3.65Å; F30-L160 HydrophobicContact CE1-CD2 4.21Å; F30-L160 HydrophobicContact CE1-CG 3.58Å; F30-L160 HydrophobicContact CE2-CD1 4.32Å; F30-L160 HydrophobicContact CZ-CD1 3.78Å; F30-L160 HydrophobicContact CZ-CG 3.97Å; I31-L160 HydrophobicContact CG1-CD2 3.97Å; N34-L160 HydrophobicContact CB-CD1 3.49Å; N34-L160 VanDerWaalsContact CB-CD1 3.49Å; M139-L160 HydrophobicContact CG-CB 4.33Å; M139-L160 HydrophobicContact SD-CB 4.34Å; M139-L160 HydrophobicContact SD-CD1 4.15Å; M139-L160 HydrophobicContact SD-CD2 4.46Å; Y140-L160 WeakPolarHBondContact O-CA 3.34Å; V141-L160 HydrophobicContact CB-CD2 4.11Å; V141-L160 HydrophobicContact CG1-CD2 3.89Å; V141-L160 HydrophobicContact CG2-CD2 3.82Å; I158-L160 HydrophobicContact CG2-CD2 4.23Å; L160-C192 PolarHBondContact N-O 3.33Å; L160-L193 HydrophobicContact CB-CD1 3.99Å; L160-L193 HydrophobicContact CD1-CD1 4.35Å; L160-H194 WeakPolarHBondContact O-CA 3.32Å; L160-H194 PolarHBondContact O-N 3.34Å; L160-H194 VanDerWaalsContact O-O 3.12Å
161T98.9Very high98.2Very high0 Ų014.4 Ų14.40%08%0.08CC..EExtended strand (participates in β ladder)trans-143.9150.3-180-176.20000113M139 Y140 I142 S163 V166 V167 H194M139-T161 CarbonylContact C-O 3.54Å; Y140-T161 WeakPolarHBondContact CD2-O 3.49Å; Y140-T161 PolarHBondContact N-O 2.91Å; Y140-T161 PolarHBondContact O-N 3.43Å; I142-T161 HydrophobicContact CD1-CG2 3.59Å; I142-T161 HydrophobicContact CG1-CG2 4.34Å; T161-S163 PolarHBondContact OG1-N 3.36Å; T161-S163 VanDerWaalsContact OG1-N 3.12Å; T161-V166 HydrophobicContact CG2-CB 4.12Å; T161-V166 HydrophobicContact CG2-CG1 3.91Å; T161-V167 HydrophobicContact CG2-CG2 4.14Å; T161-H194 WeakPolarHBondContact CA-O 3.42Å; T161-H194 PolarHBondContact OG1-ND1 3.27Å
162D98.9Very high98.3Very high4 Ų414.8 Ų14.82%0.0218%0.081CC..SBendtrans-96.713.2169.958.66000114.2M134 R137 T138 S195 V196M134-D162 HydrophobicContact CB-CB 4.43Å; M134-D162 HydrophobicContact CE-CB 4.14Å; M134-D162 HydrophobicContact CG-CB 3.79Å; M134-D162 HydrophobicContact SD-CB 3.99Å; R137-D162 HydrophobicContact CB-CB 4.17Å; T138-D162 WeakPolarHBondContact O-CA 3.49Å; D162-S195 WeakPolarHBondContact OD1-CA 3.49Å; D162-S195 WeakPolarHBondContact OD2-CB 3.3Å; D162-S195 PolarHBondContact OD2-OG 3.26Å; D162-V196 PolarHBondContact OD1-N 2.69Å; D162-V196 PolarHBondContact OD2-N 2.82Å
163S98.8Very high98.5Very high7 Ų710.2 Ų10.25%0.0495%0.051CC..  trans-115.2114.7-175.7-179.80000112.8T161 Y165 V166 V167T161-S163 PolarHBondContact OG1-N 3.36Å; T161-S163 VanDerWaalsContact OG1-N 3.12Å; S163-Y165 PolarHBondContact O-N 3.24Å; S163-Y165 PolarHBondContact OG-N 2.86Å; S163-V166 WeakPolarHBondContact O-CB 3.49Å; S163-V166 PolarHBondContact O-N 3.2Å; S163-V166 VanDerWaalsContact O-N 3.16Å; S163-V166 PolarHBondContact OG-N 3.07Å; S163-V167 PolarHBondContact O-N 2.86Å
164P98.8Very high98.7Very high8 Ų89.5 Ų9.55%0.0525%0.047CC..Hα-helixtrans-65-27.417426.3-33.9000112.9I56 M60 M65 Y140 V166 V167 A168I56-P164 HydrophobicContact CG2-CB 3.85Å; I56-P164 WeakPolarHBondContact CG2-O 3.33Å; M60-P164 HydrophobicContact CG-CB 3.72Å; M60-P164 HydrophobicContact CG-CG 3.63Å; M60-P164 HydrophobicContact SD-CB 4.16Å; M60-P164 HydrophobicContact SD-CG 4.25Å; M65-P164 HydrophobicContact CE-CG 4.49Å; M65-P164 HydrophobicContact SD-CG 4.3Å; Y140-P164 HydrophobicContact CE2-CB 4.3Å; P164-V166 VanDerWaalsContact C-N 3.3Å; P164-V166 PolarHBondContact O-N 2.81Å; P164-V167 WeakPolarHBondContact O-CB 3.46Å; P164-V167 PolarHBondContact O-N 2.74Å; P164-A168 PolarHBondContact O-N 3.46Å
165Y98.9Very high98.8Very high1 Ų19.6 Ų9.60%0.0044%0.044CC..Hα-helixtrans-62.6-38.7173.8172.3-85.4000111.8M60 A78 S163 S169 W210 I356 T358M60-Y165 WeakPolarHBondContact SD-CA 3.37Å; M60-Y165 PolarHBondContact SD-N 3.05Å; A78-Y165 HydrophobicContact CB-CD2 4.07Å; A78-Y165 HydrophobicContact CB-CE2 3.74Å; S163-Y165 PolarHBondContact O-N 3.24Å; S163-Y165 PolarHBondContact OG-N 2.86Å; Y165-S169 VanDerWaalsContact O-CB 3.26Å; Y165-S169 WeakPolarHBondContact O-CB 3.36Å; Y165-S169 PolarHBondContact O-N 3.27Å; Y165-S169 PolarHBondContact O-OG 3.27Å; Y165-W210 AromaticContact CD1-CH2 3.67Å; Y165-W210 HydrophobicContact CD1-CH2 3.67Å; Y165-W210 HydrophobicContact CD1-CZ3 4.25Å; Y165-W210 HydrophobicContact CD2-CH2 4.1Å; Y165-W210 AromaticContact CD2-CZ3 3.94Å; Y165-W210 HydrophobicContact CD2-CZ3 3.94Å; Y165-W210 AromaticContact CE1-CH2 3.8Å; Y165-W210 HydrophobicContact CE1-CH2 3.8Å; Y165-W210 HydrophobicContact CE2-CH2 4.18Å; Y165-W210 HydrophobicContact CE2-CZ3 4.25Å; Y165-W210 AromaticContact CG-CH2 3.85Å; Y165-W210 HydrophobicContact CG-CH2 3.85Å; Y165-W210 AromaticContact CG-CZ3 3.94Å; Y165-W210 HydrophobicContact CG-CZ3 3.94Å; Y165-I356 HydrophobicContact CE2-CG2 3.93Å; Y165-T358 PolarHBondContact OH-OG1 2.92Å
166V98.9Very high98.8Very high0 Ų08.1 Ų8.10%04%0.039CC..Hα-helixtrans-66-43.1175.9172.40000110.3I142 E159 T161 S163 P164 S169 M170 S239 L240I142-V166 HydrophobicContact CD1-CG1 4.18Å; E159-V166 WeakPolarHBondContact OE1-CG1 3.26Å; T161-V166 HydrophobicContact CG2-CB 4.12Å; T161-V166 HydrophobicContact CG2-CG1 3.91Å; S163-V166 WeakPolarHBondContact O-CB 3.49Å; S163-V166 PolarHBondContact O-N 3.2Å; S163-V166 VanDerWaalsContact O-N 3.16Å; S163-V166 PolarHBondContact OG-N 3.07Å; P164-V166 VanDerWaalsContact C-N 3.3Å; P164-V166 PolarHBondContact O-N 2.81Å; V166-S169 PolarHBondContact O-N 3.17Å; V166-M170 HydrophobicContact CG1-CG 4Å; V166-M170 VanDerWaalsContact O-CB 3.26Å; V166-M170 WeakPolarHBondContact O-CB 3.48Å; V166-M170 VanDerWaalsContact O-CG 3.29Å; V166-M170 WeakPolarHBondContact O-CG 3.34Å; V166-M170 PolarHBondContact O-N 2.81Å; V166-S239 WeakPolarHBondContact CG1-O 3.42Å; V166-L240 HydrophobicContact CG1-CD2 4.26Å
167V98.9Very high98.8Very high3 Ų37.2 Ų7.22%0.0183%0.033CC..Hα-helixtrans-56.3-54.1175.8179.60000111.2I56 Y140 I142 T161 S163 P164 S169 M170 R171 M176I56-V167 HydrophobicContact CG1-CG1 4.35Å; I56-V167 HydrophobicContact CG2-CB 4.4Å; I56-V167 HydrophobicContact CG2-CG1 4.48Å; Y140-V167 VanDerWaalsContact CB-CG2 3.48Å; Y140-V167 HydrophobicContact CD1-CG2 3.83Å; Y140-V167 HydrophobicContact CD2-CG2 3.82Å; Y140-V167 HydrophobicContact CG-CG2 3.42Å; Y140-V167 VanDerWaalsContact CG-CG2 3.42Å; I142-V167 HydrophobicContact CD1-CB 4.36Å; I142-V167 HydrophobicContact CD1-CG2 3.88Å; I142-V167 HydrophobicContact CG1-CG2 4.18Å; T161-V167 HydrophobicContact CG2-CG2 4.14Å; S163-V167 PolarHBondContact O-N 2.86Å; P164-V167 WeakPolarHBondContact O-CB 3.46Å; P164-V167 PolarHBondContact O-N 2.74Å; V167-S169 VanDerWaalsContact C-N 3.32Å; V167-S169 PolarHBondContact O-N 2.83Å; V167-M170 PolarHBondContact O-N 2.81Å; V167-R171 PolarHBondContact O-N 2.78Å; V167-M176 HydrophobicContact CG1-CE 4.26Å
168A98.8Very high98.7Very high1 Ų111.2 Ų11.21%0.0086%0.057CC..Hα-helixtrans-62.8-38.3-178.700000112.3I56 L57 M60 P164 R171 I172 I356I56-A168 HydrophobicContact CG2-CB 4.32Å; L57-A168 HydrophobicContact CD2-CB 4.45Å; M60-A168 HydrophobicContact CE-CB 3.7Å; P164-A168 PolarHBondContact O-N 3.46Å; A168-R171 WeakPolarHBondContact O-CB 3.43Å; A168-I172 PolarHBondContact O-N 3.14Å; A168-I356 HydrophobicContact CB-CD1 3.8Å
169S98.9Very high98.6Very high0 Ų014 Ų140%08%0.08CC..Hα-helixtrans-72.3-41177.7-63.30000112.7Y165 V166 V167 R171 I172 M173 L240Y165-S169 VanDerWaalsContact O-CB 3.26Å; Y165-S169 WeakPolarHBondContact O-CB 3.36Å; Y165-S169 PolarHBondContact O-N 3.27Å; Y165-S169 PolarHBondContact O-OG 3.27Å; V166-S169 PolarHBondContact O-N 3.17Å; V167-S169 VanDerWaalsContact C-N 3.32Å; V167-S169 PolarHBondContact O-N 2.83Å; S169-R171 VanDerWaalsContact C-N 3.28Å; S169-R171 PolarHBondContact O-N 2.87Å; S169-I172 PolarHBondContact O-N 3.02Å; S169-I172 VanDerWaalsContact O-N 3.14Å; S169-M173 WeakPolarHBondContact O-CB 3.37Å; S169-M173 WeakPolarHBondContact O-CG 3.37Å; S169-M173 PolarHBondContact O-N 3.14Å; S169-L240 VanDerWaalsContact CB-CD2 3.42Å
170M98.9Very high98.5Very high0 Ų014 Ų140%08%0.08CC..Hα-helixtrans-65-32.9176.2-77.4-65.4-73.900111.6I142 F144 E159 V166 V167 I172 M173 T174 L240I142-M170 HydrophobicContact CD1-CB 4.3Å; I142-M170 HydrophobicContact CD1-CG 4.31Å; I142-M170 HydrophobicContact CG2-CB 4.17Å; F144-M170 HydrophobicContact CB-CE 4.43Å; F144-M170 HydrophobicContact CD1-CE 3.76Å; F144-M170 HydrophobicContact CD2-CE 4.08Å; F144-M170 HydrophobicContact CE1-CE 3.99Å; F144-M170 HydrophobicContact CE2-CE 4.27Å; F144-M170 HydrophobicContact CG-CE 3.82Å; F144-M170 HydrophobicContact CZ-CE 4.23Å; E159-M170 WeakPolarHBondContact OE2-CE 3.38Å; V166-M170 HydrophobicContact CG1-CG 4Å; V166-M170 VanDerWaalsContact O-CB 3.26Å; V166-M170 WeakPolarHBondContact O-CB 3.48Å; V166-M170 VanDerWaalsContact O-CG 3.29Å; V166-M170 WeakPolarHBondContact O-CG 3.34Å; V166-M170 PolarHBondContact O-N 2.81Å; V167-M170 PolarHBondContact O-N 2.81Å; M170-I172 VanDerWaalsContact C-N 3.27Å; M170-I172 PolarHBondContact O-N 3.4Å; M170-M173 PolarHBondContact O-N 3.19Å; M170-T174 HydrophobicContact CE-CG2 3.55Å; M170-T174 WeakPolarHBondContact O-CB 3.12Å; M170-T174 PolarHBondContact O-N 3.41Å; M170-T174 PolarHBondContact O-OG1 3.32Å; M170-T174 HydrophobicContact SD-CG2 3.99Å; M170-L240 HydrophobicContact CG-CD2 3.9Å; M170-L240 HydrophobicContact SD-CB 3.86Å; M170-L240 HydrophobicContact SD-CD2 4.15Å
171R98.8Very high98.4Very high61 Ų6115.1 Ų15.123%0.239%0.086CC..Hα-helixtrans-57.8-40.1171.2-171.2177.7-179.7-99.6-2.1112.6G48 E50 N53 V167 A168 S169 M176G48-R171 PolarHBondContact O-NE 2.81Å; G48-R171 PolarHBondContact O-NH2 2.92Å; E50-R171 IonicContact OE1-NH1 2.78Å; E50-R171 IonicContact OE2-CZ 2.71Å; E50-R171 IonicContact OE2-NH1 2.71Å; E50-R171 PolarHBondContact OE2-NH1 3.21Å; E50-R171 IonicContact OE2-NH2 3.19Å; E50-R171 PolarHBondContact OE2-NH2 2.82Å; N53-R171 PolarHBondContact ND2-NH1 3.44Å; V167-R171 PolarHBondContact O-N 2.78Å; A168-R171 WeakPolarHBondContact O-CB 3.43Å; S169-R171 VanDerWaalsContact C-N 3.28Å; S169-R171 PolarHBondContact O-N 2.87Å; R171-M176 HydrophobicContact CB-CE 3.69Å; R171-M176 HydrophobicContact CG-CE 3.92Å
172I98.9Very high98.2Very high17 Ų1723.9 Ų23.99%0.08712%0.124CC..Hα-helixtrans-74.2-46.2176.8-65172000110.5A168 S169 M170 N330 G331 I356 P409A168-I172 PolarHBondContact O-N 3.14Å; S169-I172 PolarHBondContact O-N 3.02Å; S169-I172 VanDerWaalsContact O-N 3.14Å; M170-I172 VanDerWaalsContact C-N 3.27Å; M170-I172 PolarHBondContact O-N 3.4Å; I172-N330 CarbonylContact O-C 3.41Å; I172-N330 WeakPolarHBondContact O-CB 3.3Å; I172-G331 PolarHBondContact O-N 2.95Å; I172-I356 HydrophobicContact CD1-CD1 3.99Å; I172-I356 HydrophobicContact CD1-CG1 4.04Å; I172-P409 HydrophobicContact CG1-CG 4.48Å; I172-P409 HydrophobicContact CG2-CG 4.17Å
173M98.8Very high98Very high2 Ų226.4 Ų26.41%0.0115%0.146CC..Hα-helixtrans-84.3-14.8-167.9-66.5-54.8-54.400114.7S169 M170 L240 K243 E329 N330 G331 F333S169-M173 WeakPolarHBondContact O-CB 3.37Å; S169-M173 WeakPolarHBondContact O-CG 3.37Å; S169-M173 PolarHBondContact O-N 3.14Å; M170-M173 PolarHBondContact O-N 3.19Å; M173-L240 HydrophobicContact CG-CD1 4.17Å; M173-K243 HydrophobicContact CE-CD 4.38Å; M173-E329 HydrophobicContact CE-CB 4.41Å; M173-E329 WeakPolarHBondContact CE-OE1 3.39Å; M173-N330 PolarHBondContact O-N 2.82Å; M173-G331 WeakPolarHBondContact CE-O 3.24Å; M173-F333 HydrophobicContact CE-CB 3.84Å; M173-F333 HydrophobicContact SD-CB 3.96Å
174T98.8Very high97.9Very high2 Ų226.8 Ų26.81%0.01215%0.147CC..SBendtrans-134.9166.9-179.370.90000111F144 M146 M170 M176 N330F144-T174 HydrophobicContact CB-CG2 4.4Å; F144-T174 WeakPolarHBondContact CB-OG1 3.41Å; F144-T174 HydrophobicContact CD2-CG2 3.98Å; F144-T174 HydrophobicContact CG-CG2 4.39Å; M146-T174 HydrophobicContact SD-CG2 3.64Å; M170-T174 HydrophobicContact CE-CG2 3.55Å; M170-T174 WeakPolarHBondContact O-CB 3.12Å; M170-T174 PolarHBondContact O-N 3.41Å; M170-T174 PolarHBondContact O-OG1 3.32Å; M170-T174 HydrophobicContact SD-CG2 3.99Å; T174-M176 PolarHBondContact O-N 3.44Å; T174-N330 VanDerWaalsContact C-CB 3.42Å; T174-N330 WeakPolarHBondContact O-CB 3.32Å; T174-N330 PolarHBondContact O-ND2 2.91Å; T174-N330 VanDerWaalsContact O-ND2 3.11Å
175R98.6Very high97.7Very high23 Ų2327.9 Ų27.99%0.08716%0.16CC..EExtended strand (participates in β ladder)trans-83.997.1166.2-69.1111.3-176.3120.71.4108.1F144 S145 G147 I149 P328 E329 N330 D421F144-R175 CarbonylContact C-O 3.33Å; F144-R175 WeakPolarHBondContact CA-O 3.42Å; S145-R175 PolarHBondContact N-O 3.27Å; S145-R175 PolarHBondContact O-N 2.99Å; G147-R175 WeakPolarHBondContact O-CD 3.37Å; I149-R175 HydrophobicContact CD1-CB 4.16Å; I149-R175 HydrophobicContact CG1-CB 4.19Å; R175-P328 PolarHBondContact NH1-O 2.98Å; R175-E329 PolarHBondContact NH1-O 2.88Å; R175-E329 PolarHBondContact NH2-O 2.9Å; R175-N330 HydrophobicContact CG-CB 4.46Å; R175-D421 IonicContact CZ-OD1 2.73Å; R175-D421 IonicContact NE-OD1 3.63Å; R175-D421 PolarHBondContact NE-OD1 3.05Å; R175-D421 VanDerWaalsContact NE-OD1 3.09Å; R175-D421 IonicContact NH2-OD1 3.01Å; R175-D421 PolarHBondContact NH2-OD1 3.5Å
176M98.4Very high97.4Very high23 Ų2334.4 Ų34.411%0.11320%0.195CC..EExtended strand (participates in β ladder)trans-99.5146.1-169.6-170.8-88.4-86.500112.4C46 G48 I142 P143 V167 R171 T174C46-M176 HydrophobicContact CB-CE 4.26Å; C46-M176 HydrophobicContact CB-SD 3.71Å; G48-M176 VanDerWaalsContact CA-SD 3.53Å; I142-M176 HydrophobicContact CG2-CG 3.42Å; I142-M176 VanDerWaalsContact CG2-CG 3.42Å; I142-M176 HydrophobicContact CG2-SD 4.31Å; P143-M176 CarbonylContact O-C 3.26Å; P143-M176 WeakPolarHBondContact O-CA 3.14Å; V167-M176 HydrophobicContact CG1-CE 4.26Å; R171-M176 HydrophobicContact CB-CE 3.69Å; R171-M176 HydrophobicContact CG-CE 3.92Å; T174-M176 PolarHBondContact O-N 3.44Å
177G97.8Very high97.2Very high0 Ų036.1 Ų36.10%021%0.212CC..SBendtrans112.4-155.3164.200000115.7D47 P143 A179 A180 L181D47-G177 VanDerWaalsContact O-CA 3.29Å; D47-G177 WeakPolarHBondContact O-CA 3.46Å; P143-G177 PolarHBondContact O-N 2.94Å; G177-A179 VanDerWaalsContact C-N 3.25Å; G177-A179 PolarHBondContact O-N 3.42Å; G177-A180 WeakPolarHBondContact O-CB 3.15Å; G177-A180 PolarHBondContact O-N 3.4Å; G177-L181 PolarHBondContact O-N 2.82Å
178T97.2Very high97Very high83 Ų8343.8 Ų43.851%0.50925%0.248SC..Hα-helixtrans-59.4-32.9-171.4-51.70000113.4D47 A180 L181 K182D47-T178 PolarHBondContact O-N 3.34Å; D47-T178 VanDerWaalsContact O-N 3.12Å; T178-A180 VanDerWaalsContact C-N 3.33Å; T178-A180 PolarHBondContact O-N 3.12Å; T178-L181 PolarHBondContact O-N 2.91Å; T178-K182 WeakPolarHBondContact O-CB 3.42Å; T178-K182 PolarHBondContact O-N 2.77Å
179A96.7Very high97Very high59 Ų5944.4 Ų44.449%0.48825%0.251SS..Hα-helixtrans-63.3-39177.400000112.1I149 G177 K182 A183I149-A179 HydrophobicContact CD1-CB 3.73Å; G177-A179 VanDerWaalsContact C-N 3.25Å; G177-A179 PolarHBondContact O-N 3.42Å; A179-K182 PolarHBondContact O-N 3.04Å; A179-A183 WeakPolarHBondContact O-CB 3.5Å; A179-A183 PolarHBondContact O-N 3.27Å
180A97.5Very high96.9Very high0 Ų044.7 Ų44.70%025%0.253CS..Hα-helixtrans-68.4-40.9175.700000111.6P143 G177 T178 K182 A183 L184P143-A180 HydrophobicContact CB-CB 4.45Å; G177-A180 WeakPolarHBondContact O-CB 3.15Å; G177-A180 PolarHBondContact O-N 3.4Å; T178-A180 VanDerWaalsContact C-N 3.33Å; T178-A180 PolarHBondContact O-N 3.12Å; A180-K182 VanDerWaalsContact C-N 3.35Å; A180-K182 PolarHBondContact O-N 3.46Å; A180-A183 PolarHBondContact O-N 2.77Å; A180-L184 WeakPolarHBondContact O-CB 3.29Å; A180-L184 PolarHBondContact O-N 2.99Å
181L95.7Very high96.9Very high23 Ų2347.8 Ų47.812%0.1227%0.266CS..Hα-helixtrans-59.6-44.2172.6-75.5173000112.3L23 I45 P143 I158 G177 T178 A183 L184 G185L23-L181 HydrophobicContact CD2-CD1 3.92Å; L23-L181 HydrophobicContact CD2-CD2 4.34Å; I45-L181 HydrophobicContact CG2-CD1 4.44Å; P143-L181 HydrophobicContact CB-CB 4.48Å; P143-L181 HydrophobicContact CB-CD1 4.13Å; P143-L181 HydrophobicContact CB-CD2 3.53Å; P143-L181 HydrophobicContact CB-CG 3.36Å; P143-L181 HydrophobicContact CG-CD1 3.48Å; P143-L181 VanDerWaalsContact CG-CD1 3.48Å; P143-L181 HydrophobicContact CG-CD2 3.62Å; P143-L181 HydrophobicContact CG-CG 3.32Å; I158-L181 HydrophobicContact CD1-CD2 3.85Å; G177-L181 PolarHBondContact O-N 2.82Å; T178-L181 PolarHBondContact O-N 2.91Å; L181-A183 VanDerWaalsContact C-N 3.34Å; L181-A183 PolarHBondContact O-N 3.05Å; L181-L184 WeakPolarHBondContact O-CB 3.32Å; L181-L184 PolarHBondContact O-N 2.77Å; L181-G185 PolarHBondContact O-N 3.18Å
182K95.6Very high97Very high185 Ų18544.9 Ų44.980%0.80426%0.255SS*.Hα-helixtrans-65-40.8179.9-172.5179.9179.3-178.20111.5T178 A179 A180 L184T178-K182 WeakPolarHBondContact O-CB 3.42Å; T178-K182 PolarHBondContact O-N 2.77Å; A179-K182 PolarHBondContact O-N 3.04Å; A180-K182 VanDerWaalsContact C-N 3.35Å; A180-K182 PolarHBondContact O-N 3.46Å; K182-L184 VanDerWaalsContact C-N 3.31Å
183A95.2Very high97Very high57 Ų5744.2 Ų44.247%0.47125%0.251SS..Hα-helixtrans-67.7-32176.200000112.5I149 A179 A180 L181I149-A183 HydrophobicContact CG2-CB 3.73Å; A179-A183 WeakPolarHBondContact O-CB 3.5Å; A179-A183 PolarHBondContact O-N 3.27Å; A180-A183 PolarHBondContact O-N 2.77Å; L181-A183 VanDerWaalsContact C-N 3.34Å; L181-A183 PolarHBondContact O-N 3.05Å
184L95.7Very high97Very high14 Ų1444.1 Ų44.17%0.07325%0.251CS..Hα-helixtrans-62.9-50.2174.6-178.356.8000112.1V27 T156 I158 A180 L181 K182 N186 G187 F189V27-L184 HydrophobicContact CG2-CD2 3.72Å; T156-L184 HydrophobicContact CG2-CB 4.09Å; T156-L184 HydrophobicContact CG2-CD1 4.07Å; T156-L184 HydrophobicContact CG2-CD2 4.16Å; T156-L184 HydrophobicContact CG2-CG 4.34Å; I158-L184 HydrophobicContact CD1-CD2 4.17Å; I158-L184 HydrophobicContact CG1-CD2 4.45Å; A180-L184 WeakPolarHBondContact O-CB 3.29Å; A180-L184 PolarHBondContact O-N 2.99Å; L181-L184 WeakPolarHBondContact O-CB 3.32Å; L181-L184 PolarHBondContact O-N 2.77Å; K182-L184 VanDerWaalsContact C-N 3.31Å; L184-N186 PolarHBondContact O-N 3.49Å; L184-G187 VanDerWaalsContact CD1-O 3.3Å; L184-G187 WeakPolarHBondContact CD1-O 3.34Å; L184-G187 WeakPolarHBondContact O-CA 3.48Å; L184-G187 PolarHBondContact O-N 3.05Å; L184-F189 HydrophobicContact CD1-CB 3.84Å; L184-F189 HydrophobicContact CD1-CD1 4.33Å; L184-F189 HydrophobicContact CD2-CB 4.12Å; L184-F189 HydrophobicContact CD2-CD1 4.02Å; L184-F189 HydrophobicContact CD2-CG 4.19Å
185G93.9Very high97Very high32 Ų3244 Ų4433%0.3325%0.25SS..THydrogen-bonded Turntrans53.9-125.3-171.200000111P24 L181P24-G185 VanDerWaalsContact CB-O 3.28Å; P24-G185 WeakPolarHBondContact CB-O 3.14Å; P24-G185 WeakPolarHBondContact CG-O 3.39Å; L181-G185 PolarHBondContact O-N 3.18Å
186N93.1Very high97Very high138 Ų13843 Ų4374%0.73825%0.247SC*.THydrogen-bonded Turntrans-100.420.5173.3-61.9-35.6000112.7L184L184-N186 PolarHBondContact O-N 3.49Å
187G94.3Very high97Very high35 Ų3542.2 Ų42.236%0.36124%0.244SC..SBendtrans-74.2169.1178.400000112.9L184L184-G187 VanDerWaalsContact CD1-O 3.3Å; L184-G187 WeakPolarHBondContact CD1-O 3.34Å; L184-G187 WeakPolarHBondContact O-CA 3.48Å; L184-G187 PolarHBondContact O-N 3.05Å
188E95.1Very high97Very high164 Ų16443 Ų4377%0.76625%0.249SC*.  trans-68.9145.2174.3-64-175.7167.800111.5
189F98.4Very high97.1Very high15 Ų1540.3 Ų40.37%0.06623%0.234CC..  trans-138.4155.4173.862.1-81.3000110.9E26 V27 F30 T156 I158 L184 K191E26-F189 HydrophobicContact CB-CE1 3.95Å; E26-F189 HydrophobicContact CB-CZ 4.47Å; V27-F189 HydrophobicContact CG2-CD1 4.14Å; V27-F189 HydrophobicContact CG2-CE1 3.68Å; V27-F189 HydrophobicContact CG2-CZ 3.95Å; F30-F189 HydrophobicContact CB-CE2 4.45Å; F30-F189 HydrophobicContact CB-CZ 4.22Å; F30-F189 AromaticContact CD1-CE2 3.96Å; F30-F189 HydrophobicContact CD1-CE2 3.96Å; F30-F189 HydrophobicContact CG-CE2 4.3Å; T156-F189 VanDerWaalsContact O-CA 3.32Å; T156-F189 WeakPolarHBondContact O-CA 3.45Å; I158-F189 HydrophobicContact CB-CD2 3.84Å; I158-F189 HydrophobicContact CB-CE2 3.93Å; I158-F189 HydrophobicContact CG1-CD2 3.45Å; I158-F189 VanDerWaalsContact CG1-CD2 3.45Å; I158-F189 HydrophobicContact CG1-CE2 3.7Å; I158-F189 HydrophobicContact CG1-CG 4.02Å; I158-F189 HydrophobicContact CG1-CZ 4.46Å; L184-F189 HydrophobicContact CD1-CB 3.84Å; L184-F189 HydrophobicContact CD1-CD1 4.33Å; L184-F189 HydrophobicContact CD2-CB 4.12Å; L184-F189 HydrophobicContact CD2-CD1 4.02Å; L184-F189 HydrophobicContact CD2-CG 4.19Å; F189-K191 HydrophobicContact CD2-CG 4.22Å; F189-K191 HydrophobicContact CE2-CG 3.69Å; F189-K191 HydrophobicContact CZ-CG 4.31Å
190V98.7Very high97.1Very high6 Ų640.7 Ų40.74%0.03623%0.227CC..EExtended strand (participates in β ladder)trans-80.2125.2170.8177.50000109.4T156 G157 I158 R226 I228 F246 I250T156-V190 PolarHBondContact O-N 2.86Å; G157-V190 VanDerWaalsContact CA-O 3.25Å; G157-V190 WeakPolarHBondContact CA-O 3.45Å; I158-V190 PolarHBondContact N-O 3.46Å; V190-R226 WeakPolarHBondContact CA-O 3.47Å; V190-R226 WeakPolarHBondContact CG1-O 3.32Å; V190-I228 HydrophobicContact CG1-CD1 3.8Å; V190-I228 HydrophobicContact CG1-CG1 4.16Å; V190-F246 HydrophobicContact CB-CD1 4.44Å; V190-F246 HydrophobicContact CB-CD2 4.13Å; V190-F246 HydrophobicContact CB-CE1 4.2Å; V190-F246 HydrophobicContact CB-CE2 3.85Å; V190-F246 HydrophobicContact CB-CG 4.42Å; V190-F246 HydrophobicContact CB-CZ 3.87Å; V190-F246 HydrophobicContact CG1-CD1 4.45Å; V190-F246 HydrophobicContact CG1-CD2 4.39Å; V190-F246 HydrophobicContact CG1-CG 4.32Å; V190-F246 HydrophobicContact CG2-CD1 3.93Å; V190-F246 HydrophobicContact CG2-CD2 4.35Å; V190-F246 HydrophobicContact CG2-CE1 3.38Å; V190-F246 HydrophobicContact CG2-CE2 3.84Å; V190-F246 HydrophobicContact CG2-CG 4.4Å; V190-F246 HydrophobicContact CG2-CZ 3.3Å; V190-I250 HydrophobicContact CG2-CG2 4.15Å
191K98.9Very high97.1Very high64 Ų6446.3 Ų46.328%0.27826%0.264SS..EExtended strand (participates in β ladder)trans-83111.5179.5-67.9173.7-170.6172.50109.1F30 F189 R226 E227 I228F30-K191 HydrophobicContact CD2-CB 4.11Å; F30-K191 HydrophobicContact CD2-CD 3.95Å; F30-K191 HydrophobicContact CD2-CG 3.91Å; F30-K191 HydrophobicContact CE1-CB 4.3Å; F30-K191 HydrophobicContact CE2-CB 3.62Å; F30-K191 HydrophobicContact CE2-CD 4.21Å; F30-K191 HydrophobicContact CE2-CG 3.96Å; F30-K191 HydrophobicContact CG-CG 4.22Å; F30-K191 HydrophobicContact CZ-CB 3.73Å; F30-K191 HydrophobicContact CZ-CG 4.3Å; F189-K191 HydrophobicContact CD2-CG 4.22Å; F189-K191 HydrophobicContact CE2-CG 3.69Å; F189-K191 HydrophobicContact CZ-CG 4.31Å; K191-R226 PolarHBondContact N-O 3.24Å; K191-E227 HydrophobicContact CB-CG 3.7Å; K191-E227 HydrophobicContact CD-CG 3.85Å; K191-E227 HydrophobicContact CG-CG 4.39Å; K191-E227 IonicContact NZ-OE1 2.65Å; K191-E227 CarbonylContact O-C 3.49Å; K191-E227 WeakPolarHBondContact O-CA 3.46Å; K191-I228 PolarHBondContact O-N 3.27Å
192C98.9Very high97.2Very high0 Ų048.7 Ų48.70%028%0.276CS..EExtended strand (participates in β ladder)trans-111.6118.6-179.4-67.80000109.1I158 E159 L160 I228 L241I158-C192 WeakPolarHBondContact O-CB 3.37Å; I158-C192 PolarHBondContact O-N 3.16Å; E159-C192 CarbonylContact C-O 3.56Å; E159-C192 VanDerWaalsContact CA-O 3.31Å; E159-C192 WeakPolarHBondContact CA-O 3.14Å; E159-C192 HydrophobicContact CB-CB 3.71Å; E159-C192 HydrophobicContact CG-CB 4Å; L160-C192 PolarHBondContact N-O 3.33Å; C192-I228 CarbonylContact C-O 3.18Å; C192-I228 WeakPolarHBondContact CA-O 3.45Å; C192-L241 HydrophobicContact CB-CB 3.96Å; C192-L241 HydrophobicContact CB-CD1 3.68Å; C192-L241 HydrophobicContact CB-CG 4.45Å
193L98.9Very high96.9Very high3 Ų349 Ų492%0.01628%0.278CS..EExtended strand (participates in β ladder)trans-116.6123.4174.817866.1000109.3N34 F126 F130 M134 L160 I228 I229 S230N34-L193 HydrophobicContact CB-CD1 4.27Å; N34-L193 VanDerWaalsContact OD1-CD2 3.31Å; N34-L193 WeakPolarHBondContact OD1-CD2 3.39Å; F126-L193 HydrophobicContact CE2-CD2 4.03Å; F126-L193 HydrophobicContact CZ-CD2 4.38Å; F130-L193 HydrophobicContact CD1-CD2 3.53Å; F130-L193 HydrophobicContact CD1-CG 4.05Å; F130-L193 HydrophobicContact CE1-CD1 4.44Å; F130-L193 HydrophobicContact CE1-CD2 3.5Å; F130-L193 VanDerWaalsContact CE1-CD2 3.5Å; F130-L193 HydrophobicContact CE1-CG 3.61Å; F130-L193 HydrophobicContact CG-CD2 4.23Å; F130-L193 HydrophobicContact CZ-CD2 4.17Å; F130-L193 HydrophobicContact CZ-CG 4.37Å; M134-L193 HydrophobicContact CE-CD1 4.41Å; L160-L193 HydrophobicContact CB-CD1 3.99Å; L160-L193 HydrophobicContact CD1-CD1 4.35Å; L193-I228 PolarHBondContact N-O 3.32Å; L193-I229 HydrophobicContact CB-CG1 4.37Å; L193-I229 HydrophobicContact CD2-CG2 4.45Å; L193-I229 CarbonylContact O-C 3.43Å; L193-I229 WeakPolarHBondContact O-CA 3.31Å; L193-S230 PolarHBondContact O-N 3.42Å
194H98.9Very high96.6Very high0 Ų052.6 Ų52.60%028%0.284CS..EExtended strand (participates in β ladder)trans-129.8137.6179.4171.9-119.8000110.8M134 L160 T161 S230 S233 L241M134-H194 WeakPolarHBondContact CE-O 3.47Å; L160-H194 WeakPolarHBondContact O-CA 3.32Å; L160-H194 PolarHBondContact O-N 3.34Å; L160-H194 VanDerWaalsContact O-O 3.12Å; T161-H194 WeakPolarHBondContact CA-O 3.42Å; T161-H194 PolarHBondContact OG1-ND1 3.27Å; H194-S230 VanDerWaalsContact CA-O 3.27Å; H194-S230 WeakPolarHBondContact CA-O 3.5Å; H194-S233 PolarHBondContact NE2-O 3.15Å; H194-L241 HydrophobicContact CB-CD1 3.87Å; H194-L241 HydrophobicContact CB-CG 4.44Å
195S98.9Very high96.5Very high0 Ų057.5 Ų57.50%032%0.317CS..EExtended strand (participates in β ladder)trans-141.4140.5164.1172.50000110.9D162 G197 S230 F231 G232D162-S195 WeakPolarHBondContact OD1-CA 3.49Å; D162-S195 WeakPolarHBondContact OD2-CB 3.3Å; D162-S195 PolarHBondContact OD2-OG 3.26Å; S195-G197 PolarHBondContact O-N 3Å; S195-G197 PolarHBondContact OG-N 3.14Å; S195-S230 PolarHBondContact N-O 3.48Å; S195-S230 VanDerWaalsContact N-O 3.07Å; S195-F231 CarbonylContact O-C 3.51Å; S195-F231 WeakPolarHBondContact O-CA 3.41Å; S195-G232 PolarHBondContact O-N 2.82Å
196V98.8Very high96.5Very high3 Ų358.7 Ų58.72%0.01832%0.316CS..  trans-66.7-14.4170.8-61.40000113D162 C198 P211 C212 N213 G232D162-V196 PolarHBondContact OD1-N 2.69Å; D162-V196 PolarHBondContact OD2-N 2.82Å; V196-C198 HydrophobicContact CG2-CB 4.2Å; V196-P211 HydrophobicContact CB-CB 3.92Å; V196-P211 HydrophobicContact CG1-CB 4.36Å; V196-P211 HydrophobicContact CG2-CB 3.57Å; V196-C212 CarbonylContact O-C 3.44Å; V196-N213 PolarHBondContact O-N 3.32Å; V196-G232 WeakPolarHBondContact O-CA 3.1Å
197G98.4Very high96.7Very high5 Ų555.6 Ų55.65%0.05230%0.298CS..SBendtrans75.728173.600000114.6S195 N213S195-G197 PolarHBondContact O-N 3Å; S195-G197 PolarHBondContact OG-N 3.14Å; G197-N213 PolarHBondContact O-ND2 2.96Å; G197-N213 VanDerWaalsContact O-ND2 3.16Å
198C98.3Very high96.8Very high16 Ų1656.2 Ų56.211%0.10829%0.293CS..  trans-126.266.1-176.5-560000111.9R137 V196 L202 P211 C212R137-C198 VanDerWaalsContact CZ-O 3.22Å; R137-C198 PolarHBondContact NE-O 2.83Å; R137-C198 PolarHBondContact NH2-O 3.32Å; V196-C198 HydrophobicContact CG2-CB 4.2Å; C198-L202 HydrophobicContact CB-CD2 4.18Å; C198-P211 HydrophobicContact CB-CB 4.15Å; C198-C212 VanDerWaalsContact SG-C 3.52Å; C198-C212 PolarHBondContact SG-N 3.4Å; C198-C212 VanDerWaalsContact SG-N 3.38Å; C198-C212 PolarHBondContact SG-O 2.88Å
199P98.3Very high97Very high28 Ų2852.2 Ų52.218%0.18228%0.277CS..PPolyproline II helixtrans-59.2153.6178.125.6-34.3000111.9G132 C133 Q135 P201G132-P199 WeakPolarHBondContact O-CB 3.49Å; C133-P199 WeakPolarHBondContact O-CB 3.17Å; Q135-P199 HydrophobicContact CB-CB 4.03Å; P199-P201 CarbonylContact O-C 3.56Å
200L97.8Very high97Very high67 Ų6751.8 Ų51.835%0.35128%0.275SS..SBendtrans-94.1147175.3-59.9-174.2000111.8Q135 G136 L202Q135-L200 PolarHBondContact O-N 2.76Å; G136-L200 WeakPolarHBondContact O-CD1 3.35Å; L200-L202 HydrophobicContact CD2-CD2 3.65Å; L200-L202 HydrophobicContact CD2-CG 3.64Å
201P97.9Very high96.9Very high118 Ų11851.9 Ų51.977%0.76628%0.276SS*.SBendcis-65.2146.7-6.929.5-35.7000111.8P199 K203P199-P201 CarbonylContact O-C 3.56Å; P201-K203 PolarHBondContact O-N 3.5Å
202L96.4Very high96.9Very high72 Ų7249.5 Ų49.538%0.37727%0.267SS..PPolyproline II helixtrans-60.3136.6-176.4-66.6174000111.3C198 L200 L206C198-L202 HydrophobicContact CB-CD2 4.18Å; L200-L202 HydrophobicContact CD2-CD2 3.65Å; L200-L202 HydrophobicContact CD2-CG 3.64Å; L202-L206 HydrophobicContact CD1-CD1 4.17Å; L202-L206 HydrophobicContact CD1-CD2 4.26Å; L202-L206 HydrophobicContact CD1-CG 3.75Å; L202-L206 HydrophobicContact CD2-CD2 4.22Å
203K90.5Very high96.9Very high193 Ų19351.1 Ų51.184%0.83928%0.276SS*.SBendtrans-78.2-30173.3-64-178-178.2176.80112.6P201P201-K203 PolarHBondContact O-N 3.5Å
204E88.3Confident96.8Very high132 Ų13251.8 Ų51.862%0.61728%0.281SS*.SBendtrans-137.8151.6179.8-65-174.3-177.500110.3
205P92.8Very high96.7Very high117 Ų11757.3 Ų57.376%0.7631%0.306SS*.PPolyproline II helixtrans-61141.7174.5-20.632.4000112.1
206L95.9Very high96.7Very high57 Ų5760.3 Ų60.330%0.29832%0.322SS..PPolyproline II helixtrans-73135.8172.5-61.5-177.9000110.7L202 P211L202-L206 HydrophobicContact CD1-CD1 4.17Å; L202-L206 HydrophobicContact CD1-CD2 4.26Å; L202-L206 HydrophobicContact CD1-CG 3.75Å; L202-L206 HydrophobicContact CD2-CD2 4.22Å; L206-P211 HydrophobicContact CD1-CG 3.99Å; L206-P211 HydrophobicContact CD2-CB 4.31Å; L206-P211 HydrophobicContact CD2-CG 4.4Å
207I97.3Very high96.7Very high72 Ų7260.4 Ų60.437%0.36932%0.323SS..SBendtrans-86.7127.6166.8-57.4-175.9000107.4D81 N209 W210D81-I207 HydrophobicContact CB-CB 4.36Å; D81-I207 WeakPolarHBondContact OD2-CB 3.45Å; D81-I207 WeakPolarHBondContact OD2-CD1 3.49Å; I207-N209 PolarHBondContact O-N 3.03Å; I207-N209 VanDerWaalsContact O-N 3.14Å; I207-W210 WeakPolarHBondContact O-CB 3.24Å; I207-W210 PolarHBondContact O-N 3.39Å
208N96.3Very high96.7Very high48 Ų4860.9 Ų60.926%0.25732%0.324SS..THydrogen-bonded Turntrans53.929.9179.9-58-23.7000114.8L79 T80 W210L79-N208 WeakPolarHBondContact O-CB 3.34Å; T80-N208 PolarHBondContact O-ND2 3.28Å; N208-W210 PolarHBondContact O-N 3.48Å; N208-W210 VanDerWaalsContact O-N 3.14Å
209N97.8Very high96.7Very high81 Ų8160.1 Ų60.143%0.43332%0.319SS..THydrogen-bonded Turntrans52.731.1-173.9-57.6-50000113.5G64 I207 P211G64-N209 WeakPolarHBondContact O-CB 3.33Å; G64-N209 PolarHBondContact O-ND2 3.49Å; G64-N209 VanDerWaalsContact O-ND2 3.09Å; I207-N209 PolarHBondContact O-N 3.03Å; I207-N209 VanDerWaalsContact O-N 3.14Å; N209-P211 WeakPolarHBondContact O-CD 3.31Å
210W98.4Very high96.8Very high5 Ų558.8 Ų58.82%0.01931%0.31CS..  trans-109.1102.6-179.8-173.3-96.2000110.9M65 A78 T80 D81 D84 Y165 I207 N208 C212 G234M65-W210 HydrophobicContact CG-CE3 4.47Å; A78-W210 HydrophobicContact CB-CZ3 4.31Å; T80-W210 HydrophobicContact CG2-CD2 3.75Å; T80-W210 HydrophobicContact CG2-CE3 3.95Å; T80-W210 HydrophobicContact CG2-CG 4.4Å; T80-W210 HydrophobicContact CG2-CH2 3.81Å; T80-W210 HydrophobicContact CG2-CZ2 3.57Å; T80-W210 HydrophobicContact CG2-CZ3 4Å; D81-W210 HydrophobicContact CB-CB 4.43Å; D81-W210 HydrophobicContact CB-CG 4.49Å; D84-W210 PolarHBondContact OD2-NE1 2.97Å; Y165-W210 AromaticContact CD1-CH2 3.67Å; Y165-W210 HydrophobicContact CD1-CH2 3.67Å; Y165-W210 HydrophobicContact CD1-CZ3 4.25Å; Y165-W210 HydrophobicContact CD2-CH2 4.1Å; Y165-W210 AromaticContact CD2-CZ3 3.94Å; Y165-W210 HydrophobicContact CD2-CZ3 3.94Å; Y165-W210 AromaticContact CE1-CH2 3.8Å; Y165-W210 HydrophobicContact CE1-CH2 3.8Å; Y165-W210 HydrophobicContact CE2-CH2 4.18Å; Y165-W210 HydrophobicContact CE2-CZ3 4.25Å; Y165-W210 AromaticContact CG-CH2 3.85Å; Y165-W210 HydrophobicContact CG-CH2 3.85Å; Y165-W210 AromaticContact CG-CZ3 3.94Å; Y165-W210 HydrophobicContact CG-CZ3 3.94Å; I207-W210 WeakPolarHBondContact O-CB 3.24Å; I207-W210 PolarHBondContact O-N 3.39Å; N208-W210 PolarHBondContact O-N 3.48Å; N208-W210 VanDerWaalsContact O-N 3.14Å; W210-C212 PolarHBondContact O-N 2.89Å; W210-G234 VanDerWaalsContact CZ2-C 3.44Å
211P98.2Very high96.8Very high8 Ų855.6 Ų55.65%0.05229%0.293CS..  trans-64.4120.5173.7-20.233.4000111.2M65 V196 C198 L206 N209M65-P211 HydrophobicContact CE-CG 4.11Å; V196-P211 HydrophobicContact CB-CB 3.92Å; V196-P211 HydrophobicContact CG1-CB 4.36Å; V196-P211 HydrophobicContact CG2-CB 3.57Å; C198-P211 HydrophobicContact CB-CB 4.15Å; L206-P211 HydrophobicContact CD1-CG 3.99Å; L206-P211 HydrophobicContact CD2-CB 4.31Å; L206-P211 HydrophobicContact CD2-CG 4.4Å; N209-P211 WeakPolarHBondContact O-CD 3.31Å
212C98.4Very high96.9Very high14 Ų1450.2 Ų50.210%0.09526%0.258CS..  trans-155.1162.6168.463.30000109.9D81 D84 V196 C198 W210D81-C212 VanDerWaalsContact CB-SG 3.53Å; D84-C212 HydrophobicContact CB-CB 3.99Å; V196-C212 CarbonylContact O-C 3.44Å; C198-C212 VanDerWaalsContact SG-C 3.52Å; C198-C212 PolarHBondContact SG-N 3.4Å; C198-C212 VanDerWaalsContact SG-N 3.38Å; C198-C212 PolarHBondContact SG-O 2.88Å; W210-C212 PolarHBondContact O-N 2.89Å
213N98.3Very high97Very high34 Ų3446.9 Ų46.918%0.18224%0.241CC..  trans-130.778.5175-167.8-40.2000109.1V196 G197 E215 L216 T217 F231 G232V196-N213 PolarHBondContact O-N 3.32Å; G197-N213 PolarHBondContact O-ND2 2.96Å; G197-N213 VanDerWaalsContact O-ND2 3.16Å; N213-E215 PolarHBondContact O-N 2.82Å; N213-L216 PolarHBondContact O-N 3.14Å; N213-L216 WeakPolarHBondContact OD1-CB 3.19Å; N213-L216 PolarHBondContact OD1-N 3.14Å; N213-L216 VanDerWaalsContact OD1-N 3.13Å; N213-T217 PolarHBondContact O-N 2.86Å; N213-T217 PolarHBondContact O-OG1 2.94Å; N213-F231 HydrophobicContact CB-CE1 4.38Å; N213-G232 CarbonylContact C-O 3.56Å; N213-G232 PolarHBondContact N-O 2.84Å
214P97.4Very high97.3Very high18 Ų1841.9 Ų41.912%0.11722%0.223CC..THydrogen-bonded Turntrans-58.6-32.6-172.9-27.637.7000113.4R83 K91 T217R83-P214 HydrophobicContact CB-CB 3.93Å; R83-P214 HydrophobicContact CB-CG 3.6Å; R83-P214 HydrophobicContact CG-CG 4.44Å; K91-P214 PolarHBondContact NZ-O 3.04Å; P214-T217 WeakPolarHBondContact CA-OG1 3.23Å; P214-T217 PolarHBondContact O-OG1 3.4Å
215E97.1Very high97.7Very high115 Ų11540.2 Ų40.254%0.53721%0.211SC..THydrogen-bonded Turntrans-68-47.3-178.3-65.768.6-15000110.3R83 K91 N213R83-E215 IonicContact NH1-OE1 2.66Å; R83-E215 PolarHBondContact NH1-OE1 2.77Å; K91-E215 PolarHBondContact NZ-O 3.05Å; N213-E215 PolarHBondContact O-N 2.82Å
216L98Very high97.9Very high64 Ų6437.5 Ų37.534%0.33519%0.186SC..THydrogen-bonded Turntrans-90.11.2-178.1-63.4-179000114.5R129 N213 L218 F231R129-L216 PolarHBondContact NE-O 2.8Å; R129-L216 PolarHBondContact NH2-O 3.04Å; N213-L216 PolarHBondContact O-N 3.14Å; N213-L216 WeakPolarHBondContact OD1-CB 3.19Å; N213-L216 PolarHBondContact OD1-N 3.14Å; N213-L216 VanDerWaalsContact OD1-N 3.13Å; L216-L218 PolarHBondContact O-N 2.85Å; L216-F231 HydrophobicContact CB-CD1 4.02Å; L216-F231 HydrophobicContact CB-CE1 3.77Å; L216-F231 HydrophobicContact CD1-CE1 4.21Å
217T98.7Very high98.1Very high5 Ų536.7 Ų36.73%0.03118%0.18CC..  trans-47.7132.1-179.5-55.30000112.2I88 K91 N213 P214 I219 F231 G232I88-T217 HydrophobicContact CD1-CG2 4.14Å; K91-T217 HydrophobicContact CD-CG2 4.25Å; K91-T217 WeakPolarHBondContact CD-O 3.42Å; N213-T217 PolarHBondContact O-N 2.86Å; N213-T217 PolarHBondContact O-OG1 2.94Å; P214-T217 WeakPolarHBondContact CA-OG1 3.23Å; P214-T217 PolarHBondContact O-OG1 3.4Å; T217-I219 HydrophobicContact CG2-CD1 3.74Å; T217-F231 CarbonylContact C-O 3.24Å; T217-F231 WeakPolarHBondContact CA-O 3.24Å; T217-G232 PolarHBondContact OG1-O 2.81Å
218L98.8Very high98.2Very high14 Ų1433.2 Ų33.27%0.07316%0.163CC..EExtended strand (participates in β ladder)trans-155.9128.8176.9-178.666.7000109.1V93 M117 F122 A125 L216 S230 F231V93-L218 HydrophobicContact CG2-CD1 3.89Å; M117-L218 HydrophobicContact CE-CD1 4.08Å; F122-L218 HydrophobicContact CD2-CD2 4.44Å; F122-L218 HydrophobicContact CE2-CD2 4.42Å; A125-L218 HydrophobicContact CB-CD2 3.84Å; L216-L218 PolarHBondContact O-N 2.85Å; L218-S230 CarbonylContact O-C 3.55Å; L218-S230 WeakPolarHBondContact O-CA 3.32Å; L218-F231 PolarHBondContact N-O 2.96Å; L218-F231 PolarHBondContact O-N 3.16Å
219I98.9Very high98.3Very high0 Ų031.6 Ų31.60%015%0.154CC..EExtended strand (participates in β ladder)trans-11999.9177.7-53.587.5000108K91 T92 V93 T217 N238K91-I219 PolarHBondContact O-N 2.95Å; T92-I219 CarbonylContact C-O 3.55Å; T92-I219 VanDerWaalsContact CA-O 3.31Å; T92-I219 WeakPolarHBondContact CA-O 3.33Å; T92-I219 HydrophobicContact CG2-CB 4.43Å; V93-I219 PolarHBondContact N-O 3.35Å; T217-I219 HydrophobicContact CG2-CD1 3.74Å; I219-N238 HydrophobicContact CD1-CB 4.22Å; I219-N238 HydrophobicContact CG1-CB 3.9Å
220A98.9Very high98.4Very high0 Ų027.8 Ų27.80%013%0.133CC..EExtended strand (participates in β ladder)trans-106.5146.4-173.400000112.5V93 I95 F122 I229V93-A220 HydrophobicContact CG2-CB 3.98Å; V93-A220 WeakPolarHBondContact O-CA 3.4Å; I95-A220 HydrophobicContact CD1-CB 3.66Å; F122-A220 HydrophobicContact CD2-CB 3.8Å; F122-A220 HydrophobicContact CE2-CB 3.27Å; F122-A220 HydrophobicContact CZ-CB 4.07Å; A220-I229 HydrophobicContact CB-CB 4.47Å; A220-I229 WeakPolarHBondContact CB-O 3.46Å; A220-I229 PolarHBondContact N-O 2.97Å; A220-I229 PolarHBondContact O-N 2.72Å
221H98.9Very high98.4Very high1 Ų127.9 Ų27.91%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-131.8124.6178.7-45.773.5000108.5V93 I94 I95 P223 C245 R249 I250V93-H221 PolarHBondContact O-N 3.37Å; V93-H221 PolarHBondContact O-ND1 2.9Å; I94-H221 WeakPolarHBondContact CA-O 3.38Å; I94-H221 HydrophobicContact CG1-CB 4.17Å; I95-H221 PolarHBondContact N-O 2.79Å; H221-P223 WeakPolarHBondContact O-CD 3.49Å; H221-C245 WeakPolarHBondContact NE2-CA 3.4Å; H221-C245 VanDerWaalsContact NE2-CB 3.32Å; H221-C245 WeakPolarHBondContact NE2-CB 3.31Å; H221-C245 PolarHBondContact NE2-SG 3.12Å; H221-C245 VanDerWaalsContact NE2-SG 3.45Å; H221-R249 PolarHBondContact CE1-NH1 3.21Å; H221-R249 WeakPolarHBondContact NE2-CD 3.27Å; H221-R249 PolarHBondContact NE2-NH1 3.34Å; H221-I250 HydrophobicContact CB-CD1 4.02Å
222L98.8Very high98.4Very high5 Ų527.5 Ų27.53%0.02613%0.131CC..EExtended strand (participates in β ladder)trans-117.980.3179.9-58.989.8000107.8I95 F122 D224 R225 R226 E227 I229I95-L222 HydrophobicContact CB-CD2 4.47Å; I95-L222 HydrophobicContact CB-CG 4.09Å; I95-L222 HydrophobicContact CD1-CD1 4.46Å; I95-L222 HydrophobicContact CD1-CG 4.32Å; I95-L222 HydrophobicContact CG1-CG 4.42Å; I95-L222 HydrophobicContact CG2-CD2 4.48Å; F122-L222 HydrophobicContact CD1-CD2 3.92Å; F122-L222 HydrophobicContact CE1-CD1 3.91Å; F122-L222 HydrophobicContact CE1-CD2 3.76Å; F122-L222 HydrophobicContact CE1-CG 4.38Å; F122-L222 HydrophobicContact CZ-CD1 3.94Å; L222-D224 VanDerWaalsContact C-N 3.27Å; L222-D224 PolarHBondContact O-N 3.28Å; L222-R225 HydrophobicContact CB-CB 4.17Å; L222-R225 HydrophobicContact CB-CG 4.47Å; L222-R225 CarbonylContact O-C 3.51Å; L222-R225 PolarHBondContact O-N 2.9Å; L222-R225 VanDerWaalsContact O-N 3.09Å; L222-R226 PolarHBondContact O-N 3.41Å; L222-R226 VanDerWaalsContact O-N 3.08Å; L222-E227 HydrophobicContact CB-CB 4.11Å; L222-E227 HydrophobicContact CD1-CB 4.2Å; L222-E227 PolarHBondContact N-O 2.8Å; L222-E227 PolarHBondContact O-N 3.47Å; L222-E227 VanDerWaalsContact O-N 3.13Å; L222-I229 HydrophobicContact CD1-CD1 3.91Å; L222-I229 HydrophobicContact CD1-CG1 4.27Å
223P98.3Very high98.4Very high2 Ų226.8 Ų26.81%0.01313%0.127CC..G310 helixtrans-56.9-38.5-173.320.6-32.7000113.2I94 I95 T96 H221 R225 R226 I250 R253I94-P223 HydrophobicContact CG2-CG 4.15Å; I95-P223 WeakPolarHBondContact O-CD 3.31Å; T96-P223 HydrophobicContact CG2-CG 3.99Å; H221-P223 WeakPolarHBondContact O-CD 3.49Å; P223-R225 PolarHBondContact O-N 2.89Å; P223-R226 WeakPolarHBondContact O-CD 3.41Å; P223-R226 PolarHBondContact O-N 2.81Å; P223-R226 VanDerWaalsContact O-N 3.12Å; P223-R226 PolarHBondContact O-NH1 3.4Å; P223-I250 HydrophobicContact CB-CD1 4.19Å; P223-R253 HydrophobicContact CB-CB 4.26Å; P223-R253 HydrophobicContact CB-CG 3.88Å
224D97.4Very high98.4Very high87 Ų8725.2 Ų25.247%0.46512%0.119SC..G310 helixtrans-68.9-24.4-178.3-58.9-26.3000112.6P97 L222P97-D224 WeakPolarHBondContact CD-OD2 3.42Å; L222-D224 VanDerWaalsContact C-N 3.27Å; L222-D224 PolarHBondContact O-N 3.28Å
225R97.3Very high98.3Very high98 Ų9824.6 Ų24.637%0.3711%0.114SC..G310 helixtrans-96.9-2.2175.1-56.9-173.7-172.5176.43.6113.2E119 E123 L222 P223 E227E119-R225 IonicContact OE2-NH2 4Å; E119-R225 PolarHBondContact OE2-NH2 2.92Å; E119-R225 VanDerWaalsContact OE2-NH2 3.11Å; E123-R225 IonicContact OE1-CZ 2.73Å; E123-R225 IonicContact OE1-NH1 3.2Å; E123-R225 PolarHBondContact OE1-NH1 3.03Å; E123-R225 VanDerWaalsContact OE1-NH1 3.09Å; E123-R225 IonicContact OE1-NH2 3.09Å; L222-R225 HydrophobicContact CB-CB 4.17Å; L222-R225 HydrophobicContact CB-CG 4.47Å; L222-R225 CarbonylContact O-C 3.51Å; L222-R225 PolarHBondContact O-N 2.9Å; L222-R225 VanDerWaalsContact O-N 3.09Å; P223-R225 PolarHBondContact O-N 2.89Å; R225-E227 HydrophobicContact CB-CB 4.21Å; R225-E227 HydrophobicContact CB-CG 4.1Å; R225-E227 PolarHBondContact O-N 3.14Å
226R97.9Very high98.1Very high59 Ų5919.1 Ų19.122%0.2239%0.089CC..THydrogen-bonded Turntrans50.740.5-170-57.1-62-174-126.87.6112.3V190 K191 L222 P223 E257V190-R226 WeakPolarHBondContact CA-O 3.47Å; V190-R226 WeakPolarHBondContact CG1-O 3.32Å; K191-R226 PolarHBondContact N-O 3.24Å; L222-R226 PolarHBondContact O-N 3.41Å; L222-R226 VanDerWaalsContact O-N 3.08Å; P223-R226 WeakPolarHBondContact O-CD 3.41Å; P223-R226 PolarHBondContact O-N 2.81Å; P223-R226 VanDerWaalsContact O-N 3.12Å; P223-R226 PolarHBondContact O-NH1 3.4Å; R226-E257 IonicContact CZ-OE2 3.64Å; R226-E257 IonicContact NH1-OE2 2.69Å; R226-E257 IonicContact NH2-OE2 2.87Å; R226-E257 PolarHBondContact NH2-OE2 3.34Å
227E98.9Very high97.8Very high40 Ų4016.3 Ų16.319%0.1878%0.075CC..EExtended strand (participates in β ladder)trans-115.3141.2-176-80.2164.1-165.700112.2K191 L222 R225K191-E227 HydrophobicContact CB-CG 3.7Å; K191-E227 HydrophobicContact CD-CG 3.85Å; K191-E227 HydrophobicContact CG-CG 4.39Å; K191-E227 IonicContact NZ-OE1 2.65Å; K191-E227 CarbonylContact O-C 3.49Å; K191-E227 WeakPolarHBondContact O-CA 3.46Å; L222-E227 HydrophobicContact CB-CB 4.11Å; L222-E227 HydrophobicContact CD1-CB 4.2Å; L222-E227 PolarHBondContact N-O 2.8Å; L222-E227 PolarHBondContact O-N 3.47Å; L222-E227 VanDerWaalsContact O-N 3.13Å; R225-E227 HydrophobicContact CB-CB 4.21Å; R225-E227 HydrophobicContact CB-CG 4.1Å; R225-E227 PolarHBondContact O-N 3.14Å
228I98.9Very high97.7Very high0 Ų016.2 Ų16.20%07%0.074CC..EExtended strand (participates in β ladder)trans-124.7126169-61.6166.2000106.8V190 K191 C192 L193 L241 C245 F246 I250V190-I228 HydrophobicContact CG1-CD1 3.8Å; V190-I228 HydrophobicContact CG1-CG1 4.16Å; K191-I228 PolarHBondContact O-N 3.27Å; C192-I228 CarbonylContact C-O 3.18Å; C192-I228 WeakPolarHBondContact CA-O 3.45Å; L193-I228 PolarHBondContact N-O 3.32Å; I228-L241 HydrophobicContact CG2-CB 4.24Å; I228-L241 HydrophobicContact CG2-CD1 3.91Å; I228-L241 HydrophobicContact CG2-CD2 3.93Å; I228-L241 HydrophobicContact CG2-CG 4.25Å; I228-C245 HydrophobicContact CD1-CB 3.83Å; I228-C245 HydrophobicContact CG1-CB 4.33Å; I228-C245 HydrophobicContact CG2-CB 3.63Å; I228-F246 HydrophobicContact CD1-CB 3.64Å; I228-F246 HydrophobicContact CD1-CG 4.45Å; I228-I250 HydrophobicContact CD1-CG1 3.8Å; I228-I250 HydrophobicContact CG1-CD1 4.28Å; I228-I250 HydrophobicContact CG1-CG1 3.65Å
229I98.9Very high97.7Very high14 Ų1415.5 Ų15.57%0.0727%0.071CC..EExtended strand (participates in β ladder)trans-129.1113.1-176.7-62.8173.2000108.4F122 F126 F130 L193 A220 L222F122-I229 HydrophobicContact CE1-CD1 3.95Å; F122-I229 HydrophobicContact CZ-CB 4.03Å; F122-I229 HydrophobicContact CZ-CD1 3.58Å; F122-I229 HydrophobicContact CZ-CG1 4.35Å; F122-I229 HydrophobicContact CZ-CG2 4.1Å; F126-I229 HydrophobicContact CD2-CD1 4.19Å; F126-I229 HydrophobicContact CD2-CG2 3.95Å; F126-I229 HydrophobicContact CE2-CD1 3.93Å; F126-I229 HydrophobicContact CE2-CG2 3.97Å; F130-I229 HydrophobicContact CD2-CG2 4.22Å; F130-I229 HydrophobicContact CE1-CG2 4.23Å; F130-I229 HydrophobicContact CE2-CG2 3.28Å; F130-I229 HydrophobicContact CZ-CG2 3.28Å; L193-I229 HydrophobicContact CB-CG1 4.37Å; L193-I229 HydrophobicContact CD2-CG2 4.45Å; L193-I229 CarbonylContact O-C 3.43Å; L193-I229 WeakPolarHBondContact O-CA 3.31Å; A220-I229 HydrophobicContact CB-CB 4.47Å; A220-I229 WeakPolarHBondContact CB-O 3.46Å; A220-I229 PolarHBondContact N-O 2.97Å; A220-I229 PolarHBondContact O-N 2.72Å; L222-I229 HydrophobicContact CD1-CD1 3.91Å; L222-I229 HydrophobicContact CD1-CG1 4.27Å
230S98.9Very high97.7Very high0 Ų015.5 Ų15.50%07%0.071CC..EExtended strand (participates in β ladder)trans-122.7132.9-176.7-1710000111.4L193 H194 S195 L218 N238L193-S230 PolarHBondContact O-N 3.42Å; H194-S230 VanDerWaalsContact CA-O 3.27Å; H194-S230 WeakPolarHBondContact CA-O 3.5Å; S195-S230 PolarHBondContact N-O 3.48Å; S195-S230 VanDerWaalsContact N-O 3.07Å; L218-S230 CarbonylContact O-C 3.55Å; L218-S230 WeakPolarHBondContact O-CA 3.32Å; S230-N238 WeakPolarHBondContact CB-O 3.3Å; S230-N238 PolarHBondContact OG-O 3.46Å
231F98.9Very high97.7Very high7 Ų715.5 Ų15.53%0.0317%0.071CC..EExtended strand (participates in β ladder)trans-133.2141.7-177.7-168.7-92.7000111R129 F130 C133 S195 N213 L216 T217 L218 S233R129-F231 HydrophobicContact CB-CD1 4.03Å; R129-F231 HydrophobicContact CB-CD2 3.8Å; R129-F231 HydrophobicContact CB-CE1 4.06Å; R129-F231 HydrophobicContact CB-CE2 3.82Å; R129-F231 HydrophobicContact CB-CG 3.89Å; R129-F231 HydrophobicContact CB-CZ 3.94Å; R129-F231 HydrophobicContact CG-CD1 3.8Å; R129-F231 HydrophobicContact CG-CD2 4.46Å; R129-F231 HydrophobicContact CG-CE1 3.93Å; R129-F231 HydrophobicContact CG-CG 4.07Å; R129-F231 HydrophobicContact CG-CZ 4.3Å; R129-F231 WeakPolarHBondContact O-CE2 3.29Å; R129-F231 WeakPolarHBondContact O-CZ 3.31Å; F130-F231 HydrophobicContact CD1-CD2 4.34Å; F130-F231 HydrophobicContact CD2-CD2 4.28Å; F130-F231 HydrophobicContact CE1-CD2 4.02Å; F130-F231 HydrophobicContact CE2-CB 3.96Å; F130-F231 AromaticContact CE2-CD2 3.96Å; F130-F231 HydrophobicContact CE2-CD2 3.96Å; F130-F231 HydrophobicContact CE2-CG 4.34Å; F130-F231 HydrophobicContact CG-CD2 4.46Å; F130-F231 HydrophobicContact CZ-CB 3.85Å; F130-F231 AromaticContact CZ-CD2 3.83Å; F130-F231 HydrophobicContact CZ-CD2 3.83Å; F130-F231 HydrophobicContact CZ-CG 4.32Å; C133-F231 HydrophobicContact CB-CE2 3.76Å; C133-F231 HydrophobicContact CB-CZ 4.45Å; S195-F231 CarbonylContact O-C 3.51Å; S195-F231 WeakPolarHBondContact O-CA 3.41Å; N213-F231 HydrophobicContact CB-CE1 4.38Å; L216-F231 HydrophobicContact CB-CD1 4.02Å; L216-F231 HydrophobicContact CB-CE1 3.77Å; L216-F231 HydrophobicContact CD1-CE1 4.21Å; T217-F231 CarbonylContact C-O 3.24Å; T217-F231 WeakPolarHBondContact CA-O 3.24Å; L218-F231 PolarHBondContact N-O 2.96Å; L218-F231 PolarHBondContact O-N 3.16Å; F231-S233 PolarHBondContact O-N 2.86Å
232G98.5Very high97.7Very high0 Ų015.5 Ų15.50%07%0.07CC..SBendtrans842.7161.600000116.5S195 V196 N213 T217S195-G232 PolarHBondContact O-N 2.82Å; V196-G232 WeakPolarHBondContact O-CA 3.1Å; N213-G232 CarbonylContact C-O 3.56Å; N213-G232 PolarHBondContact N-O 2.84Å; T217-G232 PolarHBondContact OG1-O 2.81Å
233S98.8Very high97.6Very high0 Ų015.7 Ų15.70%07%0.071CC..  trans-135.1124.3-180173.20000110.1D84 H194 F231 Y235 N238D84-S233 WeakPolarHBondContact OD1-CB 3.33Å; D84-S233 PolarHBondContact OD1-OG 3.13Å; H194-S233 PolarHBondContact NE2-O 3.15Å; F231-S233 PolarHBondContact O-N 2.86Å; S233-Y235 PolarHBondContact OG-N 2.97Å; S233-N238 WeakPolarHBondContact OG-CB 3.25Å; S233-N238 PolarHBondContact OG-ND2 2.73Å
234G97.9Very high97.6Very high1 Ų116 Ų161%0.017%0.072CC..  trans-87.6-9.4172.800000113.1D84 W210 G236 S239D84-G234 PolarHBondContact OD2-N 2.95Å; W210-G234 VanDerWaalsContact CZ2-C 3.44Å; G234-G236 PolarHBondContact O-N 3.26Å; G234-S239 VanDerWaalsContact C-OG 3.24Å; G234-S239 WeakPolarHBondContact O-CB 3.24Å; G234-S239 PolarHBondContact O-OG 2.94Å
235Y96.3Very high97.7Very high5 Ų511.8 Ų11.82%0.025%0.05CC..SBendtrans-72.3123.5-174.7170.5-92.3000113.3D84 V85 A86 R87 S233 G237 N238 S239 N403D84-Y235 WeakPolarHBondContact OD1-CB 3.44Å; D84-Y235 PolarHBondContact OD2-N 2.91Å; V85-Y235 VanDerWaalsContact O-CE2 3.27Å; V85-Y235 WeakPolarHBondContact O-CE2 3.3Å; A86-Y235 VanDerWaalsContact C-CD1 3.42Å; A86-Y235 VanDerWaalsContact C-CE1 3.45Å; A86-Y235 VanDerWaalsContact CA-CE1 3.45Å; A86-Y235 WeakPolarHBondContact O-CD1 3.47Å; R87-Y235 HydrophobicContact CG-CE1 4.44Å; S233-Y235 PolarHBondContact OG-N 2.97Å; Y235-G237 PolarHBondContact O-N 2.79Å; Y235-G237 VanDerWaalsContact O-N 3.09Å; Y235-N238 WeakPolarHBondContact O-CB 3.39Å; Y235-N238 PolarHBondContact O-N 3.26Å; Y235-S239 VanDerWaalsContact C-OG 3.23Å; Y235-S239 PolarHBondContact O-N 3.41Å; Y235-S239 PolarHBondContact O-OG 3.23Å; Y235-N403 PolarHBondContact OH-ND2 2.79Å
236G92.8Very high97.8Very high0 Ų07.1 Ų7.10%03%0.032CC..Hα-helixtrans21.9-98.4158.500000116.8G234 N238 S239 L240G234-G236 PolarHBondContact O-N 3.26Å; G236-N238 PolarHBondContact O-N 2.82Å; G236-N238 VanDerWaalsContact O-N 3.08Å; G236-S239 PolarHBondContact N-OG 3.23Å; G236-S239 PolarHBondContact O-N 3.23Å; G236-S239 VanDerWaalsContact O-N 3.12Å; G236-L240 WeakPolarHBondContact O-CB 3.27Å; G236-L240 WeakPolarHBondContact O-CG 3.43Å; G236-L240 PolarHBondContact O-N 3.4Å
237G90.6Very high97.8Very high5 Ų54.3 Ų4.35%0.0522%0.022CC..Hα-helixtrans-66-10.4-17300000116.1Y235Y235-G237 PolarHBondContact O-N 2.79Å; Y235-G237 VanDerWaalsContact O-N 3.09Å
238N97.8Very high97.8Very high2 Ų22.4 Ų2.41%0.0111%0.013CC..Hα-helixtrans-99.9-21.8176.5-53.2-29.2000111.9A86 R87 I219 S230 S233 Y235 G236 L241A86-N238 PolarHBondContact O-ND2 3.05Å; A86-N238 VanDerWaalsContact O-ND2 3.09Å; R87-N238 WeakPolarHBondContact CA-OD1 3.49Å; I219-N238 HydrophobicContact CD1-CB 4.22Å; I219-N238 HydrophobicContact CG1-CB 3.9Å; S230-N238 WeakPolarHBondContact CB-O 3.3Å; S230-N238 PolarHBondContact OG-O 3.46Å; S233-N238 WeakPolarHBondContact OG-CB 3.25Å; S233-N238 PolarHBondContact OG-ND2 2.73Å; Y235-N238 WeakPolarHBondContact O-CB 3.39Å; Y235-N238 PolarHBondContact O-N 3.26Å; G236-N238 PolarHBondContact O-N 2.82Å; G236-N238 VanDerWaalsContact O-N 3.08Å; N238-L241 WeakPolarHBondContact O-CD2 3.4Å
239S98.6Very high97.8Very high0 Ų02.9 Ų2.90%01%0.014CC..Hα-helixtrans-119-22.7-172.263.60000114.4V166 G234 Y235 G236 L241V166-S239 WeakPolarHBondContact CG1-O 3.42Å; G234-S239 VanDerWaalsContact C-OG 3.24Å; G234-S239 WeakPolarHBondContact O-CB 3.24Å; G234-S239 PolarHBondContact O-OG 2.94Å; Y235-S239 VanDerWaalsContact C-OG 3.23Å; Y235-S239 PolarHBondContact O-N 3.41Å; Y235-S239 PolarHBondContact O-OG 3.23Å; G236-S239 PolarHBondContact N-OG 3.23Å; G236-S239 PolarHBondContact O-N 3.23Å; G236-S239 VanDerWaalsContact O-N 3.12Å; S239-L241 PolarHBondContact O-N 3.35Å
240L98.8Very high97.8Very high0 Ų02.3 Ų2.30%01%0.011CC..  trans-87.379.6172.3-52.8-178.5000108.3V166 S169 M170 M173 G236 G242 K243 F333V166-L240 HydrophobicContact CG1-CD2 4.26Å; S169-L240 VanDerWaalsContact CB-CD2 3.42Å; M170-L240 HydrophobicContact CG-CD2 3.9Å; M170-L240 HydrophobicContact SD-CB 3.86Å; M170-L240 HydrophobicContact SD-CD2 4.15Å; M173-L240 HydrophobicContact CG-CD1 4.17Å; G236-L240 WeakPolarHBondContact O-CB 3.27Å; G236-L240 WeakPolarHBondContact O-CG 3.43Å; G236-L240 PolarHBondContact O-N 3.4Å; L240-G242 PolarHBondContact O-N 2.66Å; L240-G242 VanDerWaalsContact O-N 3.16Å; L240-K243 PolarHBondContact O-N 3.19Å; L240-F333 HydrophobicContact CD1-CD2 4.48Å; L240-F333 HydrophobicContact CD1-CE2 4.44Å
241L98.9Very high97.8Very high0 Ų02.3 Ų2.30%01%0.011CC..THydrogen-bonded Turntrans-67.3-22.7-163-60-173000113.1E159 C192 H194 I228 N238 S239 K243 C245 F246E159-L241 HydrophobicContact CG-CD1 4.29Å; E159-L241 WeakPolarHBondContact OE2-CB 3.42Å; E159-L241 PolarHBondContact OE2-N 3.29Å; C192-L241 HydrophobicContact CB-CB 3.96Å; C192-L241 HydrophobicContact CB-CD1 3.68Å; C192-L241 HydrophobicContact CB-CG 4.45Å; H194-L241 HydrophobicContact CB-CD1 3.87Å; H194-L241 HydrophobicContact CB-CG 4.44Å; I228-L241 HydrophobicContact CG2-CB 4.24Å; I228-L241 HydrophobicContact CG2-CD1 3.91Å; I228-L241 HydrophobicContact CG2-CD2 3.93Å; I228-L241 HydrophobicContact CG2-CG 4.25Å; N238-L241 WeakPolarHBondContact O-CD2 3.4Å; S239-L241 PolarHBondContact O-N 3.35Å; L241-K243 VanDerWaalsContact C-N 3.27Å; L241-K243 PolarHBondContact O-N 2.89Å; L241-C245 HydrophobicContact CD2-CB 4.42Å; L241-C245 WeakPolarHBondContact O-CB 3.44Å; L241-F246 VanDerWaalsContact O-CB 3.24Å; L241-F246 WeakPolarHBondContact O-CB 3.49Å; L241-F246 PolarHBondContact O-N 2.78Å
242G98.4Very high97.8Very high0 Ų02 Ų20%01%0.011CC..Iπ-helixtrans-60.7-29.7170.200000114.6M146 L240 A247M146-G242 VanDerWaalsContact CE-O 3.22Å; M146-G242 WeakPolarHBondContact CE-O 3.5Å; L240-G242 PolarHBondContact O-N 2.66Å; L240-G242 VanDerWaalsContact O-N 3.16Å; G242-A247 VanDerWaalsContact O-CB 3.3Å; G242-A247 WeakPolarHBondContact O-CB 3.31Å; G242-A247 PolarHBondContact O-N 3.34Å; G242-A247 VanDerWaalsContact O-N 3.16Å
243K98Very high97.8Very high9 Ų93.6 Ų3.64%0.0392%0.017CC..Iπ-helixtrans-78.5-90.7-172.1-174.2172.1178.166.80112.9M173 L240 L241 A247 D311 I312 E329 F333M173-K243 HydrophobicContact CE-CD 4.38Å; L240-K243 PolarHBondContact O-N 3.19Å; L241-K243 VanDerWaalsContact C-N 3.27Å; L241-K243 PolarHBondContact O-N 2.89Å; K243-A247 WeakPolarHBondContact O-CA 3.39Å; K243-A247 VanDerWaalsContact O-CB 3.32Å; K243-A247 WeakPolarHBondContact O-CB 3.31Å; K243-A247 PolarHBondContact O-N 2.91Å; K243-D311 WeakPolarHBondContact CE-OD2 3.18Å; K243-D311 IonicContact NZ-OD2 3.65Å; K243-D311 PolarHBondContact NZ-OD2 3.01Å; K243-I312 HydrophobicContact CG-CD1 4.01Å; K243-I312 WeakPolarHBondContact O-CD1 3.26Å; K243-E329 WeakPolarHBondContact CD-OE1 3.4Å; K243-E329 WeakPolarHBondContact CG-OE1 3.45Å; K243-E329 IonicContact NZ-OE1 3.53Å; K243-E329 PolarHBondContact NZ-OE1 3.46Å; K243-E329 IonicContact NZ-OE2 3.88Å; K243-E329 PolarHBondContact NZ-OE2 2.84Å; K243-F333 HydrophobicContact CD-CB 4.34Å
244K97.8Very high97.8Very high8 Ų84 Ų44%0.0352%0.018CC..Iπ-helixtrans-78.9-38.2-172.1-61.7-54.9-168.7-179.10112.1L248 R249 H264 D311 F485K244-L248 HydrophobicContact CD-CD1 3.7Å; K244-R249 PolarHBondContact O-N 3.38Å; K244-H264 PolarHBondContact NZ-CD2 3.21Å; K244-H264 PolarHBondContact NZ-NE2 2.79Å; K244-D311 WeakPolarHBondContact CE-OD2 3.32Å; K244-D311 IonicContact NZ-OD1 3.09Å; K244-D311 PolarHBondContact NZ-OD1 2.76Å; K244-D311 IonicContact NZ-OD2 3.86Å; K244-D311 PolarHBondContact NZ-OD2 3.13Å; K244-F485 HydrophobicContact CB-CD1 4.33Å; K244-F485 HydrophobicContact CB-CE1 4Å; K244-F485 HydrophobicContact CD-CD1 4.22Å; K244-F485 HydrophobicContact CD-CE1 3.53Å; K244-F485 HydrophobicContact CD-CZ 3.81Å; K244-F485 HydrophobicContact CG-CE1 3.82Å; K244-F485 HydrophobicContact CG-CZ 4.43Å
245C98.8Very high97.8Very high0 Ų04 Ų40%02%0.018CC..Iπ-helixtrans-69.7-52.3-176.5-55.40000111H221 I228 L241 R249 I250H221-C245 WeakPolarHBondContact NE2-CA 3.4Å; H221-C245 VanDerWaalsContact NE2-CB 3.32Å; H221-C245 WeakPolarHBondContact NE2-CB 3.31Å; H221-C245 PolarHBondContact NE2-SG 3.12Å; H221-C245 VanDerWaalsContact NE2-SG 3.45Å; I228-C245 HydrophobicContact CD1-CB 3.83Å; I228-C245 HydrophobicContact CG1-CB 4.33Å; I228-C245 HydrophobicContact CG2-CB 3.63Å; L241-C245 HydrophobicContact CD2-CB 4.42Å; L241-C245 WeakPolarHBondContact O-CB 3.44Å; C245-R249 WeakPolarHBondContact O-CB 3.42Å; C245-R249 PolarHBondContact O-N 2.7Å; C245-I250 PolarHBondContact O-N 3.16Å
246F98.8Very high97.9Very high0 Ų07.2 Ų7.20%03%0.032CC..Iπ-helixtrans-78.4-67.6176.3-173.83.5000111.1F144 M146 K155 V190 I228 L241 L248 I250 A251F144-F246 AromaticContact CE2-CD2 3.75Å; F144-F246 HydrophobicContact CE2-CD2 3.75Å; F144-F246 HydrophobicContact CE2-CE2 4.09Å; F144-F246 AromaticContact CZ-CD2 3.93Å; F144-F246 HydrophobicContact CZ-CD2 3.93Å; F144-F246 HydrophobicContact CZ-CE2 4.4Å; M146-F246 HydrophobicContact CG-CD2 3.82Å; M146-F246 HydrophobicContact CG-CE2 3.88Å; K155-F246 HydrophobicContact CB-CE1 4.19Å; K155-F246 HydrophobicContact CB-CE2 4.39Å; K155-F246 HydrophobicContact CB-CZ 3.51Å; K155-F246 HydrophobicContact CG-CZ 4.48Å; V190-F246 HydrophobicContact CB-CD1 4.44Å; V190-F246 HydrophobicContact CB-CD2 4.13Å; V190-F246 HydrophobicContact CB-CE1 4.2Å; V190-F246 HydrophobicContact CB-CE2 3.85Å; V190-F246 HydrophobicContact CB-CG 4.42Å; V190-F246 HydrophobicContact CB-CZ 3.87Å; V190-F246 HydrophobicContact CG1-CD1 4.45Å; V190-F246 HydrophobicContact CG1-CD2 4.39Å; V190-F246 HydrophobicContact CG1-CG 4.32Å; V190-F246 HydrophobicContact CG2-CD1 3.93Å; V190-F246 HydrophobicContact CG2-CD2 4.35Å; V190-F246 HydrophobicContact CG2-CE1 3.38Å; V190-F246 HydrophobicContact CG2-CE2 3.84Å; V190-F246 HydrophobicContact CG2-CG 4.4Å; V190-F246 HydrophobicContact CG2-CZ 3.3Å; I228-F246 HydrophobicContact CD1-CB 3.64Å; I228-F246 HydrophobicContact CD1-CG 4.45Å; L241-F246 VanDerWaalsContact O-CB 3.24Å; L241-F246 WeakPolarHBondContact O-CB 3.49Å; L241-F246 PolarHBondContact O-N 2.78Å; F246-L248 PolarHBondContact O-N 3.47Å; F246-I250 HydrophobicContact CD1-CB 4.14Å; F246-I250 HydrophobicContact CD1-CG2 4.09Å; F246-I250 HydrophobicContact CE1-CG2 4.36Å; F246-I250 PolarHBondContact O-N 3.18Å; F246-A251 WeakPolarHBondContact O-CB 3.38Å; F246-A251 PolarHBondContact O-N 3.27Å
247A98.7Very high98.1Very high0 Ų011.3 Ų11.30%05%0.052CC..Iπ-helixtrans-71.7-1.7-163.800000116.8M146 G242 K243 A251 I312 W314 P328M146-A247 HydrophobicContact CE-CB 3.86Å; G242-A247 VanDerWaalsContact O-CB 3.3Å; G242-A247 WeakPolarHBondContact O-CB 3.31Å; G242-A247 PolarHBondContact O-N 3.34Å; G242-A247 VanDerWaalsContact O-N 3.16Å; K243-A247 WeakPolarHBondContact O-CA 3.39Å; K243-A247 VanDerWaalsContact O-CB 3.32Å; K243-A247 WeakPolarHBondContact O-CB 3.31Å; K243-A247 PolarHBondContact O-N 2.91Å; A247-A251 WeakPolarHBondContact O-CB 3.31Å; A247-I312 HydrophobicContact CB-CD1 3.91Å; A247-I312 HydrophobicContact CB-CG2 4.13Å; A247-W314 HydrophobicContact CB-CZ2 3.65Å; A247-W314 PolarHBondContact O-NE1 3.12Å; A247-P328 HydrophobicContact CB-CG 4.19Å
248L98.8Very high98.5Very high0 Ų015.3 Ų15.30%07%0.069CC..Iπ-helixtrans-121.6-57.8166.5-65.3170.7000112.6K244 F246 S252 E263 H264 I312 M482 F485K244-L248 HydrophobicContact CD-CD1 3.7Å; F246-L248 PolarHBondContact O-N 3.47Å; L248-S252 WeakPolarHBondContact O-CA 3.27Å; L248-S252 WeakPolarHBondContact O-CB 3.22Å; L248-S252 PolarHBondContact O-N 3.33Å; L248-S252 PolarHBondContact O-OG 3.41Å; L248-E263 WeakPolarHBondContact CD2-O 3.46Å; L248-H264 HydrophobicContact CD1-CB 4.06Å; L248-H264 HydrophobicContact CD2-CB 4.23Å; L248-I312 HydrophobicContact CD1-CD1 4.39Å; L248-I312 HydrophobicContact CD1-CG1 4.31Å; L248-I312 HydrophobicContact CD2-CG1 4.47Å; L248-I312 HydrophobicContact CD2-CG2 3.99Å; L248-I312 HydrophobicContact CG-CD1 4.23Å; L248-I312 HydrophobicContact CG-CG1 4.3Å; L248-I312 HydrophobicContact CG-CG2 4.39Å; L248-M482 HydrophobicContact CB-CE 4.5Å; L248-M482 HydrophobicContact CD2-CE 4.2Å; L248-M482 HydrophobicContact CD2-SD 3.97Å; L248-F485 HydrophobicContact CB-CB 4.01Å; L248-F485 HydrophobicContact CB-CG 4.48Å; L248-F485 HydrophobicContact CD1-CB 4.13Å; L248-F485 HydrophobicContact CD1-CD1 4.06Å; L248-F485 HydrophobicContact CD1-CD2 3.98Å; L248-F485 HydrophobicContact CD1-CE1 4.44Å; L248-F485 HydrophobicContact CD1-CE2 4.38Å; L248-F485 HydrophobicContact CD1-CG 3.81Å
249R98.8Very high98.5Very high9 Ų916 Ų163%0.0348%0.076CC..Iπ-helixtrans-69.8-61.5-173-62.6-176-163.3101.12.5112.2T92 H221 K244 C245 A251 S252 R253 P484 F485 G487T92-R249 VanDerWaalsContact CG2-CZ 3.5Å; H221-R249 PolarHBondContact CE1-NH1 3.21Å; H221-R249 WeakPolarHBondContact NE2-CD 3.27Å; H221-R249 PolarHBondContact NE2-NH1 3.34Å; K244-R249 PolarHBondContact O-N 3.38Å; C245-R249 WeakPolarHBondContact O-CB 3.42Å; C245-R249 PolarHBondContact O-N 2.7Å; R249-A251 VanDerWaalsContact C-N 3.35Å; R249-A251 PolarHBondContact O-N 3.37Å; R249-S252 PolarHBondContact O-N 3.39Å; R249-S252 PolarHBondContact O-OG 2.7Å; R249-S252 VanDerWaalsContact O-OG 3.07Å; R249-R253 PolarHBondContact O-N 3.12Å; R249-P484 PolarHBondContact NE-O 3.09Å; R249-P484 VanDerWaalsContact NE-O 3.08Å; R249-P484 PolarHBondContact NH2-O 3.19Å; R249-F485 WeakPolarHBondContact CG-O 3.41Å; R249-G487 WeakPolarHBondContact O-CA 3.35Å
250I98.8Very high98.5Very high2 Ų216.2 Ų16.21%0.018%0.077CC..Iπ-helixtrans-62.5-45.5177.2-63.4-64.2000110.6V190 H221 P223 I228 C245 F246 S252 R253 I254V190-I250 HydrophobicContact CG2-CG2 4.15Å; H221-I250 HydrophobicContact CB-CD1 4.02Å; P223-I250 HydrophobicContact CB-CD1 4.19Å; I228-I250 HydrophobicContact CD1-CG1 3.8Å; I228-I250 HydrophobicContact CG1-CD1 4.28Å; I228-I250 HydrophobicContact CG1-CG1 3.65Å; C245-I250 PolarHBondContact O-N 3.16Å; F246-I250 HydrophobicContact CD1-CB 4.14Å; F246-I250 HydrophobicContact CD1-CG2 4.09Å; F246-I250 HydrophobicContact CE1-CG2 4.36Å; F246-I250 PolarHBondContact O-N 3.18Å; I250-S252 PolarHBondContact O-N 3.14Å; I250-R253 PolarHBondContact O-N 2.85Å; I250-I254 HydrophobicContact CG2-CD1 3.69Å; I250-I254 HydrophobicContact CG2-CG1 4.33Å; I250-I254 WeakPolarHBondContact O-CG1 3.28Å; I250-I254 PolarHBondContact O-N 3.38Å
251A98.8Very high98.5Very high0 Ų016.4 Ų16.40%08%0.078CC..Hα-helixtrans-60.4-41.9-178.500000112.7F246 A247 R249 R253 I254 A255 W260 A262 W314F246-A251 WeakPolarHBondContact O-CB 3.38Å; F246-A251 PolarHBondContact O-N 3.27Å; A247-A251 WeakPolarHBondContact O-CB 3.31Å; R249-A251 VanDerWaalsContact C-N 3.35Å; R249-A251 PolarHBondContact O-N 3.37Å; A251-R253 VanDerWaalsContact C-N 3.28Å; A251-R253 PolarHBondContact O-N 3.5Å; A251-I254 PolarHBondContact O-N 2.64Å; A251-A255 WeakPolarHBondContact O-CB 3.37Å; A251-A255 PolarHBondContact O-N 2.81Å; A251-W260 HydrophobicContact CB-CH2 3.92Å; A251-A262 HydrophobicContact CB-CB 3.69Å; A251-W314 HydrophobicContact CB-CZ2 3.84Å
252S98.8Very high98.5Very high2 Ų216.4 Ų16.41%0.0148%0.078CC..Hα-helixtrans-65.6-32.8179.462.30000112.2L248 R249 I250 A255 K256 G487 Y488L248-S252 WeakPolarHBondContact O-CA 3.27Å; L248-S252 WeakPolarHBondContact O-CB 3.22Å; L248-S252 PolarHBondContact O-N 3.33Å; L248-S252 PolarHBondContact O-OG 3.41Å; R249-S252 PolarHBondContact O-N 3.39Å; R249-S252 PolarHBondContact O-OG 2.7Å; R249-S252 VanDerWaalsContact O-OG 3.07Å; I250-S252 PolarHBondContact O-N 3.14Å; S252-A255 PolarHBondContact O-N 3.08Å; S252-K256 PolarHBondContact O-N 3.03Å; S252-G487 WeakPolarHBondContact OG-CA 3.44Å; S252-G487 PolarHBondContact OG-N 3.27Å; S252-Y488 WeakPolarHBondContact O-CE1 3.39Å
253R98.6Very high98.5Very high33 Ų3316.5 Ų16.513%0.1258%0.079CC..Hα-helixtrans-67.9-46.5172.9-179.256-177.3-135.2-4.1111.6P223 R249 I250 A251 A255 K256 E257 Y488P223-R253 HydrophobicContact CB-CB 4.26Å; P223-R253 HydrophobicContact CB-CG 3.88Å; R249-R253 PolarHBondContact O-N 3.12Å; I250-R253 PolarHBondContact O-N 2.85Å; A251-R253 VanDerWaalsContact C-N 3.28Å; A251-R253 PolarHBondContact O-N 3.5Å; R253-A255 VanDerWaalsContact C-N 3.26Å; R253-A255 PolarHBondContact O-N 3.43Å; R253-K256 WeakPolarHBondContact O-CB 3.21Å; R253-K256 PolarHBondContact O-N 3.25Å; R253-E257 IonicContact CZ-OE1 2.75Å; R253-E257 IonicContact NE-OE1 3.91Å; R253-E257 PolarHBondContact NE-OE1 3.19Å; R253-E257 IonicContact NH2-OE1 3.75Å; R253-E257 WeakPolarHBondContact O-CG 3.46Å; R253-E257 PolarHBondContact O-N 2.9Å; R253-Y488 HydrophobicContact CB-CD1 4.34Å
254I98.5Very high98.6Very high7 Ų716.1 Ų16.14%0.0368%0.077CC..Hα-helixtrans-58.4-42.1173.4-63.2170.7000110.4I250 A251 K256 E257 E258 W260I250-I254 HydrophobicContact CG2-CD1 3.69Å; I250-I254 HydrophobicContact CG2-CG1 4.33Å; I250-I254 WeakPolarHBondContact O-CG1 3.28Å; I250-I254 PolarHBondContact O-N 3.38Å; A251-I254 PolarHBondContact O-N 2.64Å; I254-K256 VanDerWaalsContact C-N 3.34Å; I254-K256 PolarHBondContact O-N 3.49Å; I254-E257 PolarHBondContact O-N 2.63Å; I254-E257 VanDerWaalsContact O-N 3.07Å; I254-E258 HydrophobicContact CG2-CG 4.05Å; I254-E258 VanDerWaalsContact CG2-OE1 3.27Å; I254-E258 WeakPolarHBondContact CG2-OE1 3.42Å; I254-E258 WeakPolarHBondContact O-CB 3.3Å; I254-E258 PolarHBondContact O-N 3.4Å; I254-W260 HydrophobicContact CB-CZ2 4.07Å; I254-W260 HydrophobicContact CG2-CZ2 3.73Å
255A98.8Very high98.6Very high1 Ų115.8 Ų15.81%0.0088%0.075CC..Hα-helixtrans-62.2-39.5-179.900000112.5A251 S252 R253 G259 W260 A262 H496A251-A255 WeakPolarHBondContact O-CB 3.37Å; A251-A255 PolarHBondContact O-N 2.81Å; S252-A255 PolarHBondContact O-N 3.08Å; R253-A255 VanDerWaalsContact C-N 3.26Å; R253-A255 PolarHBondContact O-N 3.43Å; A255-G259 CarbonylContact O-C 3.5Å; A255-G259 WeakPolarHBondContact O-CA 3.37Å; A255-G259 PolarHBondContact O-N 3.08Å; A255-W260 CarbonylContact C-O 3.58Å; A255-W260 VanDerWaalsContact CA-CE2 3.41Å; A255-W260 HydrophobicContact CB-CD2 3.44Å; A255-W260 VanDerWaalsContact CB-CD2 3.44Å; A255-W260 HydrophobicContact CB-CE3 3.54Å; A255-W260 HydrophobicContact CB-CG 4.01Å; A255-W260 HydrophobicContact CB-CH2 3.99Å; A255-W260 HydrophobicContact CB-CZ2 3.92Å; A255-W260 HydrophobicContact CB-CZ3 3.82Å; A255-W260 VanDerWaalsContact CB-O 3.32Å; A255-W260 WeakPolarHBondContact CB-O 3.43Å; A255-W260 PolarHBondContact O-N 3.14Å; A255-A262 HydrophobicContact CB-CB 4.27Å; A255-H496 PolarHBondContact O-NE2 2.98Å
256K98.5Very high98.6Very high73 Ų7315.8 Ų15.832%0.3178%0.075SC..Hα-helixtrans-60.8-45.1170.8172.2175.8168.9-66.60111.9S252 R253 I254 Y488S252-K256 PolarHBondContact O-N 3.03Å; R253-K256 WeakPolarHBondContact O-CB 3.21Å; R253-K256 PolarHBondContact O-N 3.25Å; I254-K256 VanDerWaalsContact C-N 3.34Å; I254-K256 PolarHBondContact O-N 3.49Å; K256-Y488 HydrophobicContact CB-CE1 3.98Å; K256-Y488 HydrophobicContact CB-CE2 4.31Å; K256-Y488 HydrophobicContact CD-CD2 3.64Å; K256-Y488 HydrophobicContact CD-CE1 4.35Å; K256-Y488 HydrophobicContact CD-CE2 3.32Å; K256-Y488 HydrophobicContact CD-CG 4.26Å; K256-Y488 HydrophobicContact CG-CE2 4.31Å
257E97.7Very high98.6Very high86 Ų8615.8 Ų15.840%0.4028%0.075SC..Hα-helixtrans-69.4-40.8-176.2-70.3164.7-171.900112.2R226 R253 I254R226-E257 IonicContact CZ-OE2 3.64Å; R226-E257 IonicContact NH1-OE2 2.69Å; R226-E257 IonicContact NH2-OE2 2.87Å; R226-E257 PolarHBondContact NH2-OE2 3.34Å; R253-E257 IonicContact CZ-OE1 2.75Å; R253-E257 IonicContact NE-OE1 3.91Å; R253-E257 PolarHBondContact NE-OE1 3.19Å; R253-E257 IonicContact NH2-OE1 3.75Å; R253-E257 WeakPolarHBondContact O-CG 3.46Å; R253-E257 PolarHBondContact O-N 2.9Å; I254-E257 PolarHBondContact O-N 2.63Å; I254-E257 VanDerWaalsContact O-N 3.07Å
258E97.6Very high98.6Very high90 Ų9015.8 Ų15.842%0.4218%0.076SC..Hα-helixtrans-97.8-2-174.1-65.5178.5-178.200113.6K155 I254 W260K155-E258 VanDerWaalsContact NZ-CD 3.3Å; K155-E258 IonicContact NZ-OE1 2.8Å; K155-E258 PolarHBondContact NZ-OE1 2.63Å; K155-E258 IonicContact NZ-OE2 3.21Å; K155-E258 PolarHBondContact NZ-OE2 3.31Å; I254-E258 HydrophobicContact CG2-CG 4.05Å; I254-E258 VanDerWaalsContact CG2-OE1 3.27Å; I254-E258 WeakPolarHBondContact CG2-OE1 3.42Å; I254-E258 WeakPolarHBondContact O-CB 3.3Å; I254-E258 PolarHBondContact O-N 3.4Å; E258-W260 VanDerWaalsContact CB-CD1 3.49Å; E258-W260 PolarHBondContact OE2-NE1 3.29Å
259G97.9Very high98.6Very high15 Ų1515.8 Ų15.816%0.1558%0.076CC..THydrogen-bonded Turntrans75.146.9176.900000114.8A255 R503A255-G259 CarbonylContact O-C 3.5Å; A255-G259 WeakPolarHBondContact O-CA 3.37Å; A255-G259 PolarHBondContact O-N 3.08Å; G259-R503 PolarHBondContact O-NH1 2.86Å; G259-R503 PolarHBondContact O-NH2 3.15Å
260W98.7Very high98.6Very high6 Ų615.4 Ų15.42%0.0237%0.074CC..  trans-135.5-170.216956.8-86.5000110.3A251 I254 A255 E258 A262 W314 M315 K316 H496A251-W260 HydrophobicContact CB-CH2 3.92Å; I254-W260 HydrophobicContact CB-CZ2 4.07Å; I254-W260 HydrophobicContact CG2-CZ2 3.73Å; A255-W260 CarbonylContact C-O 3.58Å; A255-W260 VanDerWaalsContact CA-CE2 3.41Å; A255-W260 HydrophobicContact CB-CD2 3.44Å; A255-W260 VanDerWaalsContact CB-CD2 3.44Å; A255-W260 HydrophobicContact CB-CE3 3.54Å; A255-W260 HydrophobicContact CB-CG 4.01Å; A255-W260 HydrophobicContact CB-CH2 3.99Å; A255-W260 HydrophobicContact CB-CZ2 3.92Å; A255-W260 HydrophobicContact CB-CZ3 3.82Å; A255-W260 VanDerWaalsContact CB-O 3.32Å; A255-W260 WeakPolarHBondContact CB-O 3.43Å; A255-W260 PolarHBondContact O-N 3.14Å; E258-W260 VanDerWaalsContact CB-CD1 3.49Å; E258-W260 PolarHBondContact OE2-NE1 3.29Å; W260-A262 HydrophobicContact CE3-CB 4.42Å; W260-A262 HydrophobicContact CH2-CB 4.11Å; W260-A262 HydrophobicContact CZ3-CB 3.6Å; W260-W314 HydrophobicContact CE3-CB 4.29Å; W260-W314 HydrophobicContact CE3-CG 4.44Å; W260-W314 HydrophobicContact CH2-CD2 4.04Å; W260-W314 HydrophobicContact CH2-CE3 4.44Å; W260-W314 HydrophobicContact CH2-CG 4.23Å; W260-W314 HydrophobicContact CZ3-CB 3.87Å; W260-W314 AromaticContact CZ3-CD1 3.78Å; W260-W314 AromaticContact CZ3-CD2 3.87Å; W260-W314 HydrophobicContact CZ3-CD2 3.87Å; W260-W314 HydrophobicContact CZ3-CE3 4.49Å; W260-W314 AromaticContact CZ3-CG 3.57Å; W260-W314 HydrophobicContact CZ3-CG 3.57Å; W260-M315 CarbonylContact C-O 3.47Å; W260-M315 WeakPolarHBondContact CB-O 3.41Å; W260-K316 HydrophobicContact CB-CB 3.81Å; W260-K316 HydrophobicContact CB-CD 4.13Å; W260-K316 HydrophobicContact CB-CG 3.9Å; W260-H496 PolarHBondContact O-NE2 3.15Å
261L98.9Very high98.6Very high3 Ų316.5 Ų16.52%0.0168%0.081CC..EExtended strand (participates in β ladder)trans-130133.2-177-64.4172.8000111E263 W314 M315 W497 M500L261-E263 HydrophobicContact CB-CG 4.02Å; L261-W314 CarbonylContact O-C 3.52Å; L261-W314 WeakPolarHBondContact O-CA 3.28Å; L261-M315 HydrophobicContact CB-CB 4.29Å; L261-M315 HydrophobicContact CB-CE 4.02Å; L261-M315 HydrophobicContact CD1-CE 4Å; L261-M315 PolarHBondContact N-O 2.97Å; L261-M315 PolarHBondContact O-N 3.07Å; L261-W497 HydrophobicContact CD1-CH2 4.24Å; L261-W497 HydrophobicContact CD1-CZ2 4.12Å; L261-W497 HydrophobicContact CD2-CD2 4.38Å; L261-W497 HydrophobicContact CD2-CG 4.46Å; L261-W497 HydrophobicContact CD2-CZ2 4.45Å; L261-M500 HydrophobicContact CD2-CE 3.86Å; L261-M500 HydrophobicContact CG-CE 4.15Å
262A98.9Very high98.6Very high1 Ų116.8 Ų16.81%0.0088%0.083CC..EExtended strand (participates in β ladder)trans-119.4110.8172.700000108.9A251 A255 W260A251-A262 HydrophobicContact CB-CB 3.69Å; A255-A262 HydrophobicContact CB-CB 4.27Å; W260-A262 HydrophobicContact CE3-CB 4.42Å; W260-A262 HydrophobicContact CH2-CB 4.11Å; W260-A262 HydrophobicContact CZ3-CB 3.6Å
263E98.9Very high98.6Very high2 Ų220.6 Ų20.61%0.00911%0.107CC..EExtended strand (participates in β ladder)trans-132.2146.8-161.8-57.1-58.2164.600112.9L248 L261 M265 I312 A313 M315 Y493 W497L248-E263 WeakPolarHBondContact CD2-O 3.46Å; L261-E263 HydrophobicContact CB-CG 4.02Å; E263-M265 HydrophobicContact CB-CB 4.36Å; E263-M265 HydrophobicContact CB-CE 4.08Å; E263-M265 HydrophobicContact CB-CG 3.79Å; E263-M265 HydrophobicContact CB-SD 3.9Å; E263-M265 HydrophobicContact CG-CE 4.28Å; E263-M265 HydrophobicContact CG-SD 4.41Å; E263-M265 PolarHBondContact O-N 3.01Å; E263-I312 WeakPolarHBondContact O-CA 3.23Å; E263-A313 PolarHBondContact N-O 2.69Å; E263-A313 PolarHBondContact O-N 3.22Å; E263-M315 HydrophobicContact CB-CE 4.08Å; E263-M315 HydrophobicContact CG-CE 3.53Å; E263-Y493 WeakPolarHBondContact OE1-CE2 3.2Å; E263-Y493 PolarHBondContact OE1-OH 2.85Å; E263-Y493 VanDerWaalsContact OE1-OH 3.12Å; E263-Y493 PolarHBondContact OE2-OH 2.99Å; E263-W497 VanDerWaalsContact CD-CZ2 3.5Å; E263-W497 HydrophobicContact CG-CZ2 3.82Å; E263-W497 WeakPolarHBondContact OE1-CZ2 3.48Å; E263-W497 PolarHBondContact OE1-NE1 3.42Å
264H98.8Very high98.6Very high1 Ų125.6 Ų25.61%0.00513%0.132CC..SBendtrans-7960.7175.7-176.9-145.4000111K244 L248 K290 D311 A481 M482 F485K244-H264 PolarHBondContact NZ-CD2 3.21Å; K244-H264 PolarHBondContact NZ-NE2 2.79Å; L248-H264 HydrophobicContact CD1-CB 4.06Å; L248-H264 HydrophobicContact CD2-CB 4.23Å; H264-K290 PolarHBondContact CE1-NZ 3.14Å; H264-K290 PolarHBondContact NE2-NZ 3.16Å; H264-D311 CarbonylContact C-O 3.6Å; H264-D311 VanDerWaalsContact C-O 3.26Å; H264-D311 WeakPolarHBondContact CA-O 3.39Å; H264-D311 PolarHBondContact CD2-O 2.82Å; H264-D311 VanDerWaalsContact CD2-O 3.22Å; H264-D311 IonicContact CD2-OD1 3.26Å; H264-D311 PolarHBondContact CD2-OD1 2.77Å; H264-D311 VanDerWaalsContact CD2-OD1 3.26Å; H264-D311 IonicContact NE2-OD1 3.66Å; H264-D311 PolarHBondContact NE2-OD1 3.48Å; H264-A481 PolarHBondContact ND1-O 2.8Å; H264-M482 HydrophobicContact CB-CG 4.34Å; H264-M482 HydrophobicContact CB-SD 3.53Å; H264-M482 VanDerWaalsContact CB-SD 3.53Å; H264-M482 PolarHBondContact N-SD 3.27Å; H264-F485 HydrophobicContact CB-CD2 4.24Å; H264-F485 AromaticContact CE1-CE2 3.47Å; H264-F485 VanDerWaalsContact CE1-CE2 3.47Å; H264-F485 WeakPolarHBondContact CE1-CE2 3.45Å; H264-F485 AromaticContact CG-CE2 3.86Å; H264-F485 AromaticContact ND1-CD2 3.89Å; H264-F485 AromaticContact ND1-CE2 3.47Å; H264-F485 WeakPolarHBondContact ND1-CE2 3.08Å; H264-F485 AromaticContact NE2-CE2 3.86Å
265M98.9Very high98.6Very high0 Ų027.8 Ų27.80%016%0.156CC..  trans-120.7140.3-174.2-66.7-177.4-177.500111.5E263 A281 A282 A283 D311 I312 A313 M315 I431 F433 W497E263-M265 HydrophobicContact CB-CB 4.36Å; E263-M265 HydrophobicContact CB-CE 4.08Å; E263-M265 HydrophobicContact CB-CG 3.79Å; E263-M265 HydrophobicContact CB-SD 3.9Å; E263-M265 HydrophobicContact CG-CE 4.28Å; E263-M265 HydrophobicContact CG-SD 4.41Å; E263-M265 PolarHBondContact O-N 3.01Å; M265-A281 HydrophobicContact CB-CB 4.31Å; M265-A281 HydrophobicContact SD-CB 3.88Å; M265-A282 VanDerWaalsContact CA-O 3.22Å; M265-A282 WeakPolarHBondContact CA-O 3.46Å; M265-A283 HydrophobicContact CE-CB 3.77Å; M265-A283 HydrophobicContact CG-CB 3.64Å; M265-A283 HydrophobicContact SD-CB 4.48Å; M265-D311 PolarHBondContact N-O 3.3Å; M265-D311 CarbonylContact O-C 3.51Å; M265-I312 CarbonylContact O-C 3.59Å; M265-I312 WeakPolarHBondContact O-CA 3.43Å; M265-I312 PolarHBondContact O-N 3.17Å; M265-I312 VanDerWaalsContact O-N 3.13Å; M265-A313 HydrophobicContact CB-CB 3.88Å; M265-A313 PolarHBondContact O-N 2.58Å; M265-M315 HydrophobicContact SD-CE 3.89Å; M265-M315 HydrophobicContact SD-SD 4.47Å; M265-I431 HydrophobicContact CE-CG2 3.84Å; M265-I431 HydrophobicContact SD-CG2 4.27Å; M265-F433 HydrophobicContact CE-CE1 3.84Å; M265-F433 HydrophobicContact CE-CZ 4.23Å; M265-W497 HydrophobicContact CE-CH2 3.75Å; M265-W497 HydrophobicContact CE-CZ2 4.01Å
266L98.8Very high98.6Very high0 Ų031 Ų310%017%0.173CC..EExtended strand (participates in β ladder)trans-70.5163.1157.869.189.1000110.2L268 A281 A282 K290 L293 A294 G309L266-L268 HydrophobicContact CD1-CB 4.17Å; L266-L268 HydrophobicContact CD1-CD2 3.74Å; L266-L268 HydrophobicContact CD1-CG 3.92Å; L266-A281 WeakPolarHBondContact O-CA 3.36Å; L266-A282 HydrophobicContact CD1-CB 4.04Å; L266-A282 HydrophobicContact CD2-CB 3.84Å; L266-A282 HydrophobicContact CG-CB 3.75Å; L266-A282 PolarHBondContact N-O 3.38Å; L266-A282 PolarHBondContact O-N 3.28Å; L266-A282 VanDerWaalsContact O-N 3.1Å; L266-K290 HydrophobicContact CB-CB 4.41Å; L266-K290 HydrophobicContact CD2-CB 3.88Å; L266-K290 HydrophobicContact CD2-CG 4.22Å; L266-K290 VanDerWaalsContact CD2-O 3.27Å; L266-K290 WeakPolarHBondContact CD2-O 3.32Å; L266-L293 HydrophobicContact CD2-CB 3.95Å; L266-L293 HydrophobicContact CD2-CD2 4.19Å; L266-L293 HydrophobicContact CD2-CG 4.32Å; L266-A294 HydrophobicContact CB-CB 3.93Å; L266-A294 HydrophobicContact CD1-CB 4.33Å; L266-A294 HydrophobicContact CD2-CB 4.23Å; L266-A294 HydrophobicContact CG-CB 4.4Å; L266-G309 CarbonylContact C-O 3.57Å; L266-G309 WeakPolarHBondContact CA-O 3.27Å; L266-G309 WeakPolarHBondContact CB-O 3.5Å
267I98.9Very high98.6Very high0 Ų030.6 Ų30.60%017%0.171CC..EExtended strand (participates in β ladder)trans-130.5126.4167.1-53.2163.3000108F280 V308 G309 A313 A325 I326 V426 I428I267-F280 WeakPolarHBondContact CA-O 3.41Å; I267-V308 HydrophobicContact CB-CB 3.79Å; I267-V308 HydrophobicContact CB-CG1 3.88Å; I267-V308 HydrophobicContact CD1-CG1 4.05Å; I267-V308 HydrophobicContact CG2-CB 3.67Å; I267-V308 HydrophobicContact CG2-CG1 3.81Å; I267-V308 HydrophobicContact CG2-CG2 4.07Å; I267-V308 WeakPolarHBondContact O-CB 3.38Å; I267-V308 PolarHBondContact O-N 3.36Å; I267-G309 PolarHBondContact N-O 3.17Å; I267-G309 PolarHBondContact O-N 2.82Å; I267-G309 VanDerWaalsContact O-N 3.13Å; I267-G309 VanDerWaalsContact O-O 3.08Å; I267-A313 HydrophobicContact CD1-CB 3.7Å; I267-A313 HydrophobicContact CG1-CB 3.74Å; I267-A325 HydrophobicContact CD1-CB 3.72Å; I267-A325 HydrophobicContact CG1-CB 4.35Å; I267-I326 WeakPolarHBondContact CD1-O 3.27Å; I267-V426 HydrophobicContact CG2-CG2 3.69Å; I267-I428 HydrophobicContact CG2-CD1 3.96Å
268L98.9Very high98.6Very high1 Ų127.7 Ų27.71%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-130.2148.7174.466.581.6000111.5L266 I270 Y279 F280 L293 I305 E306 L537L266-L268 HydrophobicContact CD1-CB 4.17Å; L266-L268 HydrophobicContact CD1-CD2 3.74Å; L266-L268 HydrophobicContact CD1-CG 3.92Å; L268-I270 HydrophobicContact CD1-CB 4.07Å; L268-I270 HydrophobicContact CD1-CG2 4.3Å; L268-Y279 CarbonylContact O-C 3.38Å; L268-Y279 VanDerWaalsContact O-CA 3.26Å; L268-Y279 WeakPolarHBondContact O-CA 3.44Å; L268-F280 HydrophobicContact CD1-CB 4.13Å; L268-F280 HydrophobicContact CD1-CD2 4.45Å; L268-F280 HydrophobicContact CD1-CG 4.48Å; L268-F280 HydrophobicContact CG-CB 4.41Å; L268-F280 PolarHBondContact N-O 2.7Å; L268-F280 PolarHBondContact O-N 2.84Å; L268-L293 HydrophobicContact CD2-CG 3.91Å; L268-L293 WeakPolarHBondContact CD2-O 3.33Å; L268-I305 HydrophobicContact CB-CG2 4.41Å; L268-I305 HydrophobicContact CD1-CD1 4.27Å; L268-E306 CarbonylContact C-O 3.52Å; L268-E306 VanDerWaalsContact CA-O 3.31Å; L268-E306 WeakPolarHBondContact CA-O 3.47Å; L268-L537 HydrophobicContact CD1-CD1 4.4Å; L268-L537 HydrophobicContact CD2-CD1 4.34Å
269G98.9Very high98.7Very high0 Ų024.7 Ų24.70%014%0.143CC..EExtended strand (participates in β ladder)trans-95.1133.5163.900000109.7K278 I305 E306G269-K278 CarbonylContact C-O 3.55Å; G269-K278 WeakPolarHBondContact CA-O 3.35Å; G269-I305 CarbonylContact O-C 3.48Å; G269-I305 WeakPolarHBondContact O-CA 3.45Å; G269-E306 PolarHBondContact N-O 2.88Å; G269-E306 PolarHBondContact O-N 3.36Å
270I98.8Very high98.8Very high1 Ų124 Ų241%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-120.5127.1173.7179.9168.2000109.1L268 K277 K278 F280 W303 K304 I305 L537 F541L268-I270 HydrophobicContact CD1-CB 4.07Å; L268-I270 HydrophobicContact CD1-CG2 4.3Å; I270-K277 CarbonylContact O-C 3.54Å; I270-K277 VanDerWaalsContact O-CA 3.31Å; I270-K277 WeakPolarHBondContact O-CA 3.47Å; I270-K278 HydrophobicContact CG2-CB 4.28Å; I270-K278 WeakPolarHBondContact CG2-O 3.17Å; I270-K278 PolarHBondContact N-O 2.65Å; I270-K278 PolarHBondContact O-N 3.31Å; I270-F280 HydrophobicContact CG2-CD1 4.38Å; I270-F280 HydrophobicContact CG2-CD2 4.21Å; I270-F280 HydrophobicContact CG2-CE1 4.05Å; I270-F280 HydrophobicContact CG2-CE2 3.92Å; I270-F280 HydrophobicContact CG2-CG 4.44Å; I270-F280 HydrophobicContact CG2-CZ 3.82Å; I270-W303 HydrophobicContact CD1-CE3 3.51Å; I270-W303 HydrophobicContact CD1-CZ3 3.52Å; I270-W303 HydrophobicContact CG1-CE3 3.57Å; I270-W303 HydrophobicContact CG1-CZ3 3.69Å; I270-K304 WeakPolarHBondContact CA-O 3.4Å; I270-I305 HydrophobicContact CB-CD1 3.76Å; I270-I305 HydrophobicContact CD1-CD1 3.82Å; I270-I305 HydrophobicContact CG1-CD1 3.68Å; I270-L537 HydrophobicContact CD1-CB 3.49Å; I270-L537 VanDerWaalsContact CD1-CB 3.49Å; I270-L537 HydrophobicContact CD1-CD1 4.05Å; I270-L537 HydrophobicContact CD1-CG 4.45Å; I270-F541 HydrophobicContact CG1-CD2 4.45Å; I270-F541 HydrophobicContact CG2-CD2 3.84Å; I270-F541 HydrophobicContact CG2-CE2 4.26Å
271T98.9Very high98.8Very high24 Ų2423.7 Ų23.715%0.14713%0.134CC..EExtended strand (participates in β ladder)trans-113.2128.7176.6-47.60000109.3D276 K277 W303 K304T271-D276 VanDerWaalsContact CA-O 3.3Å; T271-D276 WeakPolarHBondContact CA-O 3.27Å; T271-K277 HydrophobicContact CG2-CB 4.44Å; T271-W303 WeakPolarHBondContact O-CA 3.47Å; T271-K304 PolarHBondContact N-O 3.16Å; T271-K304 PolarHBondContact O-N 2.98Å
272N98.6Very high98.8Very high7 Ų723.6 Ų23.64%0.03713%0.133CC..  trans-83.5172.5178.479.6-7.3000111.6E274 G275 D276 W303 F541N272-E274 PolarHBondContact O-N 2.7Å; N272-E274 VanDerWaalsContact O-N 3.16Å; N272-E274 WeakPolarHBondContact OD1-CA 3.03Å; N272-E274 WeakPolarHBondContact OD1-CB 3.49Å; N272-E274 PolarHBondContact OD1-N 3.41Å; N272-G275 PolarHBondContact O-N 2.84Å; N272-G275 PolarHBondContact OD1-N 2.88Å; N272-D276 PolarHBondContact N-O 3.31Å; N272-D276 WeakPolarHBondContact OD1-CB 3.4Å; N272-D276 PolarHBondContact OD1-N 2.83Å; N272-D276 PolarHBondContact OD1-O 2.94Å; N272-W303 HydrophobicContact CB-CD2 4.5Å; N272-W303 HydrophobicContact CB-CE3 4.11Å; N272-W303 HydrophobicContact CB-CH2 3.54Å; N272-W303 HydrophobicContact CB-CZ2 3.94Å; N272-W303 HydrophobicContact CB-CZ3 3.64Å; N272-F541 HydrophobicContact CB-CD1 4.44Å; N272-F541 HydrophobicContact CB-CE1 3.92Å; N272-F541 HydrophobicContact CB-CE2 4.35Å; N272-F541 HydrophobicContact CB-CZ 3.88Å; N272-F541 WeakPolarHBondContact ND2-CE1 3.33Å
273P98.5Very high98.8Very high82 Ų8223.5 Ų23.553%0.53213%0.133SC..THydrogen-bonded Turntrans-62.6-17.4177.2-25.335.5000115.4G275P273-G275 VanDerWaalsContact C-N 3.32Å
274E98.1Very high98.7Very high138 Ų13823.5 Ų23.565%0.64513%0.133SC*.THydrogen-bonded Turntrans-84.3-8.2177-60.6173.2171.400112.1N272 K547N272-E274 PolarHBondContact O-N 2.7Å; N272-E274 VanDerWaalsContact O-N 3.16Å; N272-E274 WeakPolarHBondContact OD1-CA 3.03Å; N272-E274 WeakPolarHBondContact OD1-CB 3.49Å; N272-E274 PolarHBondContact OD1-N 3.41Å; E274-K547 IonicContact OE2-NZ 2.7Å; E274-K547 PolarHBondContact OE2-NZ 3.38Å
275G98.3Very high98.5Very high53 Ų5323.7 Ų23.755%0.54613%0.134SC..SBendtrans90.22.5-177.600000114.6N272 P273N272-G275 PolarHBondContact O-N 2.84Å; N272-G275 PolarHBondContact OD1-N 2.88Å; P273-G275 VanDerWaalsContact C-N 3.32Å
276D98.6Very high97.9Very high67 Ų6724.5 Ų24.536%0.35814%0.14SC..  trans-74.7129.8175-69.9-24000110.2T271 N272 F541 Q545T271-D276 VanDerWaalsContact CA-O 3.3Å; T271-D276 WeakPolarHBondContact CA-O 3.27Å; N272-D276 PolarHBondContact N-O 3.31Å; N272-D276 WeakPolarHBondContact OD1-CB 3.4Å; N272-D276 PolarHBondContact OD1-N 2.83Å; N272-D276 PolarHBondContact OD1-O 2.94Å; D276-F541 HydrophobicContact CB-CE1 4.27Å; D276-F541 HydrophobicContact CB-CZ 3.75Å; D276-F541 VanDerWaalsContact O-CZ 3.32Å; D276-F541 WeakPolarHBondContact O-CZ 3.35Å; D276-Q545 PolarHBondContact OD2-NE2 3.4Å
277K98.8Very high97.3Very high65 Ų6526.3 Ų26.328%0.28316%0.155SC..EExtended strand (participates in β ladder)trans-111.8139.6178.7-172.8170.2-178.9173.40111.9I270 T271 Y279 E306 D417I270-K277 CarbonylContact O-C 3.54Å; I270-K277 VanDerWaalsContact O-CA 3.31Å; I270-K277 WeakPolarHBondContact O-CA 3.47Å; T271-K277 HydrophobicContact CG2-CB 4.44Å; K277-Y279 HydrophobicContact CD-CE2 4.49Å; K277-Y279 VanDerWaalsContact CE-OH 3.29Å; K277-Y279 WeakPolarHBondContact CE-OH 3.45Å; K277-Y279 HydrophobicContact CG-CE2 4.48Å; K277-Y279 PolarHBondContact NZ-OH 3.15Å; K277-E306 WeakPolarHBondContact CE-OE2 3.43Å; K277-E306 IonicContact NZ-OE2 3.8Å; K277-E306 PolarHBondContact NZ-OE2 2.91Å; K277-D417 VanDerWaalsContact CE-OD2 3.24Å; K277-D417 WeakPolarHBondContact CE-OD2 3.29Å; K277-D417 IonicContact NZ-OD1 3.09Å; K277-D417 IonicContact NZ-OD2 3.66Å; K277-D417 PolarHBondContact NZ-OD2 3.04Å
278K98.9Very high96.9Very high26 Ų2626.3 Ų26.311%0.11316%0.155CC..EExtended strand (participates in β ladder)trans-134.9153.4174.7-60.9-167.1170.5-63.50110.7G269 I270 F280 E429 F541 I544G269-K278 CarbonylContact C-O 3.55Å; G269-K278 WeakPolarHBondContact CA-O 3.35Å; I270-K278 HydrophobicContact CG2-CB 4.28Å; I270-K278 WeakPolarHBondContact CG2-O 3.17Å; I270-K278 PolarHBondContact N-O 2.65Å; I270-K278 PolarHBondContact O-N 3.31Å; K278-F280 HydrophobicContact CB-CD1 4.47Å; K278-F280 HydrophobicContact CB-CE1 3.83Å; K278-E429 VanDerWaalsContact CG-OE1 3.23Å; K278-E429 WeakPolarHBondContact CG-OE1 3.36Å; K278-E429 VanDerWaalsContact NZ-CD 3.26Å; K278-E429 IonicContact NZ-OE1 2.67Å; K278-E429 PolarHBondContact NZ-OE1 3.26Å; K278-E429 VanDerWaalsContact NZ-OE1 3.09Å; K278-E429 IonicContact NZ-OE2 3.22Å; K278-E429 PolarHBondContact NZ-OE2 2.73Å; K278-F541 HydrophobicContact CB-CD2 4.05Å; K278-F541 HydrophobicContact CB-CE2 3.75Å; K278-F541 HydrophobicContact CD-CD1 4.39Å; K278-F541 HydrophobicContact CD-CD2 3.81Å; K278-F541 HydrophobicContact CD-CE1 4.25Å; K278-F541 HydrophobicContact CD-CE2 3.69Å; K278-F541 HydrophobicContact CD-CG 4.17Å; K278-F541 HydrophobicContact CD-CZ 3.89Å; K278-F541 HydrophobicContact CG-CD2 3.91Å; K278-F541 HydrophobicContact CG-CE2 3.37Å; K278-F541 HydrophobicContact CG-CZ 3.73Å; K278-I544 HydrophobicContact CD-CB 4.32Å; K278-I544 HydrophobicContact CD-CD1 4.17Å; K278-I544 HydrophobicContact CD-CG2 3.99Å
279Y98.9Very high96.6Very high27 Ų2727 Ų2711%0.10616%0.162CC..EExtended strand (participates in β ladder)trans-112.8129.9176.3-65.7-92000112L268 K277 V308 D417 V426 P427 I428 E429L268-Y279 CarbonylContact O-C 3.38Å; L268-Y279 VanDerWaalsContact O-CA 3.26Å; L268-Y279 WeakPolarHBondContact O-CA 3.44Å; K277-Y279 HydrophobicContact CD-CE2 4.49Å; K277-Y279 VanDerWaalsContact CE-OH 3.29Å; K277-Y279 WeakPolarHBondContact CE-OH 3.45Å; K277-Y279 HydrophobicContact CG-CE2 4.48Å; K277-Y279 PolarHBondContact NZ-OH 3.15Å; Y279-V308 HydrophobicContact CD1-CG2 4.17Å; Y279-V308 HydrophobicContact CE1-CG2 3.88Å; Y279-D417 WeakPolarHBondContact CE1-OD2 3.47Å; Y279-D417 PolarHBondContact OH-OD1 3.12Å; Y279-D417 PolarHBondContact OH-OD2 3.03Å; Y279-V426 HydrophobicContact CD1-CB 3.66Å; Y279-V426 HydrophobicContact CD1-CG1 3.97Å; Y279-V426 HydrophobicContact CD1-CG2 3.6Å; Y279-V426 HydrophobicContact CD2-CB 3.81Å; Y279-V426 HydrophobicContact CD2-CG1 4.44Å; Y279-V426 HydrophobicContact CD2-CG2 4.43Å; Y279-V426 HydrophobicContact CE1-CB 3.78Å; Y279-V426 HydrophobicContact CE1-CG1 3.56Å; Y279-V426 HydrophobicContact CE1-CG2 4.08Å; Y279-V426 HydrophobicContact CE2-CB 3.93Å; Y279-V426 HydrophobicContact CE2-CG1 4.08Å; Y279-V426 HydrophobicContact CG-CB 3.66Å; Y279-V426 HydrophobicContact CG-CG1 4.38Å; Y279-V426 HydrophobicContact CG-CG2 3.78Å; Y279-P427 WeakPolarHBondContact CB-O 3.34Å; Y279-P427 HydrophobicContact CD2-CG 4.38Å; Y279-I428 WeakPolarHBondContact O-CA 3.27Å; Y279-E429 PolarHBondContact O-N 3.09Å
280F98.9Very high96.5Very high0 Ų027.6 Ų27.60%017%0.165CC..EExtended strand (participates in β ladder)trans-115.9141.6179.7-61.5-5.3000109.8I267 L268 I270 K278 A430 I432 L537 M540 F541 I544I267-F280 WeakPolarHBondContact CA-O 3.41Å; L268-F280 HydrophobicContact CD1-CB 4.13Å; L268-F280 HydrophobicContact CD1-CD2 4.45Å; L268-F280 HydrophobicContact CD1-CG 4.48Å; L268-F280 HydrophobicContact CG-CB 4.41Å; L268-F280 PolarHBondContact N-O 2.7Å; L268-F280 PolarHBondContact O-N 2.84Å; I270-F280 HydrophobicContact CG2-CD1 4.38Å; I270-F280 HydrophobicContact CG2-CD2 4.21Å; I270-F280 HydrophobicContact CG2-CE1 4.05Å; I270-F280 HydrophobicContact CG2-CE2 3.92Å; I270-F280 HydrophobicContact CG2-CG 4.44Å; I270-F280 HydrophobicContact CG2-CZ 3.82Å; K278-F280 HydrophobicContact CB-CD1 4.47Å; K278-F280 HydrophobicContact CB-CE1 3.83Å; F280-A430 WeakPolarHBondContact CA-O 3.41Å; F280-A430 HydrophobicContact CB-CB 4.49Å; F280-A430 HydrophobicContact CD1-CB 3.61Å; F280-A430 HydrophobicContact CD2-CB 4.48Å; F280-A430 HydrophobicContact CE1-CB 3.94Å; F280-A430 HydrophobicContact CG-CB 3.96Å; F280-A430 HydrophobicContact CZ-CB 4.47Å; F280-I432 HydrophobicContact CB-CD1 4.35Å; F280-I432 HydrophobicContact CD2-CD1 4.06Å; F280-L537 HydrophobicContact CD2-CD2 4.16Å; F280-L537 HydrophobicContact CE2-CB 4.38Å; F280-L537 HydrophobicContact CE2-CD2 4.33Å; F280-M540 HydrophobicContact CE2-CB 4.01Å; F280-M540 HydrophobicContact CZ-CB 4.31Å; F280-F541 HydrophobicContact CZ-CB 4.21Å; F280-F541 HydrophobicContact CZ-CD2 4.36Å; F280-I544 HydrophobicContact CD1-CD1 4.25Å; F280-I544 HydrophobicContact CE1-CD1 3.28Å; F280-I544 HydrophobicContact CZ-CD1 3.61Å
281A98.9Very high96.4Very high0 Ų028.8 Ų28.80%017%0.172CC..EExtended strand (participates in β ladder)trans-105.6145.9166.600000110M265 L266 M315 I428 A430 I431 I432M265-A281 HydrophobicContact CB-CB 4.31Å; M265-A281 HydrophobicContact SD-CB 3.88Å; L266-A281 WeakPolarHBondContact O-CA 3.36Å; A281-M315 HydrophobicContact CB-SD 4.37Å; A281-I428 HydrophobicContact CB-CD1 4.25Å; A281-I428 HydrophobicContact CB-CG2 4.13Å; A281-A430 PolarHBondContact N-O 3.3Å; A281-I431 HydrophobicContact CB-CG1 4.48Å; A281-I431 CarbonylContact O-C 3.57Å; A281-I431 WeakPolarHBondContact O-CA 3.35Å; A281-I432 PolarHBondContact O-N 3.2Å
282A98.9Very high96.3Very high0 Ų029.6 Ų29.60%018%0.176CC..EExtended strand (participates in β ladder)trans-142.1125.2176.600000114.1M265 L266 F284 L293 I432M265-A282 VanDerWaalsContact CA-O 3.22Å; M265-A282 WeakPolarHBondContact CA-O 3.46Å; L266-A282 HydrophobicContact CD1-CB 4.04Å; L266-A282 HydrophobicContact CD2-CB 3.84Å; L266-A282 HydrophobicContact CG-CB 3.75Å; L266-A282 PolarHBondContact N-O 3.38Å; L266-A282 PolarHBondContact O-N 3.28Å; L266-A282 VanDerWaalsContact O-N 3.1Å; A282-F284 HydrophobicContact CB-CE1 4.25Å; A282-F284 HydrophobicContact CB-CE2 4.11Å; A282-F284 HydrophobicContact CB-CZ 3.81Å; A282-L293 HydrophobicContact CB-CD2 4.34Å; A282-I432 CarbonylContact C-O 3.52Å; A282-I432 WeakPolarHBondContact CA-O 3.35Å; A282-I432 HydrophobicContact CB-CB 3.76Å; A282-I432 HydrophobicContact CB-CD1 4.41Å; A282-I432 HydrophobicContact CB-CG1 4.48Å
283A98.8Very high96.3Very high0 Ų029.4 Ų29.40%018%0.175CC..EExtended strand (participates in β ladder)trans-100.3107.717600000110.4M265 I432 F433 G434 M460 F480 A481M265-A283 HydrophobicContact CE-CB 3.77Å; M265-A283 HydrophobicContact CG-CB 3.64Å; M265-A283 HydrophobicContact SD-CB 4.48Å; A283-I432 PolarHBondContact N-O 2.69Å; A283-F433 HydrophobicContact CB-CD1 3.75Å; A283-F433 HydrophobicContact CB-CE1 3.85Å; A283-G434 PolarHBondContact O-N 3.43Å; A283-M460 WeakPolarHBondContact O-CE 3.34Å; A283-F480 WeakPolarHBondContact CB-O 3.43Å; A283-A481 HydrophobicContact CB-CB 4.17Å
284F98.3Very high96.4Very high2 Ų225.5 Ų25.51%0.00915%0.149CC..  trans-122.9144.4167.3-46.4-42.6000109.8A282 C288 K290 L293 I432 G434 A481 V514A282-F284 HydrophobicContact CB-CE1 4.25Å; A282-F284 HydrophobicContact CB-CE2 4.11Å; A282-F284 HydrophobicContact CB-CZ 3.81Å; F284-C288 HydrophobicContact CB-CB 3.85Å; F284-K290 HydrophobicContact CB-CG 3.81Å; F284-K290 HydrophobicContact CD2-CG 3.83Å; F284-K290 HydrophobicContact CG-CG 4.15Å; F284-K290 PolarHBondContact O-NZ 3.24Å; F284-L293 HydrophobicContact CE2-CD2 3.63Å; F284-L293 HydrophobicContact CZ-CD2 3.86Å; F284-I432 HydrophobicContact CE1-CG2 4.04Å; F284-I432 HydrophobicContact CZ-CG2 4.09Å; F284-G434 WeakPolarHBondContact CD1-O 3.43Å; F284-A481 WeakPolarHBondContact O-CB 3.49Å; F284-V514 HydrophobicContact CE1-CG2 3.54Å; F284-V514 HydrophobicContact CZ-CG2 3.65Å
285P93.9Very high96.4Very high5 Ų519 Ų193%0.03212%0.119CC..  trans-53.1163.1173.6-3038.1000113.1A287 C288 G434 M460 D478 A481P285-A287 PolarHBondContact O-N 3.13Å; P285-C288 HydrophobicContact CB-CB 4.48Å; P285-C288 VanDerWaalsContact O-CB 3.25Å; P285-C288 WeakPolarHBondContact O-CB 3.23Å; P285-C288 PolarHBondContact O-N 3.24Å; P285-G434 WeakPolarHBondContact CD-O 3.42Å; P285-M460 HydrophobicContact CG-CE 4.49Å; P285-D478 WeakPolarHBondContact CB-OD2 3.43Å; P285-D478 HydrophobicContact CG-CB 3.83Å; P285-A481 HydrophobicContact CG-CB 4.2Å
286S86.9Confident96.4Very high16 Ų1616.7 Ų16.711%0.1129%0.094CC..THydrogen-bonded Turntrans-54.8137.4177.7-66.10000110.8R87 C288 T465R87-S286 PolarHBondContact NH2-OG 2.81Å; S286-C288 VanDerWaalsContact C-N 3.26Å; S286-C288 PolarHBondContact O-N 3.37Å; S286-T465 WeakPolarHBondContact O-CG2 3.46Å; S286-T465 PolarHBondContact O-OG1 3.41Å
287A85.3Confident96.4Very high38 Ų3818.1 Ų18.131%0.31410%0.101SC..THydrogen-bonded Turntrans59.526.4-174.600000115.2P285 R436 T465P285-A287 PolarHBondContact O-N 3.13Å; A287-R436 PolarHBondContact O-NE 2.91Å; A287-R436 VanDerWaalsContact O-NE 3.12Å; A287-R436 PolarHBondContact O-NH2 2.84Å; A287-T465 HydrophobicContact CB-CG2 4.12Å
288C91.5Very high96.3Very high1 Ų116 Ų161%0.00710%0.095CC..SBendtrans-107.520173.9-62.40000114.3F284 P285 S286 S462F284-C288 HydrophobicContact CB-CB 3.85Å; P285-C288 HydrophobicContact CB-CB 4.48Å; P285-C288 VanDerWaalsContact O-CB 3.25Å; P285-C288 WeakPolarHBondContact O-CB 3.23Å; P285-C288 PolarHBondContact O-N 3.24Å; S286-C288 VanDerWaalsContact C-N 3.26Å; S286-C288 PolarHBondContact O-N 3.37Å; C288-S462 PolarHBondContact SG-OG 2.84Å
289G92.1Very high96.3Very high16 Ų1616.9 Ų16.917%0.16510%0.104CC..SBendtrans98.816.3165.600000117N292 L293G289-N292 PolarHBondContact O-N 2.65Å; G289-L293 PolarHBondContact O-N 2.9Å
290K97.5Very high96.2Very high11 Ų1116 Ų165%0.04810%0.101CC..Hα-helixtrans-57.6-55.2177.3-67.6-161.3-62.8-67.10112.5H264 L266 F284 N292 L293 A294 D310 D311H264-K290 PolarHBondContact CE1-NZ 3.14Å; H264-K290 PolarHBondContact NE2-NZ 3.16Å; L266-K290 HydrophobicContact CB-CB 4.41Å; L266-K290 HydrophobicContact CD2-CB 3.88Å; L266-K290 HydrophobicContact CD2-CG 4.22Å; L266-K290 VanDerWaalsContact CD2-O 3.27Å; L266-K290 WeakPolarHBondContact CD2-O 3.32Å; F284-K290 HydrophobicContact CB-CG 3.81Å; F284-K290 HydrophobicContact CD2-CG 3.83Å; F284-K290 HydrophobicContact CG-CG 4.15Å; F284-K290 PolarHBondContact O-NZ 3.24Å; K290-N292 VanDerWaalsContact C-N 3.28Å; K290-N292 PolarHBondContact O-N 3.09Å; K290-L293 PolarHBondContact O-N 2.92Å; K290-A294 WeakPolarHBondContact O-CB 3.46Å; K290-A294 PolarHBondContact O-N 2.88Å; K290-D310 VanDerWaalsContact CB-O 3.27Å; K290-D310 WeakPolarHBondContact CB-O 3.19Å; K290-D311 IonicContact NZ-OD1 2.76Å
291T96.6Very high96.2Very high26 Ų2621.5 Ų21.516%0.1614%0.137CC..Hα-helixtrans-57.8-38.8178.5-45.20000112.7L293 M295 D310 N344T291-L293 PolarHBondContact O-N 2.92Å; T291-M295 HydrophobicContact CG2-SD 3.9Å; T291-M295 PolarHBondContact O-N 3Å; T291-M295 VanDerWaalsContact O-N 3.14Å; T291-D310 WeakPolarHBondContact CB-OD2 3.38Å; T291-D310 HydrophobicContact CG2-CB 4.4Å; T291-D310 WeakPolarHBondContact CG2-OD2 3.47Å; T291-D310 PolarHBondContact OG1-OD2 2.8Å; T291-N344 PolarHBondContact O-ND2 2.95Å
292N97.3Very high96.1Very high42 Ų4224.1 Ų24.123%0.22516%0.164CC..Hα-helixtrans-63.4-40.4175.1-62.492.5000112.5G289 K290 M296 T343G289-N292 PolarHBondContact O-N 2.65Å; K290-N292 VanDerWaalsContact C-N 3.28Å; K290-N292 PolarHBondContact O-N 3.09Å; N292-M296 VanDerWaalsContact O-CA 3.27Å; N292-M296 WeakPolarHBondContact O-CA 3.27Å; N292-M296 WeakPolarHBondContact O-CB 3.39Å; N292-M296 PolarHBondContact O-N 2.97Å; N292-M296 VanDerWaalsContact O-N 3.16Å; N292-T343 PolarHBondContact ND2-O 3Å; N292-T343 VanDerWaalsContact ND2-O 3.08Å
293L98.5Very high96.1Very high3 Ų325.1 Ų25.12%0.01617%0.168CC..Hα-helixtrans-74.7-42.9179.7-171.963000111.8L266 L268 A282 F284 G289 K290 T291 M295 M296 N533 L537L266-L293 HydrophobicContact CD2-CB 3.95Å; L266-L293 HydrophobicContact CD2-CD2 4.19Å; L266-L293 HydrophobicContact CD2-CG 4.32Å; L268-L293 HydrophobicContact CD2-CG 3.91Å; L268-L293 WeakPolarHBondContact CD2-O 3.33Å; A282-L293 HydrophobicContact CB-CD2 4.34Å; F284-L293 HydrophobicContact CE2-CD2 3.63Å; F284-L293 HydrophobicContact CZ-CD2 3.86Å; G289-L293 PolarHBondContact O-N 2.9Å; K290-L293 PolarHBondContact O-N 2.92Å; T291-L293 PolarHBondContact O-N 2.92Å; L293-M295 VanDerWaalsContact C-N 3.26Å; L293-M295 PolarHBondContact O-N 3.05Å; L293-M296 HydrophobicContact CD1-CE 4.19Å; L293-M296 HydrophobicContact CD1-SD 4.16Å; L293-M296 VanDerWaalsContact O-CB 3.3Å; L293-M296 WeakPolarHBondContact O-CB 3.11Å; L293-M296 PolarHBondContact O-N 2.94Å; L293-N533 HydrophobicContact CD1-CB 4.22Å; L293-L537 HydrophobicContact CD1-CD1 4.08Å
294A98.7Very high96.1Very high0 Ų030 Ų300%019%0.189CC..Hα-helixtrans-62.2-34.4-179.500000112.6L266 K290 C307 D310L266-A294 HydrophobicContact CB-CB 3.93Å; L266-A294 HydrophobicContact CD1-CB 4.33Å; L266-A294 HydrophobicContact CD2-CB 4.23Å; L266-A294 HydrophobicContact CG-CB 4.4Å; K290-A294 WeakPolarHBondContact O-CB 3.46Å; K290-A294 PolarHBondContact O-N 2.88Å; A294-C307 VanDerWaalsContact O-CB 3.28Å; A294-C307 WeakPolarHBondContact O-CB 3.21Å; A294-D310 HydrophobicContact CB-CB 3.98Å
295M98.3Very high96.2Very high1 Ų130.1 Ų30.11%0.00519%0.189CC..THydrogen-bonded Turntrans-110.924.9-179.4-52.7174.484.800112.3T291 L293 N297 C307 F332 N346 A347 C413 I415T291-M295 HydrophobicContact CG2-SD 3.9Å; T291-M295 PolarHBondContact O-N 3Å; T291-M295 VanDerWaalsContact O-N 3.14Å; L293-M295 VanDerWaalsContact C-N 3.26Å; L293-M295 PolarHBondContact O-N 3.05Å; M295-N297 PolarHBondContact O-N 2.89Å; M295-C307 HydrophobicContact CG-CB 4.24Å; M295-F332 HydrophobicContact CE-CD2 4.17Å; M295-F332 HydrophobicContact CE-CE2 3.88Å; M295-F332 HydrophobicContact SD-CD2 4.4Å; M295-F332 HydrophobicContact SD-CE2 4.38Å; M295-N346 HydrophobicContact CB-CB 4.2Å; M295-N346 PolarHBondContact O-ND2 3.15Å; M295-A347 HydrophobicContact SD-CB 4.31Å; M295-C413 HydrophobicContact CE-CB 3.81Å; M295-C413 WeakPolarHBondContact CE-SG 3.43Å; M295-I415 HydrophobicContact CB-CD1 4.34Å
296M98.6Very high96.4Very high5 Ų530.5 Ų30.53%0.02519%0.191CC..  trans-59.2137.4-173.5178.3172.460.800111.9N292 L293 P298 I305 N533 L537N292-M296 VanDerWaalsContact O-CA 3.27Å; N292-M296 WeakPolarHBondContact O-CA 3.27Å; N292-M296 WeakPolarHBondContact O-CB 3.39Å; N292-M296 PolarHBondContact O-N 2.97Å; N292-M296 VanDerWaalsContact O-N 3.16Å; L293-M296 HydrophobicContact CD1-CE 4.19Å; L293-M296 HydrophobicContact CD1-SD 4.16Å; L293-M296 VanDerWaalsContact O-CB 3.3Å; L293-M296 WeakPolarHBondContact O-CB 3.11Å; L293-M296 PolarHBondContact O-N 2.94Å; M296-P298 WeakPolarHBondContact O-CD 3.5Å; M296-I305 HydrophobicContact CB-CG1 4.38Å; M296-I305 HydrophobicContact CB-CG2 4.39Å; M296-I305 HydrophobicContact CE-CD1 3.72Å; M296-I305 HydrophobicContact CE-CG1 3.57Å; M296-N533 HydrophobicContact SD-CB 3.92Å; M296-L537 HydrophobicContact CE-CD1 3.52Å; M296-L537 HydrophobicContact CE-CG 4.32Å
297N98.4Very high97Very high96 Ų9629.7 Ų29.751%0.51319%0.185SC..  trans-92.4103.5161.7-174.443.1000108.2M295 P345 G531M295-N297 PolarHBondContact O-N 2.89Å; N297-P345 HydrophobicContact CB-CG 3.8Å; N297-G531 WeakPolarHBondContact O-CA 3.39Å
298P98.3Very high97.6Very high22 Ų2228 Ų2814%0.14317%0.171CC..  trans-65.3137.1-173.726.8-33.7000111M296 W303 I305M296-P298 WeakPolarHBondContact O-CD 3.5Å; P298-W303 HydrophobicContact CB-CB 4.29Å; P298-W303 HydrophobicContact CG-CB 4.48Å; P298-W303 WeakPolarHBondContact CG-O 3.12Å; P298-I305 HydrophobicContact CB-CG1 4.4Å; P298-I305 HydrophobicContact CG-CG1 4.25Å
299S97.9Very high98Very high44 Ų4427.9 Ų27.931%0.30817%0.17SC..SBendtrans-77.1-24.4173.762.30000112.6P301 G531 E532 S534S299-P301 WeakPolarHBondContact O-CD 3.19Å; S299-G531 PolarHBondContact N-O 2.9Å; S299-G531 VanDerWaalsContact N-O 3.09Å; S299-G531 PolarHBondContact OG-O 2.83Å; S299-E532 VanDerWaalsContact CB-CD 3.48Å; S299-E532 VanDerWaalsContact CB-OE1 3.23Å; S299-E532 WeakPolarHBondContact CB-OE1 3.34Å; S299-E532 WeakPolarHBondContact CB-OE2 3.44Å; S299-E532 WeakPolarHBondContact OG-CA 3.22Å; S299-E532 PolarHBondContact OG-OE1 3.1Å; S299-E532 PolarHBondContact OG-OE2 2.83Å; S299-S534 PolarHBondContact N-OG 3.48Å; S299-S534 PolarHBondContact OG-OG 3.38Å
300L97.9Very high98.3Very high9 Ų927.3 Ų27.35%0.04716%0.164CC..SBendtrans-72.9124178.4-72.4-177.7000111.8W303 S534 R535 E538 N565L300-W303 HydrophobicContact CB-CB 4.31Å; L300-W303 HydrophobicContact CB-CG 4.09Å; L300-W303 PolarHBondContact O-N 2.91Å; L300-S534 PolarHBondContact N-OG 3.11Å; L300-R535 HydrophobicContact CD1-CB 4.33Å; L300-R535 HydrophobicContact CD1-CG 3.83Å; L300-R535 HydrophobicContact CD2-CG 3.89Å; L300-R535 HydrophobicContact CG-CG 3.8Å; L300-E538 HydrophobicContact CD1-CB 3.99Å; L300-E538 HydrophobicContact CD1-CG 4.49Å; L300-E538 WeakPolarHBondContact CD1-OE2 3.37Å; L300-N565 HydrophobicContact CD2-CB 4.45Å; L300-N565 WeakPolarHBondContact CD2-ND2 3.33Å
301P97.8Very high98.3Very high115 Ų11527.7 Ų27.775%0.74717%0.166SC*.THydrogen-bonded Turntrans-60.1142.2175.5-23.634.1000112.5S299 W303S299-P301 WeakPolarHBondContact O-CD 3.19Å; P301-W303 PolarHBondContact O-N 3.1Å
302G98.1Very high98.4Very high55 Ų5526.5 Ų26.557%0.56716%0.158SC*.THydrogen-bonded Turntrans77.9-10.517800000115
303W98.7Very high98.5Very high21 Ų2124.5 Ų24.58%0.0815%0.148CC..  trans-85.8139.7171.1-72.283.9000110.6I270 T271 N272 P298 L300 P301 E538 F541I270-W303 HydrophobicContact CD1-CE3 3.51Å; I270-W303 HydrophobicContact CD1-CZ3 3.52Å; I270-W303 HydrophobicContact CG1-CE3 3.57Å; I270-W303 HydrophobicContact CG1-CZ3 3.69Å; T271-W303 WeakPolarHBondContact O-CA 3.47Å; N272-W303 HydrophobicContact CB-CD2 4.5Å; N272-W303 HydrophobicContact CB-CE3 4.11Å; N272-W303 HydrophobicContact CB-CH2 3.54Å; N272-W303 HydrophobicContact CB-CZ2 3.94Å; N272-W303 HydrophobicContact CB-CZ3 3.64Å; P298-W303 HydrophobicContact CB-CB 4.29Å; P298-W303 HydrophobicContact CG-CB 4.48Å; P298-W303 WeakPolarHBondContact CG-O 3.12Å; L300-W303 HydrophobicContact CB-CB 4.31Å; L300-W303 HydrophobicContact CB-CG 4.09Å; L300-W303 PolarHBondContact O-N 2.91Å; P301-W303 PolarHBondContact O-N 3.1Å; W303-E538 HydrophobicContact CH2-CB 3.94Å; W303-E538 HydrophobicContact CH2-CG 4.14Å; W303-E538 HydrophobicContact CZ2-CB 3.55Å; W303-E538 HydrophobicContact CZ2-CG 3.46Å; W303-E538 VanDerWaalsContact CZ2-CG 3.46Å; W303-E538 PolarHBondContact NE1-OE1 3.35Å; W303-F541 HydrophobicContact CH2-CB 3.84Å; W303-F541 HydrophobicContact CH2-CD1 4Å; W303-F541 HydrophobicContact CH2-CD2 4.22Å; W303-F541 AromaticContact CH2-CG 3.77Å; W303-F541 HydrophobicContact CH2-CG 3.77Å; W303-F541 HydrophobicContact CZ3-CB 4.06Å; W303-F541 HydrophobicContact CZ3-CD1 4.43Å; W303-F541 AromaticContact CZ3-CD2 3.84Å; W303-F541 HydrophobicContact CZ3-CD2 3.84Å; W303-F541 HydrophobicContact CZ3-CE2 4.37Å; W303-F541 AromaticContact CZ3-CG 3.87Å; W303-F541 HydrophobicContact CZ3-CG 3.87Å
304K98.8Very high98.5Very high102 Ų10224.3 Ų24.344%0.44315%0.147SC..EExtended strand (participates in β ladder)trans-126.7137.8176.9-174.9-173.8175.2-159.30109.9I270 T271 E306I270-K304 WeakPolarHBondContact CA-O 3.4Å; T271-K304 PolarHBondContact N-O 3.16Å; T271-K304 PolarHBondContact O-N 2.98Å; K304-E306 HydrophobicContact CD-CG 4.3Å; K304-E306 VanDerWaalsContact CE-CD 3.42Å; K304-E306 WeakPolarHBondContact CE-OE1 3.26Å; K304-E306 HydrophobicContact CG-CG 4.35Å; K304-E306 IonicContact NZ-OE1 2.89Å; K304-E306 PolarHBondContact NZ-OE1 3.03Å; K304-E306 IonicContact NZ-OE2 3.79Å
305I98.8Very high98.5Very high4 Ų424.3 Ų24.32%0.02115%0.147CC..EExtended strand (participates in β ladder)trans-114.4138.8171.4-59.5-67.1000108.7L268 G269 I270 M296 P298 L537L268-I305 HydrophobicContact CB-CG2 4.41Å; L268-I305 HydrophobicContact CD1-CD1 4.27Å; G269-I305 CarbonylContact O-C 3.48Å; G269-I305 WeakPolarHBondContact O-CA 3.45Å; I270-I305 HydrophobicContact CB-CD1 3.76Å; I270-I305 HydrophobicContact CD1-CD1 3.82Å; I270-I305 HydrophobicContact CG1-CD1 3.68Å; M296-I305 HydrophobicContact CB-CG1 4.38Å; M296-I305 HydrophobicContact CB-CG2 4.39Å; M296-I305 HydrophobicContact CE-CD1 3.72Å; M296-I305 HydrophobicContact CE-CG1 3.57Å; P298-I305 HydrophobicContact CB-CG1 4.4Å; P298-I305 HydrophobicContact CG-CG1 4.25Å; I305-L537 HydrophobicContact CD1-CD1 3.91Å
306E98.9Very high98.6Very high13 Ų1328.3 Ų28.36%0.06116%0.164CC..EExtended strand (participates in β ladder)trans-131.3139.5175.5-67.3174.4115.700109.6L268 G269 K277 K304 I415 D417 P418L268-E306 CarbonylContact C-O 3.52Å; L268-E306 VanDerWaalsContact CA-O 3.31Å; L268-E306 WeakPolarHBondContact CA-O 3.47Å; G269-E306 PolarHBondContact N-O 2.88Å; G269-E306 PolarHBondContact O-N 3.36Å; K277-E306 WeakPolarHBondContact CE-OE2 3.43Å; K277-E306 IonicContact NZ-OE2 3.8Å; K277-E306 PolarHBondContact NZ-OE2 2.91Å; K304-E306 HydrophobicContact CD-CG 4.3Å; K304-E306 VanDerWaalsContact CE-CD 3.42Å; K304-E306 WeakPolarHBondContact CE-OE1 3.26Å; K304-E306 HydrophobicContact CG-CG 4.35Å; K304-E306 IonicContact NZ-OE1 2.89Å; K304-E306 PolarHBondContact NZ-OE1 3.03Å; K304-E306 IonicContact NZ-OE2 3.79Å; E306-I415 CarbonylContact C-O 3.52Å; E306-I415 WeakPolarHBondContact CA-O 3.48Å; E306-D417 HydrophobicContact CB-CB 3.94Å; E306-D417 WeakPolarHBondContact CB-OD2 3.47Å; E306-P418 WeakPolarHBondContact OE1-CD 3.47Å
307C98.9Very high98.6Very high0 Ų029.1 Ų29.10%017%0.168CC..EExtended strand (participates in β ladder)trans-96.2124.1-174.2-175.20000110.7A294 M295 I415 I416 D417A294-C307 VanDerWaalsContact O-CB 3.28Å; A294-C307 WeakPolarHBondContact O-CB 3.21Å; M295-C307 HydrophobicContact CG-CB 4.24Å; C307-I415 PolarHBondContact N-O 3.16Å; C307-I416 VanDerWaalsContact O-CD1 3.3Å; C307-I416 WeakPolarHBondContact O-CD1 3.33Å; C307-D417 WeakPolarHBondContact O-CB 3.4Å; C307-D417 PolarHBondContact O-N 3.35Å
308V98.9Very high98.5Very high1 Ų126.2 Ų26.21%0.00615%0.152CC..EExtended strand (participates in β ladder)trans-93.8-44167.7167.50000110.1I267 Y279 N327 D417 V426I267-V308 HydrophobicContact CB-CB 3.79Å; I267-V308 HydrophobicContact CB-CG1 3.88Å; I267-V308 HydrophobicContact CD1-CG1 4.05Å; I267-V308 HydrophobicContact CG2-CB 3.67Å; I267-V308 HydrophobicContact CG2-CG1 3.81Å; I267-V308 HydrophobicContact CG2-CG2 4.07Å; I267-V308 WeakPolarHBondContact O-CB 3.38Å; I267-V308 PolarHBondContact O-N 3.36Å; Y279-V308 HydrophobicContact CD1-CG2 4.17Å; Y279-V308 HydrophobicContact CE1-CG2 3.88Å; V308-N327 HydrophobicContact CG1-CB 4.04Å; V308-N327 VanDerWaalsContact O-CB 3.31Å; V308-N327 WeakPolarHBondContact O-CB 3.47Å; V308-N327 PolarHBondContact O-ND2 2.62Å; V308-D417 HydrophobicContact CG2-CB 3.54Å; V308-V426 HydrophobicContact CG2-CG1 4.31Å; V308-V426 HydrophobicContact CG2-CG2 4.36Å
309G98.7Very high98.5Very high0 Ų034 Ų340%019%0.186CC..EExtended strand (participates in β ladder)trans-164.5157.1175.800000111.4L266 I267 N327L266-G309 CarbonylContact C-O 3.57Å; L266-G309 WeakPolarHBondContact CA-O 3.27Å; L266-G309 WeakPolarHBondContact CB-O 3.5Å; I267-G309 PolarHBondContact N-O 3.17Å; I267-G309 PolarHBondContact O-N 2.82Å; I267-G309 VanDerWaalsContact O-N 3.13Å; I267-G309 VanDerWaalsContact O-O 3.08Å; G309-N327 VanDerWaalsContact CA-ND2 3.31Å; G309-N327 WeakPolarHBondContact CA-ND2 3.41Å
310D98.4Very high98.4Very high4 Ų437.1 Ų37.12%0.02120%0.196CC..SBendtrans-109.6-9.5-171.786.8-40.9000115.1K290 T291 A294 F332K290-D310 VanDerWaalsContact CB-O 3.27Å; K290-D310 WeakPolarHBondContact CB-O 3.19Å; T291-D310 WeakPolarHBondContact CB-OD2 3.38Å; T291-D310 HydrophobicContact CG2-CB 4.4Å; T291-D310 WeakPolarHBondContact CG2-OD2 3.47Å; T291-D310 PolarHBondContact OG1-OD2 2.8Å; A294-D310 HydrophobicContact CB-CB 3.98Å; D310-F332 HydrophobicContact CB-CD1 3.9Å; D310-F332 HydrophobicContact CB-CE1 4.16Å; D310-F332 WeakPolarHBondContact OD1-CD1 3.5Å
311D98.5Very high98.5Very high19 Ų1936.8 Ų36.810%0.10220%0.196CC..SBendtrans-144-35.8-166.9-174.365.5000115.5K243 K244 H264 M265 K290K243-D311 WeakPolarHBondContact CE-OD2 3.18Å; K243-D311 IonicContact NZ-OD2 3.65Å; K243-D311 PolarHBondContact NZ-OD2 3.01Å; K244-D311 WeakPolarHBondContact CE-OD2 3.32Å; K244-D311 IonicContact NZ-OD1 3.09Å; K244-D311 PolarHBondContact NZ-OD1 2.76Å; K244-D311 IonicContact NZ-OD2 3.86Å; K244-D311 PolarHBondContact NZ-OD2 3.13Å; H264-D311 CarbonylContact C-O 3.6Å; H264-D311 VanDerWaalsContact C-O 3.26Å; H264-D311 WeakPolarHBondContact CA-O 3.39Å; H264-D311 PolarHBondContact CD2-O 2.82Å; H264-D311 VanDerWaalsContact CD2-O 3.22Å; H264-D311 IonicContact CD2-OD1 3.26Å; H264-D311 PolarHBondContact CD2-OD1 2.77Å; H264-D311 VanDerWaalsContact CD2-OD1 3.26Å; H264-D311 IonicContact NE2-OD1 3.66Å; H264-D311 PolarHBondContact NE2-OD1 3.48Å; M265-D311 PolarHBondContact N-O 3.3Å; M265-D311 CarbonylContact O-C 3.51Å; K290-D311 IonicContact NZ-OD1 2.76Å
312I98.8Very high98.5Very high0 Ų032.9 Ų32.90%017%0.168CC..  trans-129.3137.6-178-53.7178.1000110.8K243 A247 L248 E263 M265 P328 E329K243-I312 HydrophobicContact CG-CD1 4.01Å; K243-I312 WeakPolarHBondContact O-CD1 3.26Å; A247-I312 HydrophobicContact CB-CD1 3.91Å; A247-I312 HydrophobicContact CB-CG2 4.13Å; L248-I312 HydrophobicContact CD1-CD1 4.39Å; L248-I312 HydrophobicContact CD1-CG1 4.31Å; L248-I312 HydrophobicContact CD2-CG1 4.47Å; L248-I312 HydrophobicContact CD2-CG2 3.99Å; L248-I312 HydrophobicContact CG-CD1 4.23Å; L248-I312 HydrophobicContact CG-CG1 4.3Å; L248-I312 HydrophobicContact CG-CG2 4.39Å; E263-I312 WeakPolarHBondContact O-CA 3.23Å; M265-I312 CarbonylContact O-C 3.59Å; M265-I312 WeakPolarHBondContact O-CA 3.43Å; M265-I312 PolarHBondContact O-N 3.17Å; M265-I312 VanDerWaalsContact O-N 3.13Å; I312-P328 HydrophobicContact CB-CG 3.9Å; I312-P328 HydrophobicContact CG2-CG 3.43Å; I312-P328 VanDerWaalsContact CG2-CG 3.43Å; I312-P328 WeakPolarHBondContact O-CD 3.47Å; I312-E329 HydrophobicContact CB-CG 4.44Å; I312-E329 HydrophobicContact CD1-CG 4.14Å; I312-E329 HydrophobicContact CG1-CG 4.48Å
313A98.9Very high98.5Very high0 Ų030.3 Ų30.30%014%0.142CC..EExtended strand (participates in β ladder)trans-127.5129.617300000110.4E263 M265 I267 M315E263-A313 PolarHBondContact N-O 2.69Å; E263-A313 PolarHBondContact O-N 3.22Å; M265-A313 HydrophobicContact CB-CB 3.88Å; M265-A313 PolarHBondContact O-N 2.58Å; I267-A313 HydrophobicContact CD1-CB 3.7Å; I267-A313 HydrophobicContact CG1-CB 3.74Å; A313-M315 HydrophobicContact CB-CG 4.09Å; A313-M315 HydrophobicContact CB-SD 4.36Å
314W98.9Very high98.5Very high0 Ų032.7 Ų32.70%015%0.15CC..EExtended strand (participates in β ladder)trans-106.2121.8165.6-69.8-4.3000109M146 L153 K155 A247 A251 W260 L261 A325 I326 P328M146-W314 HydrophobicContact CB-CH2 3.43Å; M146-W314 VanDerWaalsContact CB-CH2 3.43Å; M146-W314 HydrophobicContact CB-CZ2 4.11Å; M146-W314 HydrophobicContact CB-CZ3 3.98Å; M146-W314 HydrophobicContact CG-CH2 4.28Å; L153-W314 WeakPolarHBondContact O-CZ3 3.35Å; K155-W314 HydrophobicContact CB-CH2 3.93Å; K155-W314 HydrophobicContact CB-CZ3 4.09Å; K155-W314 HydrophobicContact CG-CH2 3.94Å; K155-W314 HydrophobicContact CG-CZ3 3.83Å; A247-W314 HydrophobicContact CB-CZ2 3.65Å; A247-W314 PolarHBondContact O-NE1 3.12Å; A251-W314 HydrophobicContact CB-CZ2 3.84Å; W260-W314 HydrophobicContact CE3-CB 4.29Å; W260-W314 HydrophobicContact CE3-CG 4.44Å; W260-W314 HydrophobicContact CH2-CD2 4.04Å; W260-W314 HydrophobicContact CH2-CE3 4.44Å; W260-W314 HydrophobicContact CH2-CG 4.23Å; W260-W314 HydrophobicContact CZ3-CB 3.87Å; W260-W314 AromaticContact CZ3-CD1 3.78Å; W260-W314 AromaticContact CZ3-CD2 3.87Å; W260-W314 HydrophobicContact CZ3-CD2 3.87Å; W260-W314 HydrophobicContact CZ3-CE3 4.49Å; W260-W314 AromaticContact CZ3-CG 3.57Å; W260-W314 HydrophobicContact CZ3-CG 3.57Å; L261-W314 CarbonylContact O-C 3.52Å; L261-W314 WeakPolarHBondContact O-CA 3.28Å; W314-A325 CarbonylContact O-C 3.52Å; W314-A325 VanDerWaalsContact O-CA 3.28Å; W314-A325 WeakPolarHBondContact O-CA 3.47Å; W314-I326 HydrophobicContact CB-CG1 3.98Å; W314-I326 HydrophobicContact CE3-CD1 4.12Å; W314-I326 PolarHBondContact N-O 3.35Å; W314-I326 PolarHBondContact O-N 3.09Å; W314-P328 HydrophobicContact CD2-CB 3.87Å; W314-P328 HydrophobicContact CD2-CG 4.05Å; W314-P328 HydrophobicContact CE3-CB 4.05Å; W314-P328 HydrophobicContact CG-CB 4.41Å; W314-P328 HydrophobicContact CG-CG 4.13Å; W314-P328 HydrophobicContact CH2-CB 4.27Å; W314-P328 HydrophobicContact CZ2-CB 4.09Å; W314-P328 HydrophobicContact CZ2-CG 4.5Å; W314-P328 HydrophobicContact CZ3-CB 4.24Å
315M98.9Very high98.5Very high0 Ų027.8 Ų27.80%013%0.129CC..EExtended strand (participates in β ladder)trans-128.1133.4-168.7-47.4-179.5-74.700112.5W260 L261 E263 M265 A281 A313 L323 R324 A325 I428 W497W260-M315 CarbonylContact C-O 3.47Å; W260-M315 WeakPolarHBondContact CB-O 3.41Å; L261-M315 HydrophobicContact CB-CB 4.29Å; L261-M315 HydrophobicContact CB-CE 4.02Å; L261-M315 HydrophobicContact CD1-CE 4Å; L261-M315 PolarHBondContact N-O 2.97Å; L261-M315 PolarHBondContact O-N 3.07Å; E263-M315 HydrophobicContact CB-CE 4.08Å; E263-M315 HydrophobicContact CG-CE 3.53Å; M265-M315 HydrophobicContact SD-CE 3.89Å; M265-M315 HydrophobicContact SD-SD 4.47Å; A281-M315 HydrophobicContact CB-SD 4.37Å; A313-M315 HydrophobicContact CB-CG 4.09Å; A313-M315 HydrophobicContact CB-SD 4.36Å; M315-L323 HydrophobicContact CB-CD1 3.7Å; M315-L323 HydrophobicContact CB-CD2 4.45Å; M315-L323 HydrophobicContact CB-CG 4.04Å; M315-L323 HydrophobicContact SD-CD2 4.1Å; M315-R324 CarbonylContact C-O 3.57Å; M315-R324 WeakPolarHBondContact CA-O 3.45Å; M315-A325 HydrophobicContact CB-CB 4.46Å; M315-A325 HydrophobicContact CG-CB 3.72Å; M315-A325 HydrophobicContact SD-CB 4.46Å; M315-I428 HydrophobicContact SD-CG1 4.36Å; M315-W497 HydrophobicContact CE-CH2 4.49Å
316K98.6Very high98.5Very high84 Ų8427.7 Ų27.737%0.36513%0.129SC..EExtended strand (participates in β ladder)trans-141.4138.8178.5-171.8171.2-179.6172.60110.4L153 W260 D318 R324L153-K316 HydrophobicContact CD2-CB 3.68Å; L153-K316 HydrophobicContact CD2-CD 3.77Å; L153-K316 HydrophobicContact CD2-CG 4.38Å; W260-K316 HydrophobicContact CB-CB 3.81Å; W260-K316 HydrophobicContact CB-CD 4.13Å; W260-K316 HydrophobicContact CB-CG 3.9Å; K316-D318 PolarHBondContact O-N 2.97Å; K316-R324 PolarHBondContact N-O 3.03Å; K316-R324 PolarHBondContact O-N 3.02Å
317F98.6Very high98.5Very high22 Ų2227.1 Ų27.110%0.09613%0.126CC..EExtended strand (participates in β ladder)trans-68.1126.4170.2-75.6-80.2000110G321 N322 L323 M500 A506 L508F317-G321 VanDerWaalsContact CD1-O 3.26Å; F317-G321 WeakPolarHBondContact CD1-O 3.15Å; F317-N322 CarbonylContact C-O 3.51Å; F317-N322 WeakPolarHBondContact CA-O 3.42Å; F317-L323 HydrophobicContact CD1-CB 4.18Å; F317-L323 HydrophobicContact CD2-CD1 3.98Å; F317-L323 HydrophobicContact CE1-CB 3.83Å; F317-L323 HydrophobicContact CE1-CD1 4.43Å; F317-L323 HydrophobicContact CE2-CD1 3.86Å; F317-L323 HydrophobicContact CG-CD1 4.31Å; F317-L323 HydrophobicContact CZ-CB 4.09Å; F317-L323 HydrophobicContact CZ-CD1 4.1Å; F317-L323 HydrophobicContact CZ-CG 4.49Å; F317-M500 HydrophobicContact CD2-SD 4.14Å; F317-M500 HydrophobicContact CE2-CB 4.01Å; F317-M500 HydrophobicContact CE2-CG 4.29Å; F317-M500 HydrophobicContact CE2-SD 3.98Å; F317-A506 HydrophobicContact CD1-CB 4.24Å; F317-A506 HydrophobicContact CE1-CB 3.97Å; F317-A506 HydrophobicContact CZ-CB 4.31Å; F317-L508 HydrophobicContact CZ-CD2 3.9Å
318D97.9Very high98.5Very high36 Ų3627.1 Ų27.119%0.19313%0.126CC..  trans-78.9175.9171.968.620.4000111.8K316 Q320 G321 N322 R324K316-D318 PolarHBondContact O-N 2.97Å; D318-Q320 PolarHBondContact O-N 3Å; D318-Q320 VanDerWaalsContact OD1-C 3.27Å; D318-Q320 WeakPolarHBondContact OD1-CA 3.47Å; D318-Q320 PolarHBondContact OD1-N 2.89Å; D318-G321 PolarHBondContact O-N 3.06Å; D318-G321 PolarHBondContact OD1-N 3.47Å; D318-N322 PolarHBondContact N-O 2.81Å; D318-N322 PolarHBondContact OD1-N 3.15Å; D318-N322 PolarHBondContact OD1-ND2 2.98Å; D318-N322 VanDerWaalsContact OD1-ND2 3.15Å; D318-N322 WeakPolarHBondContact OD2-CB 3.49Å; D318-N322 PolarHBondContact OD2-ND2 3.07Å; D318-R324 HydrophobicContact CB-CG 3.92Å; D318-R324 IonicContact OD2-CZ 2.71Å; D318-R324 IonicContact OD2-NE 3.7Å; D318-R324 PolarHBondContact OD2-NE 3.03Å; D318-R324 IonicContact OD2-NH2 2.65Å; D318-R324 PolarHBondContact OD2-NH2 2.99Å
319E96.7Very high98.5Very high184 Ų18427.1 Ų27.186%0.8613%0.126SC*.THydrogen-bonded Turntrans-62.9-22.8179.4-63.6-178169.100113.2G321E319-G321 VanDerWaalsContact C-N 3.27Å
320Q97.6Very high98.5Very high110 Ų11028.8 Ų28.851%0.51414%0.135SC..THydrogen-bonded Turntrans-90.16175.8-60.877.137.400112.3D318 N322 K507D318-Q320 PolarHBondContact O-N 3Å; D318-Q320 VanDerWaalsContact OD1-C 3.27Å; D318-Q320 WeakPolarHBondContact OD1-CA 3.47Å; D318-Q320 PolarHBondContact OD1-N 2.89Å; Q320-N322 VanDerWaalsContact C-N 3.3Å; Q320-N322 PolarHBondContact O-N 2.77Å; Q320-K507 WeakPolarHBondContact O-CE 3.5Å; Q320-K507 PolarHBondContact O-NZ 3.15Å
321G98.2Very high98.5Very high3 Ų328.6 Ų28.63%0.03113%0.134CC..SBendtrans75.311.2177.800000114.6F317 D318 E319 A505 K507F317-G321 VanDerWaalsContact CD1-O 3.26Å; F317-G321 WeakPolarHBondContact CD1-O 3.15Å; D318-G321 PolarHBondContact O-N 3.06Å; D318-G321 PolarHBondContact OD1-N 3.47Å; E319-G321 VanDerWaalsContact C-N 3.27Å; G321-A505 WeakPolarHBondContact CA-O 3.43Å; G321-K507 WeakPolarHBondContact O-CB 3.22Å; G321-K507 PolarHBondContact O-N 3.21Å
322N98.6Very high98.5Very high32 Ų3227.7 Ų27.717%0.17113%0.129CC..BIsolated β-bridgetrans-80.2137.5173.4-40.9-70.3000109.6F317 D318 Q320 R324 P427 K507F317-N322 CarbonylContact C-O 3.51Å; F317-N322 WeakPolarHBondContact CA-O 3.42Å; D318-N322 PolarHBondContact N-O 2.81Å; D318-N322 PolarHBondContact OD1-N 3.15Å; D318-N322 PolarHBondContact OD1-ND2 2.98Å; D318-N322 VanDerWaalsContact OD1-ND2 3.15Å; D318-N322 WeakPolarHBondContact OD2-CB 3.49Å; D318-N322 PolarHBondContact OD2-ND2 3.07Å; Q320-N322 VanDerWaalsContact C-N 3.3Å; Q320-N322 PolarHBondContact O-N 2.77Å; N322-R324 PolarHBondContact O-N 3.02Å; N322-R324 VanDerWaalsContact O-N 3.13Å; N322-P427 HydrophobicContact CB-CB 4.29Å; N322-K507 WeakPolarHBondContact OD1-CD 3.41Å; N322-K507 PolarHBondContact OD1-NZ 3.28Å
323L98.8Very high98.5Very high2 Ų228.1 Ų28.11%0.0113%0.131CC..EExtended strand (participates in β ladder)trans-7699.4171.1-176.161.7000109.4M315 F317 I428 I431 P509M315-L323 HydrophobicContact CB-CD1 3.7Å; M315-L323 HydrophobicContact CB-CD2 4.45Å; M315-L323 HydrophobicContact CB-CG 4.04Å; M315-L323 HydrophobicContact SD-CD2 4.1Å; F317-L323 HydrophobicContact CD1-CB 4.18Å; F317-L323 HydrophobicContact CD2-CD1 3.98Å; F317-L323 HydrophobicContact CE1-CB 3.83Å; F317-L323 HydrophobicContact CE1-CD1 4.43Å; F317-L323 HydrophobicContact CE2-CD1 3.86Å; F317-L323 HydrophobicContact CG-CD1 4.31Å; F317-L323 HydrophobicContact CZ-CB 4.09Å; F317-L323 HydrophobicContact CZ-CD1 4.1Å; F317-L323 HydrophobicContact CZ-CG 4.49Å; L323-I428 HydrophobicContact CB-CB 4.4Å; L323-I428 HydrophobicContact CD2-CB 4.26Å; L323-I428 HydrophobicContact CD2-CG2 4.44Å; L323-I428 HydrophobicContact CG-CB 4.36Å; L323-I428 PolarHBondContact O-N 3.2Å; L323-I431 HydrophobicContact CD2-CD1 4.23Å; L323-P509 HydrophobicContact CD2-CG 3.96Å
324R98.8Very high98.3Very high70 Ų7028.1 Ų28.126%0.26413%0.131SC..EExtended strand (participates in β ladder)trans-82.2135177.2-65.9-66.8179.7158.21.6110.7M315 K316 D318 N322 G425 V426M315-R324 CarbonylContact C-O 3.57Å; M315-R324 WeakPolarHBondContact CA-O 3.45Å; K316-R324 PolarHBondContact N-O 3.03Å; K316-R324 PolarHBondContact O-N 3.02Å; D318-R324 HydrophobicContact CB-CG 3.92Å; D318-R324 IonicContact OD2-CZ 2.71Å; D318-R324 IonicContact OD2-NE 3.7Å; D318-R324 PolarHBondContact OD2-NE 3.03Å; D318-R324 IonicContact OD2-NH2 2.65Å; D318-R324 PolarHBondContact OD2-NH2 2.99Å; N322-R324 PolarHBondContact O-N 3.02Å; N322-R324 VanDerWaalsContact O-N 3.13Å; R324-G425 PolarHBondContact NH1-O 2.62Å; R324-V426 CarbonylContact C-O 3.59Å; R324-V426 WeakPolarHBondContact CA-O 3.28Å
325A98.9Very high98.2Very high0 Ų029.7 Ų29.70%014%0.141CC..EExtended strand (participates in β ladder)trans-123.9138177.400000112.3I267 W314 M315 G425 V426 I428I267-A325 HydrophobicContact CD1-CB 3.72Å; I267-A325 HydrophobicContact CG1-CB 4.35Å; W314-A325 CarbonylContact O-C 3.52Å; W314-A325 VanDerWaalsContact O-CA 3.28Å; W314-A325 WeakPolarHBondContact O-CA 3.47Å; M315-A325 HydrophobicContact CB-CB 4.46Å; M315-A325 HydrophobicContact CG-CB 3.72Å; M315-A325 HydrophobicContact SD-CB 4.46Å; A325-G425 CarbonylContact O-C 3.55Å; A325-G425 WeakPolarHBondContact O-CA 3.4Å; A325-V426 HydrophobicContact CB-CG2 4.44Å; A325-V426 PolarHBondContact N-O 3.15Å; A325-V426 PolarHBondContact O-N 3.42Å; A325-I428 HydrophobicContact CB-CD1 3.67Å; A325-I428 HydrophobicContact CB-CG1 3.51Å
326I98.9Very high98Very high2 Ų229.7 Ų29.71%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-114.3152.9164.562.3159.6000110.2L153 I267 W314 P328L153-I326 HydrophobicContact CB-CD1 3.56Å; L153-I326 HydrophobicContact CB-CG1 3.94Å; L153-I326 HydrophobicContact CD1-CG1 3.98Å; L153-I326 HydrophobicContact CD1-CG2 4.05Å; I267-I326 WeakPolarHBondContact CD1-O 3.27Å; W314-I326 HydrophobicContact CB-CG1 3.98Å; W314-I326 HydrophobicContact CE3-CD1 4.12Å; W314-I326 PolarHBondContact N-O 3.35Å; W314-I326 PolarHBondContact O-N 3.09Å; I326-P328 WeakPolarHBondContact O-CD 3.42Å
327N98.7Very high97.9Very high1 Ų127 Ų271%0.00513%0.131CC..  trans-86.1113.8160.7172.819.2000108.2V308 G309 E329V308-N327 HydrophobicContact CG1-CB 4.04Å; V308-N327 VanDerWaalsContact O-CB 3.31Å; V308-N327 WeakPolarHBondContact O-CB 3.47Å; V308-N327 PolarHBondContact O-ND2 2.62Å; G309-N327 VanDerWaalsContact CA-ND2 3.31Å; G309-N327 WeakPolarHBondContact CA-ND2 3.41Å; N327-E329 PolarHBondContact ND2-O 2.81Å; N327-E329 PolarHBondContact O-N 2.87Å; N327-E329 WeakPolarHBondContact OD1-CB 3.2Å; N327-E329 PolarHBondContact OD1-N 3.01Å
328P98.6Very high97.6Very high0 Ų027.4 Ų27.40%014%0.143CC..  trans-70.1-19.5177.627.6-32.1000113.1M146 G147 R175 A247 I312 W314 I326M146-P328 CarbonylContact C-O 3.6Å; M146-P328 WeakPolarHBondContact CA-O 3.49Å; M146-P328 HydrophobicContact CB-CB 4.05Å; M146-P328 HydrophobicContact CE-CB 4Å; G147-P328 VanDerWaalsContact N-CA 3.33Å; G147-P328 PolarHBondContact N-O 3.26Å; R175-P328 PolarHBondContact NH1-O 2.98Å; A247-P328 HydrophobicContact CB-CG 4.19Å; I312-P328 HydrophobicContact CB-CG 3.9Å; I312-P328 HydrophobicContact CG2-CG 3.43Å; I312-P328 VanDerWaalsContact CG2-CG 3.43Å; I312-P328 WeakPolarHBondContact O-CD 3.47Å; W314-P328 HydrophobicContact CD2-CB 3.87Å; W314-P328 HydrophobicContact CD2-CG 4.05Å; W314-P328 HydrophobicContact CE3-CB 4.05Å; W314-P328 HydrophobicContact CG-CB 4.41Å; W314-P328 HydrophobicContact CG-CG 4.13Å; W314-P328 HydrophobicContact CH2-CB 4.27Å; W314-P328 HydrophobicContact CZ2-CB 4.09Å; W314-P328 HydrophobicContact CZ2-CG 4.5Å; W314-P328 HydrophobicContact CZ3-CB 4.24Å; I326-P328 WeakPolarHBondContact O-CD 3.42Å
329E98.8Very high97.6Very high1 Ų126.1 Ų26.11%0.00514%0.136CC..  trans-85.5156.1-176.8-51.5-166.684.100112.7M146 M173 R175 K243 I312 N327M146-E329 HydrophobicContact CE-CG 4.39Å; M173-E329 HydrophobicContact CE-CB 4.41Å; M173-E329 WeakPolarHBondContact CE-OE1 3.39Å; R175-E329 PolarHBondContact NH1-O 2.88Å; R175-E329 PolarHBondContact NH2-O 2.9Å; K243-E329 WeakPolarHBondContact CD-OE1 3.4Å; K243-E329 WeakPolarHBondContact CG-OE1 3.45Å; K243-E329 IonicContact NZ-OE1 3.53Å; K243-E329 PolarHBondContact NZ-OE1 3.46Å; K243-E329 IonicContact NZ-OE2 3.88Å; K243-E329 PolarHBondContact NZ-OE2 2.84Å; I312-E329 HydrophobicContact CB-CG 4.44Å; I312-E329 HydrophobicContact CD1-CG 4.14Å; I312-E329 HydrophobicContact CG1-CG 4.48Å; N327-E329 PolarHBondContact ND2-O 2.81Å; N327-E329 PolarHBondContact O-N 2.87Å; N327-E329 WeakPolarHBondContact OD1-CB 3.2Å; N327-E329 PolarHBondContact OD1-N 3.01Å
330N98.8Very high97.5Very high34 Ų3417.4 Ų17.418%0.18210%0.095CC..SBendtrans-108.1-2.6179.1-164.941.8000113.2I172 M173 T174 R175 A410 W420I172-N330 CarbonylContact O-C 3.41Å; I172-N330 WeakPolarHBondContact O-CB 3.3Å; M173-N330 PolarHBondContact O-N 2.82Å; T174-N330 VanDerWaalsContact C-CB 3.42Å; T174-N330 WeakPolarHBondContact O-CB 3.32Å; T174-N330 PolarHBondContact O-ND2 2.91Å; T174-N330 VanDerWaalsContact O-ND2 3.11Å; R175-N330 HydrophobicContact CG-CB 4.46Å; N330-A410 WeakPolarHBondContact O-CB 3.45Å; N330-A410 PolarHBondContact O-N 3.21Å; N330-W420 WeakPolarHBondContact OD1-CH2 3.2Å
331G98.7Very high97.4Very high0 Ų016 Ų160%09%0.094CC..EExtended strand (participates in β ladder)trans-151.6176.6-175.700000112.1I172 M173 T408I172-G331 PolarHBondContact O-N 2.95Å; M173-G331 WeakPolarHBondContact CE-O 3.24Å; G331-T408 CarbonylContact C-O 3.51Å; G331-T408 WeakPolarHBondContact CA-O 3.37Å
332F98.8Very high97.2Very high0 Ų023.7 Ų23.70%013%0.127CC..EExtended strand (participates in β ladder)trans-111127.8173.4-50-59000109.9M295 D310 F406 C407 T408 A410 C413 I416M295-F332 HydrophobicContact CE-CD2 4.17Å; M295-F332 HydrophobicContact CE-CE2 3.88Å; M295-F332 HydrophobicContact SD-CD2 4.4Å; M295-F332 HydrophobicContact SD-CE2 4.38Å; D310-F332 HydrophobicContact CB-CD1 3.9Å; D310-F332 HydrophobicContact CB-CE1 4.16Å; D310-F332 WeakPolarHBondContact OD1-CD1 3.5Å; F332-F406 HydrophobicContact CB-CE2 4.44Å; F332-C407 WeakPolarHBondContact O-CA 3.33Å; F332-T408 HydrophobicContact CB-CG2 4.06Å; F332-T408 HydrophobicContact CD2-CG2 4Å; F332-T408 PolarHBondContact N-O 3.37Å; F332-T408 PolarHBondContact O-N 3.03Å; F332-A410 HydrophobicContact CE1-CB 4.16Å; F332-A410 HydrophobicContact CE2-CB 3.9Å; F332-A410 HydrophobicContact CZ-CB 3.71Å; F332-C413 HydrophobicContact CE2-CB 3.81Å; F332-C413 HydrophobicContact CZ-CB 4.34Å; F332-I416 HydrophobicContact CZ-CD1 4.17Å
333F97.8Very high97Very high9 Ų922.8 Ų22.84%0.03912%0.122CC..EExtended strand (participates in β ladder)trans-106.362.4172.8-164.6-114.5000110M173 L240 K243 R405 F406 C407M173-F333 HydrophobicContact CE-CB 3.84Å; M173-F333 HydrophobicContact SD-CB 3.96Å; L240-F333 HydrophobicContact CD1-CD2 4.48Å; L240-F333 HydrophobicContact CD1-CE2 4.44Å; K243-F333 HydrophobicContact CD-CB 4.34Å; F333-R405 HydrophobicContact CD1-CG 4.16Å; F333-R405 HydrophobicContact CD2-CB 4.31Å; F333-R405 HydrophobicContact CE1-CB 4.14Å; F333-R405 HydrophobicContact CE1-CG 3.59Å; F333-R405 HydrophobicContact CE2-CB 3.81Å; F333-R405 HydrophobicContact CE2-CG 4.2Å; F333-R405 HydrophobicContact CZ-CB 3.72Å; F333-R405 HydrophobicContact CZ-CG 3.61Å; F333-R405 PolarHBondContact O-NH1 2.86Å; F333-F406 CarbonylContact C-O 3.56Å; F333-F406 WeakPolarHBondContact CA-O 3.23Å; F333-C407 HydrophobicContact CD2-CB 3.83Å; F333-C407 HydrophobicContact CE2-CB 4.13Å
334G95.8Very high96.9Very high1 Ų122.8 Ų22.81%0.0112%0.122CC..EExtended strand (participates in β ladder)trans-80152.5-167.500000113.5R405 F406G334-R405 WeakPolarHBondContact O-CA 3.32Å; G334-R405 WeakPolarHBondContact O-CD 3.27Å; G334-F406 PolarHBondContact N-O 2.82Å; G334-F406 PolarHBondContact O-N 3.19Å; G334-F406 VanDerWaalsContact O-N 3.07Å
335V95.3Very high96.9Very high32 Ų3220.6 Ų20.619%0.19412%0.117CC..EExtended strand (participates in β ladder)trans-71125.2171176.80000108.6T339V335-T339 PolarHBondContact O-OG1 3.03Å
336A96.3Very high96.9Very high0 Ų020.9 Ų20.90%012%0.119CC..  trans-75.5-52-179.300000112.7G338 T339 V360 W370 S404 F406A336-G338 PolarHBondContact O-N 2.7Å; A336-T339 WeakPolarHBondContact O-CB 3.15Å; A336-T339 PolarHBondContact O-N 3.02Å; A336-T339 PolarHBondContact O-OG1 2.77Å; A336-V360 HydrophobicContact CB-CG1 3.78Å; A336-W370 HydrophobicContact CB-CD2 3.93Å; A336-W370 HydrophobicContact CB-CE3 3.63Å; A336-W370 HydrophobicContact CB-CH2 4.38Å; A336-W370 HydrophobicContact CB-CZ3 3.85Å; A336-W370 VanDerWaalsContact O-CE2 3.31Å; A336-W370 PolarHBondContact O-NE1 3.13Å; A336-S404 PolarHBondContact N-O 2.94Å; A336-F406 HydrophobicContact CB-CD1 4.11Å
337P95.8Very high96.8Very high27 Ų2720.9 Ų20.918%0.17512%0.119CC..THydrogen-bonded Turntrans-58.1135.6-176.5-25.736.9000112.9T339 W370 H401 S404P337-T339 VanDerWaalsContact C-N 3.28Å; P337-W370 HydrophobicContact CG-CB 4.44Å; P337-H401 WeakPolarHBondContact CG-O 3.43Å; P337-S404 VanDerWaalsContact CD-OG 3.22Å; P337-S404 WeakPolarHBondContact CD-OG 3.31Å; P337-S404 WeakPolarHBondContact CG-OG 3.44Å
338G93.3Very high96.8Very high32 Ų3221.3 Ų21.333%0.3312%0.121SC..THydrogen-bonded Turntrans81.2-4.6-174.100000115.1A336 T343 E371A336-G338 PolarHBondContact O-N 2.7Å; G338-T343 WeakPolarHBondContact O-CB 3.47Å; G338-T343 WeakPolarHBondContact O-CG2 3.34Å; G338-T343 PolarHBondContact O-OG1 3.26Å; G338-E371 PolarHBondContact N-O 2.78Å
339T96Very high96.8Very high9 Ų927.8 Ų27.86%0.05515%0.149CC..  trans-78.1120.1170.3-61.50000109.4V335 A336 P337 N344 A347 I348 W370V335-T339 PolarHBondContact O-OG1 3.03Å; A336-T339 WeakPolarHBondContact O-CB 3.15Å; A336-T339 PolarHBondContact O-N 3.02Å; A336-T339 PolarHBondContact O-OG1 2.77Å; P337-T339 VanDerWaalsContact C-N 3.28Å; T339-N344 HydrophobicContact CG2-CB 4.34Å; T339-A347 HydrophobicContact CG2-CB 3.98Å; T339-I348 HydrophobicContact CG2-CD1 3.86Å; T339-I348 HydrophobicContact CG2-CG1 4.21Å; T339-W370 HydrophobicContact CG2-CZ2 4.3Å; T339-W370 WeakPolarHBondContact O-CZ2 3.4Å; T339-W370 PolarHBondContact O-NE1 3.17Å
340S96.3Very high96.8Very high0 Ų027.8 Ų27.80%015%0.149CC..  trans-144.8173.2177.669.50000111.3K342 T343 N344 G372 I373 D374S340-K342 PolarHBondContact O-N 2.82Å; S340-K342 PolarHBondContact OG-N 3.31Å; S340-T343 PolarHBondContact N-OG1 2.84Å; S340-T343 PolarHBondContact O-N 3.07Å; S340-T343 PolarHBondContact OG-N 3.09Å; S340-T343 PolarHBondContact OG-OG1 2.87Å; S340-N344 CarbonylContact O-C 3.59Å; S340-N344 VanDerWaalsContact O-C 3.24Å; S340-N344 PolarHBondContact O-N 3.21Å; S340-G372 WeakPolarHBondContact CB-O 3.44Å; S340-I373 WeakPolarHBondContact CB-O 3.27Å; S340-D374 WeakPolarHBondContact CB-OD2 3.4Å; S340-D374 PolarHBondContact OG-OD2 2.51Å
341V94.9Very high96.8Very high81 Ų8126.2 Ų26.249%0.49114%0.141SC..THydrogen-bonded Turntrans-55.7-30.8171.4176.80000111.3P345 I348 E375V341-P345 WeakPolarHBondContact O-CB 3.37Å; V341-P345 WeakPolarHBondContact O-CD 3.42Å; V341-I348 HydrophobicContact CG2-CG2 4.3Å; V341-E375 WeakPolarHBondContact CG2-OE1 3.27Å
342K94.2Very high96.7Very high165 Ų16529.2 Ų29.272%0.71715%0.154SC*.THydrogen-bonded Turntrans-76.4-43.1177.8-176.9-178.2177.3-177.50112.6S340S340-K342 PolarHBondContact O-N 2.82Å; S340-K342 PolarHBondContact OG-N 3.31Å
343T94.1Very high96.6Very high13 Ų1333.2 Ų33.28%0.0817%0.171CC..THydrogen-bonded Turntrans-92-31.4-170.362.70000113.7N292 G338 S340 Y530N292-T343 PolarHBondContact ND2-O 3Å; N292-T343 VanDerWaalsContact ND2-O 3.08Å; G338-T343 WeakPolarHBondContact O-CB 3.47Å; G338-T343 WeakPolarHBondContact O-CG2 3.34Å; G338-T343 PolarHBondContact O-OG1 3.26Å; S340-T343 PolarHBondContact N-OG1 2.84Å; S340-T343 PolarHBondContact O-N 3.07Å; S340-T343 PolarHBondContact OG-N 3.09Å; S340-T343 PolarHBondContact OG-OG1 2.87Å; T343-Y530 HydrophobicContact CG2-CD1 4.07Å; T343-Y530 HydrophobicContact CG2-CD2 4.44Å; T343-Y530 HydrophobicContact CG2-CE1 3.52Å; T343-Y530 HydrophobicContact CG2-CE2 3.92Å; T343-Y530 HydrophobicContact CG2-CG 4.49Å; T343-Y530 VanDerWaalsContact CG2-CZ 3.42Å; T343-Y530 WeakPolarHBondContact O-CD1 3.41Å
344N97.2Very high96.7Very high2 Ų235.3 Ų35.31%0.01118%0.183CC..  trans-158.876.5176.9-165-16.9000111.6T291 T339 S340 N346 A347 I348T291-N344 PolarHBondContact O-ND2 2.95Å; T339-N344 HydrophobicContact CG2-CB 4.34Å; S340-N344 CarbonylContact O-C 3.59Å; S340-N344 VanDerWaalsContact O-C 3.24Å; S340-N344 PolarHBondContact O-N 3.21Å; N344-N346 PolarHBondContact O-N 3.16Å; N344-N346 PolarHBondContact OD1-N 3.35Å; N344-A347 HydrophobicContact CB-CB 4Å; N344-A347 WeakPolarHBondContact ND2-CB 3.33Å; N344-A347 PolarHBondContact O-N 3.38Å; N344-A347 WeakPolarHBondContact OD1-CB 3.33Å; N344-A347 PolarHBondContact OD1-N 2.97Å; N344-I348 PolarHBondContact O-N 3.22Å
345P97.7Very high96.8Very high23 Ų2335.2 Ų35.215%0.14918%0.182CC..Hα-helixtrans-63.1-26.2-179.924.2-32.8000113.1N297 V341 K349N297-P345 HydrophobicContact CB-CG 3.8Å; V341-P345 WeakPolarHBondContact O-CB 3.37Å; V341-P345 WeakPolarHBondContact O-CD 3.42Å; P345-K349 WeakPolarHBondContact O-CG 3.44Å; P345-K349 PolarHBondContact O-N 3.13Å; P345-K349 VanDerWaalsContact O-N 3.14Å
346N98.6Very high97Very high7 Ų734 Ų344%0.03717%0.174CC..Hα-helixtrans-72.5-40.4178-68-40.8000111.3M295 N344 K349 T350 P414 I415M295-N346 HydrophobicContact CB-CB 4.2Å; M295-N346 PolarHBondContact O-ND2 3.15Å; N344-N346 PolarHBondContact O-N 3.16Å; N344-N346 PolarHBondContact OD1-N 3.35Å; N346-K349 PolarHBondContact O-N 3Å; N346-T350 PolarHBondContact O-N 3.33Å; N346-T350 VanDerWaalsContact O-N 3.07Å; N346-T350 PolarHBondContact O-OG1 2.82Å; N346-P414 HydrophobicContact CB-CG 4.18Å; N346-I415 HydrophobicContact CB-CD1 4.31Å; N346-I415 HydrophobicContact CB-CG1 4.24Å; N346-I415 VanDerWaalsContact ND2-CD1 3.27Å; N346-I415 WeakPolarHBondContact ND2-CD1 3.46Å
347A98.2Very high97.1Very high1 Ų134 Ų341%0.00817%0.174CC..Hα-helixtrans-61.4-45.5171.800000111.6M295 T339 N344 K349 T350 I351 F406M295-A347 HydrophobicContact SD-CB 4.31Å; T339-A347 HydrophobicContact CG2-CB 3.98Å; N344-A347 HydrophobicContact CB-CB 4Å; N344-A347 WeakPolarHBondContact ND2-CB 3.33Å; N344-A347 PolarHBondContact O-N 3.38Å; N344-A347 WeakPolarHBondContact OD1-CB 3.33Å; N344-A347 PolarHBondContact OD1-N 2.97Å; A347-K349 VanDerWaalsContact C-N 3.28Å; A347-K349 PolarHBondContact O-N 2.84Å; A347-T350 WeakPolarHBondContact O-CA 3.48Å; A347-T350 WeakPolarHBondContact O-CB 3.4Å; A347-T350 PolarHBondContact O-N 3.15Å; A347-I351 WeakPolarHBondContact O-CG1 3.39Å; A347-I351 WeakPolarHBondContact O-CG2 3.43Å; A347-I351 PolarHBondContact O-N 2.98Å; A347-I351 VanDerWaalsContact O-N 3.1Å; A347-F406 HydrophobicContact CB-CZ 4.33Å
348I97.8Very high97.3Very high11 Ų1132.8 Ų32.86%0.05617%0.166CC..Hα-helixtrans-54.3-44.4175.8-66.5-63.4000111.6T339 V341 N344 T350 I351 F352 W370T339-I348 HydrophobicContact CG2-CD1 3.86Å; T339-I348 HydrophobicContact CG2-CG1 4.21Å; V341-I348 HydrophobicContact CG2-CG2 4.3Å; N344-I348 PolarHBondContact O-N 3.22Å; I348-T350 VanDerWaalsContact C-N 3.29Å; I348-T350 PolarHBondContact O-N 3.44Å; I348-I351 HydrophobicContact CD1-CD1 4.23Å; I348-I351 WeakPolarHBondContact O-CG1 3.4Å; I348-F352 HydrophobicContact CG2-CD2 4.38Å; I348-F352 HydrophobicContact CG2-CE2 3.48Å; I348-F352 VanDerWaalsContact CG2-CE2 3.48Å; I348-F352 HydrophobicContact CG2-CZ 3.95Å; I348-F352 WeakPolarHBondContact O-CD2 3.37Å; I348-F352 WeakPolarHBondContact O-CE2 3.47Å; I348-W370 HydrophobicContact CD1-CZ2 4.18Å
349K98.2Very high97.5Very high136 Ų13631.3 Ų31.359%0.59115%0.151SC*.Hα-helixtrans-65.6-30.3175.9-69.9170.3-176.3176.70113.6P345 N346 A347 P414P345-K349 WeakPolarHBondContact O-CG 3.44Å; P345-K349 PolarHBondContact O-N 3.13Å; P345-K349 VanDerWaalsContact O-N 3.14Å; N346-K349 PolarHBondContact O-N 3Å; A347-K349 VanDerWaalsContact C-N 3.28Å; A347-K349 PolarHBondContact O-N 2.84Å; K349-P414 HydrophobicContact CB-CG 4.16Å; K349-P414 HydrophobicContact CD-CG 4.12Å
350T98.8Very high97.7Very high1 Ų130.9 Ų30.91%0.00615%0.148CC..Hα-helixtrans-76.6-37.9-174.9-53.40000111.9N346 A347 I348 T408 Q412 C413 P414N346-T350 PolarHBondContact O-N 3.33Å; N346-T350 VanDerWaalsContact O-N 3.07Å; N346-T350 PolarHBondContact O-OG1 2.82Å; A347-T350 WeakPolarHBondContact O-CA 3.48Å; A347-T350 WeakPolarHBondContact O-CB 3.4Å; A347-T350 PolarHBondContact O-N 3.15Å; I348-T350 VanDerWaalsContact C-N 3.29Å; I348-T350 PolarHBondContact O-N 3.44Å; T350-T408 HydrophobicContact CG2-CG2 3.72Å; T350-T408 PolarHBondContact O-OG1 2.79Å; T350-Q412 HydrophobicContact CG2-CB 4Å; T350-Q412 PolarHBondContact O-NE2 2.88Å; T350-C413 HydrophobicContact CG2-CB 4.33Å; T350-C413 WeakPolarHBondContact OG1-CA 3.32Å; T350-P414 WeakPolarHBondContact OG1-CD 3.44Å
351I98.5Very high97.8Very high0 Ų030.9 Ų30.90%015%0.148CC..THydrogen-bonded Turntrans-86-6.9-165.762.9179000115.4A347 I348 K353 T355 F357 W370 F406 T408A347-I351 WeakPolarHBondContact O-CG1 3.39Å; A347-I351 WeakPolarHBondContact O-CG2 3.43Å; A347-I351 PolarHBondContact O-N 2.98Å; A347-I351 VanDerWaalsContact O-N 3.1Å; I348-I351 HydrophobicContact CD1-CD1 4.23Å; I348-I351 WeakPolarHBondContact O-CG1 3.4Å; I351-K353 VanDerWaalsContact C-N 3.27Å; I351-K353 PolarHBondContact O-N 2.96Å; I351-T355 HydrophobicContact CB-CG2 4.22Å; I351-T355 VanDerWaalsContact O-CB 3.24Å; I351-T355 WeakPolarHBondContact O-CB 3.49Å; I351-T355 PolarHBondContact O-OG1 2.78Å; I351-F357 HydrophobicContact CB-CE1 4.29Å; I351-F357 HydrophobicContact CB-CZ 3.91Å; I351-F357 HydrophobicContact CD1-CE1 4.11Å; I351-F357 HydrophobicContact CD1-CZ 4.23Å; I351-F357 HydrophobicContact CG1-CZ 4.2Å; I351-F357 WeakPolarHBondContact O-CZ 3.16Å; I351-W370 HydrophobicContact CD1-CH2 3.65Å; I351-W370 HydrophobicContact CD1-CZ2 4.43Å; I351-F406 HydrophobicContact CG2-CB 4.05Å; I351-F406 HydrophobicContact CG2-CD1 4.12Å; I351-F406 HydrophobicContact CG2-CD2 3.51Å; I351-F406 HydrophobicContact CG2-CE1 4.46Å; I351-F406 HydrophobicContact CG2-CE2 3.9Å; I351-F406 HydrophobicContact CG2-CG 3.63Å; I351-F406 HydrophobicContact CG2-CZ 4.35Å; I351-T408 HydrophobicContact CG2-CG2 4.09Å
352F97Very high97.9Very high63 Ų6328 Ų2828%0.27613%0.13SC..THydrogen-bonded Turntrans-87.310-177.2-66-43.5000114.5Y72 E73 I348Y72-F352 HydrophobicContact CD1-CB 4.24Å; Y72-F352 AromaticContact CD1-CD1 3.66Å; Y72-F352 HydrophobicContact CD1-CD1 3.66Å; Y72-F352 HydrophobicContact CD1-CE1 4.34Å; Y72-F352 HydrophobicContact CD1-CG 4.18Å; Y72-F352 HydrophobicContact CD2-CD1 4.4Å; Y72-F352 AromaticContact CE1-CD1 3.42Å; Y72-F352 HydrophobicContact CE1-CD1 3.42Å; Y72-F352 VanDerWaalsContact CE1-CD1 3.42Å; Y72-F352 AromaticContact CE1-CE1 3.63Å; Y72-F352 HydrophobicContact CE1-CE1 3.63Å; Y72-F352 HydrophobicContact CE1-CG 4.19Å; Y72-F352 HydrophobicContact CE2-CD1 4.18Å; Y72-F352 HydrophobicContact CE2-CE1 4.32Å; Y72-F352 HydrophobicContact CG-CD1 4.16Å; Y72-F352 AromaticContact CZ-CD1 3.7Å; Y72-F352 AromaticContact CZ-CE1 3.61Å; E73-F352 PolarHBondContact N-O 3.14Å; I348-F352 HydrophobicContact CG2-CD2 4.38Å; I348-F352 HydrophobicContact CG2-CE2 3.48Å; I348-F352 VanDerWaalsContact CG2-CE2 3.48Å; I348-F352 HydrophobicContact CG2-CZ 3.95Å; I348-F352 WeakPolarHBondContact O-CD2 3.37Å; I348-F352 WeakPolarHBondContact O-CE2 3.47Å
353K98.3Very high98.1Very high84 Ų8420.4 Ų20.437%0.36510%0.097SC..BIsolated β-bridgetrans-144.7149.2168.363.8178.8-173.7178.90112.6E73 I351 T355 Q412E73-K353 HydrophobicContact CB-CB 3.98Å; E73-K353 CarbonylContact O-C 3.13Å; E73-K353 WeakPolarHBondContact O-CA 3.41Å; I351-K353 VanDerWaalsContact C-N 3.27Å; I351-K353 PolarHBondContact O-N 2.96Å; K353-T355 PolarHBondContact O-N 2.91Å; K353-T355 VanDerWaalsContact O-N 3.12Å; K353-T355 PolarHBondContact O-OG1 3.42Å; K353-Q412 PolarHBondContact O-NE2 2.84Å
354N98.8Very high98.3Very high53 Ų5323.4 Ų23.428%0.28312%0.118SC..SBendtrans47.441.7175.8-52.3-54.9000113.7E73 N74 P409 Q412E73-N354 PolarHBondContact O-N 3.13Å; N74-N354 WeakPolarHBondContact CB-OD1 3.46Å; N74-N354 PolarHBondContact ND2-OD1 2.79Å; N74-N354 VanDerWaalsContact O-CA 3.24Å; N74-N354 WeakPolarHBondContact O-CA 3.33Å; N74-N354 PolarHBondContact O-N 2.82Å; N354-P409 HydrophobicContact CB-CG 4.4Å; N354-P409 WeakPolarHBondContact O-CD 3.22Å; N354-Q412 PolarHBondContact ND2-OE1 2.79Å
355T98.9Very high98.2Very high0 Ų026.3 Ų26.30%013%0.134CC..  trans-124.8135.4-169.9-65.70000111.4N74 C75 W76 I351 K353 F357 F406 C407 T408N74-T355 PolarHBondContact O-N 2.99Å; C75-T355 CarbonylContact C-O 3.57Å; C75-T355 WeakPolarHBondContact CA-O 3.46Å; W76-T355 PolarHBondContact N-O 2.85Å; I351-T355 HydrophobicContact CB-CG2 4.22Å; I351-T355 VanDerWaalsContact O-CB 3.24Å; I351-T355 WeakPolarHBondContact O-CB 3.49Å; I351-T355 PolarHBondContact O-OG1 2.78Å; K353-T355 PolarHBondContact O-N 2.91Å; K353-T355 VanDerWaalsContact O-N 3.12Å; K353-T355 PolarHBondContact O-OG1 3.42Å; T355-F357 HydrophobicContact CG2-CD2 3.97Å; T355-F357 HydrophobicContact CG2-CE1 4.24Å; T355-F357 HydrophobicContact CG2-CE2 3.58Å; T355-F357 HydrophobicContact CG2-CG 4.46Å; T355-F357 HydrophobicContact CG2-CZ 3.73Å; T355-F406 HydrophobicContact CG2-CB 4.02Å; T355-C407 WeakPolarHBondContact CA-O 3.03Å; T355-T408 VanDerWaalsContact OG1-CB 3.32Å; T355-T408 WeakPolarHBondContact OG1-CB 3.42Å; T355-T408 PolarHBondContact OG1-OG1 3.42Å
356I98.9Very high98.2Very high5 Ų525.5 Ų25.53%0.02613%0.13CC..EExtended strand (participates in β ladder)trans-100.4121.1171.9-55.9174000108.2W76 Y165 A168 I172 F406 C407W76-I356 HydrophobicContact CB-CG1 4.42Å; Y165-I356 HydrophobicContact CE2-CG2 3.93Å; A168-I356 HydrophobicContact CB-CD1 3.8Å; I172-I356 HydrophobicContact CD1-CD1 3.99Å; I172-I356 HydrophobicContact CD1-CG1 4.04Å; I356-F406 CarbonylContact O-C 3.44Å; I356-C407 HydrophobicContact CB-CB 4.29Å; I356-C407 PolarHBondContact N-O 3.05Å; I356-C407 WeakPolarHBondContact O-CB 3.49Å; I356-C407 PolarHBondContact O-N 2.87Å
357F98.9Very high98.1Very high0 Ų025.1 Ų25.10%013%0.128CC..EExtended strand (participates in β ladder)trans-98.6142.5172.8-64.6-91.5000110.3L69 C75 W76 L77 A78 I351 T355 V360 I368 W370 R405 F406L69-F357 HydrophobicContact CD1-CD2 3.59Å; L69-F357 HydrophobicContact CD1-CE2 4.07Å; L69-F357 HydrophobicContact CD1-CG 4.42Å; C75-F357 HydrophobicContact CB-CE2 4.24Å; W76-F357 PolarHBondContact O-N 2.83Å; L77-F357 CarbonylContact C-O 3.51Å; L77-F357 WeakPolarHBondContact CA-O 3.22Å; L77-F357 HydrophobicContact CD1-CB 4.09Å; A78-F357 PolarHBondContact N-O 2.84Å; I351-F357 HydrophobicContact CB-CE1 4.29Å; I351-F357 HydrophobicContact CB-CZ 3.91Å; I351-F357 HydrophobicContact CD1-CE1 4.11Å; I351-F357 HydrophobicContact CD1-CZ 4.23Å; I351-F357 HydrophobicContact CG1-CZ 4.2Å; I351-F357 WeakPolarHBondContact O-CZ 3.16Å; T355-F357 HydrophobicContact CG2-CD2 3.97Å; T355-F357 HydrophobicContact CG2-CE1 4.24Å; T355-F357 HydrophobicContact CG2-CE2 3.58Å; T355-F357 HydrophobicContact CG2-CG 4.46Å; T355-F357 HydrophobicContact CG2-CZ 3.73Å; F357-V360 HydrophobicContact CB-CG2 3.71Å; F357-V360 HydrophobicContact CD1-CG1 4.45Å; F357-V360 HydrophobicContact CD1-CG2 4.31Å; F357-V360 HydrophobicContact CG-CG2 4.27Å; F357-I368 HydrophobicContact CD1-CG2 4.44Å; F357-I368 HydrophobicContact CD2-CG2 4.24Å; F357-I368 HydrophobicContact CE1-CG1 4.21Å; F357-I368 HydrophobicContact CE2-CG2 4.5Å; F357-I368 HydrophobicContact CG-CG2 4.2Å; F357-I368 HydrophobicContact CZ-CG1 4.29Å; F357-W370 HydrophobicContact CD1-CZ3 4.3Å; F357-W370 HydrophobicContact CE1-CH2 4.39Å; F357-W370 AromaticContact CE1-CZ3 3.96Å; F357-W370 HydrophobicContact CE1-CZ3 3.96Å; F357-R405 WeakPolarHBondContact CA-O 3.44Å; F357-F406 HydrophobicContact CD1-CB 3.84Å; F357-F406 HydrophobicContact CE1-CB 3.79Å
358T98.9Very high98.1Very high2 Ų225.4 Ų25.41%0.01213%0.129CC..EExtended strand (participates in β ladder)trans-131.8121.7-179-52.90000110.4A78 T80 Y165 V360 S404 R405A78-T358 HydrophobicContact CB-CG2 4.39Å; A78-T358 VanDerWaalsContact O-CA 3.32Å; A78-T358 WeakPolarHBondContact O-CA 3.43Å; T80-T358 HydrophobicContact CG2-CG2 3.64Å; Y165-T358 PolarHBondContact OH-OG1 2.92Å; T358-V360 VanDerWaalsContact C-N 3.33Å; T358-V360 PolarHBondContact O-N 3.36Å; T358-S404 VanDerWaalsContact O-CA 3.29Å; T358-S404 WeakPolarHBondContact O-CA 3.34Å; T358-S404 WeakPolarHBondContact O-CB 3.2Å; T358-R405 PolarHBondContact N-O 2.97Å; T358-R405 PolarHBondContact O-N 2.99Å
359N98.7Very high98.1Very high1 Ų127.3 Ų27.31%0.00514%0.136CC..SBendtrans63.127.3178.7-60.9-28.5000116A78 L79 T80 W386 H401 S404A78-N359 PolarHBondContact O-N 3.38Å; L79-N359 WeakPolarHBondContact CA-OD1 3.36Å; T80-N359 PolarHBondContact N-OD1 3.07Å; T80-N359 PolarHBondContact OG1-ND2 3.18Å; T80-N359 PolarHBondContact OG1-OD1 3.42Å; N359-W386 HydrophobicContact CB-CB 4.26Å; N359-W386 HydrophobicContact CB-CE3 4.09Å; N359-W386 WeakPolarHBondContact O-CB 3.47Å; N359-H401 HydrophobicContact CB-CB 3.72Å; N359-H401 PolarHBondContact O-N 3.46Å; N359-S404 VanDerWaalsContact C-CB 3.43Å; N359-S404 WeakPolarHBondContact O-CB 3.16Å
360V98.7Very high98Very high0 Ų020.9 Ų20.90%011%0.108CC..  trans-88.2168166.8-58.30000110.5L77 A336 F357 T358 I368 W370 A400L77-V360 HydrophobicContact CD1-CG2 3.5Å; A336-V360 HydrophobicContact CB-CG1 3.78Å; F357-V360 HydrophobicContact CB-CG2 3.71Å; F357-V360 HydrophobicContact CD1-CG1 4.45Å; F357-V360 HydrophobicContact CD1-CG2 4.31Å; F357-V360 HydrophobicContact CG-CG2 4.27Å; T358-V360 VanDerWaalsContact C-N 3.33Å; T358-V360 PolarHBondContact O-N 3.36Å; V360-I368 HydrophobicContact CG2-CB 4.08Å; V360-I368 HydrophobicContact CG2-CG2 3.77Å; V360-W370 HydrophobicContact CB-CE3 4.32Å; V360-W370 HydrophobicContact CG1-CE3 3.86Å; V360-W370 HydrophobicContact CG1-CZ3 4.37Å; V360-A400 HydrophobicContact CB-CB 4.49Å
361A98.3Very high97.9Very high0 Ų023.8 Ų23.80%012%0.122CC..EExtended strand (participates in β ladder)trans-79.9153.2171.800000110.7I368 Y369 T384 C399A361-I368 CarbonylContact O-C 3.59Å; A361-I368 VanDerWaalsContact O-CA 3.3Å; A361-I368 WeakPolarHBondContact O-CA 3.45Å; A361-Y369 WeakPolarHBondContact CB-O 3.35Å; A361-Y369 PolarHBondContact N-O 3.08Å; A361-Y369 PolarHBondContact O-N 3.12Å; A361-T384 CarbonylContact C-O 3.49Å; A361-T384 VanDerWaalsContact CA-O 3.32Å; A361-T384 WeakPolarHBondContact CA-O 3.37Å; A361-T384 WeakPolarHBondContact CB-O 3.41Å; A361-C399 HydrophobicContact CB-CB 3.8Å; A361-C399 WeakPolarHBondContact CB-O 3.18Å
362E98.1Very high97.6Very high21 Ų2125.4 Ų25.410%0.09814%0.138CC..EExtended strand (participates in β ladder)trans-104.7141.3173-169.1-175.2-173.800110.4K67 L69 L77 G367 L383 T384K67-E362 WeakPolarHBondContact CD-OE1 3.48Å; K67-E362 WeakPolarHBondContact CD-OE2 3.37Å; K67-E362 VanDerWaalsContact CE-OE1 3.22Å; K67-E362 WeakPolarHBondContact CE-OE1 3.43Å; K67-E362 IonicContact NZ-OE1 3.11Å; K67-E362 PolarHBondContact NZ-OE1 2.74Å; K67-E362 IonicContact NZ-OE2 3.89Å; K67-E362 PolarHBondContact NZ-OE2 3.24Å; L69-E362 HydrophobicContact CD2-CG 4.28Å; L77-E362 HydrophobicContact CD2-CB 3.84Å; L77-E362 HydrophobicContact CD2-CG 4.31Å; E362-G367 WeakPolarHBondContact CA-O 3.44Å; E362-L383 CarbonylContact O-C 3.59Å; E362-L383 WeakPolarHBondContact O-CA 3.34Å; E362-L383 WeakPolarHBondContact O-CD2 3.27Å; E362-T384 PolarHBondContact N-O 3.01Å; E362-T384 PolarHBondContact O-N 2.8Å
363T97.8Very high97.4Very high6 Ų622.9 Ų22.94%0.03713%0.127CC..EExtended strand (participates in β ladder)trans-95.7147.8170.947.20000110.5D365 G366 G367 L377 V381 T382 L383T363-D365 WeakPolarHBondContact CB-OD1 3.33Å; T363-D365 PolarHBondContact O-N 3.37Å; T363-D365 VanDerWaalsContact O-N 3.08Å; T363-D365 PolarHBondContact OG1-OD1 2.83Å; T363-G366 PolarHBondContact O-N 3.19Å; T363-G367 PolarHBondContact N-O 3.3Å; T363-G367 WeakPolarHBondContact OG1-CA 3.23Å; T363-G367 PolarHBondContact OG1-N 3.4Å; T363-G367 PolarHBondContact OG1-O 3.13Å; T363-L377 HydrophobicContact CG2-CD2 4Å; T363-V381 HydrophobicContact CG2-CG1 4.07Å; T363-T382 WeakPolarHBondContact CA-O 3.12Å; T363-L383 HydrophobicContact CG2-CD2 3.42Å; T363-L383 VanDerWaalsContact CG2-CD2 3.42Å
364S97.5Very high96.6Very high75 Ų7523.7 Ų23.752%0.52414%0.136SC..THydrogen-bonded Turntrans-62.2-17-17758.90000115G366 V381 T382S364-G366 VanDerWaalsContact C-N 3.31Å; S364-V381 WeakPolarHBondContact OG-CA 3.49Å; S364-T382 WeakPolarHBondContact CB-OG1 3.35Å; S364-T382 PolarHBondContact N-O 2.97Å; S364-T382 PolarHBondContact OG-N 3.48Å
365D96.4Very high95.9Very high64 Ų6425.5 Ų25.534%0.34214%0.142SC..THydrogen-bonded Turntrans-90.59.9172.867.9-23.4000113.1K71 T363K71-D365 WeakPolarHBondContact CE-OD2 3.35Å; K71-D365 IonicContact NZ-OD1 3.96Å; K71-D365 IonicContact NZ-OD2 3.64Å; K71-D365 PolarHBondContact NZ-OD2 3.06Å; T363-D365 WeakPolarHBondContact CB-OD1 3.33Å; T363-D365 PolarHBondContact O-N 3.37Å; T363-D365 VanDerWaalsContact O-N 3.08Å; T363-D365 PolarHBondContact OG1-OD1 2.83Å
366G96.8Very high95.2Very high5 Ų531.3 Ų31.35%0.05218%0.18CC..SBendtrans85.219.5172.900000115L69 S70 K71 T363 S364L69-G366 CarbonylContact C-O 3.57Å; L69-G366 WeakPolarHBondContact CA-O 3.45Å; L69-G366 WeakPolarHBondContact CB-O 3.44Å; S70-G366 PolarHBondContact N-O 3.03Å; K71-G366 VanDerWaalsContact CB-O 3.31Å; K71-G366 WeakPolarHBondContact CB-O 3.21Å; K71-G366 PolarHBondContact N-O 2.94Å; K71-G366 VanDerWaalsContact N-O 3.16Å; T363-G366 PolarHBondContact O-N 3.19Å; S364-G366 VanDerWaalsContact C-N 3.31Å
367G97.3Very high94.5Very high0 Ų033.9 Ų33.90%019%0.194CC..  trans-99-166.7172.100000113.9E362 T363E362-G367 WeakPolarHBondContact CA-O 3.44Å; T363-G367 PolarHBondContact N-O 3.3Å; T363-G367 WeakPolarHBondContact OG1-CA 3.23Å; T363-G367 PolarHBondContact OG1-N 3.4Å; T363-G367 PolarHBondContact OG1-O 3.13Å
368I97.7Very high93.9Very high7 Ų737.2 Ų37.24%0.03622%0.216CC..EExtended strand (participates in β ladder)trans-116.5162.9179.657.865.5000112.1L69 Y72 F357 V360 A361 W370 I373L69-I368 HydrophobicContact CD1-CG2 3.55Å; L69-I368 HydrophobicContact CD2-CG2 4.02Å; L69-I368 HydrophobicContact CG-CG2 4.44Å; Y72-I368 HydrophobicContact CE2-CB 4.47Å; Y72-I368 HydrophobicContact CE2-CG1 3.93Å; Y72-I368 HydrophobicContact CE2-CG2 4.22Å; Y72-I368 PolarHBondContact OH-N 3.48Å; F357-I368 HydrophobicContact CD1-CG2 4.44Å; F357-I368 HydrophobicContact CD2-CG2 4.24Å; F357-I368 HydrophobicContact CE1-CG1 4.21Å; F357-I368 HydrophobicContact CE2-CG2 4.5Å; F357-I368 HydrophobicContact CG-CG2 4.2Å; F357-I368 HydrophobicContact CZ-CG1 4.29Å; V360-I368 HydrophobicContact CG2-CB 4.08Å; V360-I368 HydrophobicContact CG2-CG2 3.77Å; A361-I368 CarbonylContact O-C 3.59Å; A361-I368 VanDerWaalsContact O-CA 3.3Å; A361-I368 WeakPolarHBondContact O-CA 3.45Å; I368-W370 HydrophobicContact CD1-CE3 3.8Å; I368-W370 HydrophobicContact CD1-CH2 3.63Å; I368-W370 HydrophobicContact CD1-CZ2 4.44Å; I368-W370 HydrophobicContact CD1-CZ3 3.26Å; I368-W370 HydrophobicContact CG1-CE3 4.5Å; I368-W370 HydrophobicContact CG1-CH2 4.49Å; I368-W370 HydrophobicContact CG1-CZ3 3.86Å; I368-I373 HydrophobicContact CD1-CD1 3.53Å
369Y97.4Very high93.4Very high51 Ų5143.5 Ų43.520%0.226%0.259CS..EExtended strand (participates in β ladder)trans-152153.5170.5-162.3-95.8000111.6A361 I373 L377 L383A361-Y369 WeakPolarHBondContact CB-O 3.35Å; A361-Y369 PolarHBondContact N-O 3.08Å; A361-Y369 PolarHBondContact O-N 3.12Å; Y369-I373 HydrophobicContact CD2-CG2 3.69Å; Y369-I373 HydrophobicContact CE2-CG2 3.39Å; Y369-I373 HydrophobicContact CG-CG2 4.38Å; Y369-L377 HydrophobicContact CD2-CD2 3.51Å; Y369-L377 HydrophobicContact CD2-CG 4.18Å; Y369-L377 HydrophobicContact CE2-CD1 4.37Å; Y369-L377 HydrophobicContact CE2-CD2 3.6Å; Y369-L377 HydrophobicContact CE2-CG 3.74Å; Y369-L377 HydrophobicContact CG-CD2 4.21Å; Y369-L383 HydrophobicContact CD1-CD1 3.65Å; Y369-L383 HydrophobicContact CD1-CD2 4.28Å; Y369-L383 HydrophobicContact CE1-CD1 4.04Å; Y369-L383 HydrophobicContact CG-CD1 4.07Å; Y369-L383 HydrophobicContact CG-CD2 3.93Å
370W97.3Very high93Very high0 Ų046.8 Ų46.80%029%0.294CS..  trans-158.6168.5173.356.366.8000111.3A336 P337 T339 I348 I351 F357 V360 I368 G372 I373 A400A336-W370 HydrophobicContact CB-CD2 3.93Å; A336-W370 HydrophobicContact CB-CE3 3.63Å; A336-W370 HydrophobicContact CB-CH2 4.38Å; A336-W370 HydrophobicContact CB-CZ3 3.85Å; A336-W370 VanDerWaalsContact O-CE2 3.31Å; A336-W370 PolarHBondContact O-NE1 3.13Å; P337-W370 HydrophobicContact CG-CB 4.44Å; T339-W370 HydrophobicContact CG2-CZ2 4.3Å; T339-W370 WeakPolarHBondContact O-CZ2 3.4Å; T339-W370 PolarHBondContact O-NE1 3.17Å; I348-W370 HydrophobicContact CD1-CZ2 4.18Å; I351-W370 HydrophobicContact CD1-CH2 3.65Å; I351-W370 HydrophobicContact CD1-CZ2 4.43Å; F357-W370 HydrophobicContact CD1-CZ3 4.3Å; F357-W370 HydrophobicContact CE1-CH2 4.39Å; F357-W370 AromaticContact CE1-CZ3 3.96Å; F357-W370 HydrophobicContact CE1-CZ3 3.96Å; V360-W370 HydrophobicContact CB-CE3 4.32Å; V360-W370 HydrophobicContact CG1-CE3 3.86Å; V360-W370 HydrophobicContact CG1-CZ3 4.37Å; I368-W370 HydrophobicContact CD1-CE3 3.8Å; I368-W370 HydrophobicContact CD1-CH2 3.63Å; I368-W370 HydrophobicContact CD1-CZ2 4.44Å; I368-W370 HydrophobicContact CD1-CZ3 3.26Å; I368-W370 HydrophobicContact CG1-CE3 4.5Å; I368-W370 HydrophobicContact CG1-CH2 4.49Å; I368-W370 HydrophobicContact CG1-CZ3 3.86Å; W370-G372 PolarHBondContact O-N 3.25Å; W370-I373 HydrophobicContact CD2-CD1 4.21Å; W370-I373 HydrophobicContact CG-CB 4.38Å; W370-I373 HydrophobicContact CH2-CD1 4.34Å; W370-I373 HydrophobicContact CZ2-CD1 3.96Å; W370-I373 HydrophobicContact CZ2-CG1 4.05Å; W370-I373 PolarHBondContact O-N 2.97Å; W370-A400 HydrophobicContact CB-CB 3.6Å
371E95.2Very high92.8Very high63 Ų6348.2 Ų48.229%0.29430%0.302SS..THydrogen-bonded Turntrans-59.5121.9174.4-73.561.6-141.500111.5G338 P398 C399 A400G338-E371 PolarHBondContact N-O 2.78Å; E371-P398 HydrophobicContact CG-CB 4.29Å; E371-P398 WeakPolarHBondContact OE1-CA 3.22Å; E371-P398 WeakPolarHBondContact OE1-CB 3.37Å; E371-C399 PolarHBondContact OE1-N 3.27Å; E371-C399 PolarHBondContact OE1-SG 3.48Å; E371-A400 PolarHBondContact OE2-N 3.26Å
372G92.8Very high92.7Very high34 Ų3452.3 Ų52.335%0.35133%0.327SS..THydrogen-bonded Turntrans78.225.5177.400000114.5S340 W370 D374S340-G372 WeakPolarHBondContact CB-O 3.44Å; W370-G372 PolarHBondContact O-N 3.25Å; G372-D374 PolarHBondContact O-N 3.47Å
373I92.4Very high92.7Very high9 Ų951.5 Ų51.55%0.04632%0.324CS..  trans-68-16167.5-160.6165.7000112.4S340 I368 Y369 W370 E375S340-I373 WeakPolarHBondContact CB-O 3.27Å; I368-I373 HydrophobicContact CD1-CD1 3.53Å; Y369-I373 HydrophobicContact CD2-CG2 3.69Å; Y369-I373 HydrophobicContact CE2-CG2 3.39Å; Y369-I373 HydrophobicContact CG-CG2 4.38Å; W370-I373 HydrophobicContact CD2-CD1 4.21Å; W370-I373 HydrophobicContact CG-CB 4.38Å; W370-I373 HydrophobicContact CH2-CD1 4.34Å; W370-I373 HydrophobicContact CZ2-CD1 3.96Å; W370-I373 HydrophobicContact CZ2-CG1 4.05Å; W370-I373 PolarHBondContact O-N 2.97Å; I373-E375 PolarHBondContact O-N 3.14Å
374D82.2Confident92.7Very high102 Ų10252.7 Ų52.755%0.54533%0.331SS..  trans54.929.4175.6-57.5-32.2000114.9S340 G372S340-D374 WeakPolarHBondContact CB-OD2 3.4Å; S340-D374 PolarHBondContact OG-OD2 2.51Å; G372-D374 PolarHBondContact O-N 3.47Å
375E83.4Confident92.7Very high90 Ų9049.5 Ų49.542%0.42131%0.309SS..  trans-122.6129.9173.4-69.2-176-175.400110.2V341 I373V341-E375 WeakPolarHBondContact CG2-OE1 3.27Å; I373-E375 PolarHBondContact O-N 3.14Å
376P84.1Confident92.8Very high123 Ų12347.3 Ų47.380%0.79930%0.296SS*.PPolyproline II helixtrans-67.2136.9178.127.7-32.8000110.5
377L85.6Confident92.8Very high59 Ų5950 Ų5031%0.30931%0.306SS..PPolyproline II helixtrans-63.3130.3171.5-70.2167.4000109.7T363 Y369 L383T363-L377 HydrophobicContact CG2-CD2 4Å; Y369-L377 HydrophobicContact CD2-CD2 3.51Å; Y369-L377 HydrophobicContact CD2-CG 4.18Å; Y369-L377 HydrophobicContact CE2-CD1 4.37Å; Y369-L377 HydrophobicContact CE2-CD2 3.6Å; Y369-L377 HydrophobicContact CE2-CG 3.74Å; Y369-L377 HydrophobicContact CG-CD2 4.21Å; L377-L383 HydrophobicContact CD1-CD1 3.58Å; L377-L383 HydrophobicContact CD1-CG 4Å; L377-L383 HydrophobicContact CD2-CD1 4.36Å; L377-L383 HydrophobicContact CD2-CD2 4.12Å; L377-L383 HydrophobicContact CD2-CG 4.3Å
378P85.1Confident92.8Very high70 Ų7055 Ų5546%0.45533%0.332SS..PPolyproline II helixtrans-58.9151.3173.8-21.632000111.9G380 V381P378-G380 PolarHBondContact O-N 3.43Å; P378-V381 HydrophobicContact CB-CG2 3.83Å; P378-V381 HydrophobicContact CG-CG2 4.15Å; P378-V381 WeakPolarHBondContact O-CB 3.32Å; P378-V381 PolarHBondContact O-N 3.24Å; P378-V381 VanDerWaalsContact O-N 3.16Å
379S89.1Confident92.7Very high133 Ų13361.2 Ų61.293%0.9336%0.359SS*.THydrogen-bonded Turntrans-58.7131.5179.2-168.50000111.2V381S379-V381 VanDerWaalsContact C-N 3.3Å; S379-V381 PolarHBondContact O-N 2.84Å
380G89.9Confident92.7Very high71 Ų7165.4 Ų65.473%0.73239%0.385SS*.THydrogen-bonded Turntrans82.4-5.4-179.900000115.5P378P378-G380 PolarHBondContact O-N 3.43Å
381V94.9Very high92.7Very high29 Ų2967 Ų6718%0.17639%0.391CS..  trans-80.1126.6173.9176.90000109.8T363 S364 P378 S379T363-V381 HydrophobicContact CG2-CG1 4.07Å; S364-V381 WeakPolarHBondContact OG-CA 3.49Å; P378-V381 HydrophobicContact CB-CG2 3.83Å; P378-V381 HydrophobicContact CG-CG2 4.15Å; P378-V381 WeakPolarHBondContact O-CB 3.32Å; P378-V381 PolarHBondContact O-N 3.24Å; P378-V381 VanDerWaalsContact O-N 3.16Å; S379-V381 VanDerWaalsContact C-N 3.3Å; S379-V381 PolarHBondContact O-N 2.84Å
382T96Very high92.5Very high86 Ų8667.2 Ų67.253%0.52840%0.397SS..  trans-103.6160.8176.562.20000111.3T363 S364T363-T382 WeakPolarHBondContact CA-O 3.12Å; S364-T382 WeakPolarHBondContact CB-OG1 3.35Å; S364-T382 PolarHBondContact N-O 2.97Å; S364-T382 PolarHBondContact OG-N 3.48Å
383L96.9Very high92.1Very high4 Ų470.3 Ų70.32%0.02141%0.411CS..EExtended strand (participates in β ladder)trans-112.3140.4178.8-72.5174.9000112.6E362 T363 Y369 L377 N390 W391E362-L383 CarbonylContact O-C 3.59Å; E362-L383 WeakPolarHBondContact O-CA 3.34Å; E362-L383 WeakPolarHBondContact O-CD2 3.27Å; T363-L383 HydrophobicContact CG2-CD2 3.42Å; T363-L383 VanDerWaalsContact CG2-CD2 3.42Å; Y369-L383 HydrophobicContact CD1-CD1 3.65Å; Y369-L383 HydrophobicContact CD1-CD2 4.28Å; Y369-L383 HydrophobicContact CE1-CD1 4.04Å; Y369-L383 HydrophobicContact CG-CD1 4.07Å; Y369-L383 HydrophobicContact CG-CD2 3.93Å; L377-L383 HydrophobicContact CD1-CD1 3.58Å; L377-L383 HydrophobicContact CD1-CG 4Å; L377-L383 HydrophobicContact CD2-CD1 4.36Å; L377-L383 HydrophobicContact CD2-CD2 4.12Å; L377-L383 HydrophobicContact CD2-CG 4.3Å; L383-N390 WeakPolarHBondContact O-CA 3.3Å; L383-W391 HydrophobicContact CB-CB 4.29Å; L383-W391 HydrophobicContact CB-CE3 4.1Å; L383-W391 HydrophobicContact CD1-CE3 3.4Å; L383-W391 VanDerWaalsContact CD1-CE3 3.4Å; L383-W391 HydrophobicContact CD1-CZ3 3.51Å; L383-W391 HydrophobicContact CG-CE3 4.39Å; L383-W391 PolarHBondContact O-N 3.41Å
384T98.1Very high91.8Very high32 Ų3277 Ų7720%0.19645%0.446CS..EExtended strand (participates in β ladder)trans-109.2116.6163-57.80000108A361 E362 K389A361-T384 CarbonylContact C-O 3.49Å; A361-T384 VanDerWaalsContact CA-O 3.32Å; A361-T384 WeakPolarHBondContact CA-O 3.37Å; A361-T384 WeakPolarHBondContact CB-O 3.41Å; E362-T384 PolarHBondContact N-O 3.01Å; E362-T384 PolarHBondContact O-N 2.8Å; T384-K389 CarbonylContact C-O 3.48Å; T384-K389 WeakPolarHBondContact CA-O 3.44Å
385S98.1Very high92.1Very high7 Ų776.3 Ų76.35%0.04944%0.443CS..  trans-63164.2177.960.90000112.6K387 N388 K389 C399S385-K387 PolarHBondContact O-N 2.83Å; S385-N388 WeakPolarHBondContact O-CA 3.41Å; S385-N388 PolarHBondContact O-N 3.41Å; S385-K389 PolarHBondContact N-O 3.47Å; S385-K389 PolarHBondContact OG-N 3.35Å; S385-K389 PolarHBondContact OG-O 2.73Å; S385-C399 CarbonylContact C-O 3.57Å; S385-C399 VanDerWaalsContact CA-O 3.31Å; S385-C399 WeakPolarHBondContact CA-O 3.3Å
386W98.3Very high92.3Very high19 Ų1975.6 Ų75.67%0.07246%0.46CS..THydrogen-bonded Turntrans-58.5-17.8174.176.9-83.4000114.7L79 P82 V85 N359 N388 C399 A400 H401L79-W386 HydrophobicContact CD2-CB 4.22Å; P82-W386 HydrophobicContact CB-CH2 3.91Å; P82-W386 HydrophobicContact CB-CZ3 4.16Å; P82-W386 HydrophobicContact CG-CH2 4.29Å; P82-W386 HydrophobicContact CG-CZ3 4.22Å; V85-W386 HydrophobicContact CG1-CH2 4.18Å; V85-W386 HydrophobicContact CG1-CZ3 3.87Å; N359-W386 HydrophobicContact CB-CB 4.26Å; N359-W386 HydrophobicContact CB-CE3 4.09Å; N359-W386 WeakPolarHBondContact O-CB 3.47Å; W386-N388 PolarHBondContact O-N 2.9Å; W386-C399 VanDerWaalsContact CD1-O 3.3Å; W386-C399 PolarHBondContact N-O 2.81Å; W386-A400 VanDerWaalsContact CD1-C 3.4Å; W386-H401 VanDerWaalsContact CD1-N 3.35Å; W386-H401 HydrophobicContact CD2-CB 3.88Å; W386-H401 HydrophobicContact CE3-CB 4.17Å; W386-H401 HydrophobicContact CG-CB 4.23Å; W386-H401 AromaticContact CH2-CD2 3.66Å; W386-H401 HydrophobicContact CZ2-CB 4.32Å; W386-H401 AromaticContact CZ2-CD2 3.63Å
387K97.3Very high92.7Very high62 Ų6274.7 Ų74.727%0.2745%0.445SS..THydrogen-bonded Turntrans-84.710.7172.2-64.2-177.6-179.3171.90112.8S385 K389 E397S385-K387 PolarHBondContact O-N 2.83Å; K387-K389 PolarHBondContact O-N 3.28Å; K387-E397 VanDerWaalsContact NZ-CD 3.3Å; K387-E397 IonicContact NZ-OE1 3.81Å; K387-E397 PolarHBondContact NZ-OE1 2.87Å; K387-E397 IonicContact NZ-OE2 3.74Å; K387-E397 PolarHBondContact NZ-OE2 2.86Å
388N96.8Very high93.1Very high103 Ų10374.8 Ų74.855%0.55145%0.449SS*.SBendtrans56.344.4-175.8-162.226.5000113.2L79 S385 W386L79-N388 HydrophobicContact CD1-CB 4.04Å; S385-N388 WeakPolarHBondContact O-CA 3.41Å; S385-N388 PolarHBondContact O-N 3.41Å; W386-N388 PolarHBondContact O-N 2.9Å
389K96.5Very high93.7Very high139 Ų13971.4 Ų71.460%0.60443%0.427SS*.SBendtrans-128.8143.8177.5-62.3-178.3-177.6-177.80110.4T384 S385 K387 W391T384-K389 CarbonylContact C-O 3.48Å; T384-K389 WeakPolarHBondContact CA-O 3.44Å; S385-K389 PolarHBondContact N-O 3.47Å; S385-K389 PolarHBondContact OG-N 3.35Å; S385-K389 PolarHBondContact OG-O 2.73Å; K387-K389 PolarHBondContact O-N 3.28Å; K389-W391 PolarHBondContact O-N 2.95Å
390N96.8Very high94.1Very high138 Ų13865.1 Ų65.174%0.73838%0.383SS*.EExtended strand (participates in β ladder)trans-50.7137168.8-70.8-11.8000110.1L383L383-N390 WeakPolarHBondContact O-CA 3.3Å
391W96.4Very high94.5Very high35 Ų3563 Ų6313%0.13335%0.354CS..EExtended strand (participates in β ladder)trans-135.6139.2-173-173.693.9000111.8L383 K389 P393 N395 E397 C399L383-W391 HydrophobicContact CB-CB 4.29Å; L383-W391 HydrophobicContact CB-CE3 4.1Å; L383-W391 HydrophobicContact CD1-CE3 3.4Å; L383-W391 VanDerWaalsContact CD1-CE3 3.4Å; L383-W391 HydrophobicContact CD1-CZ3 3.51Å; L383-W391 HydrophobicContact CG-CE3 4.39Å; L383-W391 PolarHBondContact O-N 3.41Å; K389-W391 PolarHBondContact O-N 2.95Å; W391-P393 HydrophobicContact CH2-CB 4.23Å; W391-P393 HydrophobicContact CH2-CG 4.02Å; W391-P393 HydrophobicContact CZ3-CG 3.95Å; W391-N395 VanDerWaalsContact CA-OD1 3.32Å; W391-N395 WeakPolarHBondContact CA-OD1 3.37Å; W391-E397 PolarHBondContact NE1-O 3.04Å; W391-C399 HydrophobicContact CD2-CB 3.52Å; W391-C399 HydrophobicContact CE3-CB 3.86Å; W391-C399 HydrophobicContact CG-CB 3.94Å; W391-C399 HydrophobicContact CH2-CB 4.16Å; W391-C399 HydrophobicContact CZ2-CB 3.87Å; W391-C399 HydrophobicContact CZ3-CB 4.16Å
392T90.9Very high94.5Very high66 Ų6664.8 Ų64.841%0.40537%0.366SS..  trans-131.5159.5167.670.20000109.4D394 N395T392-D394 PolarHBondContact O-N 2.84Å; T392-D394 PolarHBondContact OG1-N 3.49Å; T392-N395 PolarHBondContact N-OD1 3.27Å; T392-N395 WeakPolarHBondContact O-CB 3.42Å; T392-N395 PolarHBondContact O-N 3.28Å; T392-N395 PolarHBondContact O-OD1 3.27Å
393P84.6Confident94.4Very high99 Ų9960.9 Ų60.964%0.64334%0.342SS*.G310 helixtrans-53.5-23.3175.2-28.636.8000114.7W391 N395W391-P393 HydrophobicContact CH2-CB 4.23Å; W391-P393 HydrophobicContact CH2-CG 4.02Å; W391-P393 HydrophobicContact CZ3-CG 3.95Å; P393-N395 VanDerWaalsContact C-N 3.31Å; P393-N395 PolarHBondContact O-N 3.01Å
394D87.4Confident94.5Very high149 Ų14960.7 Ų60.780%0.79734%0.341SS*.G310 helixtrans-77.9-10.2-178.7-55.7-38.8000113.8T392 G396T392-D394 PolarHBondContact O-N 2.84Å; T392-D394 PolarHBondContact OG1-N 3.49Å; D394-G396 PolarHBondContact O-N 3.06Å
395N88.2Confident94.5Very high88 Ų8860.6 Ų60.647%0.47134%0.337SS..G310 helixtrans-71.4-11.9-175.8-70.2134.2000114.8W391 T392 P393 E397W391-N395 VanDerWaalsContact CA-OD1 3.32Å; W391-N395 WeakPolarHBondContact CA-OD1 3.37Å; T392-N395 PolarHBondContact N-OD1 3.27Å; T392-N395 WeakPolarHBondContact O-CB 3.42Å; T392-N395 PolarHBondContact O-N 3.28Å; T392-N395 PolarHBondContact O-OD1 3.27Å; P393-N395 VanDerWaalsContact C-N 3.31Å; P393-N395 PolarHBondContact O-N 3.01Å; N395-E397 PolarHBondContact O-N 2.82Å; N395-E397 VanDerWaalsContact O-N 3.13Å
396G87.1Confident94.5Very high76 Ų7660.3 Ų60.378%0.78434%0.335SS*.SBendtrans71.80.7175.200000115.9D394D394-G396 PolarHBondContact O-N 3.06Å
397E92.6Very high94.5Very high104 Ų10459.4 Ų59.449%0.48633%0.332SS..SBendtrans-117.1150.3170.6-65.5-167.4151.400110.6K387 W391 N395K387-E397 VanDerWaalsContact NZ-CD 3.3Å; K387-E397 IonicContact NZ-OE1 3.81Å; K387-E397 PolarHBondContact NZ-OE1 2.87Å; K387-E397 IonicContact NZ-OE2 3.74Å; K387-E397 PolarHBondContact NZ-OE2 2.86Å; W391-E397 PolarHBondContact NE1-O 3.04Å; N395-E397 PolarHBondContact O-N 2.82Å; N395-E397 VanDerWaalsContact O-N 3.13Å
398P95.3Very high94.6Very high60 Ų6056.5 Ų56.539%0.3932%0.319SS..  trans-58.6140.5172.2-26.636.6000113.6E371 A400E371-P398 HydrophobicContact CG-CB 4.29Å; E371-P398 WeakPolarHBondContact OE1-CA 3.22Å; E371-P398 WeakPolarHBondContact OE1-CB 3.37Å; P398-A400 VanDerWaalsContact CB-O 3.26Å; P398-A400 WeakPolarHBondContact CB-O 3.34Å
399C96.9Very high94.7Very high0 Ų052.6 Ų52.60%030%0.3CS..SBendtrans-70.5-30.8174.269.60000112.4A361 E371 S385 W386 W391A361-C399 HydrophobicContact CB-CB 3.8Å; A361-C399 WeakPolarHBondContact CB-O 3.18Å; E371-C399 PolarHBondContact OE1-N 3.27Å; E371-C399 PolarHBondContact OE1-SG 3.48Å; S385-C399 CarbonylContact C-O 3.57Å; S385-C399 VanDerWaalsContact CA-O 3.31Å; S385-C399 WeakPolarHBondContact CA-O 3.3Å; W386-C399 VanDerWaalsContact CD1-O 3.3Å; W386-C399 PolarHBondContact N-O 2.81Å; W391-C399 HydrophobicContact CD2-CB 3.52Å; W391-C399 HydrophobicContact CE3-CB 3.86Å; W391-C399 HydrophobicContact CG-CB 3.94Å; W391-C399 HydrophobicContact CH2-CB 4.16Å; W391-C399 HydrophobicContact CZ2-CB 3.87Å; W391-C399 HydrophobicContact CZ3-CB 4.16Å
400A98Very high94.8Very high0 Ų046 Ų460%027%0.271CS..SBendtrans-114152.2174.300000110.5V360 W370 E371 W386 P398V360-A400 HydrophobicContact CB-CB 4.49Å; W370-A400 HydrophobicContact CB-CB 3.6Å; E371-A400 PolarHBondContact OE2-N 3.26Å; W386-A400 VanDerWaalsContact CD1-C 3.4Å; P398-A400 VanDerWaalsContact CB-O 3.26Å; P398-A400 WeakPolarHBondContact CB-O 3.34Å
401H97.4Very high94.9Very high27 Ų2743.2 Ų43.213%0.12526%0.262CS..  trans-64.4138.7172.5-174.4-99.4000109.3V85 P337 N359 W386 N403 S404V85-H401 WeakPolarHBondContact CG2-NE2 3.47Å; P337-H401 WeakPolarHBondContact CG-O 3.43Å; N359-H401 HydrophobicContact CB-CB 3.72Å; N359-H401 PolarHBondContact O-N 3.46Å; W386-H401 VanDerWaalsContact CD1-N 3.35Å; W386-H401 HydrophobicContact CD2-CB 3.88Å; W386-H401 HydrophobicContact CE3-CB 4.17Å; W386-H401 HydrophobicContact CG-CB 4.23Å; W386-H401 AromaticContact CH2-CD2 3.66Å; W386-H401 HydrophobicContact CZ2-CB 4.32Å; W386-H401 AromaticContact CZ2-CD2 3.63Å; H401-N403 PolarHBondContact ND1-N 3.43Å; H401-N403 VanDerWaalsContact ND1-N 3.15Å; H401-N403 PolarHBondContact O-N 3.1Å; H401-S404 WeakPolarHBondContact O-CB 3.16Å; H401-S404 PolarHBondContact O-N 2.94Å; H401-S404 PolarHBondContact O-OG 2.83Å
402P94.9Very high95Very high67 Ų6743 Ų4344%0.43526%0.262SS..THydrogen-bonded Turntrans-58.9-20-179-28.836.6000115.3A466P402-A466 HydrophobicContact CB-CB 3.79Å
403N94.9Very high95.4Very high3 Ų340 Ų402%0.01624%0.244CC..THydrogen-bonded Turntrans-115.323174.8-179.760.2000112.2V85 Y235 H401 R405 A466V85-N403 PolarHBondContact O-ND2 3.45Å; Y235-N403 PolarHBondContact OH-ND2 2.79Å; H401-N403 PolarHBondContact ND1-N 3.43Å; H401-N403 VanDerWaalsContact ND1-N 3.15Å; H401-N403 PolarHBondContact O-N 3.1Å; N403-R405 WeakPolarHBondContact O-CG 3.42Å; N403-R405 PolarHBondContact OD1-NE 3Å; N403-R405 PolarHBondContact OD1-NH2 3.22Å; N403-A466 HydrophobicContact CB-CB 4.44Å; N403-A466 VanDerWaalsContact CB-O 3.23Å; N403-A466 WeakPolarHBondContact CB-O 3.41Å
404S97.7Very high96.1Very high1 Ų138.8 Ų38.81%0.00724%0.236CC..  trans-59.3152.1169.8550000111.2A336 P337 T358 N359 H401A336-S404 PolarHBondContact N-O 2.94Å; P337-S404 VanDerWaalsContact CD-OG 3.22Å; P337-S404 WeakPolarHBondContact CD-OG 3.31Å; P337-S404 WeakPolarHBondContact CG-OG 3.44Å; T358-S404 VanDerWaalsContact O-CA 3.29Å; T358-S404 WeakPolarHBondContact O-CA 3.34Å; T358-S404 WeakPolarHBondContact O-CB 3.2Å; N359-S404 VanDerWaalsContact C-CB 3.43Å; N359-S404 WeakPolarHBondContact O-CB 3.16Å; H401-S404 WeakPolarHBondContact O-CB 3.16Å; H401-S404 PolarHBondContact O-N 2.94Å; H401-S404 PolarHBondContact O-OG 2.83Å
405R98.3Very high96.6Very high29 Ų2933.1 Ų33.111%0.10921%0.206CC..EExtended strand (participates in β ladder)trans-131.6151.2-166-62-69.7178.3155.2-6.6111.7F333 G334 F357 T358 N403F333-R405 HydrophobicContact CD1-CG 4.16Å; F333-R405 HydrophobicContact CD2-CB 4.31Å; F333-R405 HydrophobicContact CE1-CB 4.14Å; F333-R405 HydrophobicContact CE1-CG 3.59Å; F333-R405 HydrophobicContact CE2-CB 3.81Å; F333-R405 HydrophobicContact CE2-CG 4.2Å; F333-R405 HydrophobicContact CZ-CB 3.72Å; F333-R405 HydrophobicContact CZ-CG 3.61Å; F333-R405 PolarHBondContact O-NH1 2.86Å; G334-R405 WeakPolarHBondContact O-CA 3.32Å; G334-R405 WeakPolarHBondContact O-CD 3.27Å; F357-R405 WeakPolarHBondContact CA-O 3.44Å; T358-R405 PolarHBondContact N-O 2.97Å; T358-R405 PolarHBondContact O-N 2.99Å; N403-R405 WeakPolarHBondContact O-CG 3.42Å; N403-R405 PolarHBondContact OD1-NE 3Å; N403-R405 PolarHBondContact OD1-NH2 3.22Å
406F98.6Very high97.1Very high2 Ų230.6 Ų30.61%0.00919%0.192CC..EExtended strand (participates in β ladder)trans-107.4141.5154.654.7-100.5000108.8F332 F333 G334 A336 A347 I351 T355 I356 F357 T408F332-F406 HydrophobicContact CB-CE2 4.44Å; F333-F406 CarbonylContact C-O 3.56Å; F333-F406 WeakPolarHBondContact CA-O 3.23Å; G334-F406 PolarHBondContact N-O 2.82Å; G334-F406 PolarHBondContact O-N 3.19Å; G334-F406 VanDerWaalsContact O-N 3.07Å; A336-F406 HydrophobicContact CB-CD1 4.11Å; A347-F406 HydrophobicContact CB-CZ 4.33Å; I351-F406 HydrophobicContact CG2-CB 4.05Å; I351-F406 HydrophobicContact CG2-CD1 4.12Å; I351-F406 HydrophobicContact CG2-CD2 3.51Å; I351-F406 HydrophobicContact CG2-CE1 4.46Å; I351-F406 HydrophobicContact CG2-CE2 3.9Å; I351-F406 HydrophobicContact CG2-CG 3.63Å; I351-F406 HydrophobicContact CG2-CZ 4.35Å; T355-F406 HydrophobicContact CG2-CB 4.02Å; I356-F406 CarbonylContact O-C 3.44Å; F357-F406 HydrophobicContact CD1-CB 3.84Å; F357-F406 HydrophobicContact CE1-CB 3.79Å; F406-T408 HydrophobicContact CD2-CG2 3.94Å; F406-T408 HydrophobicContact CE2-CG2 4.24Å
407C98.8Very high97.7Very high0 Ų027 Ų270%016%0.155CC..EExtended strand (participates in β ladder)trans-117104.7173.8-171.70000107F332 F333 T355 I356F332-C407 WeakPolarHBondContact O-CA 3.33Å; F333-C407 HydrophobicContact CD2-CB 3.83Å; F333-C407 HydrophobicContact CE2-CB 4.13Å; T355-C407 WeakPolarHBondContact CA-O 3.03Å; I356-C407 HydrophobicContact CB-CB 4.29Å; I356-C407 PolarHBondContact N-O 3.05Å; I356-C407 WeakPolarHBondContact O-CB 3.49Å; I356-C407 PolarHBondContact O-N 2.87Å
408T98.9Very high98Very high0 Ų027.2 Ų27.20%017%0.165CC..EExtended strand (participates in β ladder)trans-133.8142.2-169.6-165.40000112G331 F332 T350 I351 T355 F406 Q412G331-T408 CarbonylContact C-O 3.51Å; G331-T408 WeakPolarHBondContact CA-O 3.37Å; F332-T408 HydrophobicContact CB-CG2 4.06Å; F332-T408 HydrophobicContact CD2-CG2 4Å; F332-T408 PolarHBondContact N-O 3.37Å; F332-T408 PolarHBondContact O-N 3.03Å; T350-T408 HydrophobicContact CG2-CG2 3.72Å; T350-T408 PolarHBondContact O-OG1 2.79Å; I351-T408 HydrophobicContact CG2-CG2 4.09Å; T355-T408 VanDerWaalsContact OG1-CB 3.32Å; T355-T408 WeakPolarHBondContact OG1-CB 3.42Å; T355-T408 PolarHBondContact OG1-OG1 3.42Å; F406-T408 HydrophobicContact CD2-CG2 3.94Å; F406-T408 HydrophobicContact CE2-CG2 4.24Å; T408-Q412 PolarHBondContact OG1-NE2 3.29Å
409P98.8Very high98.1Very high22 Ų2225.7 Ų25.714%0.14316%0.158CC..EExtended strand (participates in β ladder)trans-65.7135.8179.8-17.626.7000112.7I172 N354 S411 Q412I172-P409 HydrophobicContact CG1-CG 4.48Å; I172-P409 HydrophobicContact CG2-CG 4.17Å; N354-P409 HydrophobicContact CB-CG 4.4Å; N354-P409 WeakPolarHBondContact O-CD 3.22Å; P409-S411 VanDerWaalsContact C-N 3.31Å; P409-S411 PolarHBondContact O-N 2.9Å; P409-Q412 HydrophobicContact CB-CG 4.1Å; P409-Q412 HydrophobicContact CG-CG 4.39Å; P409-Q412 PolarHBondContact O-N 3.4Å
410A98.8Very high98.2Very high0 Ų027.4 Ų27.40%016%0.164CC..G310 helixtrans-66.1-35.7-174.800000112.1N330 F332 Q412 C413 I416 W420N330-A410 WeakPolarHBondContact O-CB 3.45Å; N330-A410 PolarHBondContact O-N 3.21Å; F332-A410 HydrophobicContact CE1-CB 4.16Å; F332-A410 HydrophobicContact CE2-CB 3.9Å; F332-A410 HydrophobicContact CZ-CB 3.71Å; A410-Q412 PolarHBondContact O-N 2.8Å; A410-C413 VanDerWaalsContact O-CB 3.3Å; A410-C413 WeakPolarHBondContact O-CB 3.17Å; A410-C413 PolarHBondContact O-N 2.86Å; A410-I416 HydrophobicContact CB-CD1 4.12Å; A410-I416 WeakPolarHBondContact O-CD1 3.36Å; A410-W420 HydrophobicContact CB-CE3 4.19Å; A410-W420 HydrophobicContact CB-CH2 4.19Å; A410-W420 HydrophobicContact CB-CZ3 3.75Å
411S98.6Very high98.2Very high79 Ų7930.6 Ų30.655%0.55218%0.181SC*.G310 helixtrans-58.4-16177.559.40000114.5P409P409-S411 VanDerWaalsContact C-N 3.31Å; P409-S411 PolarHBondContact O-N 2.9Å
412Q98.6Very high98.2Very high30 Ų3031 Ų3114%0.1419%0.188CC..G310 helixtrans-85.3-12.3176.4-55.7-170.9145.900113.5T350 K353 N354 T408 P409 A410T350-Q412 HydrophobicContact CG2-CB 4Å; T350-Q412 PolarHBondContact O-NE2 2.88Å; K353-Q412 PolarHBondContact O-NE2 2.84Å; N354-Q412 PolarHBondContact ND2-OE1 2.79Å; T408-Q412 PolarHBondContact OG1-NE2 3.29Å; P409-Q412 HydrophobicContact CB-CG 4.1Å; P409-Q412 HydrophobicContact CG-CG 4.39Å; P409-Q412 PolarHBondContact O-N 3.4Å; A410-Q412 PolarHBondContact O-N 2.8Å
413C98.8Very high98.4Very high4 Ų430.4 Ų30.43%0.02718%0.184CC..  trans-64.9126-179.8171.70000110M295 F332 T350 A410 I415 I416M295-C413 HydrophobicContact CE-CB 3.81Å; M295-C413 WeakPolarHBondContact CE-SG 3.43Å; F332-C413 HydrophobicContact CE2-CB 3.81Å; F332-C413 HydrophobicContact CZ-CB 4.34Å; T350-C413 HydrophobicContact CG2-CB 4.33Å; T350-C413 WeakPolarHBondContact OG1-CA 3.32Å; A410-C413 VanDerWaalsContact O-CB 3.3Å; A410-C413 WeakPolarHBondContact O-CB 3.17Å; A410-C413 PolarHBondContact O-N 2.86Å; C413-I415 PolarHBondContact O-N 3.21Å; C413-I415 VanDerWaalsContact SG-CG1 3.53Å; C413-I415 PolarHBondContact SG-N 3.45Å; C413-I416 HydrophobicContact CB-CB 4.15Å; C413-I416 WeakPolarHBondContact O-CB 3.44Å; C413-I416 WeakPolarHBondContact O-CG2 3.31Å; C413-I416 PolarHBondContact O-N 2.88Å
414P98.8Very high98.5Very high73 Ų7336.2 Ų36.247%0.47421%0.211SC..THydrogen-bonded Turntrans-67-11.5-175.728.5-37000113.5N346 K349 T350N346-P414 HydrophobicContact CB-CG 4.18Å; K349-P414 HydrophobicContact CB-CG 4.16Å; K349-P414 HydrophobicContact CD-CG 4.12Å; T350-P414 WeakPolarHBondContact OG1-CD 3.44Å
415I98.8Very high98.5Very high31 Ų3136.4 Ų36.416%0.15921%0.213CC..THydrogen-bonded Turntrans-124.226.617762160.2000111.3M295 E306 C307 N346 C413 D417M295-I415 HydrophobicContact CB-CD1 4.34Å; E306-I415 CarbonylContact C-O 3.52Å; E306-I415 WeakPolarHBondContact CA-O 3.48Å; C307-I415 PolarHBondContact N-O 3.16Å; N346-I415 HydrophobicContact CB-CD1 4.31Å; N346-I415 HydrophobicContact CB-CG1 4.24Å; N346-I415 VanDerWaalsContact ND2-CD1 3.27Å; N346-I415 WeakPolarHBondContact ND2-CD1 3.46Å; C413-I415 PolarHBondContact O-N 3.21Å; C413-I415 VanDerWaalsContact SG-CG1 3.53Å; C413-I415 PolarHBondContact SG-N 3.45Å; I415-D417 PolarHBondContact O-N 2.73Å
416I98.9Very high98.5Very high34 Ų3435.2 Ų35.217%0.17421%0.208CC..BIsolated β-bridgetrans-58.1132.9172-163.672.2000109.1C307 F332 A410 C413 W420C307-I416 VanDerWaalsContact O-CD1 3.3Å; C307-I416 WeakPolarHBondContact O-CD1 3.33Å; F332-I416 HydrophobicContact CZ-CD1 4.17Å; A410-I416 HydrophobicContact CB-CD1 4.12Å; A410-I416 WeakPolarHBondContact O-CD1 3.36Å; C413-I416 HydrophobicContact CB-CB 4.15Å; C413-I416 WeakPolarHBondContact O-CB 3.44Å; C413-I416 WeakPolarHBondContact O-CG2 3.31Å; C413-I416 PolarHBondContact O-N 2.88Å; I416-W420 HydrophobicContact CD1-CB 4.03Å; I416-W420 HydrophobicContact CD1-CD2 3.92Å; I416-W420 HydrophobicContact CD1-CE3 4.21Å; I416-W420 HydrophobicContact CD1-CG 3.84Å; I416-W420 HydrophobicContact CG1-CB 3.93Å; I416-W420 HydrophobicContact CG1-CD2 3.77Å; I416-W420 HydrophobicContact CG1-CG 3.44Å; I416-W420 VanDerWaalsContact CG1-CG 3.44Å
417D98.9Very high98.5Very high1 Ų137 Ų371%0.00522%0.22CC..  trans-66.7136.1-179.2-168.2-82.3000110.1K277 Y279 E306 C307 V308 I415 A419 W420K277-D417 VanDerWaalsContact CE-OD2 3.24Å; K277-D417 WeakPolarHBondContact CE-OD2 3.29Å; K277-D417 IonicContact NZ-OD1 3.09Å; K277-D417 IonicContact NZ-OD2 3.66Å; K277-D417 PolarHBondContact NZ-OD2 3.04Å; Y279-D417 WeakPolarHBondContact CE1-OD2 3.47Å; Y279-D417 PolarHBondContact OH-OD1 3.12Å; Y279-D417 PolarHBondContact OH-OD2 3.03Å; E306-D417 HydrophobicContact CB-CB 3.94Å; E306-D417 WeakPolarHBondContact CB-OD2 3.47Å; C307-D417 WeakPolarHBondContact O-CB 3.4Å; C307-D417 PolarHBondContact O-N 3.35Å; V308-D417 HydrophobicContact CG2-CB 3.54Å; I415-D417 PolarHBondContact O-N 2.73Å; D417-A419 PolarHBondContact O-N 3.32Å; D417-A419 WeakPolarHBondContact OD1-CA 3.25Å; D417-A419 WeakPolarHBondContact OD1-CB 3.48Å; D417-A419 PolarHBondContact OD1-N 2.97Å; D417-W420 HydrophobicContact CB-CB 4.33Å; D417-W420 VanDerWaalsContact O-CB 3.26Å; D417-W420 WeakPolarHBondContact O-CB 3.46Å; D417-W420 PolarHBondContact O-N 3.31Å
418P98.6Very high98.6Very high109 Ų10937.3 Ų37.371%0.70822%0.222SC*.THydrogen-bonded Turntrans-57.3-24.8178-2734.9000114.6E306E306-P418 WeakPolarHBondContact OE1-CD 3.47Å
419A98.6Very high98.6Very high28 Ų2840 Ų4023%0.23124%0.235CC..THydrogen-bonded Turntrans-98.911.9178.200000113.5D417 D421 S422 V426D417-A419 PolarHBondContact O-N 3.32Å; D417-A419 WeakPolarHBondContact OD1-CA 3.25Å; D417-A419 WeakPolarHBondContact OD1-CB 3.48Å; D417-A419 PolarHBondContact OD1-N 2.97Å; A419-D421 PolarHBondContact O-N 3.27Å; A419-S422 VanDerWaalsContact O-CB 3.24Å; A419-S422 WeakPolarHBondContact O-CB 3.46Å; A419-S422 PolarHBondContact O-N 3.13Å; A419-V426 HydrophobicContact CB-CG1 3.86Å
420W98.8Very high98.6Very high36 Ų3639 Ų3914%0.13623%0.228CC..THydrogen-bonded Turntrans-58.3-32.8-176.978.9-74.5000113.8N330 A410 I416 D417N330-W420 WeakPolarHBondContact OD1-CH2 3.2Å; A410-W420 HydrophobicContact CB-CE3 4.19Å; A410-W420 HydrophobicContact CB-CH2 4.19Å; A410-W420 HydrophobicContact CB-CZ3 3.75Å; I416-W420 HydrophobicContact CD1-CB 4.03Å; I416-W420 HydrophobicContact CD1-CD2 3.92Å; I416-W420 HydrophobicContact CD1-CE3 4.21Å; I416-W420 HydrophobicContact CD1-CG 3.84Å; I416-W420 HydrophobicContact CG1-CB 3.93Å; I416-W420 HydrophobicContact CG1-CD2 3.77Å; I416-W420 HydrophobicContact CG1-CG 3.44Å; I416-W420 VanDerWaalsContact CG1-CG 3.44Å; D417-W420 HydrophobicContact CB-CB 4.33Å; D417-W420 VanDerWaalsContact O-CB 3.26Å; D417-W420 WeakPolarHBondContact O-CB 3.46Å; D417-W420 PolarHBondContact O-N 3.31Å
421D97.8Very high98.6Very high66 Ų6639 Ų3935%0.35323%0.228SC..THydrogen-bonded Turntrans-109.520.9178.5-155.439.2000112P148 R175 A419P148-D421 WeakPolarHBondContact CA-OD1 3.47Å; P148-D421 VanDerWaalsContact CB-O 3.3Å; P148-D421 WeakPolarHBondContact CB-O 3.23Å; P148-D421 WeakPolarHBondContact CB-OD1 3.32Å; P148-D421 WeakPolarHBondContact CG-O 3.36Å; P148-D421 WeakPolarHBondContact CG-OD1 3.15Å; R175-D421 IonicContact CZ-OD1 2.73Å; R175-D421 IonicContact NE-OD1 3.63Å; R175-D421 PolarHBondContact NE-OD1 3.05Å; R175-D421 VanDerWaalsContact NE-OD1 3.09Å; R175-D421 IonicContact NH2-OD1 3.01Å; R175-D421 PolarHBondContact NH2-OD1 3.5Å; A419-D421 PolarHBondContact O-N 3.27Å
422S98.3Very high98.6Very high37 Ų3735.3 Ų35.326%0.25920%0.202SC..  trans-71.3129.5177.1177.90000110.7A419 E424 G425A419-S422 VanDerWaalsContact O-CB 3.24Å; A419-S422 WeakPolarHBondContact O-CB 3.46Å; A419-S422 PolarHBondContact O-N 3.13Å; S422-E424 PolarHBondContact O-N 3.03Å; S422-G425 PolarHBondContact O-N 3.32Å; S422-G425 VanDerWaalsContact O-N 3.15Å
423P97.6Very high98.6Very high54 Ų5433.9 Ų33.935%0.35120%0.195SC..THydrogen-bonded Turntrans-64-29.1-179.124.8-33.5000113.2S151 P152 G425S151-P423 WeakPolarHBondContact CB-O 3.42Å; S151-P423 PolarHBondContact OG-O 3.09Å; P152-P423 WeakPolarHBondContact CD-O 3.18Å; P423-G425 VanDerWaalsContact C-N 3.31Å
424E97.5Very high98.6Very high125 Ų12533.7 Ų33.758%0.58419%0.194SC*.THydrogen-bonded Turntrans-78.5-15.1179.9-57.7-56.615700113.6S422S422-E424 PolarHBondContact O-N 3.03Å
425G98.3Very high98.5Very high5 Ų530.4 Ų30.45%0.05217%0.173CC..  trans66.4177.7-172.100000114.7R324 A325 S422 P423R324-G425 PolarHBondContact NH1-O 2.62Å; A325-G425 CarbonylContact O-C 3.55Å; A325-G425 WeakPolarHBondContact O-CA 3.4Å; S422-G425 PolarHBondContact O-N 3.32Å; S422-G425 VanDerWaalsContact O-N 3.15Å; P423-G425 VanDerWaalsContact C-N 3.31Å
426V98.8Very high98.3Very high3 Ų332.3 Ų32.32%0.01818%0.178CC..EExtended strand (participates in β ladder)trans-106143.2-175.4-60.90000111.4I267 Y279 V308 R324 A325 A419 I428I267-V426 HydrophobicContact CG2-CG2 3.69Å; Y279-V426 HydrophobicContact CD1-CB 3.66Å; Y279-V426 HydrophobicContact CD1-CG1 3.97Å; Y279-V426 HydrophobicContact CD1-CG2 3.6Å; Y279-V426 HydrophobicContact CD2-CB 3.81Å; Y279-V426 HydrophobicContact CD2-CG1 4.44Å; Y279-V426 HydrophobicContact CD2-CG2 4.43Å; Y279-V426 HydrophobicContact CE1-CB 3.78Å; Y279-V426 HydrophobicContact CE1-CG1 3.56Å; Y279-V426 HydrophobicContact CE1-CG2 4.08Å; Y279-V426 HydrophobicContact CE2-CB 3.93Å; Y279-V426 HydrophobicContact CE2-CG1 4.08Å; Y279-V426 HydrophobicContact CG-CB 3.66Å; Y279-V426 HydrophobicContact CG-CG1 4.38Å; Y279-V426 HydrophobicContact CG-CG2 3.78Å; V308-V426 HydrophobicContact CG2-CG1 4.31Å; V308-V426 HydrophobicContact CG2-CG2 4.36Å; R324-V426 CarbonylContact C-O 3.59Å; R324-V426 WeakPolarHBondContact CA-O 3.28Å; A325-V426 HydrophobicContact CB-CG2 4.44Å; A325-V426 PolarHBondContact N-O 3.15Å; A325-V426 PolarHBondContact O-N 3.42Å; A419-V426 HydrophobicContact CB-CG1 3.86Å; V426-I428 HydrophobicContact CG2-CD1 4.29Å; V426-I428 PolarHBondContact O-N 2.81Å
427P98.8Very high98.3Very high40 Ų4031.1 Ų31.126%0.2617%0.172SC..EExtended strand (participates in β ladder)trans-78.6113.9-177.531-33.5000111.5Y279 N322Y279-P427 WeakPolarHBondContact CB-O 3.34Å; Y279-P427 HydrophobicContact CD2-CG 4.38Å; N322-P427 HydrophobicContact CB-CB 4.29Å
428I98.9Very high98.1Very high6 Ų632.2 Ų32.23%0.03118%0.179CC..EExtended strand (participates in β ladder)trans-78124.5179-57.7-56.6000110.8I267 Y279 A281 M315 L323 A325 V426 A430 I431 P509I267-I428 HydrophobicContact CG2-CD1 3.96Å; Y279-I428 WeakPolarHBondContact O-CA 3.27Å; A281-I428 HydrophobicContact CB-CD1 4.25Å; A281-I428 HydrophobicContact CB-CG2 4.13Å; M315-I428 HydrophobicContact SD-CG1 4.36Å; L323-I428 HydrophobicContact CB-CB 4.4Å; L323-I428 HydrophobicContact CD2-CB 4.26Å; L323-I428 HydrophobicContact CD2-CG2 4.44Å; L323-I428 HydrophobicContact CG-CB 4.36Å; L323-I428 PolarHBondContact O-N 3.2Å; A325-I428 HydrophobicContact CB-CD1 3.67Å; A325-I428 HydrophobicContact CB-CG1 3.51Å; V426-I428 HydrophobicContact CG2-CD1 4.29Å; V426-I428 PolarHBondContact O-N 2.81Å; I428-A430 VanDerWaalsContact CG2-O 3.3Å; I428-A430 WeakPolarHBondContact CG2-O 3.35Å; I428-I431 HydrophobicContact CG2-CG1 4.1Å; I428-P509 HydrophobicContact CG2-CB 4.24Å; I428-P509 HydrophobicContact CG2-CG 4.47Å
429E98.9Very high98Very high58 Ų5830.6 Ų30.627%0.27117%0.167SC..EExtended strand (participates in β ladder)trans-110.8-16.8179.2-64.3-170.8-110.300113.2K278 Y279 P509 K510 I544K278-E429 VanDerWaalsContact CG-OE1 3.23Å; K278-E429 WeakPolarHBondContact CG-OE1 3.36Å; K278-E429 VanDerWaalsContact NZ-CD 3.26Å; K278-E429 IonicContact NZ-OE1 2.67Å; K278-E429 PolarHBondContact NZ-OE1 3.26Å; K278-E429 VanDerWaalsContact NZ-OE1 3.09Å; K278-E429 IonicContact NZ-OE2 3.22Å; K278-E429 PolarHBondContact NZ-OE2 2.73Å; Y279-E429 PolarHBondContact O-N 3.09Å; E429-P509 VanDerWaalsContact C-CB 3.44Å; E429-P509 WeakPolarHBondContact O-CA 3.49Å; E429-P509 WeakPolarHBondContact O-CB 3.42Å; E429-K510 PolarHBondContact O-N 3.23Å; E429-I544 HydrophobicContact CB-CD1 4.24Å; E429-I544 HydrophobicContact CB-CG2 4.24Å; E429-I544 WeakPolarHBondContact OE2-CG2 3.41Å
430A98.9Very high97.9Very high0 Ų029.6 Ų29.60%016%0.16CC..EExtended strand (participates in β ladder)trans-142145171.800000112.7F280 A281 I428 K510 F512 I544F280-A430 WeakPolarHBondContact CA-O 3.41Å; F280-A430 HydrophobicContact CB-CB 4.49Å; F280-A430 HydrophobicContact CD1-CB 3.61Å; F280-A430 HydrophobicContact CD2-CB 4.48Å; F280-A430 HydrophobicContact CE1-CB 3.94Å; F280-A430 HydrophobicContact CG-CB 3.96Å; F280-A430 HydrophobicContact CZ-CB 4.47Å; A281-A430 PolarHBondContact N-O 3.3Å; I428-A430 VanDerWaalsContact CG2-O 3.3Å; I428-A430 WeakPolarHBondContact CG2-O 3.35Å; A430-K510 CarbonylContact C-O 3.48Å; A430-K510 VanDerWaalsContact CA-O 3.23Å; A430-K510 WeakPolarHBondContact CA-O 3.26Å; A430-F512 HydrophobicContact CB-CD2 4.07Å; A430-F512 HydrophobicContact CB-CE2 3.84Å; A430-I544 HydrophobicContact CB-CD1 3.82Å
431I98.9Very high97.8Very high0 Ų028 Ų280%015%0.154CC..EExtended strand (participates in β ladder)trans-117.1130.8169.8-65.1174.5000107.9M265 A281 L323 I428 F433 W450 W497 P509 K510 I511 F512M265-I431 HydrophobicContact CE-CG2 3.84Å; M265-I431 HydrophobicContact SD-CG2 4.27Å; A281-I431 HydrophobicContact CB-CG1 4.48Å; A281-I431 CarbonylContact O-C 3.57Å; A281-I431 WeakPolarHBondContact O-CA 3.35Å; L323-I431 HydrophobicContact CD2-CD1 4.23Å; I428-I431 HydrophobicContact CG2-CG1 4.1Å; I431-F433 HydrophobicContact CG2-CE1 4.31Å; I431-F433 HydrophobicContact CG2-CE2 4.12Å; I431-F433 HydrophobicContact CG2-CZ 3.91Å; I431-W450 HydrophobicContact CD1-CH2 4.33Å; I431-W497 HydrophobicContact CD1-CH2 3.98Å; I431-W497 HydrophobicContact CD1-CZ3 3.92Å; I431-P509 HydrophobicContact CD1-CG 3.56Å; I431-P509 HydrophobicContact CG1-CB 4.25Å; I431-P509 HydrophobicContact CG1-CG 3.78Å; I431-K510 PolarHBondContact N-O 2.99Å; I431-I511 HydrophobicContact CB-CG1 4.34Å; I431-I511 CarbonylContact O-C 3.55Å; I431-I511 WeakPolarHBondContact O-CA 3.47Å; I431-F512 PolarHBondContact O-N 3Å
432I98.9Very high97.9Very high1 Ų124.9 Ų24.91%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-118.5121.5-176.4-50.1168.5000109.4F280 A281 A282 A283 F284 F512 V514 L537 M540F280-I432 HydrophobicContact CB-CD1 4.35Å; F280-I432 HydrophobicContact CD2-CD1 4.06Å; A281-I432 PolarHBondContact O-N 3.2Å; A282-I432 CarbonylContact C-O 3.52Å; A282-I432 WeakPolarHBondContact CA-O 3.35Å; A282-I432 HydrophobicContact CB-CB 3.76Å; A282-I432 HydrophobicContact CB-CD1 4.41Å; A282-I432 HydrophobicContact CB-CG1 4.48Å; A283-I432 PolarHBondContact N-O 2.69Å; F284-I432 HydrophobicContact CE1-CG2 4.04Å; F284-I432 HydrophobicContact CZ-CG2 4.09Å; I432-F512 WeakPolarHBondContact CA-O 3.45Å; I432-V514 HydrophobicContact CG2-CB 4.36Å; I432-V514 HydrophobicContact CG2-CG1 3.75Å; I432-V514 HydrophobicContact CG2-CG2 3.75Å; I432-L537 HydrophobicContact CD1-CD2 3.9Å; I432-M540 HydrophobicContact CD1-CE 4.17Å; I432-M540 HydrophobicContact CD1-SD 3.55Å; I432-M540 VanDerWaalsContact CD1-SD 3.55Å; I432-M540 HydrophobicContact CG1-CE 4.17Å; I432-M540 HydrophobicContact CG1-SD 3.88Å; I432-M540 HydrophobicContact CG2-CE 4.05Å
433F98.9Very high97.9Very high0 Ų023.1 Ų23.10%013%0.125CC..EExtended strand (participates in β ladder)trans-97.1159.1168.8-67.5-56.6000111.1M265 A283 I431 I456 M460 F480 W497 I511 F512 H513 V514M265-F433 HydrophobicContact CE-CE1 3.84Å; M265-F433 HydrophobicContact CE-CZ 4.23Å; A283-F433 HydrophobicContact CB-CD1 3.75Å; A283-F433 HydrophobicContact CB-CE1 3.85Å; I431-F433 HydrophobicContact CG2-CE1 4.31Å; I431-F433 HydrophobicContact CG2-CE2 4.12Å; I431-F433 HydrophobicContact CG2-CZ 3.91Å; F433-I456 HydrophobicContact CB-CG2 4.5Å; F433-I456 HydrophobicContact CD2-CG2 4.33Å; F433-M460 HydrophobicContact CB-CG 4.14Å; F433-M460 HydrophobicContact CB-SD 3.61Å; F433-M460 HydrophobicContact CD1-CE 4.4Å; F433-M460 HydrophobicContact CD1-SD 3.29Å; F433-M460 WeakPolarHBondContact CD1-SD 3.29Å; F433-M460 HydrophobicContact CE1-SD 4.17Å; F433-M460 HydrophobicContact CG-SD 3.66Å; F433-F480 HydrophobicContact CE1-CB 4.35Å; F433-F480 AromaticContact CE1-CD1 3.52Å; F433-F480 HydrophobicContact CE1-CD1 3.52Å; F433-F480 HydrophobicContact CE1-CE1 4.02Å; F433-F480 HydrophobicContact CE1-CG 4.08Å; F433-F480 HydrophobicContact CE2-CE1 4.2Å; F433-F480 AromaticContact CZ-CD1 3.4Å; F433-F480 HydrophobicContact CZ-CD1 3.4Å; F433-F480 VanDerWaalsContact CZ-CD1 3.4Å; F433-F480 AromaticContact CZ-CE1 3.38Å; F433-F480 HydrophobicContact CZ-CE1 3.38Å; F433-F480 HydrophobicContact CZ-CG 4.27Å; F433-F480 HydrophobicContact CZ-CZ 4.24Å; F433-W497 HydrophobicContact CZ-CH2 4.48Å; F433-I511 HydrophobicContact CD2-CG2 3.78Å; F433-I511 HydrophobicContact CE2-CG2 3.82Å; F433-F512 PolarHBondContact N-O 2.86Å; F433-H513 HydrophobicContact CB-CB 4.49Å; F433-H513 CarbonylContact O-C 3.58Å; F433-H513 WeakPolarHBondContact O-CA 3.37Å; F433-V514 WeakPolarHBondContact O-CG2 3.49Å; F433-V514 PolarHBondContact O-N 3.47Å
434G98.3Very high98Very high1 Ų120.6 Ų20.61%0.0111%0.108CC..EExtended strand (participates in β ladder)trans172165.6176.300000113.9A283 F284 P285 M460 V514A283-G434 PolarHBondContact O-N 3.43Å; F284-G434 WeakPolarHBondContact CD1-O 3.43Å; P285-G434 WeakPolarHBondContact CD-O 3.42Å; G434-M460 VanDerWaalsContact O-CE 3.31Å; G434-M460 WeakPolarHBondContact O-CE 3.2Å; G434-V514 VanDerWaalsContact CA-O 3.26Å; G434-V514 WeakPolarHBondContact CA-O 3.46Å
435G96.4Very high98Very high3 Ų315.3 Ų15.33%0.0318%0.083CC..  trans-167.1175.5-177.700000111.8R437 N515G435-R437 PolarHBondContact O-N 2.79Å; G435-N515 PolarHBondContact O-OD1 2.86Å
436R96.2Very high98Very high71 Ų7115.5 Ų15.527%0.2688%0.083SC..  trans-77.2101.6178.1-69.3169.2177.1-107.70.3109.8A287 S462 E463 F517A287-R436 PolarHBondContact O-NE 2.91Å; A287-R436 VanDerWaalsContact O-NE 3.12Å; A287-R436 PolarHBondContact O-NH2 2.84Å; R436-S462 PolarHBondContact N-OG 2.73Å; R436-S462 WeakPolarHBondContact O-CA 3.43Å; R436-E463 HydrophobicContact CB-CB 3.92Å; R436-E463 HydrophobicContact CB-CG 4.22Å; R436-E463 PolarHBondContact O-N 2.8Å; R436-F517 HydrophobicContact CB-CB 4.33Å; R436-F517 HydrophobicContact CB-CD2 4.16Å; R436-F517 HydrophobicContact CB-CG 4.16Å; R436-F517 HydrophobicContact CG-CB 4.4Å; R436-F517 HydrophobicContact CG-CD1 3.91Å; R436-F517 HydrophobicContact CG-CD2 3.65Å; R436-F517 HydrophobicContact CG-CE1 4.02Å; R436-F517 HydrophobicContact CG-CE2 3.76Å; R436-F517 HydrophobicContact CG-CG 3.71Å; R436-F517 HydrophobicContact CG-CZ 3.94Å
437R97.4Very high98Very high10 Ų1015.7 Ų15.74%0.0388%0.084CC..  trans-121.8101.8176.3-63.2-60.4-57.1-93.57.4110G435 T439 V441 R461 N515 F517 R518 E588G435-R437 PolarHBondContact O-N 2.79Å; R437-T439 PolarHBondContact O-N 2.85Å; R437-V441 HydrophobicContact CB-CB 4Å; R437-V441 HydrophobicContact CB-CG2 4.01Å; R437-V441 HydrophobicContact CG-CB 4.3Å; R437-V441 HydrophobicContact CG-CG2 3.96Å; R437-R461 VanDerWaalsContact CD-O 3.28Å; R437-R461 WeakPolarHBondContact CD-O 3.29Å; R437-N515 PolarHBondContact N-OD1 3.27Å; R437-N515 PolarHBondContact O-ND2 3.2Å; R437-N515 PolarHBondContact O-OD1 2.85Å; R437-F517 CarbonylContact O-C 3.5Å; R437-R518 WeakPolarHBondContact O-CA 3.44Å; R437-R518 PolarHBondContact O-N 2.92Å; R437-E588 IonicContact CZ-OE1 2.99Å; R437-E588 IonicContact CZ-OE2 2.97Å; R437-E588 IonicContact NH1-OE1 3.75Å; R437-E588 PolarHBondContact NH1-OE1 3.16Å; R437-E588 IonicContact NH1-OE2 3.87Å; R437-E588 VanDerWaalsContact NH2-CD 3.32Å; R437-E588 IonicContact NH2-OE1 3.24Å; R437-E588 PolarHBondContact NH2-OE1 2.98Å; R437-E588 IonicContact NH2-OE2 3.71Å; R437-E588 PolarHBondContact NH2-OE2 3.11Å
438P96.1Very high98Very high23 Ų2316.4 Ų16.415%0.1498%0.084CC..SBendtrans-66.9-24.7-177.227.1-35.5000112.9E463 F517 K519P438-E463 WeakPolarHBondContact CG-OE1 3.32Å; P438-F517 WeakPolarHBondContact CA-O 3.24Å; P438-K519 HydrophobicContact CB-CD 4.21Å; P438-K519 PolarHBondContact O-N 2.92Å
439T95.9Very high98Very high76 Ų7619.7 Ų19.747%0.46610%0.101SC..SBendtrans-133.7151.6-174.955.70000112.3R437 V441 F584R437-T439 PolarHBondContact O-N 2.85Å; T439-V441 VanDerWaalsContact C-N 3.26Å; T439-V441 PolarHBondContact O-N 3.26Å; T439-F584 WeakPolarHBondContact O-CE2 3.32Å; T439-F584 VanDerWaalsContact O-CZ 3.23Å; T439-F584 WeakPolarHBondContact O-CZ 3.4Å
440G95.8Very high98Very high7 Ų717.6 Ų17.67%0.0729%0.091CC..SBendtrans71.4-31.2164.300000119
441V98.2Very high98Very high3 Ų320.3 Ų20.32%0.01810%0.104CC..  trans-84.5125.3178-177.30000110R437 T439 Y445 N515 F584 W585R437-V441 HydrophobicContact CB-CB 4Å; R437-V441 HydrophobicContact CB-CG2 4.01Å; R437-V441 HydrophobicContact CG-CB 4.3Å; R437-V441 HydrophobicContact CG-CG2 3.96Å; T439-V441 VanDerWaalsContact C-N 3.26Å; T439-V441 PolarHBondContact O-N 3.26Å; V441-Y445 HydrophobicContact CG1-CE1 4.1Å; V441-N515 HydrophobicContact CB-CB 4.38Å; V441-N515 HydrophobicContact CG1-CB 4.01Å; V441-N515 PolarHBondContact O-ND2 2.8Å; V441-F584 HydrophobicContact CG2-CE1 4.18Å; V441-F584 HydrophobicContact CG2-CZ 4.18Å; V441-W585 HydrophobicContact CG2-CZ2 4.38Å
442P98.4Very high98Very high0 Ų020.4 Ų20.40%010%0.104CC..  trans-75.3168.9-175.132.5-36.9000113V444 Y445 N515 I555 L577 F578P442-V444 VanDerWaalsContact C-N 3.31Å; P442-V444 PolarHBondContact O-N 3.46Å; P442-Y445 HydrophobicContact CG-CD1 4Å; P442-N515 WeakPolarHBondContact O-CB 3.45Å; P442-I555 HydrophobicContact CG-CD1 3.68Å; P442-L577 VanDerWaalsContact CA-O 3.24Å; P442-L577 WeakPolarHBondContact CA-O 3.5Å; P442-L577 WeakPolarHBondContact CB-O 3.5Å; P442-F578 HydrophobicContact CB-CD1 3.99Å
443L98.6Very high98Very high0 Ų020.4 Ų20.40%010%0.104CC..SBendtrans-52.9-45.6-177.7178.467.7000113.3V514 N515 W516 W527 V536 L564 L577 F578L443-V514 CarbonylContact O-C 3.54Å; L443-V514 WeakPolarHBondContact O-CA 3.22Å; L443-N515 PolarHBondContact O-N 3.41Å; L443-W516 HydrophobicContact CD1-CE3 3.63Å; L443-W516 HydrophobicContact CD1-CZ3 3.69Å; L443-W516 HydrophobicContact CG-CZ3 4.36Å; L443-W527 HydrophobicContact CD1-CB 4Å; L443-W527 HydrophobicContact CD1-CD2 3.73Å; L443-W527 HydrophobicContact CD1-CE3 4.38Å; L443-W527 HydrophobicContact CD1-CG 3.51Å; L443-W527 HydrophobicContact CD2-CD2 3.96Å; L443-W527 HydrophobicContact CD2-CE3 3.9Å; L443-W527 HydrophobicContact CD2-CH2 4.26Å; L443-W527 HydrophobicContact CD2-CZ2 4.29Å; L443-W527 HydrophobicContact CD2-CZ3 4.06Å; L443-V536 HydrophobicContact CD1-CG2 4.37Å; L443-V536 HydrophobicContact CD2-CG2 3.46Å; L443-V536 VanDerWaalsContact CD2-CG2 3.46Å; L443-V536 HydrophobicContact CG-CG2 3.86Å; L443-L564 HydrophobicContact CD2-CD1 4.3Å; L443-L577 HydrophobicContact CB-CD1 3.9Å; L443-L577 HydrophobicContact CB-CD2 4.05Å; L443-L577 HydrophobicContact CB-CG 3.73Å; L443-L577 HydrophobicContact CD2-CD2 3.85Å; L443-L577 HydrophobicContact CD2-CG 4.48Å; L443-L577 HydrophobicContact CG-CD2 4.41Å; L443-L577 PolarHBondContact N-O 3.03Å; L443-F578 HydrophobicContact CB-CE1 4Å; L443-F578 HydrophobicContact CB-CE2 4.3Å; L443-F578 HydrophobicContact CB-CZ 3.71Å; L443-F578 HydrophobicContact CD2-CE2 4.35Å; L443-F578 HydrophobicContact CD2-CZ 3.93Å; L443-F578 HydrophobicContact CG-CZ 4.32Å
444V98.9Very high98Very high0 Ų020.4 Ų20.40%010%0.104CC..EExtended strand (participates in β ladder)trans-154142.6179.762.30000111.3P442 H513 V514 V536 W539 M540 P559 F578P442-V444 VanDerWaalsContact C-N 3.31Å; P442-V444 PolarHBondContact O-N 3.46Å; V444-H513 CarbonylContact C-O 3.48Å; V444-H513 VanDerWaalsContact CA-O 3.26Å; V444-H513 WeakPolarHBondContact CA-O 3.48Å; V444-V514 HydrophobicContact CB-CG1 4.2Å; V444-V514 HydrophobicContact CG2-CG1 3.95Å; V444-V536 HydrophobicContact CB-CG1 3.73Å; V444-V536 HydrophobicContact CG1-CG1 3.97Å; V444-V536 HydrophobicContact CG2-CG1 3.8Å; V444-W539 HydrophobicContact CG1-CE3 4.12Å; V444-W539 HydrophobicContact CG1-CZ3 4.15Å; V444-W539 HydrophobicContact CG2-CE3 3.97Å; V444-W539 HydrophobicContact CG2-CZ3 3.58Å; V444-M540 HydrophobicContact CG2-CE 3.48Å; V444-M540 VanDerWaalsContact CG2-CE 3.48Å; V444-P559 HydrophobicContact CG1-CG 3.7Å; V444-F578 HydrophobicContact CG1-CE1 3.85Å; V444-F578 HydrophobicContact CG1-CZ 4.05Å; V444-F578 WeakPolarHBondContact O-CE1 3.31Å
445Y98.8Very high98Very high14 Ų1420.6 Ų20.66%0.05511%0.105CC..EExtended strand (participates in β ladder)trans-145.3148.7164.961.7-83.6000111.7V441 P442 I456 F512 H513 I555 Y557V441-Y445 HydrophobicContact CG1-CE1 4.1Å; P442-Y445 HydrophobicContact CG-CD1 4Å; Y445-I456 HydrophobicContact CD2-CD1 4.24Å; Y445-I456 HydrophobicContact CE2-CD1 3.65Å; Y445-I456 HydrophobicContact CE2-CG1 3.96Å; Y445-I456 HydrophobicContact CE2-CG2 4.28Å; Y445-F512 CarbonylContact O-C 3.52Å; Y445-F512 VanDerWaalsContact O-CA 3.29Å; Y445-F512 WeakPolarHBondContact O-CA 3.31Å; Y445-H513 HydrophobicContact CD1-CB 4.06Å; Y445-H513 HydrophobicContact CD2-CB 4.33Å; Y445-H513 HydrophobicContact CE1-CB 3.52Å; Y445-H513 AromaticContact CE1-CG 3.53Å; Y445-H513 AromaticContact CE1-ND1 3.35Å; Y445-H513 WeakPolarHBondContact CE1-ND1 3.49Å; Y445-H513 HydrophobicContact CE2-CB 3.81Å; Y445-H513 HydrophobicContact CG-CB 4.44Å; Y445-H513 AromaticContact CZ-CG 3.51Å; Y445-H513 AromaticContact CZ-ND1 3.8Å; Y445-H513 PolarHBondContact N-O 3.27Å; Y445-H513 PolarHBondContact O-N 2.98Å; Y445-H513 VanDerWaalsContact OH-CG 3.29Å; Y445-I555 HydrophobicContact CD1-CD1 4.11Å; Y445-I555 VanDerWaalsContact CD2-O 3.31Å; Y445-I555 WeakPolarHBondContact CD2-O 3.49Å; Y445-I555 HydrophobicContact CE1-CD1 4.37Å; Y445-I555 WeakPolarHBondContact CE2-O 3.42Å; Y445-I555 HydrophobicContact CG-CD1 4.22Å; Y445-Y557 CarbonylContact C-O 3.52Å; Y445-Y557 VanDerWaalsContact CA-O 3.24Å; Y445-Y557 WeakPolarHBondContact CA-O 3.27Å
446E98.9Very high98.2Very high9 Ų920.7 Ų20.74%0.04210%0.104CC..EExtended strand (participates in β ladder)trans-96.3139.3174.8-174.4-172.5168.900109.9K510 F512 W539 R543 G556 Y557E446-K510 WeakPolarHBondContact OE1-CD 3.34Å; E446-K510 IonicContact OE1-NZ 3.42Å; E446-K510 PolarHBondContact OE1-NZ 2.64Å; E446-F512 HydrophobicContact CB-CD1 3.62Å; E446-F512 HydrophobicContact CB-CE1 3.6Å; E446-F512 HydrophobicContact CG-CD1 3.91Å; E446-F512 HydrophobicContact CG-CE1 3.58Å; E446-F512 HydrophobicContact CG-CZ 4.19Å; E446-W539 HydrophobicContact CB-CH2 4.03Å; E446-R543 IonicContact OE1-NH2 2.69Å; E446-R543 IonicContact OE2-CZ 3.09Å; E446-R543 IonicContact OE2-NE 2.69Å; E446-R543 PolarHBondContact OE2-NE 3.26Å; E446-R543 IonicContact OE2-NH2 2.58Å; E446-R543 PolarHBondContact OE2-NH2 2.83Å; E446-G556 CarbonylContact O-C 3.54Å; E446-G556 VanDerWaalsContact O-CA 3.25Å; E446-G556 WeakPolarHBondContact O-CA 3.19Å; E446-Y557 HydrophobicContact CB-CD2 4.48Å; E446-Y557 PolarHBondContact N-O 2.96Å; E446-Y557 PolarHBondContact O-N 2.85Å
447A98.8Very high98.3Very high7 Ų717.3 Ų17.36%0.0589%0.092CC..  trans-66.1151.4173.600000112.1I456 I511A447-I456 HydrophobicContact CB-CD1 3.65Å; A447-I511 HydrophobicContact CB-CB 4.06Å; A447-I511 HydrophobicContact CB-CG2 4.3Å; A447-I511 WeakPolarHBondContact CB-O 3.39Å; A447-I511 PolarHBondContact N-O 2.76Å
448F98.6Very high98.3Very high56 Ų5616.9 Ų16.925%0.2469%0.09CC..SBendtrans-69.2-33.9176.6-63-60.2000113.8H452 T553 G556 Y557F448-H452 HydrophobicContact CB-CB 4.42Å; F448-H452 AromaticContact CD2-CE1 3.47Å; F448-H452 VanDerWaalsContact CD2-CE1 3.47Å; F448-H452 WeakPolarHBondContact CD2-CE1 3.49Å; F448-H452 AromaticContact CD2-CG 3.87Å; F448-H452 AromaticContact CD2-ND1 3.51Å; F448-H452 AromaticContact CD2-NE2 3.84Å; F448-H452 AromaticContact CE2-CE1 3.76Å; F448-H452 PolarHBondContact N-ND1 3.07Å; F448-H452 VanDerWaalsContact N-ND1 3.18Å; F448-T553 WeakPolarHBondContact CZ-O 3.36Å; F448-G556 VanDerWaalsContact CZ-N 3.26Å; F448-Y557 HydrophobicContact CD1-CD2 4.01Å; F448-Y557 HydrophobicContact CD1-CE1 4.45Å; F448-Y557 AromaticContact CD1-CE2 3.52Å; F448-Y557 HydrophobicContact CD1-CE2 3.52Å; F448-Y557 AromaticContact CD1-CZ 3.75Å; F448-Y557 HydrophobicContact CE1-CD2 4.35Å; F448-Y557 HydrophobicContact CE1-CE1 4.42Å; F448-Y557 HydrophobicContact CE1-CE2 4.15Å
449N98.6Very high98.5Very high74 Ų7416.4 Ų16.440%0.3969%0.088SC..SBendtrans-162.6-179.1-177.757.347.3000108.8Q451 H452 G453N449-Q451 PolarHBondContact OD1-N 2.77Å; N449-Q451 VanDerWaalsContact OD1-N 3.15Å; N449-Q451 PolarHBondContact OD1-OE1 2.78Å; N449-H452 WeakPolarHBondContact OD1-CB 3.35Å; N449-H452 PolarHBondContact OD1-N 3.19Å; N449-G453 PolarHBondContact O-N 3.38Å
450W98.8Very high98.6Very high14 Ų1412.9 Ų12.95%0.0537%0.066CC..Hα-helixtrans-60.9-46.9-179.7-176.1-102.7000112.7I431 H452 G453 V454 W497 M500 A501 L508 P509 I511I431-W450 HydrophobicContact CD1-CH2 4.33Å; W450-H452 PolarHBondContact O-N 2.81Å; W450-G453 CarbonylContact O-C 3.56Å; W450-G453 WeakPolarHBondContact O-CA 3.49Å; W450-G453 PolarHBondContact O-N 3.44Å; W450-V454 WeakPolarHBondContact O-CG2 3.39Å; W450-V454 PolarHBondContact O-N 3.34Å; W450-W497 HydrophobicContact CH2-CE3 4.02Å; W450-W497 AromaticContact CH2-CZ3 3.87Å; W450-W497 HydrophobicContact CH2-CZ3 3.87Å; W450-W497 AromaticContact CZ2-CE3 3.71Å; W450-W497 HydrophobicContact CZ2-CE3 3.71Å; W450-W497 HydrophobicContact CZ2-CZ3 4.06Å; W450-W497 PolarHBondContact NE1-O 3.3Å; W450-M500 HydrophobicContact CZ2-CB 3.89Å; W450-M500 HydrophobicContact CZ2-CG 4.38Å; W450-A501 HydrophobicContact CG-CB 4.19Å; W450-L508 HydrophobicContact CB-CD1 3.84Å; W450-L508 HydrophobicContact CD2-CB 4.47Å; W450-L508 HydrophobicContact CD2-CD1 4.07Å; W450-L508 HydrophobicContact CD2-CD2 4.09Å; W450-L508 HydrophobicContact CD2-CG 4.44Å; W450-L508 HydrophobicContact CE3-CB 3.87Å; W450-L508 HydrophobicContact CE3-CD1 4.29Å; W450-L508 HydrophobicContact CE3-CD2 4.11Å; W450-L508 HydrophobicContact CE3-CG 4.31Å; W450-L508 HydrophobicContact CG-CD1 3.89Å; W450-L508 HydrophobicContact CH2-CD2 4.49Å; W450-L508 HydrophobicContact CZ2-CD2 4.46Å; W450-L508 HydrophobicContact CZ3-CB 4.27Å; W450-L508 HydrophobicContact CZ3-CD2 4.31Å; W450-P509 HydrophobicContact CH2-CG 4.46Å; W450-P509 HydrophobicContact CZ3-CG 3.94Å; W450-I511 HydrophobicContact CD2-CD1 4.18Å; W450-I511 HydrophobicContact CE3-CD1 3.56Å; W450-I511 HydrophobicContact CE3-CG1 4.26Å; W450-I511 HydrophobicContact CH2-CD1 4.31Å; W450-I511 HydrophobicContact CZ3-CD1 3.63Å; W450-I511 HydrophobicContact CZ3-CG1 4.13Å
451Q98.8Very high98.6Very high58 Ų5813.8 Ų13.827%0.2717%0.067SC..Hα-helixtrans-60.3-46.4-177.6-64.275.811.300111.1N449 G453 V454 F455 L498N449-Q451 PolarHBondContact OD1-N 2.77Å; N449-Q451 VanDerWaalsContact OD1-N 3.15Å; N449-Q451 PolarHBondContact OD1-OE1 2.78Å; Q451-G453 VanDerWaalsContact C-N 3.3Å; Q451-G453 PolarHBondContact O-N 3.47Å; Q451-V454 PolarHBondContact O-N 3.09Å; Q451-F455 PolarHBondContact O-N 2.83Å; Q451-L498 HydrophobicContact CB-CD2 4.25Å; Q451-L498 HydrophobicContact CG-CD2 4.05Å
452H98.9Very high98.5Very high2 Ų213.8 Ų13.81%0.0097%0.068CC..Hα-helixtrans-62.2-37172.9-176.5-115.2000112.2F448 N449 W450 F455 I456 I555 E611 R618F448-H452 HydrophobicContact CB-CB 4.42Å; F448-H452 AromaticContact CD2-CE1 3.47Å; F448-H452 VanDerWaalsContact CD2-CE1 3.47Å; F448-H452 WeakPolarHBondContact CD2-CE1 3.49Å; F448-H452 AromaticContact CD2-CG 3.87Å; F448-H452 AromaticContact CD2-ND1 3.51Å; F448-H452 AromaticContact CD2-NE2 3.84Å; F448-H452 AromaticContact CE2-CE1 3.76Å; F448-H452 PolarHBondContact N-ND1 3.07Å; F448-H452 VanDerWaalsContact N-ND1 3.18Å; N449-H452 WeakPolarHBondContact OD1-CB 3.35Å; N449-H452 PolarHBondContact OD1-N 3.19Å; W450-H452 PolarHBondContact O-N 2.81Å; H452-F455 AromaticContact CD2-CD1 3.92Å; H452-F455 WeakPolarHBondContact O-CB 3.36Å; H452-F455 PolarHBondContact O-N 3.15Å; H452-I456 VanDerWaalsContact CE1-CD1 3.47Å; H452-I456 WeakPolarHBondContact CE1-CD1 3.41Å; H452-I456 WeakPolarHBondContact ND1-CD1 3.46Å; H452-I456 VanDerWaalsContact O-CG1 3.27Å; H452-I456 WeakPolarHBondContact O-CG1 3.34Å; H452-I456 PolarHBondContact O-N 3.07Å; H452-I555 PolarHBondContact CE1-O 3.43Å; H452-I555 VanDerWaalsContact CE1-O 3.28Å; H452-E611 IonicContact CD2-OE2 3.65Å; H452-E611 PolarHBondContact CD2-OE2 3Å; H452-E611 VanDerWaalsContact CD2-OE2 3.24Å; H452-E611 IonicContact CG-OE2 3.26Å; H452-R618 PolarHBondContact NE2-NH2 2.74Å
453G98.9Very high98.2Very high0 Ų015.1 Ų15.10%07%0.074CC..Hα-helixtrans-65.1-40.4174.600000113.4N449 W450 Q451 F455 I456 G457N449-G453 PolarHBondContact O-N 3.38Å; W450-G453 CarbonylContact O-C 3.56Å; W450-G453 WeakPolarHBondContact O-CA 3.49Å; W450-G453 PolarHBondContact O-N 3.44Å; Q451-G453 VanDerWaalsContact C-N 3.3Å; Q451-G453 PolarHBondContact O-N 3.47Å; G453-F455 VanDerWaalsContact C-N 3.35Å; G453-I456 WeakPolarHBondContact O-CB 3.48Å; G453-I456 PolarHBondContact O-N 3.5Å; G453-G457 PolarHBondContact O-N 2.83Å
454V98.9Very high97.7Very high0 Ų016 Ų160%08%0.081CC..Hα-helixtrans-64-41.9172.6178.60000110.3W450 Q451 I456 G457 A458 F480 L494 W497 L498 I608W450-V454 WeakPolarHBondContact O-CG2 3.39Å; W450-V454 PolarHBondContact O-N 3.34Å; Q451-V454 PolarHBondContact O-N 3.09Å; V454-I456 PolarHBondContact O-N 3.25Å; V454-G457 PolarHBondContact O-N 3.11Å; V454-A458 WeakPolarHBondContact O-CB 3.42Å; V454-A458 PolarHBondContact O-N 3.09Å; V454-F480 HydrophobicContact CB-CZ 4.47Å; V454-F480 HydrophobicContact CG1-CZ 3.91Å; V454-F480 WeakPolarHBondContact O-CE2 3.26Å; V454-F480 WeakPolarHBondContact O-CZ 3.19Å; V454-L494 HydrophobicContact CG1-CD2 4.01Å; V454-W497 HydrophobicContact CG1-CB 3.99Å; V454-W497 HydrophobicContact CG2-CB 4.08Å; V454-W497 HydrophobicContact CG2-CE3 4.39Å; V454-L498 HydrophobicContact CB-CD2 4.15Å; V454-L498 HydrophobicContact CG1-CD2 4.22Å; V454-L498 HydrophobicContact CG1-CG 4.16Å; V454-L498 HydrophobicContact CG2-CD2 4.25Å; V454-I608 HydrophobicContact CB-CD1 4.28Å; V454-I608 HydrophobicContact CG1-CD1 3.79Å
455F98.9Very high97Very high6 Ų617.5 Ų17.53%0.0269%0.09CC..Hα-helixtrans-59.5-44.1172.7162.5-102.5000112.3Q451 H452 G453 G457 A458 A459 I592 F596 I608 E611 V612 L615Q451-F455 PolarHBondContact O-N 2.83Å; H452-F455 AromaticContact CD2-CD1 3.92Å; H452-F455 WeakPolarHBondContact O-CB 3.36Å; H452-F455 PolarHBondContact O-N 3.15Å; G453-F455 VanDerWaalsContact C-N 3.35Å; F455-G457 VanDerWaalsContact C-N 3.33Å; F455-G457 PolarHBondContact O-N 2.87Å; F455-A458 CarbonylContact O-C 3.59Å; F455-A458 WeakPolarHBondContact O-CB 3.15Å; F455-A458 PolarHBondContact O-N 2.98Å; F455-A458 VanDerWaalsContact O-N 3.1Å; F455-A459 HydrophobicContact CE2-CB 4.26Å; F455-A459 HydrophobicContact CZ-CB 4.26Å; F455-A459 WeakPolarHBondContact O-CB 3.33Å; F455-A459 PolarHBondContact O-N 3.21Å; F455-I592 HydrophobicContact CE2-CG2 4.05Å; F455-F596 HydrophobicContact CD2-CE2 4.1Å; F455-F596 AromaticContact CE2-CE2 3.98Å; F455-F596 HydrophobicContact CE2-CE2 3.98Å; F455-I608 HydrophobicContact CB-CD1 4.33Å; F455-I608 HydrophobicContact CD2-CG2 4.19Å; F455-E611 HydrophobicContact CB-CB 3.6Å; F455-E611 HydrophobicContact CB-CG 3.99Å; F455-E611 HydrophobicContact CD1-CB 3.98Å; F455-E611 HydrophobicContact CD2-CB 3.98Å; F455-E611 HydrophobicContact CG-CB 3.56Å; F455-E611 HydrophobicContact CG-CG 4.44Å; F455-V612 HydrophobicContact CD2-CG2 4.13Å; F455-V612 HydrophobicContact CE2-CB 4.47Å; F455-V612 HydrophobicContact CE2-CG2 3.55Å; F455-V612 HydrophobicContact CZ-CG2 4.43Å; F455-L615 HydrophobicContact CE1-CD2 3.96Å; F455-L615 HydrophobicContact CZ-CD2 3.79Å
456I98.9Very high96.2Very high5 Ų518.9 Ų18.93%0.02611%0.105CC..Hα-helixtrans-58.6-45.2175.7-73.8161.1000111F433 Y445 A447 H452 G453 V454 A458 A459 M460 H513F433-I456 HydrophobicContact CB-CG2 4.5Å; F433-I456 HydrophobicContact CD2-CG2 4.33Å; Y445-I456 HydrophobicContact CD2-CD1 4.24Å; Y445-I456 HydrophobicContact CE2-CD1 3.65Å; Y445-I456 HydrophobicContact CE2-CG1 3.96Å; Y445-I456 HydrophobicContact CE2-CG2 4.28Å; A447-I456 HydrophobicContact CB-CD1 3.65Å; H452-I456 VanDerWaalsContact CE1-CD1 3.47Å; H452-I456 WeakPolarHBondContact CE1-CD1 3.41Å; H452-I456 WeakPolarHBondContact ND1-CD1 3.46Å; H452-I456 VanDerWaalsContact O-CG1 3.27Å; H452-I456 WeakPolarHBondContact O-CG1 3.34Å; H452-I456 PolarHBondContact O-N 3.07Å; G453-I456 WeakPolarHBondContact O-CB 3.48Å; G453-I456 PolarHBondContact O-N 3.5Å; V454-I456 PolarHBondContact O-N 3.25Å; I456-A458 VanDerWaalsContact C-N 3.32Å; I456-A458 PolarHBondContact O-N 2.95Å; I456-A459 PolarHBondContact O-N 2.73Å; I456-M460 PolarHBondContact O-N 2.87Å; I456-H513 HydrophobicContact CG2-CB 3.67Å
457G98.8Very high95Very high0 Ų018.6 Ų18.60%010%0.104CC..Hα-helixtrans-59.6-42.1173.900000112.1G453 V454 F455 A459 M460 P479 F480G453-G457 PolarHBondContact O-N 2.83Å; V454-G457 PolarHBondContact O-N 3.11Å; F455-G457 VanDerWaalsContact C-N 3.33Å; F455-G457 PolarHBondContact O-N 2.87Å; G457-A459 VanDerWaalsContact C-N 3.34Å; G457-A459 PolarHBondContact O-N 2.55Å; G457-M460 WeakPolarHBondContact O-CB 3.34Å; G457-M460 VanDerWaalsContact O-CG 3.29Å; G457-M460 WeakPolarHBondContact O-CG 3.45Å; G457-M460 PolarHBondContact O-N 3.12Å; G457-P479 CarbonylContact O-C 3.48Å; G457-P479 VanDerWaalsContact O-CA 3.31Å; G457-P479 WeakPolarHBondContact O-CA 3.46Å; G457-F480 WeakPolarHBondContact O-CD2 3.48Å; G457-F480 PolarHBondContact O-N 2.9Å
458A98.8Very high94.2Very high0 Ų018.9 Ų18.90%011%0.106CC..Hα-helixtrans-68.2-32.7179.400000113.1V454 F455 I456 M460 F480 F490 L494 F596V454-A458 WeakPolarHBondContact O-CB 3.42Å; V454-A458 PolarHBondContact O-N 3.09Å; F455-A458 CarbonylContact O-C 3.59Å; F455-A458 WeakPolarHBondContact O-CB 3.15Å; F455-A458 PolarHBondContact O-N 2.98Å; F455-A458 VanDerWaalsContact O-N 3.1Å; I456-A458 VanDerWaalsContact C-N 3.32Å; I456-A458 PolarHBondContact O-N 2.95Å; A458-M460 VanDerWaalsContact C-N 3.29Å; A458-M460 PolarHBondContact O-N 3.05Å; A458-F480 HydrophobicContact CB-CE2 4.14Å; A458-F490 HydrophobicContact CB-CZ 4.11Å; A458-L494 HydrophobicContact CB-CD1 4.35Å; A458-L494 HydrophobicContact CB-CD2 3.63Å; A458-F596 HydrophobicContact CB-CE1 4.2Å; A458-F596 HydrophobicContact CB-CZ 3.74Å
459A98.6Very high93.4Very high13 Ų1319.6 Ų19.611%0.10711%0.111CC..THydrogen-bonded Turntrans-83.9-0.6-179.300000113.5F455 I456 G457 R461 I592F455-A459 HydrophobicContact CE2-CB 4.26Å; F455-A459 HydrophobicContact CZ-CB 4.26Å; F455-A459 WeakPolarHBondContact O-CB 3.33Å; F455-A459 PolarHBondContact O-N 3.21Å; I456-A459 PolarHBondContact O-N 2.73Å; G457-A459 VanDerWaalsContact C-N 3.34Å; G457-A459 PolarHBondContact O-N 2.55Å; A459-R461 PolarHBondContact O-N 2.86Å; A459-I592 HydrophobicContact CB-CD1 3.75Å; A459-I592 HydrophobicContact CB-CG1 4.14Å; A459-I592 HydrophobicContact CB-CG2 4.35Å
460M98.1Very high92.5Very high3 Ų318.9 Ų18.92%0.01510%0.104CC..  trans-55.3131.8-178-77.5175.161.600112.3A283 P285 F433 G434 I456 G457 A458 D478 F480 A481A283-M460 WeakPolarHBondContact O-CE 3.34Å; P285-M460 HydrophobicContact CG-CE 4.49Å; F433-M460 HydrophobicContact CB-CG 4.14Å; F433-M460 HydrophobicContact CB-SD 3.61Å; F433-M460 HydrophobicContact CD1-CE 4.4Å; F433-M460 HydrophobicContact CD1-SD 3.29Å; F433-M460 WeakPolarHBondContact CD1-SD 3.29Å; F433-M460 HydrophobicContact CE1-SD 4.17Å; F433-M460 HydrophobicContact CG-SD 3.66Å; G434-M460 VanDerWaalsContact O-CE 3.31Å; G434-M460 WeakPolarHBondContact O-CE 3.2Å; I456-M460 PolarHBondContact O-N 2.87Å; G457-M460 WeakPolarHBondContact O-CB 3.34Å; G457-M460 VanDerWaalsContact O-CG 3.29Å; G457-M460 WeakPolarHBondContact O-CG 3.45Å; G457-M460 PolarHBondContact O-N 3.12Å; A458-M460 VanDerWaalsContact C-N 3.29Å; A458-M460 PolarHBondContact O-N 3.05Å; M460-D478 VanDerWaalsContact CB-O 3.31Å; M460-D478 WeakPolarHBondContact CB-O 3.31Å; M460-D478 CarbonylContact O-C 3.54Å; M460-D478 PolarHBondContact O-N 2.83Å; M460-F480 PolarHBondContact SD-N 3.07Å; M460-A481 HydrophobicContact CE-CB 4.12Å
461R97.3Very high91.4Very high25 Ų2527.1 Ų27.19%0.09414%0.141CC..EExtended strand (participates in β ladder)trans-134.3150.6174.2-65.2167.581.6-148.44.8110R437 A459 I475 M476 H477 E588 E591R437-R461 VanDerWaalsContact CD-O 3.28Å; R437-R461 WeakPolarHBondContact CD-O 3.29Å; A459-R461 PolarHBondContact O-N 2.86Å; R461-I475 HydrophobicContact CB-CG2 3.78Å; R461-M476 CarbonylContact C-O 3.6Å; R461-M476 WeakPolarHBondContact CA-O 3.46Å; R461-H477 VanDerWaalsContact CD-CE1 3.42Å; R461-H477 WeakPolarHBondContact CD-CE1 3.43Å; R461-H477 HydrophobicContact CG-CB 4.45Å; R461-H477 WeakPolarHBondContact CG-ND1 3.27Å; R461-H477 PolarHBondContact NE-NE2 3.08Å; R461-E588 VanDerWaalsContact CD-OE1 3.31Å; R461-E588 WeakPolarHBondContact CD-OE1 3.43Å; R461-E588 IonicContact CZ-OE1 2.86Å; R461-E588 IonicContact NH1-OE1 3.55Å; R461-E588 PolarHBondContact NH1-OE1 2.72Å; R461-E588 IonicContact NH1-OE2 2.74Å; R461-E588 PolarHBondContact NH1-OE2 3.09Å; R461-E591 IonicContact CZ-OE1 2.94Å; R461-E591 IonicContact NH2-OE1 3.38Å; R461-E591 PolarHBondContact NH2-OE1 3.31Å
462S95.3Very high90.2Very high4 Ų427 Ų273%0.02816%0.155CC..EExtended strand (participates in β ladder)trans-154.1148.8-179.3-177.30000111.3C288 R436 M476C288-S462 PolarHBondContact SG-OG 2.84Å; R436-S462 PolarHBondContact N-OG 2.73Å; R436-S462 WeakPolarHBondContact O-CA 3.43Å; S462-M476 PolarHBondContact N-O 3.39Å; S462-M476 PolarHBondContact O-N 2.82Å
463E92.8Very high89.4Confident27 Ų2734.4 Ų34.413%0.12619%0.187CC..EExtended strand (participates in β ladder)trans-53.5139.3163.9-67-176.916700110.9R436 P438 I474 I475R436-E463 HydrophobicContact CB-CB 3.92Å; R436-E463 HydrophobicContact CB-CG 4.22Å; R436-E463 PolarHBondContact O-N 2.8Å; P438-E463 WeakPolarHBondContact CG-OE1 3.32Å; E463-I474 CarbonylContact C-O 3.47Å; E463-I474 WeakPolarHBondContact CA-O 3.49Å; E463-I475 HydrophobicContact CG-CG1 4.4Å
464A87.6Confident88.9Confident18 Ų1839.9 Ų39.915%0.14922%0.215CC..  trans-58.9151.6173.700000112.2H470 I474 M476A464-H470 HydrophobicContact CB-CB 4.17Å; A464-I474 PolarHBondContact N-O 2.81Å; A464-M476 HydrophobicContact CB-CG 4.43Å; A464-M476 HydrophobicContact CB-SD 3.79Å
465T84.1Confident88.6Confident32 Ų3242.4 Ų42.420%0.19623%0.228CC..  trans-134.7163.2-177.270.70000111.4S286 A287 A467S286-T465 WeakPolarHBondContact O-CG2 3.46Å; S286-T465 PolarHBondContact O-OG1 3.41Å; A287-T465 HydrophobicContact CB-CG2 4.12Å; T465-A467 PolarHBondContact O-N 3.5Å
466A81.6Confident88.4Confident44 Ų4444 Ų4436%0.36424%0.236SC..THydrogen-bonded Turntrans-72.68.2-177.700000114.9P402 N403 A468P402-A466 HydrophobicContact CB-CB 3.79Å; N403-A466 HydrophobicContact CB-CB 4.44Å; N403-A466 VanDerWaalsContact CB-O 3.23Å; N403-A466 WeakPolarHBondContact CB-O 3.41Å; A466-A468 PolarHBondContact O-N 3.36Å
467A73.3Confident88.3Confident2 Ų244.3 Ų44.32%0.01724%0.238CC..THydrogen-bonded Turntrans-80.10.6-175.100000114.6R87 T465R87-A467 PolarHBondContact NE-O 3.02Å; R87-A467 PolarHBondContact NH2-O 3.22Å; T465-A467 PolarHBondContact O-N 3.5Å
468A82.6Confident88.2Confident13 Ų1344.8 Ų44.811%0.10724%0.24CC..SBendtrans-154.5-167.1177.300000109.1R87 E89 A466 H470R87-A468 WeakPolarHBondContact O-CA 3.42Å; E89-A468 HydrophobicContact CG-CB 4.15Å; E89-A468 WeakPolarHBondContact OE1-CB 3.06Å; A466-A468 PolarHBondContact O-N 3.36Å; A468-H470 VanDerWaalsContact C-N 3.29Å; A468-H470 PolarHBondContact O-N 3Å
469E81.9Confident88.2Confident72 Ų7244.8 Ų44.834%0.33624%0.24SC..SBendtrans-75.7-3.9-177.965.9-104-130.300116.4I88 E89 S90I88-E469 VanDerWaalsContact CA-OE2 3.28Å; I88-E469 WeakPolarHBondContact CA-OE2 3.24Å; E89-E469 PolarHBondContact N-OE1 2.97Å; E89-E469 PolarHBondContact N-OE2 2.81Å; S90-E469 WeakPolarHBondContact CB-OE1 3.35Å; S90-E469 PolarHBondContact N-OE1 3.24Å; S90-E469 PolarHBondContact OG-OE1 3.04Å
470H80.1Confident88.2Confident58 Ų5844.2 Ų44.227%0.26924%0.235SC..  trans-72.2133-176.9-58.7-63.9000111.8E89 A464 A468 M476E89-H470 IonicContact OE1-CD2 2.65Å; E89-H470 IonicContact OE1-NE2 3.86Å; E89-H470 IonicContact OE2-CD2 3.24Å; E89-H470 IonicContact OE2-CE1 3.78Å; E89-H470 IonicContact OE2-NE2 2.81Å; E89-H470 PolarHBondContact OE2-NE2 3.43Å; A464-H470 HydrophobicContact CB-CB 4.17Å; A468-H470 VanDerWaalsContact C-N 3.29Å; A468-H470 PolarHBondContact O-N 3Å; H470-M476 HydrophobicContact CB-SD 4.18Å
471K74.8Confident88.2Confident188 Ų18844 Ų4482%0.81723%0.234SC*.  trans-112.6150.3-178.2-64.3-176.2-178.8179.60112
472G74.1Confident88.3Confident55 Ų5542.9 Ų42.957%0.56723%0.23SC*.SBendtrans87.4-172.4174.300000114.4
473K81.4Confident88.4Confident157 Ų15743.7 Ų43.768%0.68323%0.232SC*.SBendtrans-106.635.1-178.6-63.6-178.5179.41710112.3
474I89.4Confident88.6Confident116 Ų11643.2 Ų43.260%0.59523%0.232SC*.  trans-73.8136.3-179.6-60170.8000108.7E463 A464 M476E463-I474 CarbonylContact C-O 3.47Å; E463-I474 WeakPolarHBondContact CA-O 3.49Å; A464-I474 PolarHBondContact N-O 2.81Å; I474-M476 PolarHBondContact O-N 2.85Å
475I92.4Very high89.1Confident52 Ų5242.4 Ų42.427%0.26723%0.225SC..EExtended strand (participates in β ladder)trans-75.3122.8173.2-61.9175.4000108.3R461 E463R461-I475 HydrophobicContact CB-CG2 3.78Å; E463-I475 HydrophobicContact CG-CG1 4.4Å
476M94Very high89.8Confident41 Ų4141.1 Ų41.120%0.20222%0.216CC..EExtended strand (participates in β ladder)trans-117.2149.3178.6-61-178.970.200110R461 S462 A464 H470 I474R461-M476 CarbonylContact C-O 3.6Å; R461-M476 WeakPolarHBondContact CA-O 3.46Å; S462-M476 PolarHBondContact N-O 3.39Å; S462-M476 PolarHBondContact O-N 2.82Å; A464-M476 HydrophobicContact CB-CG 4.43Å; A464-M476 HydrophobicContact CB-SD 3.79Å; H470-M476 HydrophobicContact CB-SD 4.18Å; I474-M476 PolarHBondContact O-N 2.85Å
477H96.9Very high90.6Very high11 Ų1139.1 Ų39.15%0.05120%0.2CC..EExtended strand (participates in β ladder)trans-67.3136.8165.8-70.3-98.3000109.8R461 R483 E591 Y595R461-H477 VanDerWaalsContact CD-CE1 3.42Å; R461-H477 WeakPolarHBondContact CD-CE1 3.43Å; R461-H477 HydrophobicContact CG-CB 4.45Å; R461-H477 WeakPolarHBondContact CG-ND1 3.27Å; R461-H477 PolarHBondContact NE-NE2 3.08Å; H477-R483 WeakPolarHBondContact O-CD 3.43Å; H477-R483 PolarHBondContact O-NH1 2.98Å; H477-E591 IonicContact NE2-OE1 2.7Å; H477-Y595 HydrophobicContact CB-CD1 4.34Å; H477-Y595 HydrophobicContact CB-CD2 3.96Å; H477-Y595 HydrophobicContact CB-CE1 3.9Å; H477-Y595 HydrophobicContact CB-CE2 3.45Å; H477-Y595 VanDerWaalsContact CB-CE2 3.45Å; H477-Y595 HydrophobicContact CB-CG 4.38Å; H477-Y595 VanDerWaalsContact CB-CZ 3.42Å; H477-Y595 AromaticContact CD2-CD2 3.5Å; H477-Y595 VanDerWaalsContact CD2-CD2 3.5Å; H477-Y595 WeakPolarHBondContact CD2-CD2 3.33Å; H477-Y595 AromaticContact CD2-CE2 3.91Å; H477-Y595 AromaticContact CD2-CG 3.78Å; H477-Y595 VanDerWaalsContact CE1-CB 3.49Å; H477-Y595 WeakPolarHBondContact CE1-CB 3.41Å; H477-Y595 AromaticContact CE1-CD1 3.73Å; H477-Y595 AromaticContact CE1-CG 3.47Å; H477-Y595 VanDerWaalsContact CE1-CG 3.47Å; H477-Y595 AromaticContact CG-CD1 3.79Å; H477-Y595 AromaticContact CG-CD2 3.47Å; H477-Y595 VanDerWaalsContact CG-CD2 3.47Å; H477-Y595 AromaticContact CG-CE1 3.86Å; H477-Y595 AromaticContact CG-CE2 3.53Å; H477-Y595 AromaticContact CG-CG 3.6Å; H477-Y595 AromaticContact CG-CZ 3.74Å; H477-Y595 AromaticContact ND1-CD1 3.32Å; H477-Y595 VanDerWaalsContact ND1-CD1 3.32Å; H477-Y595 WeakPolarHBondContact ND1-CD1 3.38Å; H477-Y595 AromaticContact ND1-CD2 3.82Å; H477-Y595 AromaticContact ND1-CE1 3.68Å; H477-Y595 AromaticContact ND1-CG 3.42Å; H477-Y595 AromaticContact NE2-CD2 3.9Å; H477-Y595 AromaticContact NE2-CG 3.74Å
478D97.6Very high91.8Very high10 Ų1039.1 Ų39.15%0.05320%0.2CC..  trans-146.465.5175.6-153.9-26.6000109.6P285 M460 F480 A481 M482 R483P285-D478 WeakPolarHBondContact CB-OD2 3.43Å; P285-D478 HydrophobicContact CG-CB 3.83Å; M460-D478 VanDerWaalsContact CB-O 3.31Å; M460-D478 WeakPolarHBondContact CB-O 3.31Å; M460-D478 CarbonylContact O-C 3.54Å; M460-D478 PolarHBondContact O-N 2.83Å; D478-F480 PolarHBondContact O-N 3.41Å; D478-A481 PolarHBondContact O-N 3.49Å; D478-A481 VanDerWaalsContact OD1-C 3.24Å; D478-A481 VanDerWaalsContact OD1-CA 3.29Å; D478-A481 WeakPolarHBondContact OD1-CA 3.49Å; D478-M482 PolarHBondContact OD1-N 3.49Å; D478-R483 VanDerWaalsContact CG-NH1 3.31Å; D478-R483 VanDerWaalsContact OD1-CB 3.28Å; D478-R483 WeakPolarHBondContact OD1-CB 3.4Å; D478-R483 PolarHBondContact OD1-N 2.87Å; D478-R483 IonicContact OD2-CZ 3.42Å; D478-R483 IonicContact OD2-NH1 3.7Å; D478-R483 PolarHBondContact OD2-NH1 3.03Å; D478-R483 IonicContact OD2-NH2 3.26Å
479P98.6Very high92.6Very high0 Ų038.6 Ų38.60%020%0.195CC..G310 helixtrans-53.8129-175.821.2-33.9000110.7L113 G457 A481 M482 F486 F490L113-P479 HydrophobicContact CD2-CG 3.83Å; G457-P479 CarbonylContact O-C 3.48Å; G457-P479 VanDerWaalsContact O-CA 3.31Å; G457-P479 WeakPolarHBondContact O-CA 3.46Å; P479-A481 PolarHBondContact O-N 3.38Å; P479-M482 PolarHBondContact O-N 3.19Å; P479-F486 HydrophobicContact CB-CZ 4.32Å; P479-F486 HydrophobicContact CG-CE2 3.89Å; P479-F486 HydrophobicContact CG-CZ 3.97Å; P479-F490 HydrophobicContact CB-CE1 3.88Å; P479-F490 HydrophobicContact CB-CE2 3.79Å; P479-F490 HydrophobicContact CB-CZ 3.28Å; P479-F490 HydrophobicContact CG-CD1 4.5Å; P479-F490 HydrophobicContact CG-CE1 3.91Å; P479-F490 HydrophobicContact CG-CE2 4.17Å; P479-F490 HydrophobicContact CG-CZ 3.75Å
480F98.8Very high93.4Very high0 Ų035.2 Ų35.20%018%0.179CC..G310 helixtrans56.514.9-178.8-68.8-106.9000114.6A283 F433 V454 G457 A458 M460 D478 M482 F490 Y493 L494 W497A283-F480 WeakPolarHBondContact CB-O 3.43Å; F433-F480 HydrophobicContact CE1-CB 4.35Å; F433-F480 AromaticContact CE1-CD1 3.52Å; F433-F480 HydrophobicContact CE1-CD1 3.52Å; F433-F480 HydrophobicContact CE1-CE1 4.02Å; F433-F480 HydrophobicContact CE1-CG 4.08Å; F433-F480 HydrophobicContact CE2-CE1 4.2Å; F433-F480 AromaticContact CZ-CD1 3.4Å; F433-F480 HydrophobicContact CZ-CD1 3.4Å; F433-F480 VanDerWaalsContact CZ-CD1 3.4Å; F433-F480 AromaticContact CZ-CE1 3.38Å; F433-F480 HydrophobicContact CZ-CE1 3.38Å; F433-F480 HydrophobicContact CZ-CG 4.27Å; F433-F480 HydrophobicContact CZ-CZ 4.24Å; V454-F480 HydrophobicContact CB-CZ 4.47Å; V454-F480 HydrophobicContact CG1-CZ 3.91Å; V454-F480 WeakPolarHBondContact O-CE2 3.26Å; V454-F480 WeakPolarHBondContact O-CZ 3.19Å; G457-F480 WeakPolarHBondContact O-CD2 3.48Å; G457-F480 PolarHBondContact O-N 2.9Å; A458-F480 HydrophobicContact CB-CE2 4.14Å; M460-F480 PolarHBondContact SD-N 3.07Å; D478-F480 PolarHBondContact O-N 3.41Å; F480-M482 HydrophobicContact CB-CB 4.17Å; F480-M482 HydrophobicContact CB-CG 4.04Å; F480-M482 WeakPolarHBondContact O-CG 3.4Å; F480-M482 PolarHBondContact O-N 2.74Å; F480-F490 HydrophobicContact CD2-CE2 4.27Å; F480-Y493 HydrophobicContact CB-CE1 4.25Å; F480-Y493 WeakPolarHBondContact CB-OH 3.45Å; F480-Y493 AromaticContact CD1-CE1 3.97Å; F480-Y493 HydrophobicContact CD1-CE1 3.97Å; F480-Y493 WeakPolarHBondContact CD1-OH 3.31Å; F480-Y493 AromaticContact CD2-CE1 3.84Å; F480-Y493 HydrophobicContact CD2-CE1 3.84Å; F480-Y493 HydrophobicContact CE1-CE1 4.28Å; F480-Y493 HydrophobicContact CE2-CE1 4.17Å; F480-Y493 AromaticContact CG-CE1 3.76Å; F480-Y493 HydrophobicContact CG-CE1 3.76Å; F480-Y493 WeakPolarHBondContact CG-OH 3.34Å; F480-Y493 HydrophobicContact CZ-CE1 4.39Å; F480-L494 HydrophobicContact CE2-CD2 3.67Å; F480-L494 HydrophobicContact CZ-CD2 4.29Å; F480-W497 HydrophobicContact CD1-CD2 4.32Å; F480-W497 AromaticContact CD1-CE2 3.87Å; F480-W497 HydrophobicContact CD1-CH2 4.29Å; F480-W497 AromaticContact CD1-CZ2 3.83Å; F480-W497 HydrophobicContact CD1-CZ2 3.83Å; F480-W497 AromaticContact CE1-CD2 3.58Å; F480-W497 HydrophobicContact CE1-CD2 3.58Å; F480-W497 AromaticContact CE1-CE2 3.61Å; F480-W497 AromaticContact CE1-CE3 3.81Å; F480-W497 HydrophobicContact CE1-CE3 3.81Å; F480-W497 HydrophobicContact CE1-CG 4.09Å; F480-W497 HydrophobicContact CE1-CH2 4.07Å; F480-W497 AromaticContact CE1-CZ2 3.84Å; F480-W497 HydrophobicContact CE1-CZ2 3.84Å; F480-W497 HydrophobicContact CE1-CZ3 4.05Å; F480-W497 HydrophobicContact CZ-CD2 4.28Å; F480-W497 HydrophobicContact CZ-CG 4.4Å
481A98.3Very high94.3Very high0 Ų032.5 Ų32.50%017%0.167CC..G310 helixtrans5721.2-165.200000114.2H264 A283 F284 P285 M460 D478 P479H264-A481 PolarHBondContact ND1-O 2.8Å; A283-A481 HydrophobicContact CB-CB 4.17Å; F284-A481 WeakPolarHBondContact O-CB 3.49Å; P285-A481 HydrophobicContact CG-CB 4.2Å; M460-A481 HydrophobicContact CE-CB 4.12Å; D478-A481 PolarHBondContact O-N 3.49Å; D478-A481 VanDerWaalsContact OD1-C 3.24Å; D478-A481 VanDerWaalsContact OD1-CA 3.29Å; D478-A481 WeakPolarHBondContact OD1-CA 3.49Å; P479-A481 PolarHBondContact O-N 3.38Å
482M98.6Very high95.5Very high0 Ų028.2 Ų28.20%015%0.148CC..  trans-108.92.5-171.6-75.8-68.5-78.800113.3L248 H264 D478 P479 F480 P484 F485 F486L248-M482 HydrophobicContact CB-CE 4.5Å; L248-M482 HydrophobicContact CD2-CE 4.2Å; L248-M482 HydrophobicContact CD2-SD 3.97Å; H264-M482 HydrophobicContact CB-CG 4.34Å; H264-M482 HydrophobicContact CB-SD 3.53Å; H264-M482 VanDerWaalsContact CB-SD 3.53Å; H264-M482 PolarHBondContact N-SD 3.27Å; D478-M482 PolarHBondContact OD1-N 3.49Å; P479-M482 PolarHBondContact O-N 3.19Å; F480-M482 HydrophobicContact CB-CB 4.17Å; F480-M482 HydrophobicContact CB-CG 4.04Å; F480-M482 WeakPolarHBondContact O-CG 3.4Å; F480-M482 PolarHBondContact O-N 2.74Å; M482-P484 VanDerWaalsContact C-CD 3.45Å; M482-P484 VanDerWaalsContact C-N 3.32Å; M482-P484 VanDerWaalsContact O-N 3.12Å; M482-F485 HydrophobicContact CE-CB 4.08Å; M482-F485 CarbonylContact O-C 3.58Å; M482-F485 WeakPolarHBondContact O-CA 3.26Å; M482-F485 PolarHBondContact O-N 2.82Å; M482-F485 HydrophobicContact SD-CB 3.86Å; M482-F485 HydrophobicContact SD-CD2 4.34Å; M482-F486 HydrophobicContact CB-CD1 3.88Å; M482-F486 HydrophobicContact CB-CE1 3.35Å; M482-F486 HydrophobicContact CB-CE2 4.16Å; M482-F486 HydrophobicContact CB-CG 4.46Å; M482-F486 HydrophobicContact CB-CZ 3.51Å; M482-F486 HydrophobicContact CG-CE1 4.34Å; M482-F486 WeakPolarHBondContact O-CD2 3.31Å; M482-F486 PolarHBondContact O-N 3.05Å
483R97.6Very high96.6Very high22 Ų2225.7 Ų25.78%0.08312%0.122CC..THydrogen-bonded Turntrans-45.1-48.5-179.2-178.9-165.567.8-110.8-5.3113.6E89 Q112 H477 D478 F485E89-R483 IonicContact OE1-NH2 3.41Å; E89-R483 IonicContact OE2-NE 2.8Å; E89-R483 IonicContact OE2-NH2 3.57Å; Q112-R483 WeakPolarHBondContact O-CD 3.29Å; Q112-R483 WeakPolarHBondContact O-CG 3.16Å; H477-R483 WeakPolarHBondContact O-CD 3.43Å; H477-R483 PolarHBondContact O-NH1 2.98Å; D478-R483 VanDerWaalsContact CG-NH1 3.31Å; D478-R483 VanDerWaalsContact OD1-CB 3.28Å; D478-R483 WeakPolarHBondContact OD1-CB 3.4Å; D478-R483 PolarHBondContact OD1-N 2.87Å; D478-R483 IonicContact OD2-CZ 3.42Å; D478-R483 IonicContact OD2-NH1 3.7Å; D478-R483 PolarHBondContact OD2-NH1 3.03Å; D478-R483 IonicContact OD2-NH2 3.26Å; R483-F485 VanDerWaalsContact C-N 3.27Å; R483-F485 PolarHBondContact O-N 2.9Å
484P96.8Very high97.5Very high17 Ų1718.2 Ų18.211%0.119%0.089CC..THydrogen-bonded Turntrans-87.17.8-178.235.3-34.7000114.1E89 R249 M482E89-P484 HydrophobicContact CG-CB 3.98Å; E89-P484 WeakPolarHBondContact OE1-CB 3.28Å; R249-P484 PolarHBondContact NE-O 3.09Å; R249-P484 VanDerWaalsContact NE-O 3.08Å; R249-P484 PolarHBondContact NH2-O 3.19Å; M482-P484 VanDerWaalsContact C-CD 3.45Å; M482-P484 VanDerWaalsContact C-N 3.32Å; M482-P484 VanDerWaalsContact O-N 3.12Å
485F98.5Very high97.9Very high1 Ų114.7 Ų14.70%0.0048%0.078CC..THydrogen-bonded Turntrans-134.9-3-164.1-54.2-54000115.2K244 L248 R249 H264 M482 R483 G487K244-F485 HydrophobicContact CB-CD1 4.33Å; K244-F485 HydrophobicContact CB-CE1 4Å; K244-F485 HydrophobicContact CD-CD1 4.22Å; K244-F485 HydrophobicContact CD-CE1 3.53Å; K244-F485 HydrophobicContact CD-CZ 3.81Å; K244-F485 HydrophobicContact CG-CE1 3.82Å; K244-F485 HydrophobicContact CG-CZ 4.43Å; L248-F485 HydrophobicContact CB-CB 4.01Å; L248-F485 HydrophobicContact CB-CG 4.48Å; L248-F485 HydrophobicContact CD1-CB 4.13Å; L248-F485 HydrophobicContact CD1-CD1 4.06Å; L248-F485 HydrophobicContact CD1-CD2 3.98Å; L248-F485 HydrophobicContact CD1-CE1 4.44Å; L248-F485 HydrophobicContact CD1-CE2 4.38Å; L248-F485 HydrophobicContact CD1-CG 3.81Å; R249-F485 WeakPolarHBondContact CG-O 3.41Å; H264-F485 HydrophobicContact CB-CD2 4.24Å; H264-F485 AromaticContact CE1-CE2 3.47Å; H264-F485 VanDerWaalsContact CE1-CE2 3.47Å; H264-F485 WeakPolarHBondContact CE1-CE2 3.45Å; H264-F485 AromaticContact CG-CE2 3.86Å; H264-F485 AromaticContact ND1-CD2 3.89Å; H264-F485 AromaticContact ND1-CE2 3.47Å; H264-F485 WeakPolarHBondContact ND1-CE2 3.08Å; H264-F485 AromaticContact NE2-CE2 3.86Å; M482-F485 HydrophobicContact CE-CB 4.08Å; M482-F485 CarbonylContact O-C 3.58Å; M482-F485 WeakPolarHBondContact O-CA 3.26Å; M482-F485 PolarHBondContact O-N 2.82Å; M482-F485 HydrophobicContact SD-CB 3.86Å; M482-F485 HydrophobicContact SD-CD2 4.34Å; R483-F485 VanDerWaalsContact C-N 3.27Å; R483-F485 PolarHBondContact O-N 2.9Å; F485-G487 PolarHBondContact O-N 2.88Å
486F98.8Very high98.2Very high4 Ų413.1 Ų13.12%0.0187%0.069CC..  trans-57.5126.5173-67.2-59.4000110.3I94 L113 P479 M482 Y488 F490 Y493I94-F486 WeakPolarHBondContact CD1-O 3.5Å; L113-F486 HydrophobicContact CD2-CD2 4.32Å; L113-F486 HydrophobicContact CD2-CE2 3.86Å; P479-F486 HydrophobicContact CB-CZ 4.32Å; P479-F486 HydrophobicContact CG-CE2 3.89Å; P479-F486 HydrophobicContact CG-CZ 3.97Å; M482-F486 HydrophobicContact CB-CD1 3.88Å; M482-F486 HydrophobicContact CB-CE1 3.35Å; M482-F486 HydrophobicContact CB-CE2 4.16Å; M482-F486 HydrophobicContact CB-CG 4.46Å; M482-F486 HydrophobicContact CB-CZ 3.51Å; M482-F486 HydrophobicContact CG-CE1 4.34Å; M482-F486 WeakPolarHBondContact O-CD2 3.31Å; M482-F486 PolarHBondContact O-N 3.05Å; F486-Y488 VanDerWaalsContact C-N 3.3Å; F486-F490 HydrophobicContact CD1-CD2 4.21Å; F486-F490 HydrophobicContact CD2-CB 4.35Å; F486-F490 HydrophobicContact CD2-CD2 4.41Å; F486-F490 AromaticContact CE1-CD2 3.48Å; F486-F490 HydrophobicContact CE1-CD2 3.48Å; F486-F490 VanDerWaalsContact CE1-CD2 3.48Å; F486-F490 AromaticContact CE1-CE2 3.94Å; F486-F490 HydrophobicContact CE1-CE2 3.94Å; F486-F490 HydrophobicContact CE1-CG 4.45Å; F486-F490 HydrophobicContact CE2-CB 4.3Å; F486-F490 AromaticContact CE2-CD2 3.71Å; F486-F490 HydrophobicContact CE2-CD2 3.71Å; F486-F490 HydrophobicContact CE2-CE2 4.25Å; F486-F490 HydrophobicContact CE2-CG 4.01Å; F486-F490 AromaticContact CZ-CD2 3.19Å; F486-F490 HydrophobicContact CZ-CD2 3.19Å; F486-F490 AromaticContact CZ-CE2 3.48Å; F486-F490 HydrophobicContact CZ-CE2 3.48Å; F486-F490 VanDerWaalsContact CZ-CE2 3.48Å; F486-F490 AromaticContact CZ-CG 3.98Å; F486-F490 HydrophobicContact CZ-CG 3.98Å; F486-F490 HydrophobicContact CZ-CZ 4.42Å; F486-Y493 HydrophobicContact CD1-CD1 4.46Å; F486-Y493 HydrophobicContact CD1-CD2 4.06Å; F486-Y493 HydrophobicContact CD1-CE2 4.35Å; F486-Y493 HydrophobicContact CD1-CG 4.12Å; F486-Y493 AromaticContact CE1-CD1 3.77Å; F486-Y493 HydrophobicContact CE1-CD1 3.77Å; F486-Y493 HydrophobicContact CE1-CD2 4.06Å; F486-Y493 AromaticContact CE1-CE1 3.82Å; F486-Y493 HydrophobicContact CE1-CE1 3.82Å; F486-Y493 HydrophobicContact CE1-CE2 4.1Å; F486-Y493 AromaticContact CE1-CG 3.89Å; F486-Y493 HydrophobicContact CE1-CG 3.89Å; F486-Y493 AromaticContact CE1-CZ 3.96Å
487G98.6Very high98.5Very high2 Ų211.2 Ų11.22%0.0216%0.06CC..SBendtrans-81.6-9.7174.200000114.4R249 S252 F485R249-G487 WeakPolarHBondContact O-CA 3.35Å; S252-G487 WeakPolarHBondContact OG-CA 3.44Å; S252-G487 PolarHBondContact OG-N 3.27Å; F485-G487 PolarHBondContact O-N 2.88Å
488Y98.9Very high98.6Very high3 Ų311 Ų111%0.0126%0.059CC..SBendtrans-164.6176.1-172.966.3-82.4000110.6D101 T102 S252 R253 K256 F486 F490 K492 Y493D101-Y488 CarbonylContact O-C 3.54Å; D101-Y488 VanDerWaalsContact O-CA 3.31Å; D101-Y488 WeakPolarHBondContact O-CA 3.35Å; D101-Y488 WeakPolarHBondContact O-CB 3.19Å; T102-Y488 CarbonylContact O-C 3.59Å; S252-Y488 WeakPolarHBondContact O-CE1 3.39Å; R253-Y488 HydrophobicContact CB-CD1 4.34Å; K256-Y488 HydrophobicContact CB-CE1 3.98Å; K256-Y488 HydrophobicContact CB-CE2 4.31Å; K256-Y488 HydrophobicContact CD-CD2 3.64Å; K256-Y488 HydrophobicContact CD-CE1 4.35Å; K256-Y488 HydrophobicContact CD-CE2 3.32Å; K256-Y488 HydrophobicContact CD-CG 4.26Å; K256-Y488 HydrophobicContact CG-CE2 4.31Å; F486-Y488 VanDerWaalsContact C-N 3.3Å; Y488-F490 PolarHBondContact O-N 2.83Å; Y488-K492 HydrophobicContact CD2-CB 4.07Å; Y488-K492 HydrophobicContact CE2-CB 3.97Å; Y488-Y493 HydrophobicContact CE1-CD2 4.25Å; Y488-Y493 VanDerWaalsContact CE2-N 3.34Å; Y488-Y493 AromaticContact CZ-CD2 3.94Å; Y488-Y493 WeakPolarHBondContact OH-CA 3.45Å; Y488-Y493 WeakPolarHBondContact OH-CD2 3.19Å
489N98.8Very high98.6Very high1 Ų112.8 Ų12.81%0.0057%0.072CC..  trans-46.9120.1-177.4-176.8-58.7000113.9R100 D101 T102 P104 G491 K492 Y493 D603R100-N489 VanDerWaalsContact O-CB 3.28Å; R100-N489 WeakPolarHBondContact O-CB 3.48Å; R100-N489 PolarHBondContact O-ND2 3.25Å; D101-N489 PolarHBondContact O-N 3.17Å; T102-N489 WeakPolarHBondContact O-CA 3.39Å; T102-N489 PolarHBondContact O-N 3.01Å; P104-N489 WeakPolarHBondContact CA-ND2 3.41Å; N489-G491 VanDerWaalsContact C-N 3.34Å; N489-G491 PolarHBondContact O-N 3.17Å; N489-G491 WeakPolarHBondContact OD1-CA 3.49Å; N489-G491 PolarHBondContact OD1-N 2.98Å; N489-K492 HydrophobicContact CB-CB 4.24Å; N489-K492 HydrophobicContact CB-CG 3.84Å; N489-K492 WeakPolarHBondContact O-CA 3.49Å; N489-K492 WeakPolarHBondContact O-CB 3.37Å; N489-K492 PolarHBondContact O-N 3.37Å; N489-K492 PolarHBondContact OD1-N 3.33Å; N489-K492 VanDerWaalsContact OD1-N 3.14Å; N489-Y493 PolarHBondContact O-N 3.31Å; N489-D603 PolarHBondContact ND2-OD2 3.15Å
490F98.8Very high98.6Very high1 Ų112.9 Ų12.90%0.0047%0.073CC..Hα-helixtrans-60.4-36.1-178.1176.9-130.5000114.2P104 L113 A458 P479 F480 F486 Y488 K492 Y493 L494 I600P104-F490 HydrophobicContact CG-CB 4.23Å; L113-F490 HydrophobicContact CB-CB 4.44Å; L113-F490 HydrophobicContact CD1-CB 4.04Å; L113-F490 HydrophobicContact CD1-CD1 3.7Å; L113-F490 HydrophobicContact CD1-CG 4.28Å; L113-F490 HydrophobicContact CD2-CB 4.18Å; L113-F490 HydrophobicContact CD2-CD1 3.65Å; L113-F490 HydrophobicContact CD2-CE1 4.25Å; L113-F490 HydrophobicContact CD2-CG 3.99Å; L113-F490 HydrophobicContact CG-CB 4.47Å; L113-F490 HydrophobicContact CG-CD1 4.31Å; A458-F490 HydrophobicContact CB-CZ 4.11Å; P479-F490 HydrophobicContact CB-CE1 3.88Å; P479-F490 HydrophobicContact CB-CE2 3.79Å; P479-F490 HydrophobicContact CB-CZ 3.28Å; P479-F490 HydrophobicContact CG-CD1 4.5Å; P479-F490 HydrophobicContact CG-CE1 3.91Å; P479-F490 HydrophobicContact CG-CE2 4.17Å; P479-F490 HydrophobicContact CG-CZ 3.75Å; F480-F490 HydrophobicContact CD2-CE2 4.27Å; F486-F490 HydrophobicContact CD1-CD2 4.21Å; F486-F490 HydrophobicContact CD2-CB 4.35Å; F486-F490 HydrophobicContact CD2-CD2 4.41Å; F486-F490 AromaticContact CE1-CD2 3.48Å; F486-F490 HydrophobicContact CE1-CD2 3.48Å; F486-F490 VanDerWaalsContact CE1-CD2 3.48Å; F486-F490 AromaticContact CE1-CE2 3.94Å; F486-F490 HydrophobicContact CE1-CE2 3.94Å; F486-F490 HydrophobicContact CE1-CG 4.45Å; F486-F490 HydrophobicContact CE2-CB 4.3Å; F486-F490 AromaticContact CE2-CD2 3.71Å; F486-F490 HydrophobicContact CE2-CD2 3.71Å; F486-F490 HydrophobicContact CE2-CE2 4.25Å; F486-F490 HydrophobicContact CE2-CG 4.01Å; F486-F490 AromaticContact CZ-CD2 3.19Å; F486-F490 HydrophobicContact CZ-CD2 3.19Å; F486-F490 AromaticContact CZ-CE2 3.48Å; F486-F490 HydrophobicContact CZ-CE2 3.48Å; F486-F490 VanDerWaalsContact CZ-CE2 3.48Å; F486-F490 AromaticContact CZ-CG 3.98Å; F486-F490 HydrophobicContact CZ-CG 3.98Å; F486-F490 HydrophobicContact CZ-CZ 4.42Å; Y488-F490 PolarHBondContact O-N 2.83Å; F490-K492 VanDerWaalsContact C-N 3.3Å; F490-K492 PolarHBondContact O-N 3Å; F490-Y493 AromaticContact CD2-CD1 3.82Å; F490-Y493 HydrophobicContact CD2-CD1 3.82Å; F490-Y493 HydrophobicContact CD2-CG 4.37Å; F490-Y493 AromaticContact CE2-CD1 3.83Å; F490-Y493 HydrophobicContact CE2-CD1 3.83Å; F490-Y493 HydrophobicContact CE2-CE1 4.26Å; F490-Y493 WeakPolarHBondContact O-CA 3.45Å; F490-Y493 WeakPolarHBondContact O-CB 3.37Å; F490-Y493 PolarHBondContact O-N 3.42Å; F490-Y493 VanDerWaalsContact O-N 3.07Å; F490-L494 HydrophobicContact CD1-CD1 4.37Å; F490-L494 HydrophobicContact CD2-CG 4.22Å; F490-L494 HydrophobicContact CE1-CD1 3.86Å; F490-L494 HydrophobicContact CE1-CG 4.31Å; F490-L494 HydrophobicContact CE2-CD1 4.17Å; F490-L494 HydrophobicContact CE2-CD2 3.68Å; F490-L494 HydrophobicContact CE2-CG 3.7Å; F490-L494 HydrophobicContact CZ-CD1 3.73Å; F490-L494 HydrophobicContact CZ-CD2 3.67Å; F490-L494 HydrophobicContact CZ-CG 3.74Å; F490-L494 WeakPolarHBondContact O-CG 3.24Å; F490-L494 PolarHBondContact O-N 2.83Å; F490-I600 HydrophobicContact CD1-CD1 3.69Å; F490-I600 HydrophobicContact CD1-CG1 3.95Å; F490-I600 HydrophobicContact CE1-CD1 3.49Å; F490-I600 VanDerWaalsContact CE1-CD1 3.49Å; F490-I600 HydrophobicContact CE1-CG1 4.21Å
491G98.8Very high98.6Very high1 Ų114.3 Ų14.31%0.018%0.084CC..Hα-helixtrans-62.8-38.8174.900000112.2N489 Y493 L494 A495 D603 P605N489-G491 VanDerWaalsContact C-N 3.34Å; N489-G491 PolarHBondContact O-N 3.17Å; N489-G491 WeakPolarHBondContact OD1-CA 3.49Å; N489-G491 PolarHBondContact OD1-N 2.98Å; G491-Y493 VanDerWaalsContact C-N 3.32Å; G491-L494 PolarHBondContact O-N 2.76Å; G491-A495 PolarHBondContact O-N 2.8Å; G491-D603 VanDerWaalsContact CA-O 3.23Å; G491-D603 WeakPolarHBondContact CA-O 3.37Å; G491-P605 WeakPolarHBondContact O-CG 3.14Å
492K98.9Very high98.5Very high99 Ų9921.1 Ų21.143%0.4312%0.116SC..Hα-helixtrans-68.5-31.7171.6-54-56.4179.3-167.30112.2Y488 N489 F490 A495 H496 D603Y488-K492 HydrophobicContact CD2-CB 4.07Å; Y488-K492 HydrophobicContact CE2-CB 3.97Å; N489-K492 HydrophobicContact CB-CB 4.24Å; N489-K492 HydrophobicContact CB-CG 3.84Å; N489-K492 WeakPolarHBondContact O-CA 3.49Å; N489-K492 WeakPolarHBondContact O-CB 3.37Å; N489-K492 PolarHBondContact O-N 3.37Å; N489-K492 PolarHBondContact OD1-N 3.33Å; N489-K492 VanDerWaalsContact OD1-N 3.14Å; F490-K492 VanDerWaalsContact C-N 3.3Å; F490-K492 PolarHBondContact O-N 3Å; K492-A495 PolarHBondContact O-N 3.24Å; K492-H496 WeakPolarHBondContact O-CB 3.42Å; K492-H496 PolarHBondContact O-N 3.3Å; K492-D603 IonicContact NZ-OD1 2.84Å
493Y98.9Very high98.3Very high1 Ų124.1 Ų24.10%0.00413%0.127CC..Hα-helixtrans-66-42.5174.5170.9-81.1000111.1E263 F480 F486 Y488 N489 F490 G491 A495 H496 W497E263-Y493 WeakPolarHBondContact OE1-CE2 3.2Å; E263-Y493 PolarHBondContact OE1-OH 2.85Å; E263-Y493 VanDerWaalsContact OE1-OH 3.12Å; E263-Y493 PolarHBondContact OE2-OH 2.99Å; F480-Y493 HydrophobicContact CB-CE1 4.25Å; F480-Y493 WeakPolarHBondContact CB-OH 3.45Å; F480-Y493 AromaticContact CD1-CE1 3.97Å; F480-Y493 HydrophobicContact CD1-CE1 3.97Å; F480-Y493 WeakPolarHBondContact CD1-OH 3.31Å; F480-Y493 AromaticContact CD2-CE1 3.84Å; F480-Y493 HydrophobicContact CD2-CE1 3.84Å; F480-Y493 HydrophobicContact CE1-CE1 4.28Å; F480-Y493 HydrophobicContact CE2-CE1 4.17Å; F480-Y493 AromaticContact CG-CE1 3.76Å; F480-Y493 HydrophobicContact CG-CE1 3.76Å; F480-Y493 WeakPolarHBondContact CG-OH 3.34Å; F480-Y493 HydrophobicContact CZ-CE1 4.39Å; F486-Y493 HydrophobicContact CD1-CD1 4.46Å; F486-Y493 HydrophobicContact CD1-CD2 4.06Å; F486-Y493 HydrophobicContact CD1-CE2 4.35Å; F486-Y493 HydrophobicContact CD1-CG 4.12Å; F486-Y493 AromaticContact CE1-CD1 3.77Å; F486-Y493 HydrophobicContact CE1-CD1 3.77Å; F486-Y493 HydrophobicContact CE1-CD2 4.06Å; F486-Y493 AromaticContact CE1-CE1 3.82Å; F486-Y493 HydrophobicContact CE1-CE1 3.82Å; F486-Y493 HydrophobicContact CE1-CE2 4.1Å; F486-Y493 AromaticContact CE1-CG 3.89Å; F486-Y493 HydrophobicContact CE1-CG 3.89Å; F486-Y493 AromaticContact CE1-CZ 3.96Å; Y488-Y493 HydrophobicContact CE1-CD2 4.25Å; Y488-Y493 VanDerWaalsContact CE2-N 3.34Å; Y488-Y493 AromaticContact CZ-CD2 3.94Å; Y488-Y493 WeakPolarHBondContact OH-CA 3.45Å; Y488-Y493 WeakPolarHBondContact OH-CD2 3.19Å; N489-Y493 PolarHBondContact O-N 3.31Å; F490-Y493 AromaticContact CD2-CD1 3.82Å; F490-Y493 HydrophobicContact CD2-CD1 3.82Å; F490-Y493 HydrophobicContact CD2-CG 4.37Å; F490-Y493 AromaticContact CE2-CD1 3.83Å; F490-Y493 HydrophobicContact CE2-CD1 3.83Å; F490-Y493 HydrophobicContact CE2-CE1 4.26Å; F490-Y493 WeakPolarHBondContact O-CA 3.45Å; F490-Y493 WeakPolarHBondContact O-CB 3.37Å; F490-Y493 PolarHBondContact O-N 3.42Å; F490-Y493 VanDerWaalsContact O-N 3.07Å; G491-Y493 VanDerWaalsContact C-N 3.32Å; Y493-A495 PolarHBondContact O-N 3.36Å; Y493-H496 WeakPolarHBondContact O-CB 3.28Å; Y493-H496 PolarHBondContact O-N 2.77Å; Y493-W497 AromaticContact CD1-CD1 3.82Å; Y493-W497 AromaticContact CE1-CD1 3.39Å; Y493-W497 HydrophobicContact CE1-CG 4.34Å; Y493-W497 AromaticContact CE1-NE1 3.43Å; Y493-W497 AromaticContact CE2-CD1 3.88Å; Y493-W497 AromaticContact CE2-NE1 3.49Å; Y493-W497 AromaticContact CZ-CD1 3.45Å; Y493-W497 VanDerWaalsContact CZ-CD1 3.45Å; Y493-W497 AromaticContact CZ-CE2 3.99Å; Y493-W497 AromaticContact CZ-NE1 2.99Å; Y493-W497 PolarHBondContact O-N 2.67Å; Y493-W497 PolarHBondContact OH-NE1 3.19Å
494L98.9Very high98.2Very high0 Ų029 Ų290%016%0.161CC..Hα-helixtrans-60.7-45.1172.6-67.3172.8000111.6V454 A458 F480 F490 G491 H496 W497 L498 I600 P605 I608V454-L494 HydrophobicContact CG1-CD2 4.01Å; A458-L494 HydrophobicContact CB-CD1 4.35Å; A458-L494 HydrophobicContact CB-CD2 3.63Å; F480-L494 HydrophobicContact CE2-CD2 3.67Å; F480-L494 HydrophobicContact CZ-CD2 4.29Å; F490-L494 HydrophobicContact CD1-CD1 4.37Å; F490-L494 HydrophobicContact CD2-CG 4.22Å; F490-L494 HydrophobicContact CE1-CD1 3.86Å; F490-L494 HydrophobicContact CE1-CG 4.31Å; F490-L494 HydrophobicContact CE2-CD1 4.17Å; F490-L494 HydrophobicContact CE2-CD2 3.68Å; F490-L494 HydrophobicContact CE2-CG 3.7Å; F490-L494 HydrophobicContact CZ-CD1 3.73Å; F490-L494 HydrophobicContact CZ-CD2 3.67Å; F490-L494 HydrophobicContact CZ-CG 3.74Å; F490-L494 WeakPolarHBondContact O-CG 3.24Å; F490-L494 PolarHBondContact O-N 2.83Å; G491-L494 PolarHBondContact O-N 2.76Å; L494-H496 VanDerWaalsContact C-N 3.28Å; L494-H496 PolarHBondContact O-N 2.69Å; L494-W497 PolarHBondContact O-N 3.16Å; L494-L498 VanDerWaalsContact O-CG 3.3Å; L494-L498 WeakPolarHBondContact O-CG 3.39Å; L494-L498 PolarHBondContact O-N 3.44Å; L494-I600 HydrophobicContact CD1-CD1 4.09Å; L494-P605 HydrophobicContact CB-CG 3.76Å; L494-I608 HydrophobicContact CB-CG1 4.45Å; L494-I608 HydrophobicContact CD1-CG1 4.31Å
495A98.9Very high98.2Very high43 Ų4331.9 Ų31.936%0.35519%0.187SC..Hα-helixtrans-59.9-39.1175.400000112.1G491 K492 Y493 L498 S499 P605G491-A495 PolarHBondContact O-N 2.8Å; K492-A495 PolarHBondContact O-N 3.24Å; Y493-A495 PolarHBondContact O-N 3.36Å; A495-L498 PolarHBondContact O-N 3.4Å; A495-S499 WeakPolarHBondContact O-CB 3.47Å; A495-S499 PolarHBondContact O-N 3Å; A495-P605 HydrophobicContact CB-CG 4.22Å
496H98.9Very high98.2Very high19 Ų1933 Ų339%0.08820%0.196CC..Hα-helixtrans-62.6-47.6175.6-174.353.1000111.8A255 W260 K492 Y493 L494 L498 S499 M500A255-H496 PolarHBondContact O-NE2 2.98Å; W260-H496 PolarHBondContact O-NE2 3.15Å; K492-H496 WeakPolarHBondContact O-CB 3.42Å; K492-H496 PolarHBondContact O-N 3.3Å; Y493-H496 WeakPolarHBondContact O-CB 3.28Å; Y493-H496 PolarHBondContact O-N 2.77Å; L494-H496 VanDerWaalsContact C-N 3.28Å; L494-H496 PolarHBondContact O-N 2.69Å; H496-L498 PolarHBondContact O-N 2.96Å; H496-S499 WeakPolarHBondContact O-CB 3.49Å; H496-S499 PolarHBondContact O-N 3.46Å; H496-S499 PolarHBondContact O-OG 3.48Å; H496-M500 WeakPolarHBondContact CE1-CE 3.48Å; H496-M500 VanDerWaalsContact NE2-CE 3.31Å; H496-M500 WeakPolarHBondContact NE2-CE 3.39Å
497W98.9Very high98.2Very high0 Ų038.4 Ų38.40%022%0.22CC..Hα-helixtrans-59.7-43.8174.2-90.581.3000112.9L261 E263 M265 M315 I431 F433 W450 V454 F480 Y493 L494 S499 M500L261-W497 HydrophobicContact CD1-CH2 4.24Å; L261-W497 HydrophobicContact CD1-CZ2 4.12Å; L261-W497 HydrophobicContact CD2-CD2 4.38Å; L261-W497 HydrophobicContact CD2-CG 4.46Å; L261-W497 HydrophobicContact CD2-CZ2 4.45Å; E263-W497 VanDerWaalsContact CD-CZ2 3.5Å; E263-W497 HydrophobicContact CG-CZ2 3.82Å; E263-W497 WeakPolarHBondContact OE1-CZ2 3.48Å; E263-W497 PolarHBondContact OE1-NE1 3.42Å; M265-W497 HydrophobicContact CE-CH2 3.75Å; M265-W497 HydrophobicContact CE-CZ2 4.01Å; M315-W497 HydrophobicContact CE-CH2 4.49Å; I431-W497 HydrophobicContact CD1-CH2 3.98Å; I431-W497 HydrophobicContact CD1-CZ3 3.92Å; F433-W497 HydrophobicContact CZ-CH2 4.48Å; W450-W497 HydrophobicContact CH2-CE3 4.02Å; W450-W497 AromaticContact CH2-CZ3 3.87Å; W450-W497 HydrophobicContact CH2-CZ3 3.87Å; W450-W497 AromaticContact CZ2-CE3 3.71Å; W450-W497 HydrophobicContact CZ2-CE3 3.71Å; W450-W497 HydrophobicContact CZ2-CZ3 4.06Å; W450-W497 PolarHBondContact NE1-O 3.3Å; V454-W497 HydrophobicContact CG1-CB 3.99Å; V454-W497 HydrophobicContact CG2-CB 4.08Å; V454-W497 HydrophobicContact CG2-CE3 4.39Å; F480-W497 HydrophobicContact CD1-CD2 4.32Å; F480-W497 AromaticContact CD1-CE2 3.87Å; F480-W497 HydrophobicContact CD1-CH2 4.29Å; F480-W497 AromaticContact CD1-CZ2 3.83Å; F480-W497 HydrophobicContact CD1-CZ2 3.83Å; F480-W497 AromaticContact CE1-CD2 3.58Å; F480-W497 HydrophobicContact CE1-CD2 3.58Å; F480-W497 AromaticContact CE1-CE2 3.61Å; F480-W497 AromaticContact CE1-CE3 3.81Å; F480-W497 HydrophobicContact CE1-CE3 3.81Å; F480-W497 HydrophobicContact CE1-CG 4.09Å; F480-W497 HydrophobicContact CE1-CH2 4.07Å; F480-W497 AromaticContact CE1-CZ2 3.84Å; F480-W497 HydrophobicContact CE1-CZ2 3.84Å; F480-W497 HydrophobicContact CE1-CZ3 4.05Å; F480-W497 HydrophobicContact CZ-CD2 4.28Å; F480-W497 HydrophobicContact CZ-CG 4.4Å; Y493-W497 AromaticContact CD1-CD1 3.82Å; Y493-W497 AromaticContact CE1-CD1 3.39Å; Y493-W497 HydrophobicContact CE1-CG 4.34Å; Y493-W497 AromaticContact CE1-NE1 3.43Å; Y493-W497 AromaticContact CE2-CD1 3.88Å; Y493-W497 AromaticContact CE2-NE1 3.49Å; Y493-W497 AromaticContact CZ-CD1 3.45Å; Y493-W497 VanDerWaalsContact CZ-CD1 3.45Å; Y493-W497 AromaticContact CZ-CE2 3.99Å; Y493-W497 AromaticContact CZ-NE1 2.99Å; Y493-W497 PolarHBondContact O-N 2.67Å; Y493-W497 PolarHBondContact OH-NE1 3.19Å; L494-W497 PolarHBondContact O-N 3.16Å; W497-S499 VanDerWaalsContact C-N 3.29Å; W497-S499 PolarHBondContact O-N 2.93Å; W497-M500 WeakPolarHBondContact O-CB 3.33Å; W497-M500 WeakPolarHBondContact O-CG 3.38Å; W497-M500 PolarHBondContact O-N 3.29Å
498L98.9Very high98.2Very high8 Ų841.3 Ų41.34%0.04224%0.235CC..Hα-helixtrans-61.9-37.8175.6-70.9165.9000111.9Q451 V454 L494 A495 H496 M500 A501 P605 E607 I608Q451-L498 HydrophobicContact CB-CD2 4.25Å; Q451-L498 HydrophobicContact CG-CD2 4.05Å; V454-L498 HydrophobicContact CB-CD2 4.15Å; V454-L498 HydrophobicContact CG1-CD2 4.22Å; V454-L498 HydrophobicContact CG1-CG 4.16Å; V454-L498 HydrophobicContact CG2-CD2 4.25Å; L494-L498 VanDerWaalsContact O-CG 3.3Å; L494-L498 WeakPolarHBondContact O-CG 3.39Å; L494-L498 PolarHBondContact O-N 3.44Å; A495-L498 PolarHBondContact O-N 3.4Å; H496-L498 PolarHBondContact O-N 2.96Å; L498-M500 PolarHBondContact O-N 3.04Å; L498-M500 VanDerWaalsContact O-N 3.15Å; L498-A501 PolarHBondContact O-N 2.9Å; L498-P605 HydrophobicContact CD1-CB 3.72Å; L498-P605 HydrophobicContact CD1-CG 4.21Å; L498-E607 HydrophobicContact CD1-CB 3.92Å; L498-E607 HydrophobicContact CD1-CG 4.41Å; L498-E607 HydrophobicContact CD2-CB 4.14Å; L498-I608 HydrophobicContact CD1-CD1 4.12Å; L498-I608 HydrophobicContact CD1-CG1 4.09Å; L498-I608 HydrophobicContact CD2-CD1 4.28Å; L498-I608 HydrophobicContact CG-CD1 4.46Å
499S98.7Very high98.2Very high47 Ų4741.6 Ų41.633%0.32924%0.237SC..Hα-helixtrans-61.3-23.6-179.983.50000113.6A495 H496 W497 A501 H502A495-S499 WeakPolarHBondContact O-CB 3.47Å; A495-S499 PolarHBondContact O-N 3Å; H496-S499 WeakPolarHBondContact O-CB 3.49Å; H496-S499 PolarHBondContact O-N 3.46Å; H496-S499 PolarHBondContact O-OG 3.48Å; W497-S499 VanDerWaalsContact C-N 3.29Å; W497-S499 PolarHBondContact O-N 2.93Å; S499-A501 PolarHBondContact O-N 2.85Å; S499-H502 PolarHBondContact O-N 3.4Å
500M98.4Very high98.2Very high2 Ų244.7 Ų44.71%0.0125%0.25CS..G310 helixtrans-59.6-30.9178.6-61.1-59.8157.200112.4L261 F317 W450 H496 W497 L498 H502 R503 L508L261-M500 HydrophobicContact CD2-CE 3.86Å; L261-M500 HydrophobicContact CG-CE 4.15Å; F317-M500 HydrophobicContact CD2-SD 4.14Å; F317-M500 HydrophobicContact CE2-CB 4.01Å; F317-M500 HydrophobicContact CE2-CG 4.29Å; F317-M500 HydrophobicContact CE2-SD 3.98Å; W450-M500 HydrophobicContact CZ2-CB 3.89Å; W450-M500 HydrophobicContact CZ2-CG 4.38Å; H496-M500 WeakPolarHBondContact CE1-CE 3.48Å; H496-M500 VanDerWaalsContact NE2-CE 3.31Å; H496-M500 WeakPolarHBondContact NE2-CE 3.39Å; W497-M500 WeakPolarHBondContact O-CB 3.33Å; W497-M500 WeakPolarHBondContact O-CG 3.38Å; W497-M500 PolarHBondContact O-N 3.29Å; L498-M500 PolarHBondContact O-N 3.04Å; L498-M500 VanDerWaalsContact O-N 3.15Å; M500-H502 PolarHBondContact O-N 2.87Å; M500-R503 PolarHBondContact O-N 2.94Å; M500-R503 PolarHBondContact SD-NE 2.98Å; M500-R503 VanDerWaalsContact SD-NE 3.37Å; M500-L508 HydrophobicContact CB-CD2 4.5Å
501A97.8Very high98.2Very high30 Ų3045 Ų4525%0.24825%0.252CS..G310 helixtrans-68.9-18.3177.200000113.9W450 L498 S499 L508W450-A501 HydrophobicContact CG-CB 4.19Å; L498-A501 PolarHBondContact O-N 2.9Å; S499-A501 PolarHBondContact O-N 2.85Å; A501-L508 HydrophobicContact CB-CD1 3.86Å
502H97.3Very high98.2Very high143 Ų14345 Ų4566%0.66225%0.251SS*.G310 helixtrans-94.91.4-179.7-55.4121.3000112.8S499 M500S499-H502 PolarHBondContact O-N 3.4Å; M500-H502 PolarHBondContact O-N 2.87Å
503R95Very high98.2Very high63 Ų6340.7 Ų40.724%0.23823%0.233CC..SBendtrans-72.9138.1178.4-72.7-174.6177.3-157.8-1.6111.2G259 M500 A505 A506G259-R503 PolarHBondContact O-NH1 2.86Å; G259-R503 PolarHBondContact O-NH2 3.15Å; M500-R503 PolarHBondContact O-N 2.94Å; M500-R503 PolarHBondContact SD-NE 2.98Å; M500-R503 VanDerWaalsContact SD-NE 3.37Å; R503-A505 PolarHBondContact O-N 3.36Å; R503-A506 HydrophobicContact CB-CB 3.93Å; R503-A506 WeakPolarHBondContact O-CB 3.49Å; R503-A506 PolarHBondContact O-N 3.31Å
504P95.1Very high98.2Very high123 Ų12340.7 Ų40.780%0.79923%0.233SC*.THydrogen-bonded Turntrans-54.8133.7175.8-24.734000111.6A506P504-A506 PolarHBondContact O-N 3.37Å
505A96.5Very high98.2Very high78 Ų7840.7 Ų40.765%0.64523%0.233SC*.THydrogen-bonded Turntrans5713.6176.800000116.3G321 R503 K507G321-A505 WeakPolarHBondContact CA-O 3.43Å; R503-A505 PolarHBondContact O-N 3.36Å; A505-K507 PolarHBondContact O-N 3.3Å; A505-K507 VanDerWaalsContact O-N 3.15Å
506A98Very high98.1Very high25 Ų2539.5 Ų39.521%0.20722%0.22CC..  trans-59.9119.1-177.400000112.2F317 R503 P504 L508F317-A506 HydrophobicContact CD1-CB 4.24Å; F317-A506 HydrophobicContact CE1-CB 3.97Å; F317-A506 HydrophobicContact CZ-CB 4.31Å; R503-A506 HydrophobicContact CB-CB 3.93Å; R503-A506 WeakPolarHBondContact O-CB 3.49Å; R503-A506 PolarHBondContact O-N 3.31Å; P504-A506 PolarHBondContact O-N 3.37Å; A506-L508 HydrophobicContact CB-CD2 4.13Å; A506-L508 PolarHBondContact O-N 3.21Å
507K98.6Very high98Very high118 Ų11840.1 Ų40.151%0.51322%0.222SC..BIsolated β-bridgetrans-87.984170.7-59.5178-165.8163.40107.8Q320 G321 N322 A505Q320-K507 WeakPolarHBondContact O-CE 3.5Å; Q320-K507 PolarHBondContact O-NZ 3.15Å; G321-K507 WeakPolarHBondContact O-CB 3.22Å; G321-K507 PolarHBondContact O-N 3.21Å; N322-K507 WeakPolarHBondContact OD1-CD 3.41Å; N322-K507 PolarHBondContact OD1-NZ 3.28Å; A505-K507 PolarHBondContact O-N 3.3Å; A505-K507 VanDerWaalsContact O-N 3.15Å
508L98.6Very high98Very high62 Ų6240.8 Ų40.833%0.32523%0.225SC..PPolyproline II helixtrans-63.6126.3-178.3-59.5175.7000110F317 W450 M500 A501 A506F317-L508 HydrophobicContact CZ-CD2 3.9Å; W450-L508 HydrophobicContact CB-CD1 3.84Å; W450-L508 HydrophobicContact CD2-CB 4.47Å; W450-L508 HydrophobicContact CD2-CD1 4.07Å; W450-L508 HydrophobicContact CD2-CD2 4.09Å; W450-L508 HydrophobicContact CD2-CG 4.44Å; W450-L508 HydrophobicContact CE3-CB 3.87Å; W450-L508 HydrophobicContact CE3-CD1 4.29Å; W450-L508 HydrophobicContact CE3-CD2 4.11Å; W450-L508 HydrophobicContact CE3-CG 4.31Å; W450-L508 HydrophobicContact CG-CD1 3.89Å; W450-L508 HydrophobicContact CH2-CD2 4.49Å; W450-L508 HydrophobicContact CZ2-CD2 4.46Å; W450-L508 HydrophobicContact CZ3-CB 4.27Å; W450-L508 HydrophobicContact CZ3-CD2 4.31Å; M500-L508 HydrophobicContact CB-CD2 4.5Å; A501-L508 HydrophobicContact CB-CD1 3.86Å; A506-L508 HydrophobicContact CB-CD2 4.13Å; A506-L508 PolarHBondContact O-N 3.21Å
509P98.7Very high97.8Very high9 Ų942.8 Ų42.86%0.05823%0.233CC..PPolyproline II helixtrans-65152.5175.926.7-33.5000110.5L323 I428 E429 I431 W450L323-P509 HydrophobicContact CD2-CG 3.96Å; I428-P509 HydrophobicContact CG2-CB 4.24Å; I428-P509 HydrophobicContact CG2-CG 4.47Å; E429-P509 VanDerWaalsContact C-CB 3.44Å; E429-P509 WeakPolarHBondContact O-CA 3.49Å; E429-P509 WeakPolarHBondContact O-CB 3.42Å; I431-P509 HydrophobicContact CD1-CG 3.56Å; I431-P509 HydrophobicContact CG1-CB 4.25Å; I431-P509 HydrophobicContact CG1-CG 3.78Å; W450-P509 HydrophobicContact CH2-CG 4.46Å; W450-P509 HydrophobicContact CZ3-CG 3.94Å
510K98.8Very high97.6Very high67 Ų6742.4 Ų42.429%0.29123%0.227SC..EExtended strand (participates in β ladder)trans-65.7138.3170.4-74.6-173.2173-71.10109.7E429 A430 I431 E446 F512 R543 I544E429-K510 PolarHBondContact O-N 3.23Å; A430-K510 CarbonylContact C-O 3.48Å; A430-K510 VanDerWaalsContact CA-O 3.23Å; A430-K510 WeakPolarHBondContact CA-O 3.26Å; I431-K510 PolarHBondContact N-O 2.99Å; E446-K510 WeakPolarHBondContact OE1-CD 3.34Å; E446-K510 IonicContact OE1-NZ 3.42Å; E446-K510 PolarHBondContact OE1-NZ 2.64Å; K510-F512 HydrophobicContact CB-CD2 4.37Å; K510-F512 HydrophobicContact CB-CE2 3.55Å; K510-F512 HydrophobicContact CB-CZ 3.88Å; K510-F512 HydrophobicContact CD-CZ 4.08Å; K510-R543 WeakPolarHBondContact CE-O 3.23Å; K510-I544 HydrophobicContact CB-CG1 4.44Å; K510-I544 HydrophobicContact CD-CB 4.46Å; K510-I544 HydrophobicContact CD-CG1 3.9Å; K510-I544 HydrophobicContact CG-CG1 4.43Å
511I98.9Very high97.3Very high7 Ų750.3 Ų50.34%0.03627%0.269CS..EExtended strand (participates in β ladder)trans-104.2129.6177-64.4172.5000109.3I431 F433 A447 W450I431-I511 HydrophobicContact CB-CG1 4.34Å; I431-I511 CarbonylContact O-C 3.55Å; I431-I511 WeakPolarHBondContact O-CA 3.47Å; F433-I511 HydrophobicContact CD2-CG2 3.78Å; F433-I511 HydrophobicContact CE2-CG2 3.82Å; A447-I511 HydrophobicContact CB-CB 4.06Å; A447-I511 HydrophobicContact CB-CG2 4.3Å; A447-I511 WeakPolarHBondContact CB-O 3.39Å; A447-I511 PolarHBondContact N-O 2.76Å; W450-I511 HydrophobicContact CD2-CD1 4.18Å; W450-I511 HydrophobicContact CE3-CD1 3.56Å; W450-I511 HydrophobicContact CE3-CG1 4.26Å; W450-I511 HydrophobicContact CH2-CD1 4.31Å; W450-I511 HydrophobicContact CZ3-CD1 3.63Å; W450-I511 HydrophobicContact CZ3-CG1 4.13Å
512F98.9Very high97Very high0 Ų057.4 Ų57.40%030%0.297CS..EExtended strand (participates in β ladder)trans-123.4160.4175.5-58-88.3000110.7A430 I431 I432 F433 Y445 E446 K510 W539 M540 R543A430-F512 HydrophobicContact CB-CD2 4.07Å; A430-F512 HydrophobicContact CB-CE2 3.84Å; I431-F512 PolarHBondContact O-N 3Å; I432-F512 WeakPolarHBondContact CA-O 3.45Å; F433-F512 PolarHBondContact N-O 2.86Å; Y445-F512 CarbonylContact O-C 3.52Å; Y445-F512 VanDerWaalsContact O-CA 3.29Å; Y445-F512 WeakPolarHBondContact O-CA 3.31Å; E446-F512 HydrophobicContact CB-CD1 3.62Å; E446-F512 HydrophobicContact CB-CE1 3.6Å; E446-F512 HydrophobicContact CG-CD1 3.91Å; E446-F512 HydrophobicContact CG-CE1 3.58Å; E446-F512 HydrophobicContact CG-CZ 4.19Å; K510-F512 HydrophobicContact CB-CD2 4.37Å; K510-F512 HydrophobicContact CB-CE2 3.55Å; K510-F512 HydrophobicContact CB-CZ 3.88Å; K510-F512 HydrophobicContact CD-CZ 4.08Å; F512-W539 HydrophobicContact CD1-CH2 4.32Å; F512-W539 AromaticContact CD1-CZ3 3.67Å; F512-W539 HydrophobicContact CD1-CZ3 3.67Å; F512-W539 HydrophobicContact CE1-CE3 4.3Å; F512-W539 HydrophobicContact CE1-CH2 4.11Å; F512-W539 AromaticContact CE1-CZ3 3.6Å; F512-W539 HydrophobicContact CE1-CZ3 3.6Å; F512-M540 HydrophobicContact CB-CE 3.51Å; F512-M540 HydrophobicContact CB-SD 4.3Å; F512-M540 HydrophobicContact CD1-CE 4.23Å; F512-M540 HydrophobicContact CD1-CG 3.88Å; F512-M540 HydrophobicContact CD2-CB 4.41Å; F512-M540 HydrophobicContact CD2-CE 4.37Å; F512-M540 HydrophobicContact CD2-CG 4.01Å; F512-M540 HydrophobicContact CD2-SD 4.08Å; F512-M540 HydrophobicContact CE1-CB 4.3Å; F512-M540 HydrophobicContact CE1-CG 3.9Å; F512-M540 HydrophobicContact CE2-CB 3.99Å; F512-M540 HydrophobicContact CE2-CG 4.03Å; F512-M540 HydrophobicContact CG-CE 3.8Å; F512-M540 HydrophobicContact CG-CG 3.93Å; F512-M540 HydrophobicContact CG-SD 4.08Å; F512-M540 HydrophobicContact CZ-CB 3.93Å; F512-M540 HydrophobicContact CZ-CG 3.97Å; F512-R543 HydrophobicContact CE1-CB 4.29Å; F512-R543 HydrophobicContact CE1-CG 4.45Å; F512-R543 HydrophobicContact CZ-CB 4.08Å
513H98.9Very high96.8Very high9 Ų952.6 Ų52.64%0.04229%0.287CS..EExtended strand (participates in β ladder)trans-129.6136.4166.3-178.6-64.6000110.1F433 V444 Y445 I456F433-H513 HydrophobicContact CB-CB 4.49Å; F433-H513 CarbonylContact O-C 3.58Å; F433-H513 WeakPolarHBondContact O-CA 3.37Å; V444-H513 CarbonylContact C-O 3.48Å; V444-H513 VanDerWaalsContact CA-O 3.26Å; V444-H513 WeakPolarHBondContact CA-O 3.48Å; Y445-H513 HydrophobicContact CD1-CB 4.06Å; Y445-H513 HydrophobicContact CD2-CB 4.33Å; Y445-H513 HydrophobicContact CE1-CB 3.52Å; Y445-H513 AromaticContact CE1-CG 3.53Å; Y445-H513 AromaticContact CE1-ND1 3.35Å; Y445-H513 WeakPolarHBondContact CE1-ND1 3.49Å; Y445-H513 HydrophobicContact CE2-CB 3.81Å; Y445-H513 HydrophobicContact CG-CB 4.44Å; Y445-H513 AromaticContact CZ-CG 3.51Å; Y445-H513 AromaticContact CZ-ND1 3.8Å; Y445-H513 PolarHBondContact N-O 3.27Å; Y445-H513 PolarHBondContact O-N 2.98Å; Y445-H513 VanDerWaalsContact OH-CG 3.29Å; I456-H513 HydrophobicContact CG2-CB 3.67Å
514V98.9Very high96.8Very high1 Ų156.6 Ų56.61%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-121.2155.5-179-62.10000112.2F284 I432 F433 G434 L443 V444 W516 V536 M540F284-V514 HydrophobicContact CE1-CG2 3.54Å; F284-V514 HydrophobicContact CZ-CG2 3.65Å; I432-V514 HydrophobicContact CG2-CB 4.36Å; I432-V514 HydrophobicContact CG2-CG1 3.75Å; I432-V514 HydrophobicContact CG2-CG2 3.75Å; F433-V514 WeakPolarHBondContact O-CG2 3.49Å; F433-V514 PolarHBondContact O-N 3.47Å; G434-V514 VanDerWaalsContact CA-O 3.26Å; G434-V514 WeakPolarHBondContact CA-O 3.46Å; L443-V514 CarbonylContact O-C 3.54Å; L443-V514 WeakPolarHBondContact O-CA 3.22Å; V444-V514 HydrophobicContact CB-CG1 4.2Å; V444-V514 HydrophobicContact CG2-CG1 3.95Å; V514-W516 HydrophobicContact CB-CD2 4.45Å; V514-W516 HydrophobicContact CB-CH2 3.78Å; V514-W516 HydrophobicContact CB-CZ2 3.66Å; V514-W516 HydrophobicContact CB-CZ3 4.21Å; V514-W516 HydrophobicContact CG1-CH2 3.69Å; V514-W516 HydrophobicContact CG1-CZ2 3.84Å; V514-W516 HydrophobicContact CG1-CZ3 4.39Å; V514-W516 HydrophobicContact CG2-CD2 4.41Å; V514-W516 HydrophobicContact CG2-CH2 4.15Å; V514-W516 HydrophobicContact CG2-CZ2 3.49Å; V514-W516 VanDerWaalsContact CG2-CZ2 3.49Å; V514-V536 HydrophobicContact CG1-CG1 4.16Å; V514-M540 HydrophobicContact CG1-CE 3.37Å
515N98.6Very high96.8Very high1 Ų155.4 Ų55.41%0.00529%0.288CS..  trans-140.6101.4170.3-179.921.3000110.8G435 R437 V441 P442 L443 F517G435-N515 PolarHBondContact O-OD1 2.86Å; R437-N515 PolarHBondContact N-OD1 3.27Å; R437-N515 PolarHBondContact O-ND2 3.2Å; R437-N515 PolarHBondContact O-OD1 2.85Å; V441-N515 HydrophobicContact CB-CB 4.38Å; V441-N515 HydrophobicContact CG1-CB 4.01Å; V441-N515 PolarHBondContact O-ND2 2.8Å; P442-N515 WeakPolarHBondContact O-CB 3.45Å; L443-N515 PolarHBondContact O-N 3.41Å; N515-F517 PolarHBondContact O-N 3.49Å; N515-F517 PolarHBondContact OD1-N 3.29Å
516W98.2Very high96.9Very high18 Ų1853 Ų537%0.06826%0.264CS..THydrogen-bonded Turntrans-76.5-8.6176-45.3129.9000113.5L443 V514 W527 N533 V536L443-W516 HydrophobicContact CD1-CE3 3.63Å; L443-W516 HydrophobicContact CD1-CZ3 3.69Å; L443-W516 HydrophobicContact CG-CZ3 4.36Å; V514-W516 HydrophobicContact CB-CD2 4.45Å; V514-W516 HydrophobicContact CB-CH2 3.78Å; V514-W516 HydrophobicContact CB-CZ2 3.66Å; V514-W516 HydrophobicContact CB-CZ3 4.21Å; V514-W516 HydrophobicContact CG1-CH2 3.69Å; V514-W516 HydrophobicContact CG1-CZ2 3.84Å; V514-W516 HydrophobicContact CG1-CZ3 4.39Å; V514-W516 HydrophobicContact CG2-CD2 4.41Å; V514-W516 HydrophobicContact CG2-CH2 4.15Å; V514-W516 HydrophobicContact CG2-CZ2 3.49Å; V514-W516 VanDerWaalsContact CG2-CZ2 3.49Å; W516-W527 AromaticContact CE3-CD1 3.87Å; W516-W527 AromaticContact CE3-NE1 3.94Å; W516-N533 HydrophobicContact CH2-CB 4.04Å; W516-N533 HydrophobicContact CZ2-CB 4.28Å; W516-N533 HydrophobicContact CZ3-CB 4.25Å; W516-N533 WeakPolarHBondContact CZ3-OD1 3.24Å; W516-V536 HydrophobicContact CH2-CB 3.91Å; W516-V536 HydrophobicContact CH2-CG1 3.78Å; W516-V536 HydrophobicContact CH2-CG2 4.25Å; W516-V536 HydrophobicContact CZ3-CB 4.05Å; W516-V536 HydrophobicContact CZ3-CG1 4.14Å; W516-V536 HydrophobicContact CZ3-CG2 3.87Å
517F97.3Very high96.8Very high32 Ų3252 Ų5214%0.1426%0.255CS..THydrogen-bonded Turntrans-1179.1-158.7-56.7-81000113.7R436 R437 P438 N515 K519 F525R436-F517 HydrophobicContact CB-CB 4.33Å; R436-F517 HydrophobicContact CB-CD2 4.16Å; R436-F517 HydrophobicContact CB-CG 4.16Å; R436-F517 HydrophobicContact CG-CB 4.4Å; R436-F517 HydrophobicContact CG-CD1 3.91Å; R436-F517 HydrophobicContact CG-CD2 3.65Å; R436-F517 HydrophobicContact CG-CE1 4.02Å; R436-F517 HydrophobicContact CG-CE2 3.76Å; R436-F517 HydrophobicContact CG-CG 3.71Å; R436-F517 HydrophobicContact CG-CZ 3.94Å; R437-F517 CarbonylContact O-C 3.5Å; P438-F517 WeakPolarHBondContact CA-O 3.24Å; N515-F517 PolarHBondContact O-N 3.49Å; N515-F517 PolarHBondContact OD1-N 3.29Å; F517-K519 PolarHBondContact O-N 3Å; F517-F525 HydrophobicContact CB-CE1 4.04Å; F517-F525 AromaticContact CD1-CE1 3.99Å; F517-F525 HydrophobicContact CD1-CE1 3.99Å; F517-F525 HydrophobicContact CD1-CZ 4.3Å
518R97.4Very high96.8Very high14 Ų1449.2 Ų49.25%0.05325%0.249CC..  trans-60.2136.1173.7-161.1179.3173152.43.6109.6R437 F525 L526 E576 L577 E579R437-R518 WeakPolarHBondContact O-CA 3.44Å; R437-R518 PolarHBondContact O-N 2.92Å; R518-F525 WeakPolarHBondContact O-CA 3.25Å; R518-L526 HydrophobicContact CB-CD1 4.24Å; R518-L526 HydrophobicContact CG-CD1 3.78Å; R518-L526 PolarHBondContact O-N 3.05Å; R518-E576 PolarHBondContact NE-O 2.92Å; R518-E576 PolarHBondContact NH1-O 3.27Å; R518-E576 VanDerWaalsContact NH1-O 3.11Å; R518-E576 PolarHBondContact NH2-O 3.19Å; R518-E576 VanDerWaalsContact NH2-O 3.12Å; R518-L577 PolarHBondContact NH1-O 2.99Å; R518-E579 PolarHBondContact NH1-O 2.74Å; R518-E579 IonicContact NH2-OE2 3.67Å; R518-E579 PolarHBondContact NH2-OE2 3.22Å
519K95.9Very high96.7Very high50 Ų5046.7 Ų46.722%0.21724%0.238CC..BIsolated β-bridgetrans-119.2152.3-178.5-69.6172177.7177.10111P438 F517 G523 K524 F525P438-K519 HydrophobicContact CB-CD 4.21Å; P438-K519 PolarHBondContact O-N 2.92Å; F517-K519 PolarHBondContact O-N 3Å; K519-G523 WeakPolarHBondContact CD-O 3.31Å; K519-K524 CarbonylContact C-O 3.18Å; K519-K524 WeakPolarHBondContact CA-O 3.31Å; K519-K524 WeakPolarHBondContact CB-O 3.29Å; K519-F525 HydrophobicContact CD-CE1 4.36Å; K519-F525 HydrophobicContact CG-CD1 3.81Å; K519-F525 HydrophobicContact CG-CE1 4.06Å
520D93.9Very high96.6Very high38 Ų3851.2 Ų51.220%0.20326%0.255CS..  trans-76.1178.7167.265.318.7000111.4Q522 G523 K524 L526D520-Q522 PolarHBondContact O-N 2.75Å; D520-Q522 VanDerWaalsContact O-N 3.15Å; D520-Q522 VanDerWaalsContact OD1-C 3.28Å; D520-Q522 VanDerWaalsContact OD1-CA 3.28Å; D520-Q522 WeakPolarHBondContact OD1-CA 3.47Å; D520-Q522 WeakPolarHBondContact OD1-CB 3.48Å; D520-Q522 PolarHBondContact OD1-N 3.4Å; D520-G523 PolarHBondContact O-N 2.72Å; D520-G523 PolarHBondContact OD1-N 2.82Å; D520-K524 PolarHBondContact N-O 3.45Å; D520-K524 PolarHBondContact OD1-N 3.29Å; D520-K524 WeakPolarHBondContact OD2-CB 3.45Å; D520-L526 HydrophobicContact CB-CD2 3.75Å; D520-L526 HydrophobicContact CB-CG 4.48Å
521N91.8Very high96.6Very high168 Ų16848.9 Ų48.990%0.89825%0.25SS*.THydrogen-bonded Turntrans-64.7-13.2176.9-65.5-29000114
522Q92.7Very high96.5Very high179 Ų17950.7 Ų50.784%0.83626%0.259SS*.THydrogen-bonded Turntrans-94.2-0.5174.7-58.2-178.74.100112D520 K524D520-Q522 PolarHBondContact O-N 2.75Å; D520-Q522 VanDerWaalsContact O-N 3.15Å; D520-Q522 VanDerWaalsContact OD1-C 3.28Å; D520-Q522 VanDerWaalsContact OD1-CA 3.28Å; D520-Q522 WeakPolarHBondContact OD1-CA 3.47Å; D520-Q522 WeakPolarHBondContact OD1-CB 3.48Å; D520-Q522 PolarHBondContact OD1-N 3.4Å; Q522-K524 VanDerWaalsContact C-N 3.32Å
523G92Very high96.5Very high43 Ų4351.1 Ų51.144%0.44326%0.261SS..SBendtrans79.610.4-178.700000114.4K519 D520K519-G523 WeakPolarHBondContact CD-O 3.31Å; D520-G523 PolarHBondContact O-N 2.72Å; D520-G523 PolarHBondContact OD1-N 2.82Å
524K94.5Very high96.5Very high146 Ų14650.8 Ų50.864%0.63526%0.259SS*.  trans-86.1142.3176.1-176.7-174.5176.9-1740109.9K519 D520 Q522 L526K519-K524 CarbonylContact C-O 3.18Å; K519-K524 WeakPolarHBondContact CA-O 3.31Å; K519-K524 WeakPolarHBondContact CB-O 3.29Å; D520-K524 PolarHBondContact N-O 3.45Å; D520-K524 PolarHBondContact OD1-N 3.29Å; D520-K524 WeakPolarHBondContact OD2-CB 3.45Å; Q522-K524 VanDerWaalsContact C-N 3.32Å; K524-L526 PolarHBondContact O-N 3.18Å
525F96.3Very high96.5Very high98 Ų9851.4 Ų51.443%0.4326%0.261SS..BIsolated β-bridgetrans-64.2131176.1-67-64.9000111.3F517 R518 K519 W527F517-F525 HydrophobicContact CB-CE1 4.04Å; F517-F525 AromaticContact CD1-CE1 3.99Å; F517-F525 HydrophobicContact CD1-CE1 3.99Å; F517-F525 HydrophobicContact CD1-CZ 4.3Å; R518-F525 WeakPolarHBondContact O-CA 3.25Å; K519-F525 HydrophobicContact CD-CE1 4.36Å; K519-F525 HydrophobicContact CG-CD1 3.81Å; K519-F525 HydrophobicContact CG-CE1 4.06Å; F525-W527 VanDerWaalsContact C-N 3.29Å
526L97.2Very high96.5Very high27 Ų2751.3 Ų51.314%0.14126%0.261CS..SBendtrans-73.1-25.2176.2-68.7177000112.5R518 D520 K524 E576 L577R518-L526 HydrophobicContact CB-CD1 4.24Å; R518-L526 HydrophobicContact CG-CD1 3.78Å; R518-L526 PolarHBondContact O-N 3.05Å; D520-L526 HydrophobicContact CB-CD2 3.75Å; D520-L526 HydrophobicContact CB-CG 4.48Å; K524-L526 PolarHBondContact O-N 3.18Å; L526-E576 HydrophobicContact CD1-CG 3.8Å; L526-E576 HydrophobicContact CD2-CG 4.3Å; L526-L577 HydrophobicContact CB-CD1 3.92Å
527W97.9Very high96.5Very high5 Ų550.5 Ų50.52%0.01926%0.258CS..SBendtrans-116.1132.7-179-174.5-111.4000110.8L443 W516 F525 G529 E532 N533 R535 V536 L566 L569 I572 L577L443-W527 HydrophobicContact CD1-CB 4Å; L443-W527 HydrophobicContact CD1-CD2 3.73Å; L443-W527 HydrophobicContact CD1-CE3 4.38Å; L443-W527 HydrophobicContact CD1-CG 3.51Å; L443-W527 HydrophobicContact CD2-CD2 3.96Å; L443-W527 HydrophobicContact CD2-CE3 3.9Å; L443-W527 HydrophobicContact CD2-CH2 4.26Å; L443-W527 HydrophobicContact CD2-CZ2 4.29Å; L443-W527 HydrophobicContact CD2-CZ3 4.06Å; W516-W527 AromaticContact CE3-CD1 3.87Å; W516-W527 AromaticContact CE3-NE1 3.94Å; F525-W527 VanDerWaalsContact C-N 3.29Å; W527-G529 VanDerWaalsContact C-N 3.28Å; W527-G529 PolarHBondContact O-N 3.37Å; W527-E532 HydrophobicContact CZ2-CB 4.02Å; W527-E532 WeakPolarHBondContact CZ2-O 3.3Å; W527-N533 PolarHBondContact NE1-OD1 3.33Å; W527-R535 HydrophobicContact CH2-CB 4.36Å; W527-V536 HydrophobicContact CZ2-CG2 4.26Å; W527-L566 HydrophobicContact CH2-CD2 4.42Å; W527-L566 HydrophobicContact CZ3-CD2 4.17Å; W527-L569 HydrophobicContact CH2-CD1 4.1Å; W527-L569 HydrophobicContact CZ3-CD1 4.28Å; W527-I572 HydrophobicContact CE3-CD1 3.59Å; W527-I572 HydrophobicContact CE3-CG2 4.46Å; W527-I572 HydrophobicContact CZ3-CD1 3.49Å; W527-I572 VanDerWaalsContact CZ3-CD1 3.49Å; W527-L577 HydrophobicContact CB-CD1 4.38Å; W527-L577 HydrophobicContact CE3-CD2 3.78Å; W527-L577 HydrophobicContact CZ3-CD2 4.38Å
528P96.6Very high96.6Very high60 Ų6050.5 Ų50.539%0.3926%0.259SS..  trans-66.5-25.4-179.224.3-35.2000114.1E532 L569 I572P528-E532 HydrophobicContact CB-CG 4.06Å; P528-E532 HydrophobicContact CG-CB 3.82Å; P528-E532 HydrophobicContact CG-CG 3.67Å; P528-L569 HydrophobicContact CG-CD1 4.06Å; P528-L569 HydrophobicContact CG-CD2 4.03Å; P528-I572 HydrophobicContact CG-CD1 4.17Å
529G96.8Very high96.7Very high9 Ų949.9 Ų49.99%0.09326%0.256CS..  trans72-160.2176.600000114.3W527 G531 E532 N533W527-G529 VanDerWaalsContact C-N 3.28Å; W527-G529 PolarHBondContact O-N 3.37Å; G529-G531 PolarHBondContact O-N 2.85Å; G529-E532 WeakPolarHBondContact O-CB 3.34Å; G529-E532 PolarHBondContact O-N 2.78Å; G529-N533 WeakPolarHBondContact CA-OD1 3.31Å
530Y97.1Very high96.8Very high103 Ų10347.5 Ų47.540%0.40425%0.246SC..G310 helixtrans50.2-124.8175.9-52.3-71.8000112.5T343 E532 N533T343-Y530 HydrophobicContact CG2-CD1 4.07Å; T343-Y530 HydrophobicContact CG2-CD2 4.44Å; T343-Y530 HydrophobicContact CG2-CE1 3.52Å; T343-Y530 HydrophobicContact CG2-CE2 3.92Å; T343-Y530 HydrophobicContact CG2-CG 4.49Å; T343-Y530 VanDerWaalsContact CG2-CZ 3.42Å; T343-Y530 WeakPolarHBondContact O-CD1 3.41Å; Y530-E532 PolarHBondContact O-N 2.91Å; Y530-E532 VanDerWaalsContact O-N 3.17Å; Y530-N533 VanDerWaalsContact O-CB 3.22Å; Y530-N533 WeakPolarHBondContact O-CB 3.41Å; Y530-N533 PolarHBondContact O-N 3.43Å
531G98.1Very high97Very high19 Ų1945.7 Ų45.720%0.19624%0.236CC..G310 helixtrans-58.6-26.8-179.500000114.3N297 S299 G529 N533 S534N297-G531 WeakPolarHBondContact O-CA 3.39Å; S299-G531 PolarHBondContact N-O 2.9Å; S299-G531 VanDerWaalsContact N-O 3.09Å; S299-G531 PolarHBondContact OG-O 2.83Å; G529-G531 PolarHBondContact O-N 2.85Å; G531-N533 PolarHBondContact O-N 3.43Å; G531-S534 VanDerWaalsContact O-CB 3.29Å; G531-S534 WeakPolarHBondContact O-CB 3.35Å; G531-S534 PolarHBondContact O-N 2.98Å; G531-S534 PolarHBondContact O-OG 2.96Å
532E98.4Very high97.3Very high45 Ų4539.7 Ų39.721%0.2120%0.204CC..G310 helixtrans-70.6-19.9177.8-55.3-56.7154.500112.5S299 W527 P528 G529 Y530 S534 R535 L569S299-E532 VanDerWaalsContact CB-CD 3.48Å; S299-E532 VanDerWaalsContact CB-OE1 3.23Å; S299-E532 WeakPolarHBondContact CB-OE1 3.34Å; S299-E532 WeakPolarHBondContact CB-OE2 3.44Å; S299-E532 WeakPolarHBondContact OG-CA 3.22Å; S299-E532 PolarHBondContact OG-OE1 3.1Å; S299-E532 PolarHBondContact OG-OE2 2.83Å; W527-E532 HydrophobicContact CZ2-CB 4.02Å; W527-E532 WeakPolarHBondContact CZ2-O 3.3Å; P528-E532 HydrophobicContact CB-CG 4.06Å; P528-E532 HydrophobicContact CG-CB 3.82Å; P528-E532 HydrophobicContact CG-CG 3.67Å; G529-E532 WeakPolarHBondContact O-CB 3.34Å; G529-E532 PolarHBondContact O-N 2.78Å; Y530-E532 PolarHBondContact O-N 2.91Å; Y530-E532 VanDerWaalsContact O-N 3.17Å; E532-S534 PolarHBondContact O-N 3.46Å; E532-R535 WeakPolarHBondContact O-CB 3.35Å; E532-R535 WeakPolarHBondContact O-CG 3.47Å; E532-R535 PolarHBondContact O-N 3.37Å; E532-R535 IonicContact OE2-CZ 3.52Å; E532-R535 VanDerWaalsContact OE2-CZ 3.26Å; E532-R535 IonicContact OE2-NE 2.89Å; E532-R535 PolarHBondContact OE2-NE 2.96Å; E532-R535 IonicContact OE2-NH2 2.65Å; E532-R535 PolarHBondContact OE2-NH2 3.1Å; E532-L569 HydrophobicContact CB-CD1 4.23Å; E532-L569 HydrophobicContact CG-CD1 4.14Å
533N98.6Very high97.6Very high9 Ų933.1 Ų33.15%0.04817%0.172CC..G310 helixtrans-58.7-18.8172.7-66.7-14.2000112.4L293 M296 W516 W527 G529 Y530 G531 R535 V536 L537L293-N533 HydrophobicContact CD1-CB 4.22Å; M296-N533 HydrophobicContact SD-CB 3.92Å; W516-N533 HydrophobicContact CH2-CB 4.04Å; W516-N533 HydrophobicContact CZ2-CB 4.28Å; W516-N533 HydrophobicContact CZ3-CB 4.25Å; W516-N533 WeakPolarHBondContact CZ3-OD1 3.24Å; W527-N533 PolarHBondContact NE1-OD1 3.33Å; G529-N533 WeakPolarHBondContact CA-OD1 3.31Å; Y530-N533 VanDerWaalsContact O-CB 3.22Å; Y530-N533 WeakPolarHBondContact O-CB 3.41Å; Y530-N533 PolarHBondContact O-N 3.43Å; G531-N533 PolarHBondContact O-N 3.43Å; N533-R535 PolarHBondContact O-N 2.87Å; N533-V536 WeakPolarHBondContact O-CB 3.35Å; N533-V536 PolarHBondContact O-N 3.33Å; N533-L537 PolarHBondContact O-N 2.69Å
534S98.7Very high97.9Very high1 Ų132.6 Ų32.61%0.00716%0.158CC..Hα-helixtrans-53.7-31.2170.361.10000113.5S299 L300 G531 E532 V536 L537 E538S299-S534 PolarHBondContact N-OG 3.48Å; S299-S534 PolarHBondContact OG-OG 3.38Å; L300-S534 PolarHBondContact N-OG 3.11Å; G531-S534 VanDerWaalsContact O-CB 3.29Å; G531-S534 WeakPolarHBondContact O-CB 3.35Å; G531-S534 PolarHBondContact O-N 2.98Å; G531-S534 PolarHBondContact O-OG 2.96Å; E532-S534 PolarHBondContact O-N 3.46Å; S534-V536 VanDerWaalsContact C-N 3.34Å; S534-V536 PolarHBondContact O-N 2.87Å; S534-L537 PolarHBondContact O-N 3.28Å; S534-E538 WeakPolarHBondContact O-CB 3.36Å; S534-E538 PolarHBondContact O-N 3.34Å
535R98.4Very high98Very high14 Ų1428.2 Ų28.25%0.05314%0.14CC..Hα-helixtrans-67.1-34.4175.9-61.5163.4-171.7-85.35.1112.9L300 W527 E532 N533 W539 N565 K567L300-R535 HydrophobicContact CD1-CB 4.33Å; L300-R535 HydrophobicContact CD1-CG 3.83Å; L300-R535 HydrophobicContact CD2-CG 3.89Å; L300-R535 HydrophobicContact CG-CG 3.8Å; W527-R535 HydrophobicContact CH2-CB 4.36Å; E532-R535 WeakPolarHBondContact O-CB 3.35Å; E532-R535 WeakPolarHBondContact O-CG 3.47Å; E532-R535 PolarHBondContact O-N 3.37Å; E532-R535 IonicContact OE2-CZ 3.52Å; E532-R535 VanDerWaalsContact OE2-CZ 3.26Å; E532-R535 IonicContact OE2-NE 2.89Å; E532-R535 PolarHBondContact OE2-NE 2.96Å; E532-R535 IonicContact OE2-NH2 2.65Å; E532-R535 PolarHBondContact OE2-NH2 3.1Å; N533-R535 PolarHBondContact O-N 2.87Å; R535-W539 PolarHBondContact O-N 2.86Å; R535-N565 WeakPolarHBondContact CD-O 3.28Å; R535-N565 WeakPolarHBondContact CG-O 3.37Å; R535-N565 PolarHBondContact NH1-O 3.42Å; R535-N565 PolarHBondContact NH1-OD1 3.14Å; R535-K567 PolarHBondContact NH1-O 3.32Å; R535-K567 PolarHBondContact NH2-O 2.9Å
536V98.8Very high98Very high0 Ų026.5 Ų26.50%015%0.15CC..Hα-helixtrans-75-39.41751750000110.3L443 V444 V514 W516 W527 N533 S534 W539 M540L443-V536 HydrophobicContact CD1-CG2 4.37Å; L443-V536 HydrophobicContact CD2-CG2 3.46Å; L443-V536 VanDerWaalsContact CD2-CG2 3.46Å; L443-V536 HydrophobicContact CG-CG2 3.86Å; V444-V536 HydrophobicContact CB-CG1 3.73Å; V444-V536 HydrophobicContact CG1-CG1 3.97Å; V444-V536 HydrophobicContact CG2-CG1 3.8Å; V514-V536 HydrophobicContact CG1-CG1 4.16Å; W516-V536 HydrophobicContact CH2-CB 3.91Å; W516-V536 HydrophobicContact CH2-CG1 3.78Å; W516-V536 HydrophobicContact CH2-CG2 4.25Å; W516-V536 HydrophobicContact CZ3-CB 4.05Å; W516-V536 HydrophobicContact CZ3-CG1 4.14Å; W516-V536 HydrophobicContact CZ3-CG2 3.87Å; W527-V536 HydrophobicContact CZ2-CG2 4.26Å; N533-V536 WeakPolarHBondContact O-CB 3.35Å; N533-V536 PolarHBondContact O-N 3.33Å; S534-V536 VanDerWaalsContact C-N 3.34Å; S534-V536 PolarHBondContact O-N 2.87Å; V536-W539 PolarHBondContact O-N 3.44Å; V536-M540 HydrophobicContact CG1-CE 3.82Å; V536-M540 WeakPolarHBondContact O-CG 3.09Å; V536-M540 PolarHBondContact O-N 2.94Å
537L98.8Very high97.8Very high0 Ų030.9 Ų30.90%017%0.168CC..Hα-helixtrans-66.2-36.4174.7-59-167.6000112.4L268 I270 F280 L293 M296 I305 I432 N533 S534 W539 M540 F541L268-L537 HydrophobicContact CD1-CD1 4.4Å; L268-L537 HydrophobicContact CD2-CD1 4.34Å; I270-L537 HydrophobicContact CD1-CB 3.49Å; I270-L537 VanDerWaalsContact CD1-CB 3.49Å; I270-L537 HydrophobicContact CD1-CD1 4.05Å; I270-L537 HydrophobicContact CD1-CG 4.45Å; F280-L537 HydrophobicContact CD2-CD2 4.16Å; F280-L537 HydrophobicContact CE2-CB 4.38Å; F280-L537 HydrophobicContact CE2-CD2 4.33Å; L293-L537 HydrophobicContact CD1-CD1 4.08Å; M296-L537 HydrophobicContact CE-CD1 3.52Å; M296-L537 HydrophobicContact CE-CG 4.32Å; I305-L537 HydrophobicContact CD1-CD1 3.91Å; I432-L537 HydrophobicContact CD1-CD2 3.9Å; N533-L537 PolarHBondContact O-N 2.69Å; S534-L537 PolarHBondContact O-N 3.28Å; L537-W539 VanDerWaalsContact C-N 3.34Å; L537-W539 PolarHBondContact O-N 3.42Å; L537-M540 HydrophobicContact CD2-SD 3.9Å; L537-M540 PolarHBondContact O-N 3.49Å; L537-F541 VanDerWaalsContact O-CB 3.27Å; L537-F541 WeakPolarHBondContact O-CB 3.17Å; L537-F541 PolarHBondContact O-N 2.96Å
538E98.8Very high97.6Very high33 Ų3331.2 Ų31.215%0.15417%0.172CC..Hα-helixtrans-56.5-47.5171164.3175.2-11300111L300 W303 S534 F541 N542 N565L300-E538 HydrophobicContact CD1-CB 3.99Å; L300-E538 HydrophobicContact CD1-CG 4.49Å; L300-E538 WeakPolarHBondContact CD1-OE2 3.37Å; W303-E538 HydrophobicContact CH2-CB 3.94Å; W303-E538 HydrophobicContact CH2-CG 4.14Å; W303-E538 HydrophobicContact CZ2-CB 3.55Å; W303-E538 HydrophobicContact CZ2-CG 3.46Å; W303-E538 VanDerWaalsContact CZ2-CG 3.46Å; W303-E538 PolarHBondContact NE1-OE1 3.35Å; S534-E538 WeakPolarHBondContact O-CB 3.36Å; S534-E538 PolarHBondContact O-N 3.34Å; E538-F541 WeakPolarHBondContact O-CB 3.5Å; E538-F541 PolarHBondContact O-N 3.38Å; E538-N542 WeakPolarHBondContact O-CB 3.32Å; E538-N542 PolarHBondContact O-N 3.27Å; E538-N542 PolarHBondContact O-ND2 2.92Å; E538-N565 WeakPolarHBondContact OE2-CB 3.45Å
539W98.7Very high97.3Very high1 Ų132.3 Ų32.30%0.00418%0.181CC..Hα-helixtrans-60.9-47.5176.2177.780.4000111.6V444 E446 F512 R535 V536 L537 F541 N542 R543 S549 A550 P559 L564V444-W539 HydrophobicContact CG1-CE3 4.12Å; V444-W539 HydrophobicContact CG1-CZ3 4.15Å; V444-W539 HydrophobicContact CG2-CE3 3.97Å; V444-W539 HydrophobicContact CG2-CZ3 3.58Å; E446-W539 HydrophobicContact CB-CH2 4.03Å; F512-W539 HydrophobicContact CD1-CH2 4.32Å; F512-W539 AromaticContact CD1-CZ3 3.67Å; F512-W539 HydrophobicContact CD1-CZ3 3.67Å; F512-W539 HydrophobicContact CE1-CE3 4.3Å; F512-W539 HydrophobicContact CE1-CH2 4.11Å; F512-W539 AromaticContact CE1-CZ3 3.6Å; F512-W539 HydrophobicContact CE1-CZ3 3.6Å; R535-W539 PolarHBondContact O-N 2.86Å; V536-W539 PolarHBondContact O-N 3.44Å; L537-W539 VanDerWaalsContact C-N 3.34Å; L537-W539 PolarHBondContact O-N 3.42Å; W539-F541 VanDerWaalsContact C-N 3.34Å; W539-F541 PolarHBondContact O-N 3.37Å; W539-N542 PolarHBondContact O-N 2.9Å; W539-R543 HydrophobicContact CD2-CG 3.85Å; W539-R543 HydrophobicContact CE3-CG 4.22Å; W539-R543 HydrophobicContact CG-CG 4.4Å; W539-R543 HydrophobicContact CH2-CG 4.12Å; W539-R543 HydrophobicContact CZ2-CG 3.73Å; W539-R543 HydrophobicContact CZ3-CG 4.33Å; W539-R543 VanDerWaalsContact O-CG 3.27Å; W539-R543 WeakPolarHBondContact O-CG 3.24Å; W539-R543 PolarHBondContact O-N 3.12Å; W539-S549 PolarHBondContact NE1-O 3.18Å; W539-A550 HydrophobicContact CZ2-CB 4.01Å; W539-P559 HydrophobicContact CD2-CB 4.47Å; W539-P559 HydrophobicContact CD2-CG 3.83Å; W539-P559 HydrophobicContact CE3-CG 4.32Å; W539-P559 HydrophobicContact CG-CB 4.49Å; W539-P559 HydrophobicContact CG-CG 4.16Å; W539-P559 HydrophobicContact CH2-CG 4.46Å; W539-P559 HydrophobicContact CZ2-CB 4.49Å; W539-P559 HydrophobicContact CZ2-CG 4Å; W539-L564 HydrophobicContact CB-CD2 3.77Å; W539-L564 HydrophobicContact CG-CD2 4.27Å
540M98.8Very high97.3Very high0 Ų033.2 Ų33.20%019%0.187CC..Hα-helixtrans-58.2-45.2176.6-67.2175.6175.600112.2F280 I432 V444 F512 V514 V536 L537 N542 R543 I544F280-M540 HydrophobicContact CE2-CB 4.01Å; F280-M540 HydrophobicContact CZ-CB 4.31Å; I432-M540 HydrophobicContact CD1-CE 4.17Å; I432-M540 HydrophobicContact CD1-SD 3.55Å; I432-M540 VanDerWaalsContact CD1-SD 3.55Å; I432-M540 HydrophobicContact CG1-CE 4.17Å; I432-M540 HydrophobicContact CG1-SD 3.88Å; I432-M540 HydrophobicContact CG2-CE 4.05Å; V444-M540 HydrophobicContact CG2-CE 3.48Å; V444-M540 VanDerWaalsContact CG2-CE 3.48Å; F512-M540 HydrophobicContact CB-CE 3.51Å; F512-M540 HydrophobicContact CB-SD 4.3Å; F512-M540 HydrophobicContact CD1-CE 4.23Å; F512-M540 HydrophobicContact CD1-CG 3.88Å; F512-M540 HydrophobicContact CD2-CB 4.41Å; F512-M540 HydrophobicContact CD2-CE 4.37Å; F512-M540 HydrophobicContact CD2-CG 4.01Å; F512-M540 HydrophobicContact CD2-SD 4.08Å; F512-M540 HydrophobicContact CE1-CB 4.3Å; F512-M540 HydrophobicContact CE1-CG 3.9Å; F512-M540 HydrophobicContact CE2-CB 3.99Å; F512-M540 HydrophobicContact CE2-CG 4.03Å; F512-M540 HydrophobicContact CG-CE 3.8Å; F512-M540 HydrophobicContact CG-CG 3.93Å; F512-M540 HydrophobicContact CG-SD 4.08Å; F512-M540 HydrophobicContact CZ-CB 3.93Å; F512-M540 HydrophobicContact CZ-CG 3.97Å; V514-M540 HydrophobicContact CG1-CE 3.37Å; V536-M540 HydrophobicContact CG1-CE 3.82Å; V536-M540 WeakPolarHBondContact O-CG 3.09Å; V536-M540 PolarHBondContact O-N 2.94Å; L537-M540 HydrophobicContact CD2-SD 3.9Å; L537-M540 PolarHBondContact O-N 3.49Å; M540-N542 VanDerWaalsContact C-N 3.33Å; M540-N542 PolarHBondContact O-N 2.85Å; M540-R543 WeakPolarHBondContact O-CB 3.28Å; M540-R543 PolarHBondContact O-N 3.11Å; M540-R543 VanDerWaalsContact O-N 3.14Å; M540-I544 VanDerWaalsContact O-CG1 3.3Å; M540-I544 WeakPolarHBondContact O-CG1 3.45Å; M540-I544 PolarHBondContact O-N 3.48Å
541F98.8Very high97.3Very high0 Ų031.9 Ų31.90%018%0.184CC..Hα-helixtrans-56.4-48.5177-169.1-75.2000111.2I270 N272 D276 K278 F280 W303 L537 E538 W539 R543 I544 Q545I270-F541 HydrophobicContact CG1-CD2 4.45Å; I270-F541 HydrophobicContact CG2-CD2 3.84Å; I270-F541 HydrophobicContact CG2-CE2 4.26Å; N272-F541 HydrophobicContact CB-CD1 4.44Å; N272-F541 HydrophobicContact CB-CE1 3.92Å; N272-F541 HydrophobicContact CB-CE2 4.35Å; N272-F541 HydrophobicContact CB-CZ 3.88Å; N272-F541 WeakPolarHBondContact ND2-CE1 3.33Å; D276-F541 HydrophobicContact CB-CE1 4.27Å; D276-F541 HydrophobicContact CB-CZ 3.75Å; D276-F541 VanDerWaalsContact O-CZ 3.32Å; D276-F541 WeakPolarHBondContact O-CZ 3.35Å; K278-F541 HydrophobicContact CB-CD2 4.05Å; K278-F541 HydrophobicContact CB-CE2 3.75Å; K278-F541 HydrophobicContact CD-CD1 4.39Å; K278-F541 HydrophobicContact CD-CD2 3.81Å; K278-F541 HydrophobicContact CD-CE1 4.25Å; K278-F541 HydrophobicContact CD-CE2 3.69Å; K278-F541 HydrophobicContact CD-CG 4.17Å; K278-F541 HydrophobicContact CD-CZ 3.89Å; K278-F541 HydrophobicContact CG-CD2 3.91Å; K278-F541 HydrophobicContact CG-CE2 3.37Å; K278-F541 HydrophobicContact CG-CZ 3.73Å; F280-F541 HydrophobicContact CZ-CB 4.21Å; F280-F541 HydrophobicContact CZ-CD2 4.36Å; W303-F541 HydrophobicContact CH2-CB 3.84Å; W303-F541 HydrophobicContact CH2-CD1 4Å; W303-F541 HydrophobicContact CH2-CD2 4.22Å; W303-F541 AromaticContact CH2-CG 3.77Å; W303-F541 HydrophobicContact CH2-CG 3.77Å; W303-F541 HydrophobicContact CZ3-CB 4.06Å; W303-F541 HydrophobicContact CZ3-CD1 4.43Å; W303-F541 AromaticContact CZ3-CD2 3.84Å; W303-F541 HydrophobicContact CZ3-CD2 3.84Å; W303-F541 HydrophobicContact CZ3-CE2 4.37Å; W303-F541 AromaticContact CZ3-CG 3.87Å; W303-F541 HydrophobicContact CZ3-CG 3.87Å; L537-F541 VanDerWaalsContact O-CB 3.27Å; L537-F541 WeakPolarHBondContact O-CB 3.17Å; L537-F541 PolarHBondContact O-N 2.96Å; E538-F541 WeakPolarHBondContact O-CB 3.5Å; E538-F541 PolarHBondContact O-N 3.38Å; W539-F541 VanDerWaalsContact C-N 3.34Å; W539-F541 PolarHBondContact O-N 3.37Å; F541-R543 VanDerWaalsContact C-N 3.33Å; F541-R543 PolarHBondContact O-N 3.29Å; F541-I544 WeakPolarHBondContact O-CB 3.4Å; F541-I544 PolarHBondContact O-N 2.92Å; F541-Q545 HydrophobicContact CD1-CG 4.45Å; F541-Q545 HydrophobicContact CE1-CG 4.28Å; F541-Q545 PolarHBondContact O-N 3.42Å
542N98.3Very high97.2Very high41 Ų4135.6 Ų35.622%0.21921%0.205CC..Hα-helixtrans-69.6-29.9178.4-70.1-28.5000112.4E538 W539 M540 Q545 G546 K547 A548E538-N542 WeakPolarHBondContact O-CB 3.32Å; E538-N542 PolarHBondContact O-N 3.27Å; E538-N542 PolarHBondContact O-ND2 2.92Å; W539-N542 PolarHBondContact O-N 2.9Å; M540-N542 VanDerWaalsContact C-N 3.33Å; M540-N542 PolarHBondContact O-N 2.85Å; N542-Q545 PolarHBondContact O-N 3.33Å; N542-G546 PolarHBondContact O-N 2.91Å; N542-G546 VanDerWaalsContact O-N 3.15Å; N542-K547 HydrophobicContact CB-CB 4.39Å; N542-K547 PolarHBondContact O-N 3.4Å; N542-A548 HydrophobicContact CB-CB 3.49Å; N542-A548 VanDerWaalsContact CB-CB 3.49Å; N542-A548 PolarHBondContact O-N 2.83Å; N542-A548 VanDerWaalsContact O-N 3.13Å
543R98.3Very high97.2Very high42 Ų4235 Ų3516%0.15820%0.204CC..Hα-helixtrans-65.2-41.5171.9-71.6-61.2-63.1151.52.2111.4E446 K510 F512 W539 M540 F541 Q545 G546 A548E446-R543 IonicContact OE1-NH2 2.69Å; E446-R543 IonicContact OE2-CZ 3.09Å; E446-R543 IonicContact OE2-NE 2.69Å; E446-R543 PolarHBondContact OE2-NE 3.26Å; E446-R543 IonicContact OE2-NH2 2.58Å; E446-R543 PolarHBondContact OE2-NH2 2.83Å; K510-R543 WeakPolarHBondContact CE-O 3.23Å; F512-R543 HydrophobicContact CE1-CB 4.29Å; F512-R543 HydrophobicContact CE1-CG 4.45Å; F512-R543 HydrophobicContact CZ-CB 4.08Å; W539-R543 HydrophobicContact CD2-CG 3.85Å; W539-R543 HydrophobicContact CE3-CG 4.22Å; W539-R543 HydrophobicContact CG-CG 4.4Å; W539-R543 HydrophobicContact CH2-CG 4.12Å; W539-R543 HydrophobicContact CZ2-CG 3.73Å; W539-R543 HydrophobicContact CZ3-CG 4.33Å; W539-R543 VanDerWaalsContact O-CG 3.27Å; W539-R543 WeakPolarHBondContact O-CG 3.24Å; W539-R543 PolarHBondContact O-N 3.12Å; M540-R543 WeakPolarHBondContact O-CB 3.28Å; M540-R543 PolarHBondContact O-N 3.11Å; M540-R543 VanDerWaalsContact O-N 3.14Å; F541-R543 VanDerWaalsContact C-N 3.33Å; F541-R543 PolarHBondContact O-N 3.29Å; R543-Q545 VanDerWaalsContact C-N 3.31Å; R543-Q545 PolarHBondContact O-N 3.15Å; R543-G546 PolarHBondContact O-N 3.07Å; R543-G546 VanDerWaalsContact O-N 3.07Å; R543-A548 WeakPolarHBondContact CD-O 3.37Å; R543-A548 HydrophobicContact CG-CB 4Å; R543-A548 PolarHBondContact NH1-O 2.91Å
544I98.3Very high97.2Very high32 Ų3234.9 Ų34.916%0.16420%0.204CC..Hα-helixtrans-60.8-41.1175.5-63.4159.9000111K278 F280 E429 A430 K510 M540 F541 G546K278-I544 HydrophobicContact CD-CB 4.32Å; K278-I544 HydrophobicContact CD-CD1 4.17Å; K278-I544 HydrophobicContact CD-CG2 3.99Å; F280-I544 HydrophobicContact CD1-CD1 4.25Å; F280-I544 HydrophobicContact CE1-CD1 3.28Å; F280-I544 HydrophobicContact CZ-CD1 3.61Å; E429-I544 HydrophobicContact CB-CD1 4.24Å; E429-I544 HydrophobicContact CB-CG2 4.24Å; E429-I544 WeakPolarHBondContact OE2-CG2 3.41Å; A430-I544 HydrophobicContact CB-CD1 3.82Å; K510-I544 HydrophobicContact CB-CG1 4.44Å; K510-I544 HydrophobicContact CD-CB 4.46Å; K510-I544 HydrophobicContact CD-CG1 3.9Å; K510-I544 HydrophobicContact CG-CG1 4.43Å; M540-I544 VanDerWaalsContact O-CG1 3.3Å; M540-I544 WeakPolarHBondContact O-CG1 3.45Å; M540-I544 PolarHBondContact O-N 3.48Å; F541-I544 WeakPolarHBondContact O-CB 3.4Å; F541-I544 PolarHBondContact O-N 2.92Å; I544-G546 PolarHBondContact O-N 3.19Å
545Q96.6Very high97.2Very high54 Ų5435 Ų3525%0.25221%0.205SC..THydrogen-bonded Turntrans-75.7-6.1176.1-65.9-169.6-28.200114.1D276 F541 N542 R543 K547D276-Q545 PolarHBondContact OD2-NE2 3.4Å; F541-Q545 HydrophobicContact CD1-CG 4.45Å; F541-Q545 HydrophobicContact CE1-CG 4.28Å; F541-Q545 PolarHBondContact O-N 3.42Å; N542-Q545 PolarHBondContact O-N 3.33Å; R543-Q545 VanDerWaalsContact C-N 3.31Å; R543-Q545 PolarHBondContact O-N 3.15Å; Q545-K547 HydrophobicContact CB-CB 4.47Å; Q545-K547 HydrophobicContact CB-CD 4.18Å; Q545-K547 HydrophobicContact CB-CG 3.95Å; Q545-K547 PolarHBondContact O-N 2.83Å; Q545-K547 VanDerWaalsContact OE1-CD 3.27Å
546G96.1Very high97.2Very high62 Ų6234.3 Ų34.364%0.63920%0.202SC*.THydrogen-bonded Turntrans70.215.4-172.800000114.4N542 R543 I544N542-G546 PolarHBondContact O-N 2.91Å; N542-G546 VanDerWaalsContact O-N 3.15Å; R543-G546 PolarHBondContact O-N 3.07Å; R543-G546 VanDerWaalsContact O-N 3.07Å; I544-G546 PolarHBondContact O-N 3.19Å
547K93Very high97.2Very high118 Ų11838 Ų3851%0.51322%0.216SC..  trans-92.1-23.2-178.2-65.5-176.7-174.6166.50114E274 N542 Q545E274-K547 IonicContact OE2-NZ 2.7Å; E274-K547 PolarHBondContact OE2-NZ 3.38Å; N542-K547 HydrophobicContact CB-CB 4.39Å; N542-K547 PolarHBondContact O-N 3.4Å; Q545-K547 HydrophobicContact CB-CB 4.47Å; Q545-K547 HydrophobicContact CB-CD 4.18Å; Q545-K547 HydrophobicContact CB-CG 3.95Å; Q545-K547 PolarHBondContact O-N 2.83Å; Q545-K547 VanDerWaalsContact OE1-CD 3.27Å
548A93.1Very high97.1Very high13 Ų1338.2 Ų38.211%0.10722%0.218CC..SBendtrans-93.1136.5-179.300000113.5N542 R543N542-A548 HydrophobicContact CB-CB 3.49Å; N542-A548 VanDerWaalsContact CB-CB 3.49Å; N542-A548 PolarHBondContact O-N 2.83Å; N542-A548 VanDerWaalsContact O-N 3.13Å; R543-A548 WeakPolarHBondContact CD-O 3.37Å; R543-A548 HydrophobicContact CG-CB 4Å; R543-A548 PolarHBondContact NH1-O 2.91Å
549S90.9Very high97.1Very high82 Ų8236.9 Ų36.957%0.57321%0.212SC*.  trans-74.3144.7170.9-67.10000111.6W539 A563W539-S549 PolarHBondContact NE1-O 3.18Å; S549-A563 WeakPolarHBondContact O-CB 3.23Å
550A97.1Very high96.9Very high28 Ų2838 Ų3823%0.23122%0.221CC..EExtended strand (participates in β ladder)trans-143.3147.1176.200000110.1W539 I558W539-A550 HydrophobicContact CZ2-CB 4.01Å; A550-I558 CarbonylContact C-O 3.53Å; A550-I558 VanDerWaalsContact CA-O 3.24Å; A550-I558 WeakPolarHBondContact CA-O 3.45Å; A550-I558 WeakPolarHBondContact CB-O 3.47Å
551K96.1Very high96.4Very high76 Ų7643.3 Ų43.333%0.3325%0.249SC..EExtended strand (participates in β ladder)trans-105.8131.3176.462.5-173.1179-173.90110.1Y557 I558 P559 D561K551-Y557 WeakPolarHBondContact O-CA 3.47Å; K551-I558 HydrophobicContact CD-CD1 4.2Å; K551-I558 HydrophobicContact CD-CG1 4.07Å; K551-I558 VanDerWaalsContact CE-CG1 3.49Å; K551-I558 HydrophobicContact CG-CD1 4.05Å; K551-I558 HydrophobicContact CG-CG1 3.42Å; K551-I558 VanDerWaalsContact CG-CG1 3.42Å; K551-I558 PolarHBondContact N-O 2.91Å; K551-I558 PolarHBondContact O-N 3.5Å; K551-P559 WeakPolarHBondContact CE-O 3.46Å; K551-D561 IonicContact NZ-OD1 3.22Å; K551-D561 PolarHBondContact NZ-OD1 3.39Å
552P97.2Very high95.9Very high97 Ų9749.8 Ų49.863%0.6329%0.289SS*.EExtended strand (participates in β ladder)trans-69.2144.3175.829.7-33.8000110.4Y557P552-Y557 HydrophobicContact CB-CD1 4.06Å; P552-Y557 HydrophobicContact CB-CE1 4.03Å
553T98.1Very high95.7Very high33 Ų3349.1 Ų49.120%0.20229%0.289CS..EExtended strand (participates in β ladder)trans-134-178.4172.968.10000109.1F448 I555 G556 I558F448-T553 WeakPolarHBondContact CZ-O 3.36Å; T553-I555 PolarHBondContact O-N 3.01Å; T553-I555 VanDerWaalsContact OG1-CG1 3.31Å; T553-I555 WeakPolarHBondContact OG1-CG1 3.3Å; T553-I555 PolarHBondContact OG1-N 2.98Å; T553-G556 PolarHBondContact N-O 3.34Å; T553-G556 PolarHBondContact OG1-N 2.85Å; T553-G556 PolarHBondContact OG1-O 3.43Å; T553-I558 HydrophobicContact CG2-CD1 3.5Å; T553-I558 VanDerWaalsContact CG2-CD1 3.5Å; T553-I558 HydrophobicContact CG2-CG1 3.63Å; T553-I558 HydrophobicContact CG2-CG2 4.2Å
554A97.9Very high95.5Very high6 Ų647.7 Ų47.75%0.0529%0.285CS..THydrogen-bonded Turntrans-67.8-1617500000114.3L615 R618 I619 L622A554-L615 WeakPolarHBondContact O-CD1 3.49Å; A554-R618 HydrophobicContact CB-CB 3.8Å; A554-R618 PolarHBondContact O-NE 3.28Å; A554-I619 HydrophobicContact CB-CD1 3.51Å; A554-I619 HydrophobicContact CB-CG1 4.36Å; A554-L622 HydrophobicContact CB-CD1 3.95Å; A554-L622 HydrophobicContact CB-CD2 3.96Å; A554-L622 HydrophobicContact CB-CG 3.96Å
555I98.4Very high95.4Very high3 Ų348.9 Ų48.92%0.01529%0.292CS..THydrogen-bonded Turntrans-112.4-4.6-172.764.9166.7000114.1P442 Y445 H452 T553 V580 W585 L615 I619P442-I555 HydrophobicContact CG-CD1 3.68Å; Y445-I555 HydrophobicContact CD1-CD1 4.11Å; Y445-I555 VanDerWaalsContact CD2-O 3.31Å; Y445-I555 WeakPolarHBondContact CD2-O 3.49Å; Y445-I555 HydrophobicContact CE1-CD1 4.37Å; Y445-I555 WeakPolarHBondContact CE2-O 3.42Å; Y445-I555 HydrophobicContact CG-CD1 4.22Å; H452-I555 PolarHBondContact CE1-O 3.43Å; H452-I555 VanDerWaalsContact CE1-O 3.28Å; T553-I555 PolarHBondContact O-N 3.01Å; T553-I555 VanDerWaalsContact OG1-CG1 3.31Å; T553-I555 WeakPolarHBondContact OG1-CG1 3.3Å; T553-I555 PolarHBondContact OG1-N 2.98Å; I555-V580 HydrophobicContact CD1-CG2 3.94Å; I555-V580 HydrophobicContact CG1-CG1 4.47Å; I555-V580 HydrophobicContact CG1-CG2 4.25Å; I555-V580 HydrophobicContact CG2-CG1 4.12Å; I555-W585 HydrophobicContact CB-CH2 4.3Å; I555-W585 HydrophobicContact CB-CZ2 4.3Å; I555-W585 HydrophobicContact CD1-CH2 4.2Å; I555-W585 HydrophobicContact CD1-CZ2 3.59Å; I555-W585 HydrophobicContact CG2-CD2 3.65Å; I555-W585 HydrophobicContact CG2-CE3 3.8Å; I555-W585 HydrophobicContact CG2-CG 4.29Å; I555-W585 HydrophobicContact CG2-CH2 3.85Å; I555-W585 HydrophobicContact CG2-CZ2 3.73Å; I555-W585 HydrophobicContact CG2-CZ3 3.89Å; I555-L615 HydrophobicContact CG2-CD1 4.08Å; I555-I619 HydrophobicContact CG2-CD1 4.28Å
556G98.5Very high95.4Very high0 Ų048 Ų480%029%0.288CS..EExtended strand (participates in β ladder)trans145.1-167.8-173.300000112E446 F448 T553E446-G556 CarbonylContact O-C 3.54Å; E446-G556 VanDerWaalsContact O-CA 3.25Å; E446-G556 WeakPolarHBondContact O-CA 3.19Å; F448-G556 VanDerWaalsContact CZ-N 3.26Å; T553-G556 PolarHBondContact N-O 3.34Å; T553-G556 PolarHBondContact OG1-N 2.85Å; T553-G556 PolarHBondContact OG1-O 3.43Å
557Y98.7Very high95.4Very high77 Ų7753.2 Ų53.230%0.30229%0.293SS..EExtended strand (participates in β ladder)trans-93.3129.4171.1-54.9-82.3000110.5Y445 E446 F448 K551 P552Y445-Y557 CarbonylContact C-O 3.52Å; Y445-Y557 VanDerWaalsContact CA-O 3.24Å; Y445-Y557 WeakPolarHBondContact CA-O 3.27Å; E446-Y557 HydrophobicContact CB-CD2 4.48Å; E446-Y557 PolarHBondContact N-O 2.96Å; E446-Y557 PolarHBondContact O-N 2.85Å; F448-Y557 HydrophobicContact CD1-CD2 4.01Å; F448-Y557 HydrophobicContact CD1-CE1 4.45Å; F448-Y557 AromaticContact CD1-CE2 3.52Å; F448-Y557 HydrophobicContact CD1-CE2 3.52Å; F448-Y557 AromaticContact CD1-CZ 3.75Å; F448-Y557 HydrophobicContact CE1-CD2 4.35Å; F448-Y557 HydrophobicContact CE1-CE1 4.42Å; F448-Y557 HydrophobicContact CE1-CE2 4.15Å; K551-Y557 WeakPolarHBondContact O-CA 3.47Å; P552-Y557 HydrophobicContact CB-CD1 4.06Å; P552-Y557 HydrophobicContact CB-CE1 4.03Å
558I98.5Very high95.5Very high5 Ų550 Ų503%0.02629%0.294CS..EExtended strand (participates in β ladder)trans-108.8162.3172.263.8177.8000109.9A550 K551 T553 A560 F578A550-I558 CarbonylContact C-O 3.53Å; A550-I558 VanDerWaalsContact CA-O 3.24Å; A550-I558 WeakPolarHBondContact CA-O 3.45Å; A550-I558 WeakPolarHBondContact CB-O 3.47Å; K551-I558 HydrophobicContact CD-CD1 4.2Å; K551-I558 HydrophobicContact CD-CG1 4.07Å; K551-I558 VanDerWaalsContact CE-CG1 3.49Å; K551-I558 HydrophobicContact CG-CD1 4.05Å; K551-I558 HydrophobicContact CG-CG1 3.42Å; K551-I558 VanDerWaalsContact CG-CG1 3.42Å; K551-I558 PolarHBondContact N-O 2.91Å; K551-I558 PolarHBondContact O-N 3.5Å; T553-I558 HydrophobicContact CG2-CD1 3.5Å; T553-I558 VanDerWaalsContact CG2-CD1 3.5Å; T553-I558 HydrophobicContact CG2-CG1 3.63Å; T553-I558 HydrophobicContact CG2-CG2 4.2Å; I558-A560 PolarHBondContact O-N 3.28Å; I558-F578 HydrophobicContact CB-CD1 4.04Å; I558-F578 HydrophobicContact CB-CE1 4.47Å; I558-F578 HydrophobicContact CD1-CB 4.1Å; I558-F578 HydrophobicContact CD1-CD1 4.33Å; I558-F578 HydrophobicContact CG2-CD1 4.33Å
559P98.1Very high95.6Very high4 Ų450.8 Ų50.83%0.02630%0.296CS..EExtended strand (participates in β ladder)trans-53.3138.4173.5-23.632.9000111.4V444 W539 K551 A563 L564 F578V444-P559 HydrophobicContact CG1-CG 3.7Å; W539-P559 HydrophobicContact CD2-CB 4.47Å; W539-P559 HydrophobicContact CD2-CG 3.83Å; W539-P559 HydrophobicContact CE3-CG 4.32Å; W539-P559 HydrophobicContact CG-CB 4.49Å; W539-P559 HydrophobicContact CG-CG 4.16Å; W539-P559 HydrophobicContact CH2-CG 4.46Å; W539-P559 HydrophobicContact CZ2-CB 4.49Å; W539-P559 HydrophobicContact CZ2-CG 4Å; K551-P559 WeakPolarHBondContact CE-O 3.46Å; P559-A563 HydrophobicContact CB-CB 4.1Å; P559-L564 HydrophobicContact CB-CD1 4.23Å; P559-L564 HydrophobicContact CB-CG 3.86Å; P559-L564 HydrophobicContact CG-CD1 4.04Å; P559-L564 HydrophobicContact CG-CD2 4.21Å; P559-L564 HydrophobicContact CG-CG 3.95Å; P559-F578 VanDerWaalsContact CD-CE1 3.47Å; P559-F578 HydrophobicContact CG-CE1 3.93Å; P559-F578 HydrophobicContact CG-CZ 3.91Å
560A95.4Very high95.5Very high24 Ų2453.6 Ų53.620%0.19830%0.3CS..  trans-65.3161.8164.700000109.8I558 T562 A563I558-A560 PolarHBondContact O-N 3.28Å; A560-T562 PolarHBondContact O-N 2.9Å; A560-A563 HydrophobicContact CB-CB 4.14Å; A560-A563 VanDerWaalsContact O-CB 3.31Å; A560-A563 WeakPolarHBondContact O-CB 3.39Å; A560-A563 PolarHBondContact O-N 3.07Å
561D88.1Confident95.1Very high112 Ų11260.1 Ų60.160%0.59933%0.331SS*.THydrogen-bonded Turntrans-59.8-24.1-166.4-58.6-21.5000114.2K551 L574K551-D561 IonicContact NZ-OD1 3.22Å; K551-D561 PolarHBondContact NZ-OD1 3.39Å; D561-L574 WeakPolarHBondContact O-CD1 3.48Å
562T88Confident94.9Very high137 Ų13757.9 Ų57.984%0.8432%0.323SS*.THydrogen-bonded Turntrans-110.67.7177.263.50000113.7A560A560-T562 PolarHBondContact O-N 2.9Å
563A93.6Very high94.6Very high26 Ų2655.9 Ų55.922%0.21531%0.311CS..SBendtrans-82.8-15.1-173.600000113.8S549 P559 A560S549-A563 WeakPolarHBondContact O-CB 3.23Å; P559-A563 HydrophobicContact CB-CB 4.1Å; A560-A563 HydrophobicContact CB-CB 4.14Å; A560-A563 VanDerWaalsContact O-CB 3.31Å; A560-A563 WeakPolarHBondContact O-CB 3.39Å; A560-A563 PolarHBondContact O-N 3.07Å
564L95.2Very high94.3Very high12 Ų1256.2 Ų56.26%0.06331%0.312CS..SBendtrans-98.4132.6171.9-72.4176.2000110.7L443 W539 P559 L566 L574 F578L443-L564 HydrophobicContact CD2-CD1 4.3Å; W539-L564 HydrophobicContact CB-CD2 3.77Å; W539-L564 HydrophobicContact CG-CD2 4.27Å; P559-L564 HydrophobicContact CB-CD1 4.23Å; P559-L564 HydrophobicContact CB-CG 3.86Å; P559-L564 HydrophobicContact CG-CD1 4.04Å; P559-L564 HydrophobicContact CG-CD2 4.21Å; P559-L564 HydrophobicContact CG-CG 3.95Å; L564-L566 HydrophobicContact CB-CD2 4.3Å; L564-L566 HydrophobicContact CB-CG 4.41Å; L564-L566 PolarHBondContact O-N 2.97Å; L564-L574 HydrophobicContact CD1-CD2 4.3Å; L564-F578 HydrophobicContact CD1-CE2 3.66Å; L564-F578 HydrophobicContact CD1-CZ 3.57Å
565N95.1Very high94.1Very high58 Ų5861.7 Ų61.731%0.3135%0.345SS..  trans-73.6106.2169.7-177.8-11.8000109.9L300 R535 E538 K567L300-N565 HydrophobicContact CD2-CB 4.45Å; L300-N565 WeakPolarHBondContact CD2-ND2 3.33Å; R535-N565 WeakPolarHBondContact CD-O 3.28Å; R535-N565 WeakPolarHBondContact CG-O 3.37Å; R535-N565 PolarHBondContact NH1-O 3.42Å; R535-N565 PolarHBondContact NH1-OD1 3.14Å; E538-N565 WeakPolarHBondContact OE2-CB 3.45Å; N565-K567 WeakPolarHBondContact OD1-CB 3.26Å; N565-K567 PolarHBondContact OD1-N 3.06Å; N565-K567 VanDerWaalsContact OD1-N 3.15Å
566L96.1Very high93.8Very high35 Ų3564.6 Ų64.618%0.18336%0.358CS..  trans-106.415.7177.9-62-175.8000114W527 L564 G568 L569 L574W527-L566 HydrophobicContact CH2-CD2 4.42Å; W527-L566 HydrophobicContact CZ3-CD2 4.17Å; L564-L566 HydrophobicContact CB-CD2 4.3Å; L564-L566 HydrophobicContact CB-CG 4.41Å; L564-L566 PolarHBondContact O-N 2.97Å; L566-G568 PolarHBondContact O-N 2.78Å; L566-L569 CarbonylContact O-C 3.6Å; L566-L569 WeakPolarHBondContact O-CA 3.48Å; L566-L569 PolarHBondContact O-N 2.87Å; L566-L574 HydrophobicContact CD1-CD1 3.72Å; L566-L574 HydrophobicContact CD1-CD2 3.79Å; L566-L574 HydrophobicContact CD1-CG 3.66Å
567K95.8Very high93.7Very high171 Ų17164.6 Ų64.674%0.74336%0.358SS*.THydrogen-bonded Turntrans-58.3124.9177.1-173.7179.5179.2-179.10110.3R535 N565R535-K567 PolarHBondContact NH1-O 3.32Å; R535-K567 PolarHBondContact NH2-O 2.9Å; N565-K567 WeakPolarHBondContact OD1-CB 3.26Å; N565-K567 PolarHBondContact OD1-N 3.06Å; N565-K567 VanDerWaalsContact OD1-N 3.15Å
568G95.4Very high93.6Very high52 Ų5261.7 Ų61.754%0.53635%0.347SS..THydrogen-bonded Turntrans84.62.8-173.700000115.1L566 E570L566-G568 PolarHBondContact O-N 2.78Å; G568-E570 VanDerWaalsContact C-OE2 3.28Å; G568-E570 WeakPolarHBondContact CA-OE1 3.37Å; G568-E570 WeakPolarHBondContact CA-OE2 3.33Å; G568-E570 PolarHBondContact N-OE1 2.99Å
569L94.9Very high93.5Very high29 Ų2966.2 Ų66.215%0.15237%0.368CS..  trans-131.839.1178.5-64.4179.3000111.2W527 P528 E532 L566 N571 I572W527-L569 HydrophobicContact CH2-CD1 4.1Å; W527-L569 HydrophobicContact CZ3-CD1 4.28Å; P528-L569 HydrophobicContact CG-CD1 4.06Å; P528-L569 HydrophobicContact CG-CD2 4.03Å; E532-L569 HydrophobicContact CB-CD1 4.23Å; E532-L569 HydrophobicContact CG-CD1 4.14Å; L566-L569 CarbonylContact O-C 3.6Å; L566-L569 WeakPolarHBondContact O-CA 3.48Å; L566-L569 PolarHBondContact O-N 2.87Å; L569-N571 PolarHBondContact O-N 3.18Å; L569-N571 VanDerWaalsContact O-N 3.09Å; L569-I572 HydrophobicContact CB-CD1 3.74Å; L569-I572 HydrophobicContact CB-CG1 4.11Å; L569-I572 HydrophobicContact CD1-CD1 3.81Å; L569-I572 HydrophobicContact CD2-CD1 4.27Å; L569-I572 HydrophobicContact CG-CD1 4.16Å; L569-I572 PolarHBondContact O-N 3.25Å; L569-I572 VanDerWaalsContact O-N 3.13Å
570E88.7Confident93.4Very high140 Ų14067.4 Ų67.465%0.65438%0.375SS*.THydrogen-bonded Turntrans-62.6-21.7-171-63.876.4-166.100113.6G568 I572G568-E570 VanDerWaalsContact C-OE2 3.28Å; G568-E570 WeakPolarHBondContact CA-OE1 3.37Å; G568-E570 WeakPolarHBondContact CA-OE2 3.33Å; G568-E570 PolarHBondContact N-OE1 2.99Å; E570-I572 VanDerWaalsContact C-N 3.33Å; E570-I572 PolarHBondContact O-N 3.18Å
571N90.2Very high93.5Very high165 Ų16568.1 Ų68.188%0.88238%0.379SS*.THydrogen-bonded Turntrans-84.80.1-179.4-63.5-40.1000114L569 S573L569-N571 PolarHBondContact O-N 3.18Å; L569-N571 VanDerWaalsContact O-N 3.09Å; N571-S573 PolarHBondContact O-N 2.96Å
572I92.1Very high93.9Very high29 Ų2966.3 Ų66.315%0.14937%0.365CS..  trans-77.4121.8179.4-65.4-173.2000110.3W527 P528 L569 E570 L574 L577W527-I572 HydrophobicContact CE3-CD1 3.59Å; W527-I572 HydrophobicContact CE3-CG2 4.46Å; W527-I572 HydrophobicContact CZ3-CD1 3.49Å; W527-I572 VanDerWaalsContact CZ3-CD1 3.49Å; P528-I572 HydrophobicContact CG-CD1 4.17Å; L569-I572 HydrophobicContact CB-CD1 3.74Å; L569-I572 HydrophobicContact CB-CG1 4.11Å; L569-I572 HydrophobicContact CD1-CD1 3.81Å; L569-I572 HydrophobicContact CD2-CD1 4.27Å; L569-I572 HydrophobicContact CG-CD1 4.16Å; L569-I572 PolarHBondContact O-N 3.25Å; L569-I572 VanDerWaalsContact O-N 3.13Å; E570-I572 VanDerWaalsContact C-N 3.33Å; E570-I572 PolarHBondContact O-N 3.18Å; I572-L574 PolarHBondContact O-N 3.35Å; I572-L574 VanDerWaalsContact O-N 3.16Å; I572-L577 HydrophobicContact CG2-CD2 3.8Å
573S90.4Very high94.4Very high55 Ų5565.4 Ų65.439%0.38535%0.352SS..  trans-7698.7173.1179.50000110.8N571 T575 E576 L577N571-S573 PolarHBondContact O-N 2.96Å; S573-T575 VanDerWaalsContact C-N 3.25Å; S573-T575 PolarHBondContact O-N 2.86Å; S573-E576 PolarHBondContact O-N 2.77Å; S573-E576 WeakPolarHBondContact OG-CB 3.26Å; S573-E576 PolarHBondContact OG-N 3.28Å; S573-L577 WeakPolarHBondContact O-CB 3.44Å; S573-L577 PolarHBondContact O-N 3.43Å
574L92.3Very high94.6Very high41 Ų4166 Ų6622%0.21535%0.349CS..Hα-helixtrans-61.1-35.5173.6-76-177.7000112.4D561 L564 L566 I572 L577 F578D561-L574 WeakPolarHBondContact O-CD1 3.48Å; L564-L574 HydrophobicContact CD1-CD2 4.3Å; L566-L574 HydrophobicContact CD1-CD1 3.72Å; L566-L574 HydrophobicContact CD1-CD2 3.79Å; L566-L574 HydrophobicContact CD1-CG 3.66Å; I572-L574 PolarHBondContact O-N 3.35Å; I572-L574 VanDerWaalsContact O-N 3.16Å; L574-L577 PolarHBondContact O-N 2.85Å; L574-F578 HydrophobicContact CD2-CD2 3.81Å; L574-F578 HydrophobicContact CD2-CE2 3.59Å; L574-F578 WeakPolarHBondContact O-CB 3.31Å; L574-F578 WeakPolarHBondContact O-CD2 3.48Å; L574-F578 PolarHBondContact O-N 3.5Å
575T92.4Very high94.8Very high121 Ų12165.9 Ų65.974%0.74235%0.348SS*.Hα-helixtrans-59.1-51.7178.5-54.90000110.8S573 E579S573-T575 VanDerWaalsContact C-N 3.25Å; S573-T575 PolarHBondContact O-N 2.86Å; T575-E579 WeakPolarHBondContact O-CA 3.42Å; T575-E579 VanDerWaalsContact O-CB 3.32Å; T575-E579 WeakPolarHBondContact O-CB 3.32Å; T575-E579 PolarHBondContact O-N 2.95Å
576E92.9Very high94.9Very high63 Ų6367.2 Ų67.229%0.29435%0.352SS..Hα-helixtrans-69.2-39.9179.8-169.8-180178.700111.4R518 L526 S573 F578 E579R518-E576 PolarHBondContact NE-O 2.92Å; R518-E576 PolarHBondContact NH1-O 3.27Å; R518-E576 VanDerWaalsContact NH1-O 3.11Å; R518-E576 PolarHBondContact NH2-O 3.19Å; R518-E576 VanDerWaalsContact NH2-O 3.12Å; L526-E576 HydrophobicContact CD1-CG 3.8Å; L526-E576 HydrophobicContact CD2-CG 4.3Å; S573-E576 PolarHBondContact O-N 2.77Å; S573-E576 WeakPolarHBondContact OG-CB 3.26Å; S573-E576 PolarHBondContact OG-N 3.28Å; E576-F578 VanDerWaalsContact C-N 3.3Å; E576-F578 PolarHBondContact O-N 2.8Å; E576-E579 PolarHBondContact O-N 3.22Å
577L95.2Very high95Very high0 Ų071.7 Ų71.70%037%0.37CS..Hα-helixtrans-66.4-32.5-177.4-171.857.1000113P442 L443 R518 L526 W527 I572 S573 L574P442-L577 VanDerWaalsContact CA-O 3.24Å; P442-L577 WeakPolarHBondContact CA-O 3.5Å; P442-L577 WeakPolarHBondContact CB-O 3.5Å; L443-L577 HydrophobicContact CB-CD1 3.9Å; L443-L577 HydrophobicContact CB-CD2 4.05Å; L443-L577 HydrophobicContact CB-CG 3.73Å; L443-L577 HydrophobicContact CD2-CD2 3.85Å; L443-L577 HydrophobicContact CD2-CG 4.48Å; L443-L577 HydrophobicContact CG-CD2 4.41Å; L443-L577 PolarHBondContact N-O 3.03Å; R518-L577 PolarHBondContact NH1-O 2.99Å; L526-L577 HydrophobicContact CB-CD1 3.92Å; W527-L577 HydrophobicContact CB-CD1 4.38Å; W527-L577 HydrophobicContact CE3-CD2 3.78Å; W527-L577 HydrophobicContact CZ3-CD2 4.38Å; I572-L577 HydrophobicContact CG2-CD2 3.8Å; S573-L577 WeakPolarHBondContact O-CB 3.44Å; S573-L577 PolarHBondContact O-N 3.43Å; L574-L577 PolarHBondContact O-N 2.85Å
578F96.9Very high95.1Very high17 Ų1764 Ų648%0.07534%0.337CS..Hα-helixtrans-108.76.7-178.8-72.1-79000114.7P442 L443 V444 I558 P559 L564 L574 E576 V580P442-F578 HydrophobicContact CB-CD1 3.99Å; L443-F578 HydrophobicContact CB-CE1 4Å; L443-F578 HydrophobicContact CB-CE2 4.3Å; L443-F578 HydrophobicContact CB-CZ 3.71Å; L443-F578 HydrophobicContact CD2-CE2 4.35Å; L443-F578 HydrophobicContact CD2-CZ 3.93Å; L443-F578 HydrophobicContact CG-CZ 4.32Å; V444-F578 HydrophobicContact CG1-CE1 3.85Å; V444-F578 HydrophobicContact CG1-CZ 4.05Å; V444-F578 WeakPolarHBondContact O-CE1 3.31Å; I558-F578 HydrophobicContact CB-CD1 4.04Å; I558-F578 HydrophobicContact CB-CE1 4.47Å; I558-F578 HydrophobicContact CD1-CB 4.1Å; I558-F578 HydrophobicContact CD1-CD1 4.33Å; I558-F578 HydrophobicContact CG2-CD1 4.33Å; P559-F578 VanDerWaalsContact CD-CE1 3.47Å; P559-F578 HydrophobicContact CG-CE1 3.93Å; P559-F578 HydrophobicContact CG-CZ 3.91Å; L564-F578 HydrophobicContact CD1-CE2 3.66Å; L564-F578 HydrophobicContact CD1-CZ 3.57Å; L574-F578 HydrophobicContact CD2-CD2 3.81Å; L574-F578 HydrophobicContact CD2-CE2 3.59Å; L574-F578 WeakPolarHBondContact O-CB 3.31Å; L574-F578 WeakPolarHBondContact O-CD2 3.48Å; L574-F578 PolarHBondContact O-N 3.5Å; E576-F578 VanDerWaalsContact C-N 3.3Å; E576-F578 PolarHBondContact O-N 2.8Å; F578-V580 PolarHBondContact O-N 2.75Å
579E95.9Very high95.3Very high100 Ų10062 Ų6247%0.46732%0.315SS..  trans-59.9132.5177.7178.3-173.1-14700111R518 T575 E576R518-E579 PolarHBondContact NH1-O 2.74Å; R518-E579 IonicContact NH2-OE2 3.67Å; R518-E579 PolarHBondContact NH2-OE2 3.22Å; T575-E579 WeakPolarHBondContact O-CA 3.42Å; T575-E579 VanDerWaalsContact O-CB 3.32Å; T575-E579 WeakPolarHBondContact O-CB 3.32Å; T575-E579 PolarHBondContact O-N 2.95Å; E576-E579 PolarHBondContact O-N 3.22Å
580V96.9Very high95.4Very high28 Ų2864.5 Ų64.517%0.1733%0.326CS..  trans-116.586.7174.5-178.60000107.7I555 F578 W585 L622I555-V580 HydrophobicContact CD1-CG2 3.94Å; I555-V580 HydrophobicContact CG1-CG1 4.47Å; I555-V580 HydrophobicContact CG1-CG2 4.25Å; I555-V580 HydrophobicContact CG2-CG1 4.12Å; F578-V580 PolarHBondContact O-N 2.75Å; V580-W585 HydrophobicContact CG1-CG 4.38Å; V580-L622 HydrophobicContact CG1-CD1 4.18Å
581S96.9Very high95.9Very high40 Ų4061.2 Ų61.228%0.2831%0.31SS..  trans-74.7128.6-178.8171.50000111.6E583 F584 W585S581-E583 PolarHBondContact O-N 3.31Å; S581-F584 PolarHBondContact O-N 2.86Å; S581-W585 VanDerWaalsContact O-CD1 3.31Å; S581-W585 PolarHBondContact O-N 3.2Å; S581-W585 VanDerWaalsContact O-N 3.12Å
582K97.9Very high96.2Very high73 Ų7353.6 Ų53.632%0.31727%0.269SS..Hα-helixtrans-53.8-52.3174.9-175.2177.7-167.2157.10112.4F584 W585 E586 I619 K620 L622K582-F584 VanDerWaalsContact C-N 3.32Å; K582-F584 PolarHBondContact O-N 3.24Å; K582-W585 PolarHBondContact O-N 3.16Å; K582-W585 VanDerWaalsContact O-N 3.12Å; K582-E586 WeakPolarHBondContact CE-OE1 3.48Å; K582-E586 HydrophobicContact CG-CG 4.21Å; K582-E586 WeakPolarHBondContact O-CG 3.5Å; K582-E586 PolarHBondContact O-N 3.12Å; K582-I619 WeakPolarHBondContact CE-O 3.4Å; K582-I619 HydrophobicContact CG-CG2 4.25Å; K582-K620 PolarHBondContact NZ-O 3.43Å; K582-L622 HydrophobicContact CB-CB 4.24Å; K582-L622 HydrophobicContact CB-CD1 4.45Å; K582-L622 HydrophobicContact CD-CB 4.41Å; K582-L622 WeakPolarHBondContact CD-OXT 3.34Å; K582-L622 WeakPolarHBondContact CE-OXT 3.3Å; K582-L622 HydrophobicContact CG-CB 4.37Å; K582-L622 PolarHBondContact NZ-OXT 2.61Å
583E97.9Very high96.5Very high118 Ų11856.3 Ų56.355%0.55128%0.28SS*.Hα-helixtrans-58-42.9-177.3-172-168159.300112.6S581 K587S581-E583 PolarHBondContact O-N 3.31Å; E583-K587 WeakPolarHBondContact O-CG 3.29Å; E583-K587 PolarHBondContact O-N 3.4Å; E583-K587 IonicContact OE1-NZ 2.92Å; E583-K587 PolarHBondContact OE1-NZ 3.41Å
584F97.9Very high96.9Very high38 Ų3858.6 Ų58.617%0.16729%0.285CS..Hα-helixtrans-62.1-48.2177175.3-90.3000111.2T439 V441 S581 K582 K587 E588T439-F584 WeakPolarHBondContact O-CE2 3.32Å; T439-F584 VanDerWaalsContact O-CZ 3.23Å; T439-F584 WeakPolarHBondContact O-CZ 3.4Å; V441-F584 HydrophobicContact CG2-CE1 4.18Å; V441-F584 HydrophobicContact CG2-CZ 4.18Å; S581-F584 PolarHBondContact O-N 2.86Å; K582-F584 VanDerWaalsContact C-N 3.32Å; K582-F584 PolarHBondContact O-N 3.24Å; F584-K587 PolarHBondContact O-N 3.08Å; F584-E588 HydrophobicContact CE1-CB 4.36Å; F584-E588 HydrophobicContact CE1-CG 4.5Å; F584-E588 PolarHBondContact O-N 2.98Å
585W98.3Very high97.1Very high11 Ų1157.3 Ų57.34%0.04228%0.277CS..Hα-helixtrans-76.2-24.1-174.7-79100.2000113.7V441 I555 V580 S581 K582 E588 V589 I619V441-W585 HydrophobicContact CG2-CZ2 4.38Å; I555-W585 HydrophobicContact CB-CH2 4.3Å; I555-W585 HydrophobicContact CB-CZ2 4.3Å; I555-W585 HydrophobicContact CD1-CH2 4.2Å; I555-W585 HydrophobicContact CD1-CZ2 3.59Å; I555-W585 HydrophobicContact CG2-CD2 3.65Å; I555-W585 HydrophobicContact CG2-CE3 3.8Å; I555-W585 HydrophobicContact CG2-CG 4.29Å; I555-W585 HydrophobicContact CG2-CH2 3.85Å; I555-W585 HydrophobicContact CG2-CZ2 3.73Å; I555-W585 HydrophobicContact CG2-CZ3 3.89Å; V580-W585 HydrophobicContact CG1-CG 4.38Å; S581-W585 VanDerWaalsContact O-CD1 3.31Å; S581-W585 PolarHBondContact O-N 3.2Å; S581-W585 VanDerWaalsContact O-N 3.12Å; K582-W585 PolarHBondContact O-N 3.16Å; K582-W585 VanDerWaalsContact O-N 3.12Å; W585-E588 HydrophobicContact CE3-CB 4.04Å; W585-E588 HydrophobicContact CE3-CG 4.03Å; W585-E588 HydrophobicContact CZ3-CG 4.03Å; W585-E588 PolarHBondContact O-N 3.48Å; W585-V589 WeakPolarHBondContact O-CG1 3.41Å; W585-V589 PolarHBondContact O-N 3.37Å; W585-I619 HydrophobicContact CB-CD1 3.4Å; W585-I619 HydrophobicContact CB-CG1 3.93Å; W585-I619 HydrophobicContact CB-CG2 4.11Å; W585-I619 HydrophobicContact CG-CD1 3.9Å
586E98.3Very high97.4Very high85 Ų8551.7 Ų51.740%0.39724%0.242SC..Hα-helixtrans-63.8-42.7167.5-74.7178.8158.800111.2K582 V589 E590 I619K582-E586 WeakPolarHBondContact CE-OE1 3.48Å; K582-E586 HydrophobicContact CG-CG 4.21Å; K582-E586 WeakPolarHBondContact O-CG 3.5Å; K582-E586 PolarHBondContact O-N 3.12Å; E586-V589 WeakPolarHBondContact O-CG1 3.39Å; E586-E590 WeakPolarHBondContact O-CB 3.48Å; E586-E590 PolarHBondContact O-N 3.25Å; E586-I619 HydrophobicContact CG-CG2 3.6Å
587K98.2Very high97.6Very high129 Ų12953 Ų5356%0.56125%0.248SC*.Hα-helixtrans-67.3-40.4173.6-65.6173.6-169.9169.40111.5E583 F584 E591E583-K587 WeakPolarHBondContact O-CG 3.29Å; E583-K587 PolarHBondContact O-N 3.4Å; E583-K587 IonicContact OE1-NZ 2.92Å; E583-K587 PolarHBondContact OE1-NZ 3.41Å; F584-K587 PolarHBondContact O-N 3.08Å; K587-E591 WeakPolarHBondContact O-CB 3.4Å; K587-E591 PolarHBondContact O-N 2.78Å
588E98.2Very high97.7Very high10 Ų1053.9 Ų53.95%0.04726%0.258CS..Hα-helixtrans-64.7-44.5-179.5-16768.9-166.800112.2R437 R461 F584 W585 E591 I592R437-E588 IonicContact CZ-OE1 2.99Å; R437-E588 IonicContact CZ-OE2 2.97Å; R437-E588 IonicContact NH1-OE1 3.75Å; R437-E588 PolarHBondContact NH1-OE1 3.16Å; R437-E588 IonicContact NH1-OE2 3.87Å; R437-E588 VanDerWaalsContact NH2-CD 3.32Å; R437-E588 IonicContact NH2-OE1 3.24Å; R437-E588 PolarHBondContact NH2-OE1 2.98Å; R437-E588 IonicContact NH2-OE2 3.71Å; R437-E588 PolarHBondContact NH2-OE2 3.11Å; R461-E588 VanDerWaalsContact CD-OE1 3.31Å; R461-E588 WeakPolarHBondContact CD-OE1 3.43Å; R461-E588 IonicContact CZ-OE1 2.86Å; R461-E588 IonicContact NH1-OE1 3.55Å; R461-E588 PolarHBondContact NH1-OE1 2.72Å; R461-E588 IonicContact NH1-OE2 2.74Å; R461-E588 PolarHBondContact NH1-OE2 3.09Å; F584-E588 HydrophobicContact CE1-CB 4.36Å; F584-E588 HydrophobicContact CE1-CG 4.5Å; F584-E588 PolarHBondContact O-N 2.98Å; W585-E588 HydrophobicContact CE3-CB 4.04Å; W585-E588 HydrophobicContact CE3-CG 4.03Å; W585-E588 HydrophobicContact CZ3-CG 4.03Å; W585-E588 PolarHBondContact O-N 3.48Å; E588-E591 PolarHBondContact O-N 2.88Å; E588-I592 HydrophobicContact CG-CD1 4.02Å; E588-I592 WeakPolarHBondContact O-CD1 3.49Å; E588-I592 VanDerWaalsContact O-CG1 3.24Å; E588-I592 WeakPolarHBondContact O-CG1 3.45Å; E588-I592 PolarHBondContact O-N 3.4Å
589V98.1Very high97.8Very high11 Ų1153.8 Ų53.87%0.06726%0.258CS..Hα-helixtrans-67.8-37.7179.770.30000111.9W585 E586 I592 K593 V612 L615 E616W585-V589 WeakPolarHBondContact O-CG1 3.41Å; W585-V589 PolarHBondContact O-N 3.37Å; E586-V589 WeakPolarHBondContact O-CG1 3.39Å; V589-I592 PolarHBondContact O-N 3.1Å; V589-K593 WeakPolarHBondContact O-CB 3.47Å; V589-K593 PolarHBondContact O-N 3.25Å; V589-V612 HydrophobicContact CG2-CG1 4.14Å; V589-L615 HydrophobicContact CB-CD2 4.26Å; V589-L615 HydrophobicContact CG2-CD2 4.07Å; V589-L615 HydrophobicContact CG2-CG 4.23Å; V589-E616 HydrophobicContact CG1-CG 4.46Å; V589-E616 HydrophobicContact CG2-CB 4.09Å
590E98.2Very high97.8Very high81 Ų8149 Ų4938%0.37924%0.236SC..Hα-helixtrans-64.9-43.9176-178.756-154.400111.3E586 I592 K593 Q594E586-E590 WeakPolarHBondContact O-CB 3.48Å; E586-E590 PolarHBondContact O-N 3.25Å; E590-I592 PolarHBondContact O-N 3.23Å; E590-K593 WeakPolarHBondContact O-CB 3.43Å; E590-K593 PolarHBondContact O-N 2.93Å; E590-Q594 WeakPolarHBondContact O-CG 3.34Å; E590-Q594 PolarHBondContact O-N 3.26Å; E590-Q594 PolarHBondContact OE1-NE2 3.38Å
591E98Very high97.8Very high71 Ų7150.8 Ų50.833%0.33224%0.244SC..Hα-helixtrans-59.8-45.9174.2178.684.2160.200111.9R461 H477 K587 E588 K593 Q594 Y595R461-E591 IonicContact CZ-OE1 2.94Å; R461-E591 IonicContact NH2-OE1 3.38Å; R461-E591 PolarHBondContact NH2-OE1 3.31Å; H477-E591 IonicContact NE2-OE1 2.7Å; K587-E591 WeakPolarHBondContact O-CB 3.4Å; K587-E591 PolarHBondContact O-N 2.78Å; E588-E591 PolarHBondContact O-N 2.88Å; E591-K593 VanDerWaalsContact C-N 3.29Å; E591-K593 PolarHBondContact O-N 2.95Å; E591-Q594 PolarHBondContact O-N 3.38Å; E591-Y595 WeakPolarHBondContact O-CB 3.24Å; E591-Y595 PolarHBondContact O-N 2.94Å
592I98.1Very high97.9Very high4 Ų452.6 Ų52.62%0.02126%0.261CS..Hα-helixtrans-60.2-43177.7-70.3161.1000110.5F455 A459 E588 V589 E590 Y595 F596 V612F455-I592 HydrophobicContact CE2-CG2 4.05Å; A459-I592 HydrophobicContact CB-CD1 3.75Å; A459-I592 HydrophobicContact CB-CG1 4.14Å; A459-I592 HydrophobicContact CB-CG2 4.35Å; E588-I592 HydrophobicContact CG-CD1 4.02Å; E588-I592 WeakPolarHBondContact O-CD1 3.49Å; E588-I592 VanDerWaalsContact O-CG1 3.24Å; E588-I592 WeakPolarHBondContact O-CG1 3.45Å; E588-I592 PolarHBondContact O-N 3.4Å; V589-I592 PolarHBondContact O-N 3.1Å; E590-I592 PolarHBondContact O-N 3.23Å; I592-Y595 PolarHBondContact O-N 2.89Å; I592-F596 HydrophobicContact CG2-CD2 3.8Å; I592-F596 HydrophobicContact CG2-CE1 4.3Å; I592-F596 HydrophobicContact CG2-CE2 3.43Å; I592-F596 VanDerWaalsContact CG2-CE2 3.43Å; I592-F596 HydrophobicContact CG2-CG 4.38Å; I592-F596 HydrophobicContact CG2-CZ 3.71Å; I592-F596 WeakPolarHBondContact O-CG 3.49Å; I592-F596 PolarHBondContact O-N 3.42Å; I592-V612 HydrophobicContact CG2-CG2 4.3Å
593K97.9Very high97.9Very high86 Ų8649.6 Ų49.637%0.37425%0.249SC..Hα-helixtrans-62.2-48.8178.3-176-178.7177.9-176.60111.5V589 E590 E591 Y595 F596 E597 V612V589-K593 WeakPolarHBondContact O-CB 3.47Å; V589-K593 PolarHBondContact O-N 3.25Å; E590-K593 WeakPolarHBondContact O-CB 3.43Å; E590-K593 PolarHBondContact O-N 2.93Å; E591-K593 VanDerWaalsContact C-N 3.29Å; E591-K593 PolarHBondContact O-N 2.95Å; K593-Y595 VanDerWaalsContact C-N 3.3Å; K593-Y595 PolarHBondContact O-N 3.33Å; K593-F596 PolarHBondContact O-N 2.87Å; K593-E597 WeakPolarHBondContact O-CB 3.21Å; K593-E597 PolarHBondContact O-N 3.47Å; K593-V612 HydrophobicContact CB-CG1 4.27Å
594Q97.5Very high97.9Very high103 Ų10345.8 Ų45.848%0.48123%0.232SC..Hα-helixtrans-61-40.6176.8-70.8178.213.300111.7E590 E591 G598E590-Q594 WeakPolarHBondContact O-CG 3.34Å; E590-Q594 PolarHBondContact O-N 3.26Å; E590-Q594 PolarHBondContact OE1-NE2 3.38Å; E591-Q594 PolarHBondContact O-N 3.38Å; Q594-G598 PolarHBondContact O-N 2.81Å
595Y98.1Very high98Very high14 Ų1444.7 Ų44.76%0.05523%0.229CC..Hα-helixtrans-63.4-48.8175.9175.8-104.2000112L113 H477 E591 I592 K593 G598 Q599L113-Y595 VanDerWaalsContact CD2-OH 3.26Å; L113-Y595 WeakPolarHBondContact CD2-OH 3.3Å; H477-Y595 HydrophobicContact CB-CD1 4.34Å; H477-Y595 HydrophobicContact CB-CD2 3.96Å; H477-Y595 HydrophobicContact CB-CE1 3.9Å; H477-Y595 HydrophobicContact CB-CE2 3.45Å; H477-Y595 VanDerWaalsContact CB-CE2 3.45Å; H477-Y595 HydrophobicContact CB-CG 4.38Å; H477-Y595 VanDerWaalsContact CB-CZ 3.42Å; H477-Y595 AromaticContact CD2-CD2 3.5Å; H477-Y595 VanDerWaalsContact CD2-CD2 3.5Å; H477-Y595 WeakPolarHBondContact CD2-CD2 3.33Å; H477-Y595 AromaticContact CD2-CE2 3.91Å; H477-Y595 AromaticContact CD2-CG 3.78Å; H477-Y595 VanDerWaalsContact CE1-CB 3.49Å; H477-Y595 WeakPolarHBondContact CE1-CB 3.41Å; H477-Y595 AromaticContact CE1-CD1 3.73Å; H477-Y595 AromaticContact CE1-CG 3.47Å; H477-Y595 VanDerWaalsContact CE1-CG 3.47Å; H477-Y595 AromaticContact CG-CD1 3.79Å; H477-Y595 AromaticContact CG-CD2 3.47Å; H477-Y595 VanDerWaalsContact CG-CD2 3.47Å; H477-Y595 AromaticContact CG-CE1 3.86Å; H477-Y595 AromaticContact CG-CE2 3.53Å; H477-Y595 AromaticContact CG-CG 3.6Å; H477-Y595 AromaticContact CG-CZ 3.74Å; H477-Y595 AromaticContact ND1-CD1 3.32Å; H477-Y595 VanDerWaalsContact ND1-CD1 3.32Å; H477-Y595 WeakPolarHBondContact ND1-CD1 3.38Å; H477-Y595 AromaticContact ND1-CD2 3.82Å; H477-Y595 AromaticContact ND1-CE1 3.68Å; H477-Y595 AromaticContact ND1-CG 3.42Å; H477-Y595 AromaticContact NE2-CD2 3.9Å; H477-Y595 AromaticContact NE2-CG 3.74Å; E591-Y595 WeakPolarHBondContact O-CB 3.24Å; E591-Y595 PolarHBondContact O-N 2.94Å; I592-Y595 PolarHBondContact O-N 2.89Å; K593-Y595 VanDerWaalsContact C-N 3.3Å; K593-Y595 PolarHBondContact O-N 3.33Å; Y595-G598 PolarHBondContact O-N 3.35Å; Y595-Q599 HydrophobicContact CD2-CB 4.31Å; Y595-Q599 HydrophobicContact CD2-CG 3.7Å; Y595-Q599 HydrophobicContact CE2-CB 4.04Å; Y595-Q599 HydrophobicContact CE2-CG 3.56Å; Y595-Q599 VanDerWaalsContact O-CB 3.25Å; Y595-Q599 WeakPolarHBondContact O-CB 3.25Å; Y595-Q599 PolarHBondContact O-N 2.85Å
596F98.3Very high98Very high3 Ų351.2 Ų51.21%0.01325%0.254CS..Hα-helixtrans-65.2-44.1179.6-70.2-13.3000112.3F455 A458 I592 K593 G598 I600 N601 L604 I608 V612F455-F596 HydrophobicContact CD2-CE2 4.1Å; F455-F596 AromaticContact CE2-CE2 3.98Å; F455-F596 HydrophobicContact CE2-CE2 3.98Å; A458-F596 HydrophobicContact CB-CE1 4.2Å; A458-F596 HydrophobicContact CB-CZ 3.74Å; I592-F596 HydrophobicContact CG2-CD2 3.8Å; I592-F596 HydrophobicContact CG2-CE1 4.3Å; I592-F596 HydrophobicContact CG2-CE2 3.43Å; I592-F596 VanDerWaalsContact CG2-CE2 3.43Å; I592-F596 HydrophobicContact CG2-CG 4.38Å; I592-F596 HydrophobicContact CG2-CZ 3.71Å; I592-F596 WeakPolarHBondContact O-CG 3.49Å; I592-F596 PolarHBondContact O-N 3.42Å; K593-F596 PolarHBondContact O-N 2.87Å; F596-G598 VanDerWaalsContact C-N 3.32Å; F596-G598 PolarHBondContact O-N 3.26Å; F596-I600 HydrophobicContact CB-CD1 4.26Å; F596-I600 HydrophobicContact CD1-CD1 3.39Å; F596-I600 HydrophobicContact CD1-CG1 4.31Å; F596-I600 HydrophobicContact CE1-CD1 3.94Å; F596-I600 HydrophobicContact CG-CD1 3.98Å; F596-I600 WeakPolarHBondContact O-CA 3.41Å; F596-I600 WeakPolarHBondContact O-CB 3.41Å; F596-I600 PolarHBondContact O-N 3.3Å; F596-N601 PolarHBondContact O-N 3.12Å; F596-L604 HydrophobicContact CB-CD1 4.24Å; F596-L604 HydrophobicContact CB-CD2 4.12Å; F596-L604 HydrophobicContact CD2-CD1 4.17Å; F596-L604 HydrophobicContact CG-CD1 4.21Å; F596-I608 HydrophobicContact CD2-CG2 4.21Å; F596-I608 HydrophobicContact CE2-CG2 3.7Å; F596-I608 HydrophobicContact CZ-CG2 4.3Å; F596-V612 HydrophobicContact CD2-CG2 3.79Å; F596-V612 HydrophobicContact CE2-CG2 3.81Å
597E96.7Very high98Very high90 Ų9050.9 Ų50.942%0.42125%0.253SS..Hα-helixtrans-61.8-42.5175.2-172.6-177.8172.700111.3K107 K593 N601K107-E597 HydrophobicContact CD-CG 4.23Å; K107-E597 IonicContact NZ-OE1 2.61Å; K107-E597 PolarHBondContact NZ-OE1 3.41Å; K593-E597 WeakPolarHBondContact O-CB 3.21Å; K593-E597 PolarHBondContact O-N 3.47Å; E597-N601 WeakPolarHBondContact O-CA 3.27Å; E597-N601 WeakPolarHBondContact O-CB 3.39Å
598G97.4Very high98Very high20 Ų2044.7 Ų44.721%0.20623%0.226CC..Hα-helixtrans-73.5-40.1-177.600000114.2P106 K107 Q594 Y595 F596P106-G598 CarbonylContact C-O 3.56Å; P106-G598 VanDerWaalsContact CA-O 3.25Å; P106-G598 WeakPolarHBondContact CA-O 3.25Å; P106-G598 WeakPolarHBondContact CB-O 3.38Å; K107-G598 PolarHBondContact N-O 3.34Å; Q594-G598 PolarHBondContact O-N 2.81Å; Y595-G598 PolarHBondContact O-N 3.35Å; F596-G598 VanDerWaalsContact C-N 3.32Å; F596-G598 PolarHBondContact O-N 3.26Å
599Q98.3Very high98Very high15 Ų1548.7 Ų48.77%0.0724%0.244CC..Hα-helixtrans-106.7-28.1-168.4-64.3-63.3-55.600114.5P104 L113 Y595P104-Q599 WeakPolarHBondContact CB-O 3.47Å; L113-Q599 HydrophobicContact CD1-CB 3.91Å; Y595-Q599 HydrophobicContact CD2-CB 4.31Å; Y595-Q599 HydrophobicContact CD2-CG 3.7Å; Y595-Q599 HydrophobicContact CE2-CB 4.04Å; Y595-Q599 HydrophobicContact CE2-CG 3.56Å; Y595-Q599 VanDerWaalsContact O-CB 3.25Å; Y595-Q599 WeakPolarHBondContact O-CB 3.25Å; Y595-Q599 PolarHBondContact O-N 2.85Å
600I97.8Very high98Very high0 Ų055 Ų550%027%0.267CS..THydrogen-bonded Turntrans-106.7-38.7-178.4-44.7178.1000110.3P104 L113 F490 L494 F596 A602 D603 L604P104-I600 WeakPolarHBondContact CB-O 3.46Å; P104-I600 HydrophobicContact CG-CG2 4.32Å; L113-I600 HydrophobicContact CD1-CG1 4.2Å; F490-I600 HydrophobicContact CD1-CD1 3.69Å; F490-I600 HydrophobicContact CD1-CG1 3.95Å; F490-I600 HydrophobicContact CE1-CD1 3.49Å; F490-I600 VanDerWaalsContact CE1-CD1 3.49Å; F490-I600 HydrophobicContact CE1-CG1 4.21Å; L494-I600 HydrophobicContact CD1-CD1 4.09Å; F596-I600 HydrophobicContact CB-CD1 4.26Å; F596-I600 HydrophobicContact CD1-CD1 3.39Å; F596-I600 HydrophobicContact CD1-CG1 4.31Å; F596-I600 HydrophobicContact CE1-CD1 3.94Å; F596-I600 HydrophobicContact CG-CD1 3.98Å; F596-I600 WeakPolarHBondContact O-CA 3.41Å; F596-I600 WeakPolarHBondContact O-CB 3.41Å; F596-I600 PolarHBondContact O-N 3.3Å; I600-A602 PolarHBondContact O-N 2.87Å; I600-D603 HydrophobicContact CG2-CB 4.32Å; I600-D603 PolarHBondContact O-N 3.34Å; I600-D603 VanDerWaalsContact O-N 3.09Å; I600-L604 HydrophobicContact CB-CB 4.34Å; I600-L604 HydrophobicContact CB-CD1 4.48Å; I600-L604 HydrophobicContact CD1-CD1 3.95Å; I600-L604 HydrophobicContact CG2-CB 4.01Å; I600-L604 HydrophobicContact CG2-CD1 4.32Å
601N96.8Very high98.1Very high65 Ų6552.4 Ų52.435%0.34826%0.255SS..G310 helixtrans52.1-123.7171.3-17213.2000111.3I105 F596 E597 D603 L604I105-N601 PolarHBondContact O-ND2 2.94Å; F596-N601 PolarHBondContact O-N 3.12Å; E597-N601 WeakPolarHBondContact O-CA 3.27Å; E597-N601 WeakPolarHBondContact O-CB 3.39Å; N601-D603 PolarHBondContact O-N 3.43Å; N601-D603 VanDerWaalsContact O-N 3.1Å; N601-L604 WeakPolarHBondContact O-CB 3.34Å; N601-L604 PolarHBondContact O-N 3.28Å; N601-L604 VanDerWaalsContact O-N 3.16Å
602A97.7Very high98.1Very high77 Ų7749.4 Ų49.464%0.63624%0.242SC*.G310 helixtrans-67.1-10.4-175.700000114.8I600I600-A602 PolarHBondContact O-N 2.87Å
603D98.4Very high98.1Very high10 Ų1053.4 Ų53.45%0.05326%0.263CS..G310 helixtrans-962.3177.3-70.1-49.5000113.3R100 P104 N489 G491 K492 I600 N601 P605R100-D603 IonicContact CZ-OD1 3.11Å; R100-D603 VanDerWaalsContact CZ-OD1 3.3Å; R100-D603 IonicContact CZ-OD2 2.98Å; R100-D603 IonicContact NE-OD1 2.65Å; R100-D603 PolarHBondContact NE-OD1 3.12Å; R100-D603 VanDerWaalsContact NE-OD1 3.11Å; R100-D603 IonicContact NE-OD2 2.72Å; R100-D603 PolarHBondContact NE-OD2 2.91Å; R100-D603 IonicContact NH2-OD1 2.68Å; R100-D603 PolarHBondContact NH2-OD1 3.42Å; R100-D603 IonicContact NH2-OD2 3.3Å; P104-D603 HydrophobicContact CB-CB 4.27Å; N489-D603 PolarHBondContact ND2-OD2 3.15Å; G491-D603 VanDerWaalsContact CA-O 3.23Å; G491-D603 WeakPolarHBondContact CA-O 3.37Å; K492-D603 IonicContact NZ-OD1 2.84Å; I600-D603 HydrophobicContact CG2-CB 4.32Å; I600-D603 PolarHBondContact O-N 3.34Å; I600-D603 VanDerWaalsContact O-N 3.09Å; N601-D603 PolarHBondContact O-N 3.43Å; N601-D603 VanDerWaalsContact O-N 3.1Å; D603-P605 VanDerWaalsContact O-CD 3.29Å; D603-P605 WeakPolarHBondContact O-CD 3.45Å
604L98.6Very high98.1Very high39 Ų3950.9 Ų50.920%0.20426%0.257CS..  trans-67.5120.7177.9-177.266.7000110.3F596 I600 N601 I608 E609F596-L604 HydrophobicContact CB-CD1 4.24Å; F596-L604 HydrophobicContact CB-CD2 4.12Å; F596-L604 HydrophobicContact CD2-CD1 4.17Å; F596-L604 HydrophobicContact CG-CD1 4.21Å; I600-L604 HydrophobicContact CB-CB 4.34Å; I600-L604 HydrophobicContact CB-CD1 4.48Å; I600-L604 HydrophobicContact CD1-CD1 3.95Å; I600-L604 HydrophobicContact CG2-CB 4.01Å; I600-L604 HydrophobicContact CG2-CD1 4.32Å; N601-L604 WeakPolarHBondContact O-CB 3.34Å; N601-L604 PolarHBondContact O-N 3.28Å; N601-L604 VanDerWaalsContact O-N 3.16Å; L604-I608 HydrophobicContact CD1-CB 3.96Å; L604-I608 HydrophobicContact CD1-CG2 3.77Å; L604-E609 HydrophobicContact CD2-CB 4.04Å
605P98.7Very high98.2Very high15 Ų1546.1 Ų46.110%0.09724%0.235CC..  trans-64.6140.2175-21.534.1000111.4G491 L494 A495 L498 D603 E607 I608 E609G491-P605 WeakPolarHBondContact O-CG 3.14Å; L494-P605 HydrophobicContact CB-CG 3.76Å; A495-P605 HydrophobicContact CB-CG 4.22Å; L498-P605 HydrophobicContact CD1-CB 3.72Å; L498-P605 HydrophobicContact CD1-CG 4.21Å; D603-P605 VanDerWaalsContact O-CD 3.29Å; D603-P605 WeakPolarHBondContact O-CD 3.45Å; P605-E607 PolarHBondContact O-N 3.32Å; P605-I608 HydrophobicContact CB-CG1 4.18Å; P605-I608 HydrophobicContact CG-CG1 4.31Å; P605-I608 WeakPolarHBondContact O-CB 3.46Å; P605-I608 PolarHBondContact O-N 2.98Å; P605-E609 PolarHBondContact O-N 2.68Å
606Y98.4Very high98.2Very high148 Ų14847.6 Ų47.658%0.5824%0.243SC*.Hα-helixtrans-58.1-34-177.6177.8-111.3000112.8I608 E609 R610Y606-I608 VanDerWaalsContact C-N 3.29Å; Y606-I608 PolarHBondContact O-N 3.47Å; Y606-E609 PolarHBondContact O-N 2.87Å; Y606-R610 HydrophobicContact CD1-CG 4.32Å; Y606-R610 HydrophobicContact CE1-CG 3.9Å; Y606-R610 HydrophobicContact CE2-CG 4.2Å; Y606-R610 WeakPolarHBondContact O-CG 3.5Å; Y606-R610 PolarHBondContact O-N 3.41Å
607E98.6Very high98.2Very high77 Ų7754 Ų5436%0.3627%0.27SS..Hα-helixtrans-63-35.2176.4-60.786.8164.200112.2L498 P605 R610 E611L498-E607 HydrophobicContact CD1-CB 3.92Å; L498-E607 HydrophobicContact CD1-CG 4.41Å; L498-E607 HydrophobicContact CD2-CB 4.14Å; P605-E607 PolarHBondContact O-N 3.32Å; E607-R610 PolarHBondContact O-N 2.93Å; E607-E611 WeakPolarHBondContact O-CG 3.48Å; E607-E611 PolarHBondContact O-N 3.07Å; E607-E611 VanDerWaalsContact O-N 3.12Å
608I98.8Very high98.2Very high0 Ų052.4 Ų52.40%026%0.261CS..Hα-helixtrans-73.6-42178-56.2-59.3000110.4V454 F455 L494 L498 F596 L604 P605 Y606 R610 E611 V612V454-I608 HydrophobicContact CB-CD1 4.28Å; V454-I608 HydrophobicContact CG1-CD1 3.79Å; F455-I608 HydrophobicContact CB-CD1 4.33Å; F455-I608 HydrophobicContact CD2-CG2 4.19Å; L494-I608 HydrophobicContact CB-CG1 4.45Å; L494-I608 HydrophobicContact CD1-CG1 4.31Å; L498-I608 HydrophobicContact CD1-CD1 4.12Å; L498-I608 HydrophobicContact CD1-CG1 4.09Å; L498-I608 HydrophobicContact CD2-CD1 4.28Å; L498-I608 HydrophobicContact CG-CD1 4.46Å; F596-I608 HydrophobicContact CD2-CG2 4.21Å; F596-I608 HydrophobicContact CE2-CG2 3.7Å; F596-I608 HydrophobicContact CZ-CG2 4.3Å; L604-I608 HydrophobicContact CD1-CB 3.96Å; L604-I608 HydrophobicContact CD1-CG2 3.77Å; P605-I608 HydrophobicContact CB-CG1 4.18Å; P605-I608 HydrophobicContact CG-CG1 4.31Å; P605-I608 WeakPolarHBondContact O-CB 3.46Å; P605-I608 PolarHBondContact O-N 2.98Å; Y606-I608 VanDerWaalsContact C-N 3.29Å; Y606-I608 PolarHBondContact O-N 3.47Å; I608-R610 VanDerWaalsContact C-N 3.27Å; I608-R610 PolarHBondContact O-N 3.43Å; I608-E611 PolarHBondContact O-N 3.46Å; I608-E611 VanDerWaalsContact O-N 3.16Å; I608-V612 WeakPolarHBondContact O-CG2 3.42Å; I608-V612 PolarHBondContact O-N 3.03Å; I608-V612 VanDerWaalsContact O-N 3.08Å
609E98.1Very high98.2Very high93 Ų9351.5 Ų51.544%0.43525%0.251SS..Hα-helixtrans-58.2-41.8172.8-174.1-179.2-166.500111.3L604 P605 Y606 E611 V612 L613L604-E609 HydrophobicContact CD2-CB 4.04Å; P605-E609 PolarHBondContact O-N 2.68Å; Y606-E609 PolarHBondContact O-N 2.87Å; E609-E611 VanDerWaalsContact C-N 3.34Å; E609-E611 PolarHBondContact O-N 3.26Å; E609-V612 WeakPolarHBondContact O-CB 3.38Å; E609-V612 PolarHBondContact O-N 3.06Å; E609-L613 WeakPolarHBondContact O-CG 3.38Å; E609-L613 PolarHBondContact O-N 3.46Å
610R98.4Very high98.1Very high144 Ų14456.5 Ų56.554%0.54327%0.272SS..Hα-helixtrans-61.5-39.1174.9-78.6-176.261.3-171.63.7113.2Y606 E607 I608 L613 A614Y606-R610 HydrophobicContact CD1-CG 4.32Å; Y606-R610 HydrophobicContact CE1-CG 3.9Å; Y606-R610 HydrophobicContact CE2-CG 4.2Å; Y606-R610 WeakPolarHBondContact O-CG 3.5Å; Y606-R610 PolarHBondContact O-N 3.41Å; E607-R610 PolarHBondContact O-N 2.93Å; I608-R610 VanDerWaalsContact C-N 3.27Å; I608-R610 PolarHBondContact O-N 3.43Å; R610-L613 PolarHBondContact O-N 2.93Å; R610-A614 VanDerWaalsContact O-CB 3.27Å; R610-A614 WeakPolarHBondContact O-CB 3.35Å; R610-A614 PolarHBondContact O-N 3.06Å
611E98.8Very high98Very high26 Ų2663.4 Ų63.412%0.12131%0.305CS..Hα-helixtrans-68.3-34176.4-71.9-60152.500112.3H452 F455 E607 I608 E609 A614 L615H452-E611 IonicContact CD2-OE2 3.65Å; H452-E611 PolarHBondContact CD2-OE2 3Å; H452-E611 VanDerWaalsContact CD2-OE2 3.24Å; H452-E611 IonicContact CG-OE2 3.26Å; F455-E611 HydrophobicContact CB-CB 3.6Å; F455-E611 HydrophobicContact CB-CG 3.99Å; F455-E611 HydrophobicContact CD1-CB 3.98Å; F455-E611 HydrophobicContact CD2-CB 3.98Å; F455-E611 HydrophobicContact CG-CB 3.56Å; F455-E611 HydrophobicContact CG-CG 4.44Å; E607-E611 WeakPolarHBondContact O-CG 3.48Å; E607-E611 PolarHBondContact O-N 3.07Å; E607-E611 VanDerWaalsContact O-N 3.12Å; I608-E611 PolarHBondContact O-N 3.46Å; I608-E611 VanDerWaalsContact O-N 3.16Å; E609-E611 VanDerWaalsContact C-N 3.34Å; E609-E611 PolarHBondContact O-N 3.26Å; E611-A614 PolarHBondContact O-N 3.4Å; E611-L615 WeakPolarHBondContact O-CB 3.37Å; E611-L615 PolarHBondContact O-N 3.49Å
612V98.4Very high97.8Very high9 Ų965.2 Ų65.26%0.05531%0.314CS..Hα-helixtrans-60.2-51.3170.7176.10000110.5F455 V589 I592 K593 F596 I608 E609 A614 L615 E616F455-V612 HydrophobicContact CD2-CG2 4.13Å; F455-V612 HydrophobicContact CE2-CB 4.47Å; F455-V612 HydrophobicContact CE2-CG2 3.55Å; F455-V612 HydrophobicContact CZ-CG2 4.43Å; V589-V612 HydrophobicContact CG2-CG1 4.14Å; I592-V612 HydrophobicContact CG2-CG2 4.3Å; K593-V612 HydrophobicContact CB-CG1 4.27Å; F596-V612 HydrophobicContact CD2-CG2 3.79Å; F596-V612 HydrophobicContact CE2-CG2 3.81Å; I608-V612 WeakPolarHBondContact O-CG2 3.42Å; I608-V612 PolarHBondContact O-N 3.03Å; I608-V612 VanDerWaalsContact O-N 3.08Å; E609-V612 WeakPolarHBondContact O-CB 3.38Å; E609-V612 PolarHBondContact O-N 3.06Å; V612-A614 VanDerWaalsContact C-N 3.3Å; V612-A614 PolarHBondContact O-N 3.14Å; V612-L615 PolarHBondContact O-N 3.49Å; V612-E616 PolarHBondContact O-N 2.94Å
613L98.4Very high97.8Very high88 Ų8864.6 Ų64.646%0.46130%0.298SS..Hα-helixtrans-63.2-37.3179.1-65.9173.9000112E609 R610 E616 K617E609-L613 WeakPolarHBondContact O-CG 3.38Å; E609-L613 PolarHBondContact O-N 3.46Å; R610-L613 PolarHBondContact O-N 2.93Å; L613-E616 PolarHBondContact O-N 3.12Å; L613-K617 WeakPolarHBondContact O-CB 3.36Å; L613-K617 PolarHBondContact O-N 3.3Å
614A98.6Very high97.7Very high32 Ų3267.5 Ų67.526%0.26431%0.311SS..Hα-helixtrans-67.3-41.617700000111.6R610 E611 V612 K617 R618R610-A614 VanDerWaalsContact O-CB 3.27Å; R610-A614 WeakPolarHBondContact O-CB 3.35Å; R610-A614 PolarHBondContact O-N 3.06Å; E611-A614 PolarHBondContact O-N 3.4Å; V612-A614 VanDerWaalsContact C-N 3.3Å; V612-A614 PolarHBondContact O-N 3.14Å; A614-K617 PolarHBondContact O-N 3.47Å; A614-R618 WeakPolarHBondContact O-CG 3.43Å; A614-R618 PolarHBondContact O-N 3.4Å
615L98.4Very high97.7Very high3 Ų369.1 Ų69.12%0.01632%0.317CS..Hα-helixtrans-60.7-50.5172.8176.262.1000110.7F455 A554 I555 V589 E611 V612 K617 R618 I619F455-L615 HydrophobicContact CE1-CD2 3.96Å; F455-L615 HydrophobicContact CZ-CD2 3.79Å; A554-L615 WeakPolarHBondContact O-CD1 3.49Å; I555-L615 HydrophobicContact CG2-CD1 4.08Å; V589-L615 HydrophobicContact CB-CD2 4.26Å; V589-L615 HydrophobicContact CG2-CD2 4.07Å; V589-L615 HydrophobicContact CG2-CG 4.23Å; E611-L615 WeakPolarHBondContact O-CB 3.37Å; E611-L615 PolarHBondContact O-N 3.49Å; V612-L615 PolarHBondContact O-N 3.49Å; L615-K617 VanDerWaalsContact C-N 3.28Å; L615-K617 PolarHBondContact O-N 3.01Å; L615-R618 PolarHBondContact O-N 2.91Å; L615-I619 HydrophobicContact CD1-CD1 4.2Å; L615-I619 HydrophobicContact CD1-CG1 3.85Å; L615-I619 HydrophobicContact CG-CG1 4.24Å; L615-I619 WeakPolarHBondContact O-CG1 3.48Å; L615-I619 PolarHBondContact O-N 2.92Å
616E98Very high97.6Very high46 Ų4672.2 Ų72.222%0.21533%0.329CS..Hα-helixtrans-54.5-45.2178.8-170-171.9177.700111.4V589 V612 L613 I619 K620V589-E616 HydrophobicContact CG1-CG 4.46Å; V589-E616 HydrophobicContact CG2-CB 4.09Å; V612-E616 PolarHBondContact O-N 2.94Å; L613-E616 PolarHBondContact O-N 3.12Å; E616-I619 PolarHBondContact O-N 3.36Å; E616-K620 HydrophobicContact CG-CD 4.42Å; E616-K620 WeakPolarHBondContact O-CG 3.48Å; E616-K620 PolarHBondContact O-N 2.91Å; E616-K620 VanDerWaalsContact OE1-CE 3.3Å; E616-K620 WeakPolarHBondContact OE1-CE 3.19Å; E616-K620 IonicContact OE1-NZ 3.26Å; E616-K620 PolarHBondContact OE1-NZ 3.35Å
617K98.3Very high97.6Very high136 Ų13667.5 Ų67.559%0.59131%0.314SS*.Hα-helixtrans-61.7-44.3176.8-175.7179.5178.4-178.70112.4L613 A614 L615 K620 Q621L613-K617 WeakPolarHBondContact O-CB 3.36Å; L613-K617 PolarHBondContact O-N 3.3Å; A614-K617 PolarHBondContact O-N 3.47Å; L615-K617 VanDerWaalsContact C-N 3.28Å; L615-K617 PolarHBondContact O-N 3.01Å; K617-K620 PolarHBondContact O-N 2.87Å; K617-Q621 WeakPolarHBondContact O-CG 3.37Å; K617-Q621 PolarHBondContact O-N 2.71Å
618R98.4Very high97.5Very high57 Ų5766.9 Ų66.922%0.21531%0.311CS..Hα-helixtrans-65.8-39.3179-70.1-175.5-56.5-101.65.5111.8H452 A554 A614 L615 Q621 L622H452-R618 PolarHBondContact NE2-NH2 2.74Å; A554-R618 HydrophobicContact CB-CB 3.8Å; A554-R618 PolarHBondContact O-NE 3.28Å; A614-R618 WeakPolarHBondContact O-CG 3.43Å; A614-R618 PolarHBondContact O-N 3.4Å; L615-R618 PolarHBondContact O-N 2.91Å; R618-Q621 PolarHBondContact O-N 2.98Å; R618-L622 PolarHBondContact O-N 2.8Å
619I97.6Very high97.4Very high1 Ų171.6 Ų71.61%0.00533%0.333CS..Hα-helixtrans-67.4-40.1177.8-64.3-60.2000111.9A554 I555 K582 W585 E586 L615 E616 Q621 L622A554-I619 HydrophobicContact CB-CD1 3.51Å; A554-I619 HydrophobicContact CB-CG1 4.36Å; I555-I619 HydrophobicContact CG2-CD1 4.28Å; K582-I619 WeakPolarHBondContact CE-O 3.4Å; K582-I619 HydrophobicContact CG-CG2 4.25Å; W585-I619 HydrophobicContact CB-CD1 3.4Å; W585-I619 HydrophobicContact CB-CG1 3.93Å; W585-I619 HydrophobicContact CB-CG2 4.11Å; W585-I619 HydrophobicContact CG-CD1 3.9Å; E586-I619 HydrophobicContact CG-CG2 3.6Å; L615-I619 HydrophobicContact CD1-CD1 4.2Å; L615-I619 HydrophobicContact CD1-CG1 3.85Å; L615-I619 HydrophobicContact CG-CG1 4.24Å; L615-I619 WeakPolarHBondContact O-CG1 3.48Å; L615-I619 PolarHBondContact O-N 2.92Å; E616-I619 PolarHBondContact O-N 3.36Å; I619-Q621 PolarHBondContact O-N 3.28Å; I619-Q621 VanDerWaalsContact O-N 3.14Å; I619-L622 HydrophobicContact CD1-CD1 3.7Å; I619-L622 WeakPolarHBondContact O-CB 3.5Å; I619-L622 PolarHBondContact O-N 2.65Å; I619-L622 VanDerWaalsContact O-N 3.12Å
620K95.9Very high97.4Very high120 Ų12070 Ų7052%0.52233%0.325SS..Hα-helixtrans-59.8-25.8175.9-76.3175.2-177.6170.10113.2K582 E616 K617K582-K620 PolarHBondContact NZ-O 3.43Å; E616-K620 HydrophobicContact CG-CD 4.42Å; E616-K620 WeakPolarHBondContact O-CG 3.48Å; E616-K620 PolarHBondContact O-N 2.91Å; E616-K620 VanDerWaalsContact OE1-CE 3.3Å; E616-K620 WeakPolarHBondContact OE1-CE 3.19Å; E616-K620 IonicContact OE1-NZ 3.26Å; E616-K620 PolarHBondContact OE1-NZ 3.35Å; K617-K620 PolarHBondContact O-N 2.87Å
621Q95.3Very high97.3Very high145 Ų14563.8 Ų63.868%0.67831%0.307SS*.THydrogen-bonded Turntrans-90.6-6.6-179.5-67.1177.6-11.700114.5K617 R618 I619K617-Q621 WeakPolarHBondContact O-CG 3.37Å; K617-Q621 PolarHBondContact O-N 2.71Å; R618-Q621 PolarHBondContact O-N 2.98Å; I619-Q621 PolarHBondContact O-N 3.28Å; I619-Q621 VanDerWaalsContact O-N 3.14Å
622L91.4Very high97.1Very high103 Ų10367.3 Ų67.354%0.53932%0.324SS..  trans-65.80165.2-65.2176.6000109.9A554 V580 K582 R618 I619A554-L622 HydrophobicContact CB-CD1 3.95Å; A554-L622 HydrophobicContact CB-CD2 3.96Å; A554-L622 HydrophobicContact CB-CG 3.96Å; V580-L622 HydrophobicContact CG1-CD1 4.18Å; K582-L622 HydrophobicContact CB-CB 4.24Å; K582-L622 HydrophobicContact CB-CD1 4.45Å; K582-L622 HydrophobicContact CD-CB 4.41Å; K582-L622 WeakPolarHBondContact CD-OXT 3.34Å; K582-L622 WeakPolarHBondContact CE-OXT 3.3Å; K582-L622 HydrophobicContact CG-CB 4.37Å; K582-L622 PolarHBondContact NZ-OXT 2.61Å; R618-L622 PolarHBondContact O-N 2.8Å; I619-L622 HydrophobicContact CD1-CD1 3.7Å; I619-L622 WeakPolarHBondContact O-CB 3.5Å; I619-L622 PolarHBondContact O-N 2.65Å; I619-L622 VanDerWaalsContact O-N 3.12Å

Retrieved 622 of 622 residues in 255.1 ms (Link to these results)

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