A0A087XFE5_POEFO Loading...

Meteorin-like protein

AlphaFold DB , UniProt , Accession A0A087XFE5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 286 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
1M50.8Low52.9Low221 Ų221118.6 Ų118.6100%1.08966%0.658SS**  0-6.70-60.6-152.284.100114.6
2L48.4Very low53.1Low149 Ų149117.5 Ų117.578%0.7865%0.649SS**  trans-79.8-21.4177.3-138.376.5000114.2
3S54Low53.4Low105 Ų105117.5 Ų117.573%0.73465%0.646SS**Hα-helixtrans-80.7-26.1-174.3-154.10000114.3
4L48.9Very low53.5Low150 Ų150116.9 Ų116.979%0.78564%0.641SS**Hα-helixtrans-76.9-24.4177.9-112.986.4000113
5M51Low53.5Low127 Ų127116.5 Ų116.563%0.62664%0.637SS**Hα-helixtrans-75.6-37.8-179.2-69.5-67.7156.400111.4A7 S8 F9M5-A7 VanDerWaalsContact C-N 3.34Å; M5-A7 PolarHBondContact O-N 3.38Å; M5-S8 PolarHBondContact O-N 2.78Å; M5-S8 PolarHBondContact O-OG 3.44Å; M5-F9 WeakPolarHBondContact O-CD2 3.45Å; M5-F9 WeakPolarHBondContact O-CE2 3.36Å
6L50.5Low53.3Low117 Ų117114.8 Ų114.861%0.61363%0.634SS**Hα-helixtrans-66.3-31.6178.8-93.2115.3000113.7S8 F9L6-S8 VanDerWaalsContact C-N 3.26Å; L6-S8 PolarHBondContact O-N 3.35Å; L6-F9 PolarHBondContact O-N 2.86Å
7A54.2Low52.9Low71 Ų71119.8 Ų119.859%0.58764%0.642SS**Hα-helixtrans-69.8-22.1179.900000113.3M5 P11M5-A7 VanDerWaalsContact C-N 3.34Å; M5-A7 PolarHBondContact O-N 3.38Å; A7-P11 VanDerWaalsContact O-CD 3.29Å; A7-P11 WeakPolarHBondContact O-CD 3.34Å
8S55.5Low52.8Low69 Ų69120.6 Ų120.648%0.48364%0.644SS.*Hα-helixtrans-85.3-18.9178.983.30000114M5 L6 P11M5-S8 PolarHBondContact O-N 2.78Å; M5-S8 PolarHBondContact O-OG 3.44Å; L6-S8 VanDerWaalsContact C-N 3.26Å; L6-S8 PolarHBondContact O-N 3.35Å; S8-P11 WeakPolarHBondContact O-CD 3.44Å; S8-P11 WeakPolarHBondContact O-CG 3.21Å
9F54.3Low52.5Low115 Ų115118.9 Ų118.950%0.50464%0.643SS.*Hα-helixtrans-84.1-24.1-180-71.9-72.3000113.4M5 L6 L12 L13M5-F9 WeakPolarHBondContact O-CD2 3.45Å; M5-F9 WeakPolarHBondContact O-CE2 3.36Å; L6-F9 PolarHBondContact O-N 2.86Å; F9-L12 PolarHBondContact O-N 3.4Å; F9-L13 WeakPolarHBondContact O-CB 3.41Å; F9-L13 PolarHBondContact O-N 3.37Å
10L56.2Low52.1Low112 Ų112119.6 Ų119.659%0.58665%0.645SS**Hα-helixtrans-62-49.7175.7-105.692.7000113.9L12 L13 L14L10-L12 VanDerWaalsContact C-N 3.26Å; L10-L12 PolarHBondContact O-N 2.85Å; L10-L13 PolarHBondContact O-N 3.32Å; L10-L14 WeakPolarHBondContact O-CD1 3.33Å; L10-L14 PolarHBondContact O-N 2.94Å
11P57.7Low51.5Low69 Ų69119.2 Ų119.245%0.44865%0.65SS.*Hα-helixtrans-66.7-30.8178.523.9-31000111.7A7 S8 L14 L15A7-P11 VanDerWaalsContact O-CD 3.29Å; A7-P11 WeakPolarHBondContact O-CD 3.34Å; S8-P11 WeakPolarHBondContact O-CD 3.44Å; S8-P11 WeakPolarHBondContact O-CG 3.21Å; P11-L14 PolarHBondContact O-N 3.23Å; P11-L15 WeakPolarHBondContact O-CB 3.47Å; P11-L15 WeakPolarHBondContact O-CD1 3.45Å; P11-L15 WeakPolarHBondContact O-CG 3.43Å; P11-L15 PolarHBondContact O-N 3.34Å
12L55.8Low50.8Low105 Ų105117.5 Ų117.555%0.5564%0.64SS.*Hα-helixtrans-68.8-39.2176.2-155.978.3000112.2F9 L10 L15 C16F9-L12 PolarHBondContact O-N 3.4Å; L10-L12 VanDerWaalsContact C-N 3.26Å; L10-L12 PolarHBondContact O-N 2.85Å; L12-L15 PolarHBondContact O-N 3.32Å; L12-C16 WeakPolarHBondContact O-CB 3.33Å; L12-C16 PolarHBondContact O-N 3.4Å
13L57.5Low50.4Low117 Ų117119.3 Ų119.361%0.61364%0.637SS**Hα-helixtrans-68.2-35173.3-87.9155.3000112.5F9 L10 R17F9-L13 WeakPolarHBondContact O-CB 3.41Å; F9-L13 PolarHBondContact O-N 3.37Å; L10-L13 PolarHBondContact O-N 3.32Å; L13-R17 WeakPolarHBondContact O-CG 3.34Å; L13-R17 PolarHBondContact O-N 3Å; L13-R17 VanDerWaalsContact O-N 3.14Å
14L55Low49.6Very low110 Ų110118.6 Ų118.658%0.57663%0.632SS**Hα-helixtrans-70.4-38.5173.1-93.8116.7000112.4L10 P11 R17 I18L10-L14 WeakPolarHBondContact O-CD1 3.33Å; L10-L14 PolarHBondContact O-N 2.94Å; P11-L14 PolarHBondContact O-N 3.23Å; L14-R17 PolarHBondContact O-N 3.06Å; L14-I18 WeakPolarHBondContact O-CD1 3.33Å; L14-I18 WeakPolarHBondContact O-CG1 3.07Å; L14-I18 PolarHBondContact O-N 3.3Å
15L53.1Low49.4Very low111 Ų111113.5 Ų113.558%0.58161%0.61SS**Hα-helixtrans-67.7-36.4173.9-80.4154.1000112.4P11 L12 R17 I18 S19P11-L15 WeakPolarHBondContact O-CB 3.47Å; P11-L15 WeakPolarHBondContact O-CD1 3.45Å; P11-L15 WeakPolarHBondContact O-CG 3.43Å; P11-L15 PolarHBondContact O-N 3.34Å; L12-L15 PolarHBondContact O-N 3.32Å; L15-R17 VanDerWaalsContact C-N 3.34Å; L15-I18 PolarHBondContact O-N 3.44Å; L15-S19 PolarHBondContact O-N 2.95Å; L15-S19 PolarHBondContact O-OG 3.33Å
16C50.6Low49.5Very low88 Ų88113.9 Ų113.960%0.59561%0.614SS**Hα-helixtrans-68-30.5173-88.60000113.1L12 I18 S19L12-C16 WeakPolarHBondContact O-CB 3.33Å; L12-C16 PolarHBondContact O-N 3.4Å; C16-I18 VanDerWaalsContact C-N 3.34Å; C16-S19 PolarHBondContact O-N 2.86Å
17R46.2Very low50.5Low201 Ų201111.8 Ų111.876%0.75860%0.601SS**Hα-helixtrans-70.9-27.1175.4-78-86.7-175.7164.6-0.5113.1L13 L14 L15 S19L13-R17 WeakPolarHBondContact O-CG 3.34Å; L13-R17 PolarHBondContact O-N 3Å; L13-R17 VanDerWaalsContact O-N 3.14Å; L14-R17 PolarHBondContact O-N 3.06Å; L15-R17 VanDerWaalsContact C-N 3.34Å; R17-S19 VanDerWaalsContact C-N 3.32Å
18I50.6Low52.1Low134 Ų134110.5 Ų110.569%0.68759%0.587SS**Hα-helixtrans-83-14.9176.6-56.2161000111.2L14 L15 C16L14-I18 WeakPolarHBondContact O-CD1 3.33Å; L14-I18 WeakPolarHBondContact O-CG1 3.07Å; L14-I18 PolarHBondContact O-N 3.3Å; L15-I18 PolarHBondContact O-N 3.44Å; C16-I18 VanDerWaalsContact C-N 3.34Å
19S47Very low53.9Low88 Ų88110 Ų11062%0.61558%0.584SS**THydrogen-bonded Turntrans-93.713.2-179.4-53.30000113.9L15 C16 R17 C21L15-S19 PolarHBondContact O-N 2.95Å; L15-S19 PolarHBondContact O-OG 3.33Å; C16-S19 PolarHBondContact O-N 2.86Å; R17-S19 VanDerWaalsContact C-N 3.32Å; S19-C21 PolarHBondContact O-N 3.11Å
20L43.8Very low55.8Low132 Ų132106.4 Ų106.469%0.69157%0.567SS**  trans-72.364.7157.3-74.7158.7000108.3Q22L20-Q22 PolarHBondContact O-N 2.79Å
21C40.5Very low57.6Low112 Ų112107.3 Ų107.376%0.75757%0.566SS**  trans-56.898.5149.7-82.50000105S19 Y23S19-C21 PolarHBondContact O-N 3.11Å; C21-Y23 PolarHBondContact O-N 3.02Å
22Q36.5Very low59.2Low186 Ų186104.9 Ų104.987%0.86955%0.553SS**  trans-62.977.1159-69-177-34.500106.4L20 S24L20-Q22 PolarHBondContact O-N 2.79Å; Q22-S24 PolarHBondContact O-N 2.84Å
23Y39.9Very low60.8Low186 Ų186101.1 Ų101.173%0.72954%0.536SS*.  trans-75.258.4162.9-156-88.9000107.4C21 S25C21-Y23 PolarHBondContact O-N 3.02Å; Y23-S25 VanDerWaalsContact CE1-CB 3.48Å; Y23-S25 PolarHBondContact O-N 3.37Å
24S37.2Very low62.2Low90 Ų9095.7 Ų95.763%0.62951%0.509SS*.  trans-88.572159.8-158.60000105.5Q22 D26Q22-S24 PolarHBondContact O-N 2.84Å; S24-D26 PolarHBondContact O-N 3.02Å
25S44.3Very low63.5Low44 Ų4495.9 Ų95.931%0.30851%0.51SS..  trans-70.270.7171.1158.40000108.2Y23 Q27Y23-S25 VanDerWaalsContact CE1-CB 3.48Å; Y23-S25 PolarHBondContact O-N 3.37Å; S25-Q27 PolarHBondContact O-N 3.32Å; S25-Q27 WeakPolarHBondContact OG-CG 3.35Å; S25-Q27 PolarHBondContact OG-NE2 3.16Å; S25-Q27 PolarHBondContact OG-OE1 3.47Å
26D53.5Low64.4Low134 Ų13496 Ų9672%0.71752%0.515SS*.  trans-77.357.7160.1-69.3-29.4000108.2S24 C28S24-D26 PolarHBondContact O-N 3.02Å; D26-C28 PolarHBondContact O-N 3.1Å
27Q71Confident65Low73 Ų7395.6 Ų95.634%0.34150%0.504SS..THydrogen-bonded Turntrans-74.429.8-177.9-76175.15.500112.2S25 L49S25-Q27 PolarHBondContact O-N 3.32Å; S25-Q27 WeakPolarHBondContact OG-CG 3.35Å; S25-Q27 PolarHBondContact OG-NE2 3.16Å; S25-Q27 PolarHBondContact OG-OE1 3.47Å; Q27-L49 WeakPolarHBondContact O-CA 3.33Å; Q27-L49 WeakPolarHBondContact O-CD2 3.45Å
28C88.3Confident65.6Low44 Ų4493.3 Ų93.330%0.29750%0.502SS..THydrogen-bonded Turntrans-79.3-32.3173.4-58.20000110.8D26 C51 G54 Y147D26-C28 PolarHBondContact O-N 3.1Å; C28-C51 WeakPolarHBondContact CA-SG 3.16Å; C28-C51 HydrophobicContact CB-CB 3.53Å; C28-C51 WeakPolarHBondContact CB-SG 3.19Å; C28-C51 WeakPolarHBondContact SG-CB 3.31Å; C28-C51 CovalentContact SG-SG 2.03Å; C28-C51 PolarHBondContact SG-SG 3.14Å; C28-G54 WeakPolarHBondContact O-CA 3.43Å; C28-Y147 WeakPolarHBondContact O-CE1 3.47Å; C28-Y147 VanDerWaalsContact O-CZ 3.29Å; C28-Y147 PolarHBondContact O-OH 3.45Å
29S93Very high65.6Low59 Ų5990.6 Ų90.641%0.41351%0.507SS..SBendtrans-121.7146178.1-65.80000111.3S55S29-S55 CarbonylContact C-O 3.6Å; S29-S55 WeakPolarHBondContact CA-O 3.4Å; S29-S55 WeakPolarHBondContact CB-O 3.29Å; S29-S55 WeakPolarHBondContact CB-OG 3.36Å; S29-S55 PolarHBondContact OG-N 3.21Å; S29-S55 PolarHBondContact OG-OG 2.94Å
30W94Very high65.9Low40 Ų4095.2 Ų95.215%0.15252%0.519CS..EExtended strand (participates in β ladder)trans-122.8137.7174.3177.595.7000110.6E45 V47 L49 S55 L56 E57 W58 I65W30-E45 WeakPolarHBondContact CZ2-OE1 3.03Å; W30-V47 HydrophobicContact CB-CG1 3.74Å; W30-V47 HydrophobicContact CD2-CG1 4.13Å; W30-V47 HydrophobicContact CD2-CG2 3.98Å; W30-V47 HydrophobicContact CG-CG1 3.57Å; W30-V47 HydrophobicContact CG-CG2 4.2Å; W30-V47 HydrophobicContact CZ2-CG2 3.92Å; W30-L49 HydrophobicContact CB-CD2 4.01Å; W30-S55 PolarHBondContact N-O 2.94Å; W30-L56 HydrophobicContact CE3-CD1 4.19Å; W30-L56 HydrophobicContact CE3-CD2 4.37Å; W30-L56 HydrophobicContact CE3-CG 3.85Å; W30-L56 HydrophobicContact CZ3-CD2 4.33Å; W30-L56 HydrophobicContact CZ3-CG 4.28Å; W30-L56 CarbonylContact O-C 3.6Å; W30-L56 WeakPolarHBondContact O-CA 3.31Å; W30-E57 PolarHBondContact O-N 3.3Å; W30-W58 HydrophobicContact CH2-CB 4.32Å; W30-W58 AromaticContact CH2-CD1 3.6Å; W30-W58 AromaticContact CH2-CG 3.93Å; W30-W58 HydrophobicContact CH2-CG 3.93Å; W30-W58 HydrophobicContact CZ3-CB 3.79Å; W30-W58 AromaticContact CZ3-CD1 3.94Å; W30-W58 AromaticContact CZ3-CG 3.91Å; W30-W58 HydrophobicContact CZ3-CG 3.91Å; W30-I65 HydrophobicContact CH2-CD1 3.9Å; W30-I65 HydrophobicContact CZ3-CD1 3.91Å
31K93.8Very high66.6Low131 Ų13192.2 Ų92.257%0.5751%0.506SS*.EExtended strand (participates in β ladder)trans-131.5124172.7-177169-174.5141.70108.7E57K31-E57 VanDerWaalsContact CA-O 3.26Å; K31-E57 WeakPolarHBondContact CA-O 3.35Å; K31-E57 WeakPolarHBondContact CE-OE1 3.28Å; K31-E57 HydrophobicContact CG-CB 4.29Å; K31-E57 IonicContact NZ-OE1 3.74Å; K31-E57 PolarHBondContact NZ-OE1 2.99Å; K31-E57 IonicContact NZ-OE2 3.19Å; K31-E57 PolarHBondContact NZ-OE2 3.22Å
32G90.9Very high67.7Low17 Ų1798.7 Ų98.718%0.17552%0.515CS..EExtended strand (participates in β ladder)trans-144173.5-178.800000112.6E57 L59G32-E57 PolarHBondContact N-O 2.92Å; G32-L59 PolarHBondContact O-N 3.43Å
33S90.3Very high69.4Low26 Ų2695 Ų9518%0.18250%0.501CS..EExtended strand (participates in β ladder)trans-129.2133.6178.5-177.90000110.4L35 T36 L59S33-L35 PolarHBondContact O-N 2.8Å; S33-L35 PolarHBondContact OG-N 3.16Å; S33-T36 PolarHBondContact O-OG1 3.02Å; S33-L59 CarbonylContact C-O 3.52Å; S33-L59 VanDerWaalsContact CA-O 3.24Å; S33-L59 WeakPolarHBondContact CA-O 3.45Å
34G86.6Confident71.5Confident4 Ų488.9 Ų88.94%0.04148%0.482CS..THydrogen-bonded Turntrans-74.4-7172.500000113.6L59 Y60 T62G34-L59 PolarHBondContact N-O 2.94Å; G34-Y60 WeakPolarHBondContact CA-O 3.34Å; G34-Y60 PolarHBondContact N-O 3.13Å; G34-T62 WeakPolarHBondContact O-CB 3.06Å; G34-T62 PolarHBondContact O-OG1 2.87Å
35L82.6Confident74Confident114 Ų11487.2 Ų87.260%0.59747%0.465SS*.THydrogen-bonded Turntrans-85.6-12.7177.4-59.8179.2000113.8S33 H37 Y60S33-L35 PolarHBondContact O-N 2.8Å; S33-L35 PolarHBondContact OG-N 3.16Å; L35-H37 VanDerWaalsContact C-N 3.34Å; L35-Y60 HydrophobicContact CD1-CD1 4.21Å; L35-Y60 HydrophobicContact CD1-CD2 3.72Å; L35-Y60 HydrophobicContact CD1-CE2 4.29Å; L35-Y60 HydrophobicContact CD1-CG 3.69Å; L35-Y60 HydrophobicContact CG-CD2 4.27Å; L35-Y60 HydrophobicContact CG-CG 4Å
36T72.8Confident76.2Confident113 Ų11389.1 Ų89.169%0.69347%0.469SS*.SBendtrans-87.4-5.7-177.750.30000113.3S33S33-T36 PolarHBondContact O-OG1 3.02Å
37H61.5Low78Confident80 Ų8083 Ų8337%0.3744%0.436SS..SBendtrans-84.8131.7176.7-82.9-91.3000110.9L35 G39 E45L35-H37 VanDerWaalsContact C-N 3.34Å; H37-G39 PolarHBondContact O-N 2.74Å; H37-G39 VanDerWaalsContact O-N 3.13Å; H37-E45 IonicContact CD2-OE2 2.78Å; H37-E45 IonicContact CE1-OE2 2.84Å; H37-E45 IonicContact NE2-OE2 3.83Å; H37-E45 PolarHBondContact NE2-OE2 3.32Å
38E58.5Low79Confident153 Ų15385 Ų8572%0.71544%0.441SS*.  trans-65.5111.4170.9-69-178.3171.600108.3H40 T41E38-H40 PolarHBondContact O-N 3.31Å; E38-T41 PolarHBondContact O-N 3.14Å
39G52.4Low79.2Confident77 Ų7783 Ų8379%0.79443%0.428SS*.THydrogen-bonded Turntrans-61.99-171.800000116.8H37H37-G39 PolarHBondContact O-N 2.74Å; H37-G39 VanDerWaalsContact O-N 3.13Å
40H52.8Low79.1Confident185 Ų18586.8 Ų86.886%0.85643%0.433SS*.THydrogen-bonded Turntrans-97.7-15.2178.5-60-46000113.7E38E38-H40 PolarHBondContact O-N 3.31Å
41T57.3Low78.9Confident69 Ų6986.2 Ų86.242%0.42344%0.435SS..  trans-102.2122.3172.165.50000108.6E38 D43E38-T41 PolarHBondContact O-N 3.14Å; T41-D43 VanDerWaalsContact CB-OD2 3.32Å; T41-D43 WeakPolarHBondContact CB-OD2 3.35Å; T41-D43 PolarHBondContact O-N 2.02Å; T41-D43 PolarHBondContact OG1-OD2 3.42Å
42R64Low78.6Confident248 Ų24883.5 Ų83.594%0.93643%0.433SS*.  trans-75.141.3170.9-67.2180176.5173.7-1.7110.1
43D71.9Confident78.7Confident109 Ų10986.2 Ų86.258%0.58344%0.44SS*.  trans-82.6133.5-172.9-72.1-10.9000109.4T41T41-D43 VanDerWaalsContact CB-OD2 3.32Å; T41-D43 WeakPolarHBondContact CB-OD2 3.35Å; T41-D43 PolarHBondContact O-N 2.02Å; T41-D43 PolarHBondContact OG1-OD2 3.42Å
44V85.2Confident78.8Confident56 Ų5685.7 Ų85.734%0.33944%0.44SS..  trans-96.3113.8176.3178.30000107.5Q46 A64 I66 F129V44-Q46 PolarHBondContact O-N 3.27Å; V44-A64 HydrophobicContact CG1-CB 4.3Å; V44-A64 WeakPolarHBondContact CG1-O 2.99Å; V44-A64 HydrophobicContact CG2-CB 4.43Å; V44-I66 HydrophobicContact CG1-CB 4.41Å; V44-I66 HydrophobicContact CG1-CD1 3.75Å; V44-I66 HydrophobicContact CG1-CG1 3.7Å; V44-F129 HydrophobicContact CG1-CE2 4.14Å
45E88.6Confident79.2Confident55 Ų5587.8 Ų87.826%0.25745%0.454SS..EExtended strand (participates in β ladder)trans-65.1133.6-178.2-169.6-179.4158.100110.8W30 H37 A64 I65 I66W30-E45 WeakPolarHBondContact CZ2-OE1 3.03Å; H37-E45 IonicContact CD2-OE2 2.78Å; H37-E45 IonicContact CE1-OE2 2.84Å; H37-E45 IonicContact NE2-OE2 3.83Å; H37-E45 PolarHBondContact NE2-OE2 3.32Å; E45-A64 PolarHBondContact N-O 3.22Å; E45-I65 HydrophobicContact CB-CB 4.48Å; E45-I65 HydrophobicContact CB-CG2 3.86Å; E45-I65 CarbonylContact O-C 3.53Å; E45-I65 WeakPolarHBondContact O-CA 3.24Å; E45-I66 PolarHBondContact O-N 3.22Å
46Q90.9Very high79.9Confident85 Ų8582.5 Ų82.540%0.39743%0.426SS..EExtended strand (participates in β ladder)trans-100.2112.3178.4-64.4-72.3-35.600110.2V44 Y48 N68V44-Q46 PolarHBondContact O-N 3.27Å; Q46-Y48 HydrophobicContact CB-CD2 4.43Å; Q46-Y48 HydrophobicContact CB-CE2 3.62Å; Q46-N68 PolarHBondContact OE1-ND2 3.42Å
47V92.3Very high81Confident4 Ų479.8 Ų79.82%0.02441%0.405CS..EExtended strand (participates in β ladder)trans-101.2130.5176.4-177.80000109.1W30 L49 I66 V67 N68W30-V47 HydrophobicContact CB-CG1 3.74Å; W30-V47 HydrophobicContact CD2-CG1 4.13Å; W30-V47 HydrophobicContact CD2-CG2 3.98Å; W30-V47 HydrophobicContact CG-CG1 3.57Å; W30-V47 HydrophobicContact CG-CG2 4.2Å; W30-V47 HydrophobicContact CZ2-CG2 3.92Å; V47-L49 HydrophobicContact CG1-CD1 4.46Å; V47-L49 HydrophobicContact CG1-CD2 4.16Å; V47-L49 HydrophobicContact CG1-CG 4.1Å; V47-I66 PolarHBondContact N-O 3.14Å; V47-V67 HydrophobicContact CB-CG1 4.38Å; V47-V67 HydrophobicContact CB-CG2 4.26Å; V47-V67 HydrophobicContact CG1-CG1 4.29Å; V47-V67 WeakPolarHBondContact O-CA 3.49Å; V47-N68 PolarHBondContact O-N 3.43Å
48Y92.1Very high82.6Confident115 Ų11576.1 Ų76.145%0.45139%0.388SS..EExtended strand (participates in β ladder)trans-120.7117.7179.2-66.1-89.9000110.2Q46 N68Q46-Y48 HydrophobicContact CB-CD2 4.43Å; Q46-Y48 HydrophobicContact CB-CE2 3.62Å; Y48-N68 HydrophobicContact CD1-CB 3.49Å; Y48-N68 VanDerWaalsContact CD1-CB 3.49Å; Y48-N68 HydrophobicContact CE1-CB 3.8Å; Y48-N68 WeakPolarHBondContact CE1-ND2 3.46Å; Y48-N68 HydrophobicContact CG-CB 4.25Å
49L92.6Very high84.3Confident4 Ų470.4 Ų70.42%0.02136%0.362CS..EExtended strand (participates in β ladder)trans-120.9124.5178.3-52173.6000109.2Q27 W30 V47 V67 N68 L69 R70 Y147Q27-L49 WeakPolarHBondContact O-CA 3.33Å; Q27-L49 WeakPolarHBondContact O-CD2 3.45Å; W30-L49 HydrophobicContact CB-CD2 4.01Å; V47-L49 HydrophobicContact CG1-CD1 4.46Å; V47-L49 HydrophobicContact CG1-CD2 4.16Å; V47-L49 HydrophobicContact CG1-CG 4.1Å; L49-V67 HydrophobicContact CD1-CG1 4.02Å; L49-V67 HydrophobicContact CG-CG1 4.49Å; L49-N68 PolarHBondContact N-O 3.21Å; L49-L69 HydrophobicContact CB-CD2 3.84Å; L49-L69 HydrophobicContact CD1-CD2 3.78Å; L49-L69 HydrophobicContact CG-CD2 4.24Å; L49-R70 PolarHBondContact O-N 3.34Å; L49-Y147 HydrophobicContact CB-CE1 4.37Å; L49-Y147 HydrophobicContact CD1-CD1 4.3Å; L49-Y147 HydrophobicContact CD1-CE1 3.59Å
50R89.9Confident86.2Confident138 Ų13870.7 Ų70.752%0.52134%0.34SS..  trans-110.916.3-170.3-66.2-170.3-179.2-178.83.2114.5R70 N72R50-R70 CarbonylContact C-O 3.56Å; R50-R70 WeakPolarHBondContact CA-O 3.37Å; R50-N72 WeakPolarHBondContact O-CA 3.46Å; R50-N72 VanDerWaalsContact O-CB 3.3Å; R50-N72 WeakPolarHBondContact O-CB 3.35Å; R50-N72 PolarHBondContact O-N 3.1Å
51C89.6Confident88.1Confident27 Ų2761.9 Ų61.918%0.18230%0.3CS..SBendtrans-101.2162.5-175.1-58.60000112.4C28 Q53 L149C28-C51 WeakPolarHBondContact CA-SG 3.16Å; C28-C51 HydrophobicContact CB-CB 3.53Å; C28-C51 WeakPolarHBondContact CB-SG 3.19Å; C28-C51 WeakPolarHBondContact SG-CB 3.31Å; C28-C51 CovalentContact SG-SG 2.03Å; C28-C51 PolarHBondContact SG-SG 3.14Å; C51-Q53 WeakPolarHBondContact CB-O 3.06Å; C51-Q53 PolarHBondContact O-N 3.5Å; C51-L149 WeakPolarHBondContact O-CD1 3.4Å
52S88.9Confident89.7Confident75 Ų7562.4 Ų62.452%0.52430%0.302SS..SBendtrans-73.3-18.1172.960.70000112.9E148 L149S52-E148 CarbonylContact O-C 3.59Å; S52-E148 WeakPolarHBondContact O-CA 3.4Å; S52-L149 PolarHBondContact O-N 3.31Å
53Q92Very high91Very high73 Ų7353 Ų5334%0.34128%0.282SS..EExtended strand (participates in β ladder)trans-156.5157.1175.966.5-175.441.700110.4C51 Y147 E148C51-Q53 WeakPolarHBondContact CB-O 3.06Å; C51-Q53 PolarHBondContact O-N 3.5Å; Q53-Y147 CarbonylContact C-O 3.53Å; Q53-Y147 WeakPolarHBondContact CA-O 3.33Å; Q53-E148 HydrophobicContact CB-CG 3.87Å
54G93.1Very high92Very high16 Ų1648.3 Ų48.317%0.16526%0.259CS..EExtended strand (participates in β ladder)trans172.4-159.3175.300000112.6C28 Q146 Y147C28-G54 WeakPolarHBondContact O-CA 3.43Å; G54-Q146 WeakPolarHBondContact O-CA 3.38Å; G54-Y147 VanDerWaalsContact C-CD1 3.46Å; G54-Y147 PolarHBondContact N-O 3.32Å; G54-Y147 WeakPolarHBondContact O-CD1 3.24Å; G54-Y147 PolarHBondContact O-N 2.85Å
55S95Very high92.4Very high48 Ų4845.7 Ų45.734%0.33624%0.243SC..EExtended strand (participates in β ladder)trans-142156-177.158.50000113.3S29 W30 F145S29-S55 CarbonylContact C-O 3.6Å; S29-S55 WeakPolarHBondContact CA-O 3.4Å; S29-S55 WeakPolarHBondContact CB-O 3.29Å; S29-S55 WeakPolarHBondContact CB-OG 3.36Å; S29-S55 PolarHBondContact OG-N 3.21Å; S29-S55 PolarHBondContact OG-OG 2.94Å; W30-S55 PolarHBondContact N-O 2.94Å; S55-F145 CarbonylContact C-O 3.49Å; S55-F145 WeakPolarHBondContact CA-O 3.31Å
56L96.3Very high92.8Very high3 Ų344 Ų442%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-123.7133.5171.5-174.8144.8000108.8W30 W58 I65 V67 I130 A144 F145W30-L56 HydrophobicContact CE3-CD1 4.19Å; W30-L56 HydrophobicContact CE3-CD2 4.37Å; W30-L56 HydrophobicContact CE3-CG 3.85Å; W30-L56 HydrophobicContact CZ3-CD2 4.33Å; W30-L56 HydrophobicContact CZ3-CG 4.28Å; W30-L56 CarbonylContact O-C 3.6Å; W30-L56 WeakPolarHBondContact O-CA 3.31Å; L56-W58 HydrophobicContact CD2-CB 4.21Å; L56-I65 HydrophobicContact CD1-CD1 4.22Å; L56-V67 HydrophobicContact CD1-CB 4.32Å; L56-V67 HydrophobicContact CD1-CG1 3.99Å; L56-V67 HydrophobicContact CD1-CG2 3.41Å; L56-V67 VanDerWaalsContact CD1-CG2 3.41Å; L56-I130 HydrophobicContact CD1-CD1 4.17Å; L56-I130 HydrophobicContact CD2-CD1 4.4Å; L56-A144 WeakPolarHBondContact O-CA 3.44Å; L56-F145 HydrophobicContact CB-CD1 4.26Å; L56-F145 HydrophobicContact CB-CD2 4.43Å; L56-F145 HydrophobicContact CB-CE1 3.87Å; L56-F145 HydrophobicContact CB-CE2 4.05Å; L56-F145 HydrophobicContact CB-CZ 3.75Å; L56-F145 HydrophobicContact CD1-CE1 4.05Å; L56-F145 HydrophobicContact CD1-CZ 3.84Å; L56-F145 HydrophobicContact CD2-CD1 4.25Å; L56-F145 HydrophobicContact CD2-CE1 3.75Å; L56-F145 HydrophobicContact CD2-CZ 4.35Å; L56-F145 HydrophobicContact CG-CE1 4.09Å; L56-F145 HydrophobicContact CG-CZ 4.18Å; L56-F145 PolarHBondContact N-O 2.96Å; L56-F145 PolarHBondContact O-N 2.82Å
57E96.4Very high93Very high55 Ų5540 Ų4026%0.25722%0.217SC..EExtended strand (participates in β ladder)trans-133.9110.8172.3-169.5-171.2152.500109.6W30 K31 G32 I142 A144W30-E57 PolarHBondContact O-N 3.3Å; K31-E57 VanDerWaalsContact CA-O 3.26Å; K31-E57 WeakPolarHBondContact CA-O 3.35Å; K31-E57 WeakPolarHBondContact CE-OE1 3.28Å; K31-E57 HydrophobicContact CG-CB 4.29Å; K31-E57 IonicContact NZ-OE1 3.74Å; K31-E57 PolarHBondContact NZ-OE1 2.99Å; K31-E57 IonicContact NZ-OE2 3.19Å; K31-E57 PolarHBondContact NZ-OE2 3.22Å; G32-E57 PolarHBondContact N-O 2.92Å; E57-I142 HydrophobicContact CG-CG2 3.76Å; E57-A144 HydrophobicContact CG-CB 4.5Å
58W95.3Very high93Very high3 Ų340.8 Ų40.81%0.01122%0.221CC..EExtended strand (participates in β ladder)trans-109.8108.7177-163.715.2000110.3W30 L56 P61 T62 I65 T94 I130 A132 I142 T143W30-W58 HydrophobicContact CH2-CB 4.32Å; W30-W58 AromaticContact CH2-CD1 3.6Å; W30-W58 AromaticContact CH2-CG 3.93Å; W30-W58 HydrophobicContact CH2-CG 3.93Å; W30-W58 HydrophobicContact CZ3-CB 3.79Å; W30-W58 AromaticContact CZ3-CD1 3.94Å; W30-W58 AromaticContact CZ3-CG 3.91Å; W30-W58 HydrophobicContact CZ3-CG 3.91Å; L56-W58 HydrophobicContact CD2-CB 4.21Å; W58-P61 HydrophobicContact CD2-CB 3.69Å; W58-P61 HydrophobicContact CE3-CB 3.5Å; W58-P61 VanDerWaalsContact CE3-CB 3.5Å; W58-P61 HydrophobicContact CG-CB 4.37Å; W58-P61 HydrophobicContact CH2-CB 3.94Å; W58-P61 HydrophobicContact CZ2-CB 4.15Å; W58-P61 HydrophobicContact CZ3-CB 3.62Å; W58-T62 WeakPolarHBondContact CH2-O 3.49Å; W58-T62 WeakPolarHBondContact CZ2-O 3.35Å; W58-I65 HydrophobicContact CD2-CD1 4Å; W58-I65 HydrophobicContact CD2-CG1 4.5Å; W58-I65 HydrophobicContact CD2-CG2 4.38Å; W58-I65 HydrophobicContact CE3-CD1 3.89Å; W58-I65 HydrophobicContact CE3-CG1 4.05Å; W58-I65 HydrophobicContact CE3-CG2 4.5Å; W58-I65 HydrophobicContact CG-CD1 4.38Å; W58-I65 HydrophobicContact CH2-CG1 4.49Å; W58-I65 HydrophobicContact CH2-CG2 3.89Å; W58-I65 HydrophobicContact CZ2-CG2 3.69Å; W58-I65 HydrophobicContact CZ3-CD1 4.4Å; W58-I65 HydrophobicContact CZ3-CG1 4.06Å; W58-I65 HydrophobicContact CZ3-CG2 4.28Å; W58-T94 HydrophobicContact CE3-CG2 3.87Å; W58-T94 HydrophobicContact CZ3-CG2 3.79Å; W58-I130 HydrophobicContact CE3-CG2 4.1Å; W58-I130 HydrophobicContact CZ3-CG2 4.06Å; W58-A132 HydrophobicContact CH2-CB 4.48Å; W58-I142 WeakPolarHBondContact O-CA 3.12Å; W58-T143 PolarHBondContact N-O 3.16Å; W58-T143 PolarHBondContact O-N 2.82Å
59L94.5Very high93Very high33 Ų3335.9 Ų35.917%0.17320%0.203CC..EExtended strand (participates in β ladder)trans-82.5136.2177.6-61.5171.9000109.7G32 S33 G34 I142G32-L59 PolarHBondContact O-N 3.43Å; S33-L59 CarbonylContact C-O 3.52Å; S33-L59 VanDerWaalsContact CA-O 3.24Å; S33-L59 WeakPolarHBondContact CA-O 3.45Å; G34-L59 PolarHBondContact N-O 2.94Å; L59-I142 HydrophobicContact CD2-CB 4.46Å; L59-I142 HydrophobicContact CD2-CD1 3.81Å; L59-I142 HydrophobicContact CD2-CG1 3.77Å; L59-I142 HydrophobicContact CD2-CG2 4.03Å
60Y92.4Very high92.7Very high83 Ų8342.7 Ų42.733%0.32523%0.228SC..SBendtrans49.560.7176.1-55.5-78.7000112.1G34 L35 T62 R140 R141G34-Y60 WeakPolarHBondContact CA-O 3.34Å; G34-Y60 PolarHBondContact N-O 3.13Å; L35-Y60 HydrophobicContact CD1-CD1 4.21Å; L35-Y60 HydrophobicContact CD1-CD2 3.72Å; L35-Y60 HydrophobicContact CD1-CE2 4.29Å; L35-Y60 HydrophobicContact CD1-CG 3.69Å; L35-Y60 HydrophobicContact CG-CD2 4.27Å; L35-Y60 HydrophobicContact CG-CG 4Å; Y60-T62 PolarHBondContact O-N 3.3Å; Y60-T62 PolarHBondContact O-OG1 3.1Å; Y60-R140 HydrophobicContact CE1-CB 4.16Å; Y60-R140 HydrophobicContact CE1-CG 4.19Å; Y60-R141 PolarHBondContact N-O 3.33Å
61P92.9Very high92.4Very high1 Ų137.4 Ų37.41%0.00621%0.212CC..  trans-58.6130.2-174.325.7-35000111.2W58 T94 A132 R141W58-P61 HydrophobicContact CD2-CB 3.69Å; W58-P61 HydrophobicContact CE3-CB 3.5Å; W58-P61 VanDerWaalsContact CE3-CB 3.5Å; W58-P61 HydrophobicContact CG-CB 4.37Å; W58-P61 HydrophobicContact CH2-CB 3.94Å; W58-P61 HydrophobicContact CZ2-CB 4.15Å; W58-P61 HydrophobicContact CZ3-CB 3.62Å; P61-T94 HydrophobicContact CB-CG2 3.54Å; P61-T94 HydrophobicContact CG-CG2 3.9Å; P61-A132 HydrophobicContact CB-CB 4.03Å; P61-A132 WeakPolarHBondContact O-CB 3.44Å; P61-R141 HydrophobicContact CG-CB 4.45Å
62T90.3Very high92Very high79 Ų7942.2 Ų42.249%0.48524%0.236SC..  trans-138.8134.5179.1-54.80000109G34 W58 Y60 A64G34-T62 WeakPolarHBondContact O-CB 3.06Å; G34-T62 PolarHBondContact O-OG1 2.87Å; W58-T62 WeakPolarHBondContact CH2-O 3.49Å; W58-T62 WeakPolarHBondContact CZ2-O 3.35Å; Y60-T62 PolarHBondContact O-N 3.3Å; Y60-T62 PolarHBondContact O-OG1 3.1Å; T62-A64 PolarHBondContact O-N 2.04Å
63G90.9Very high91.4Very high50 Ų5043.2 Ų43.252%0.51524%0.239SC..SBendtrans69.3-127-177.500000111.6A132G63-A132 WeakPolarHBondContact O-CB 3.19Å; G63-A132 PolarHBondContact O-N 3.19Å
64A93.2Very high90.4Very high12 Ų1248.6 Ų48.610%0.09927%0.269CS..EExtended strand (participates in β ladder)trans-149.9157.9177.600000112.3V44 E45 T62 F129 I130V44-A64 HydrophobicContact CG1-CB 4.3Å; V44-A64 WeakPolarHBondContact CG1-O 2.99Å; V44-A64 HydrophobicContact CG2-CB 4.43Å; E45-A64 PolarHBondContact N-O 3.22Å; T62-A64 PolarHBondContact O-N 2.04Å; A64-F129 HydrophobicContact CB-CE1 4.02Å; A64-F129 HydrophobicContact CB-CE2 3.67Å; A64-F129 HydrophobicContact CB-CZ 3.37Å; A64-I130 CarbonylContact C-O 3.53Å; A64-I130 WeakPolarHBondContact CA-O 3.38Å; A64-I130 WeakPolarHBondContact CB-O 3.09Å
65I94.4Very high89.7Confident1 Ų150.2 Ų50.21%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-127.9149.6170.565.8175.1000110.6W30 E45 L56 W58 V67 I130W30-I65 HydrophobicContact CH2-CD1 3.9Å; W30-I65 HydrophobicContact CZ3-CD1 3.91Å; E45-I65 HydrophobicContact CB-CB 4.48Å; E45-I65 HydrophobicContact CB-CG2 3.86Å; E45-I65 CarbonylContact O-C 3.53Å; E45-I65 WeakPolarHBondContact O-CA 3.24Å; L56-I65 HydrophobicContact CD1-CD1 4.22Å; W58-I65 HydrophobicContact CD2-CD1 4Å; W58-I65 HydrophobicContact CD2-CG1 4.5Å; W58-I65 HydrophobicContact CD2-CG2 4.38Å; W58-I65 HydrophobicContact CE3-CD1 3.89Å; W58-I65 HydrophobicContact CE3-CG1 4.05Å; W58-I65 HydrophobicContact CE3-CG2 4.5Å; W58-I65 HydrophobicContact CG-CD1 4.38Å; W58-I65 HydrophobicContact CH2-CG1 4.49Å; W58-I65 HydrophobicContact CH2-CG2 3.89Å; W58-I65 HydrophobicContact CZ2-CG2 3.69Å; W58-I65 HydrophobicContact CZ3-CD1 4.4Å; W58-I65 HydrophobicContact CZ3-CG1 4.06Å; W58-I65 HydrophobicContact CZ3-CG2 4.28Å; I65-V67 HydrophobicContact CD1-CG2 4.02Å; I65-V67 HydrophobicContact CG1-CG2 4.18Å; I65-I130 HydrophobicContact CD1-CD1 4.18Å; I65-I130 HydrophobicContact CG1-CB 3.87Å; I65-I130 HydrophobicContact CG1-CD1 4.21Å; I65-I130 HydrophobicContact CG1-CG1 4.44Å; I65-I130 PolarHBondContact N-O 2.85Å; I65-I130 PolarHBondContact O-N 3.09Å
66I95.1Very high88.9Confident20 Ų2053.8 Ų53.810%0.10330%0.3CS..EExtended strand (participates in β ladder)trans-110.8120.1172-70.2165.2000109V44 E45 V47 A127 L128 F129V44-I66 HydrophobicContact CG1-CB 4.41Å; V44-I66 HydrophobicContact CG1-CD1 3.75Å; V44-I66 HydrophobicContact CG1-CG1 3.7Å; E45-I66 PolarHBondContact O-N 3.22Å; V47-I66 PolarHBondContact N-O 3.14Å; I66-A127 HydrophobicContact CG2-CB 3.81Å; I66-L128 CarbonylContact C-O 3.54Å; I66-L128 WeakPolarHBondContact CA-O 3.43Å; I66-F129 HydrophobicContact CD1-CD2 4.01Å; I66-F129 HydrophobicContact CG1-CB 4.49Å; I66-F129 HydrophobicContact CG1-CD2 3.59Å; I66-F129 HydrophobicContact CG1-CE2 4.34Å
67V95.7Very high88.1Confident0 Ų056.5 Ų56.50%032%0.323CS..EExtended strand (participates in β ladder)trans-107.5112.9-178.1-1700000109.7V47 L49 L56 I65 L69 A127 L128 I130V47-V67 HydrophobicContact CB-CG1 4.38Å; V47-V67 HydrophobicContact CB-CG2 4.26Å; V47-V67 HydrophobicContact CG1-CG1 4.29Å; V47-V67 WeakPolarHBondContact O-CA 3.49Å; L49-V67 HydrophobicContact CD1-CG1 4.02Å; L49-V67 HydrophobicContact CG-CG1 4.49Å; L56-V67 HydrophobicContact CD1-CB 4.32Å; L56-V67 HydrophobicContact CD1-CG1 3.99Å; L56-V67 HydrophobicContact CD1-CG2 3.41Å; L56-V67 VanDerWaalsContact CD1-CG2 3.41Å; I65-V67 HydrophobicContact CD1-CG2 4.02Å; I65-V67 HydrophobicContact CG1-CG2 4.18Å; V67-L69 HydrophobicContact CG1-CD2 3.91Å; V67-L69 HydrophobicContact CG1-CG 4.23Å; V67-A127 WeakPolarHBondContact O-CB 3.46Å; V67-L128 HydrophobicContact CB-CB 4.21Å; V67-L128 PolarHBondContact N-O 3.24Å; V67-L128 PolarHBondContact O-N 3.01Å; V67-I130 HydrophobicContact CG2-CD1 3.71Å
68N93.6Very high87.3Confident20 Ų2054.7 Ų54.711%0.10732%0.317CS..EExtended strand (participates in β ladder)trans-95102.2179.5-70-87.8000109.7Q46 V47 Y48 L49Q46-N68 PolarHBondContact OE1-ND2 3.42Å; V47-N68 PolarHBondContact O-N 3.43Å; Y48-N68 HydrophobicContact CD1-CB 3.49Å; Y48-N68 VanDerWaalsContact CD1-CB 3.49Å; Y48-N68 HydrophobicContact CE1-CB 3.8Å; Y48-N68 WeakPolarHBondContact CE1-ND2 3.46Å; Y48-N68 HydrophobicContact CG-CB 4.25Å; L49-N68 PolarHBondContact N-O 3.21Å
69L92Very high86.7Confident13 Ų1356.3 Ų56.37%0.06833%0.331CS..EExtended strand (participates in β ladder)trans-94116.8177-59.4176.5000109.8L49 V67 V83 L128 Y147L49-L69 HydrophobicContact CB-CD2 3.84Å; L49-L69 HydrophobicContact CD1-CD2 3.78Å; L49-L69 HydrophobicContact CG-CD2 4.24Å; V67-L69 HydrophobicContact CG1-CD2 3.91Å; V67-L69 HydrophobicContact CG1-CG 4.23Å; L69-V83 HydrophobicContact CB-CG1 4.43Å; L69-V83 HydrophobicContact CB-CG2 4.44Å; L69-V83 HydrophobicContact CD1-CG1 3.44Å; L69-V83 VanDerWaalsContact CD1-CG1 3.44Å; L69-L128 HydrophobicContact CD1-CD1 3.76Å; L69-Y147 HydrophobicContact CD1-CD2 4.22Å; L69-Y147 HydrophobicContact CD1-CG 4.12Å; L69-Y147 HydrophobicContact CD2-CD1 4.04Å; L69-Y147 HydrophobicContact CD2-CD2 3.84Å; L69-Y147 HydrophobicContact CD2-CE1 4.09Å; L69-Y147 HydrophobicContact CD2-CE2 3.89Å; L69-Y147 HydrophobicContact CD2-CG 3.92Å
70R85.1Confident86.3Confident146 Ų14661.1 Ų61.155%0.55135%0.347SS*.  trans-139.1151.3-179.8-63.5-171.3-175.3-174.83.8111.4L49 R50L49-R70 PolarHBondContact O-N 3.34Å; R50-R70 CarbonylContact C-O 3.56Å; R50-R70 WeakPolarHBondContact CA-O 3.37Å
71P84.8Confident86.2Confident28 Ų2858.7 Ų58.718%0.18234%0.34CS..  trans-70152.5168.929.6-33.7000110.6T73 A78 L81 L149P71-T73 PolarHBondContact O-N 2.89Å; P71-A78 HydrophobicContact CG-CB 3.65Å; P71-L81 HydrophobicContact CB-CD1 4.03Å; P71-L81 HydrophobicContact CG-CD1 3.9Å; P71-L149 HydrophobicContact CB-CD1 3.97Å
72N79.6Confident86.2Confident127 Ų12758.6 Ų58.668%0.67934%0.339SS*.SBendtrans-69.4-20.9176.8-158.718.6000112.8R50R50-N72 WeakPolarHBondContact O-CA 3.46Å; R50-N72 VanDerWaalsContact O-CB 3.3Å; R50-N72 WeakPolarHBondContact O-CB 3.35Å; R50-N72 PolarHBondContact O-N 3.1Å
73T75.8Confident86.3Confident96 Ų9654.9 Ų54.959%0.58932%0.316SS*.SBendtrans-107.5128.8-176.657.40000111.4P71 S75P71-T73 PolarHBondContact O-N 2.89Å; T73-S75 PolarHBondContact O-N 2.89Å
74L71.1Confident86.5Confident186 Ų18652.6 Ų52.697%0.97429%0.293SS*.  trans-83.692.4173.4-65172.1000108.7
75S79.3Confident86.7Confident51 Ų5152.1 Ų52.136%0.35729%0.288SS..  trans-125.6153.5173.771.90000110.9T73 A77 A78T73-S75 PolarHBondContact O-N 2.89Å; S75-A77 PolarHBondContact O-N 3.21Å; S75-A77 VanDerWaalsContact O-N 3.12Å; S75-A77 PolarHBondContact OG-N 3.25Å; S75-A78 WeakPolarHBondContact O-CB 3.3Å; S75-A78 PolarHBondContact O-N 3.27Å; S75-A78 PolarHBondContact OG-N 3.47Å
76P77.8Confident86.8Confident122 Ų12253.7 Ų53.779%0.79230%0.295SS*.G310 helixtrans-57.3-26.3171.8-25.334.8000113.1A78 A79P76-A78 VanDerWaalsContact C-N 3.28Å; P76-A78 PolarHBondContact O-N 2.98Å; P76-A79 PolarHBondContact O-N 2.99Å
77A78.9Confident86.9Confident60 Ų6053 Ų5350%0.49629%0.292SS..G310 helixtrans-67.4-26.7174.400000112.7S75 A79 R80S75-A77 PolarHBondContact O-N 3.21Å; S75-A77 VanDerWaalsContact O-N 3.12Å; S75-A77 PolarHBondContact OG-N 3.25Å; A77-A79 PolarHBondContact O-N 3.4Å; A77-R80 PolarHBondContact O-N 2.8Å
78A79.9Confident86.8Confident18 Ų1855.3 Ų55.315%0.14931%0.308CS..G310 helixtrans-57.3-31.3174.900000112.3P71 S75 P76 R80 L81 I123P71-A78 HydrophobicContact CG-CB 3.65Å; S75-A78 WeakPolarHBondContact O-CB 3.3Å; S75-A78 PolarHBondContact O-N 3.27Å; S75-A78 PolarHBondContact OG-N 3.47Å; P76-A78 VanDerWaalsContact C-N 3.28Å; P76-A78 PolarHBondContact O-N 2.98Å; A78-R80 PolarHBondContact O-N 3.01Å; A78-L81 HydrophobicContact CB-CD1 4.38Å; A78-L81 WeakPolarHBondContact O-CB 3.44Å; A78-L81 WeakPolarHBondContact O-CG 3.48Å; A78-L81 PolarHBondContact O-N 3.44Å; A78-I123 WeakPolarHBondContact O-CG2 3.38Å
79A82.6Confident86.8Confident37 Ų3761.6 Ų61.631%0.30633%0.334SS..G310 helixtrans-75.6-2.3178.200000113.7P76 A77 R124P76-A79 PolarHBondContact O-N 2.99Å; A77-A79 PolarHBondContact O-N 3.4Å; A79-R124 PolarHBondContact O-NE 3.27Å; A79-R124 PolarHBondContact O-NH2 3.28Å
80R85.9Confident86.8Confident134 Ų13467.1 Ų67.151%0.50636%0.364SS..G310 helixtrans-11529.5174.5-59.6-178.1-179.1158.10.1110.9A77 A78 D152A77-R80 PolarHBondContact O-N 2.8Å; A78-R80 PolarHBondContact O-N 3.01Å; R80-D152 VanDerWaalsContact C-CG 3.46Å; R80-D152 WeakPolarHBondContact CA-OD2 3.46Å; R80-D152 VanDerWaalsContact O-CB 3.29Å; R80-D152 WeakPolarHBondContact O-CB 3.36Å; R80-D152 PolarHBondContact O-N 2.9Å
81L90.2Very high87.3Confident31 Ų3160.2 Ų60.216%0.16234%0.338CS..EExtended strand (participates in β ladder)trans-99.4143.4173.5-62.3176.8000109.9P71 A78 I123 L149 V150P71-L81 HydrophobicContact CB-CD1 4.03Å; P71-L81 HydrophobicContact CG-CD1 3.9Å; A78-L81 HydrophobicContact CB-CD1 4.38Å; A78-L81 WeakPolarHBondContact O-CB 3.44Å; A78-L81 WeakPolarHBondContact O-CG 3.48Å; A78-L81 PolarHBondContact O-N 3.44Å; L81-I123 HydrophobicContact CB-CG2 4.35Å; L81-I123 WeakPolarHBondContact O-CB 3.31Å; L81-I123 VanDerWaalsContact O-CG2 3.24Å; L81-I123 WeakPolarHBondContact O-CG2 3.31Å; L81-I123 PolarHBondContact O-N 2.91Å; L81-L149 HydrophobicContact CD1-CD1 4.48Å; L81-V150 CarbonylContact C-O 3.51Å; L81-V150 VanDerWaalsContact CA-O 3.29Å; L81-V150 WeakPolarHBondContact CA-O 3.37Å
82S92.9Very high87.8Confident0 Ų061.2 Ų61.20%034%0.344CS..EExtended strand (participates in β ladder)trans-99.1142.5162.2-750000109.3F121 L149 V150 D152 R155S82-F121 CarbonylContact C-O 3.53Å; S82-F121 WeakPolarHBondContact CA-O 3.34Å; S82-L149 WeakPolarHBondContact O-CA 3.19Å; S82-V150 PolarHBondContact N-O 3.08Å; S82-V150 PolarHBondContact O-N 3.26Å; S82-D152 WeakPolarHBondContact CB-OD1 3.33Å; S82-D152 PolarHBondContact N-OD1 3.32Å; S82-D152 PolarHBondContact OG-OD1 3.48Å; S82-R155 PolarHBondContact OG-NH1 3.47Å
83V93.9Very high88.5Confident1 Ų155.2 Ų55.21%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-94.1128.6165-1790000106.9L69 I85 C120 F121 I123 L149L69-V83 HydrophobicContact CB-CG1 4.43Å; L69-V83 HydrophobicContact CB-CG2 4.44Å; L69-V83 HydrophobicContact CD1-CG1 3.44Å; L69-V83 VanDerWaalsContact CD1-CG1 3.44Å; V83-I85 HydrophobicContact CG1-CG2 4.37Å; V83-C120 CarbonylContact O-C 3.57Å; V83-C120 VanDerWaalsContact O-CA 3.22Å; V83-C120 WeakPolarHBondContact O-CA 3.44Å; V83-F121 HydrophobicContact CB-CD1 4.44Å; V83-F121 HydrophobicContact CB-CD2 4.13Å; V83-F121 HydrophobicContact CB-CE1 3.96Å; V83-F121 HydrophobicContact CB-CE2 3.62Å; V83-F121 HydrophobicContact CB-CZ 3.53Å; V83-F121 HydrophobicContact CG1-CE1 3.85Å; V83-F121 HydrophobicContact CG1-CE2 4.06Å; V83-F121 HydrophobicContact CG1-CZ 3.46Å; V83-F121 VanDerWaalsContact CG1-CZ 3.46Å; V83-F121 HydrophobicContact CG2-CE2 3.91Å; V83-F121 HydrophobicContact CG2-CZ 4.19Å; V83-F121 PolarHBondContact N-O 2.98Å; V83-F121 PolarHBondContact O-N 2.85Å; V83-I123 HydrophobicContact CG2-CB 4.26Å; V83-I123 HydrophobicContact CG2-CG1 4.13Å; V83-L149 HydrophobicContact CB-CD2 4.32Å; V83-L149 HydrophobicContact CG1-CD2 4.46Å; V83-L149 HydrophobicContact CG2-CD2 3.68Å
84C95Very high89.5Confident2 Ų250.6 Ų50.61%0.01428%0.283CS..EExtended strand (participates in β ladder)trans-116.6132.5171.9-630000109.1V118 H119 C120 Y147 E148 V150 F252C84-V118 HydrophobicContact CB-CG1 3.93Å; C84-H119 CarbonylContact C-O 3.57Å; C84-H119 VanDerWaalsContact CA-O 3.31Å; C84-H119 WeakPolarHBondContact CA-O 3.48Å; C84-C120 HydrophobicContact CB-CB 4.13Å; C84-C120 WeakPolarHBondContact CB-SG 3.46Å; C84-C120 WeakPolarHBondContact SG-CB 3.43Å; C84-C120 CovalentContact SG-SG 2.04Å; C84-C120 PolarHBondContact SG-SG 2.8Å; C84-Y147 CarbonylContact O-C 3.56Å; C84-Y147 VanDerWaalsContact O-CA 3.26Å; C84-Y147 WeakPolarHBondContact O-CA 3.37Å; C84-E148 PolarHBondContact N-O 3.49Å; C84-E148 PolarHBondContact O-N 2.66Å; C84-V150 HydrophobicContact CB-CG2 4.36Å; C84-F252 HydrophobicContact CB-CE2 4.24Å; C84-F252 HydrophobicContact CB-CZ 3.69Å
85I96.5Very high90.8Very high1 Ų143.3 Ų43.31%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-116.9145.8173.663.6173.3000110.4V83 I96 L107 V118 H119 L128 F145 Q146V83-I85 HydrophobicContact CG1-CG2 4.37Å; I85-I96 HydrophobicContact CD1-CD1 4.22Å; I85-I96 HydrophobicContact CD1-CG2 4.32Å; I85-L107 HydrophobicContact CD1-CD2 3.77Å; I85-L107 HydrophobicContact CG1-CD2 4.47Å; I85-V118 WeakPolarHBondContact O-CA 3.44Å; I85-H119 HydrophobicContact CG1-CB 4.2Å; I85-H119 PolarHBondContact N-O 3.46Å; I85-H119 PolarHBondContact O-N 3.37Å; I85-L128 HydrophobicContact CD1-CD2 4.5Å; I85-L128 HydrophobicContact CG2-CD1 4.02Å; I85-F145 HydrophobicContact CB-CD2 3.97Å; I85-F145 HydrophobicContact CB-CE2 4.42Å; I85-F145 HydrophobicContact CG2-CD2 3.87Å; I85-F145 HydrophobicContact CG2-CE2 3.83Å; I85-Q146 CarbonylContact C-O 3.52Å; I85-Q146 VanDerWaalsContact CA-O 3.26Å; I85-Q146 WeakPolarHBondContact CA-O 3.24Å
86K96.3Very high91.6Very high35 Ų3540.9 Ų40.915%0.15223%0.228CC..EExtended strand (participates in β ladder)trans-127.4108.7172.4-169.1-177.7-179.6-1790108.9G116 V118 F145 Q146 F252 E254K86-G116 WeakPolarHBondContact CE-O 3.43Å; K86-G116 WeakPolarHBondContact CG-O 3.44Å; K86-V118 HydrophobicContact CB-CG2 4.15Å; K86-V118 HydrophobicContact CD-CG2 4.07Å; K86-V118 HydrophobicContact CG-CG2 4.05Å; K86-F145 CarbonylContact O-C 3.5Å; K86-F145 VanDerWaalsContact O-CA 3.27Å; K86-F145 WeakPolarHBondContact O-CA 3.33Å; K86-F145 VanDerWaalsContact O-CB 3.31Å; K86-F145 WeakPolarHBondContact O-CB 3.29Å; K86-Q146 PolarHBondContact N-O 2.96Å; K86-Q146 PolarHBondContact O-N 3.41Å; K86-F252 HydrophobicContact CB-CB 4.33Å; K86-F252 HydrophobicContact CB-CD1 3.51Å; K86-F252 HydrophobicContact CB-CD2 4.31Å; K86-F252 HydrophobicContact CB-CE1 3.78Å; K86-F252 HydrophobicContact CB-CG 3.79Å; K86-F252 HydrophobicContact CB-CZ 4.29Å; K86-F252 HydrophobicContact CD-CB 3.57Å; K86-F252 HydrophobicContact CD-CD1 4.35Å; K86-F252 HydrophobicContact CD-CD2 4.32Å; K86-F252 HydrophobicContact CD-CG 3.83Å; K86-F252 HydrophobicContact CG-CG 4.46Å; K86-E254 IonicContact NZ-OE1 2.82Å; K86-E254 PolarHBondContact NZ-OE1 2.83Å; K86-E254 IonicContact NZ-OE2 3.79Å; K86-E254 PolarHBondContact NZ-OE2 2.87Å
87P96.9Very high92.6Very high5 Ų537.2 Ų37.23%0.03220%0.199CC..EExtended strand (participates in β ladder)trans-64.3146.8175.830.2-34.3000110.6L108 Q113 K117P87-L108 HydrophobicContact CB-CD2 4.24Å; P87-L108 HydrophobicContact CG-CD2 3.87Å; P87-Q113 HydrophobicContact CB-CB 3.93Å; P87-Q113 HydrophobicContact CG-CB 4.35Å; P87-Q113 VanDerWaalsContact CG-O 3.26Å; P87-Q113 WeakPolarHBondContact CG-O 3.16Å; P87-K117 WeakPolarHBondContact CD-O 3.24Å
88S95.3Very high93.5Very high48 Ų4834.5 Ų34.534%0.33618%0.176SC..  trans-66.2146.2164.8-176.10000109.1D90 S91 A144S88-D90 PolarHBondContact O-N 3.5Å; S88-D90 VanDerWaalsContact O-N 3.14Å; S88-D90 PolarHBondContact OG-N 3.45Å; S88-S91 WeakPolarHBondContact O-CB 3.48Å; S88-S91 PolarHBondContact O-N 3.06Å; S88-A144 PolarHBondContact N-O 2.95Å
89K93Very high94.3Very high153 Ų15335 Ų3567%0.66518%0.176SC*.THydrogen-bonded Turntrans-59.7-25.1174.6-65.8-172.6175.9-174.40112.6S91K89-S91 VanDerWaalsContact C-N 3.34Å
90D92.9Very high94.8Very high128 Ų12840.3 Ų40.368%0.68419%0.188SC*.THydrogen-bonded Turntrans-94.24.5-179.9-49.7-21.2000112.1S88 T92S88-D90 PolarHBondContact O-N 3.5Å; S88-D90 VanDerWaalsContact O-N 3.14Å; S88-D90 PolarHBondContact OG-N 3.45Å; D90-T92 PolarHBondContact O-N 3.31Å
91S95.1Very high95Very high2 Ų241.6 Ų41.61%0.01421%0.205CC..  trans-70.4124-178.5-169.60000111S88 K89 Q113 I142 T143 A144S88-S91 WeakPolarHBondContact O-CB 3.48Å; S88-S91 PolarHBondContact O-N 3.06Å; K89-S91 VanDerWaalsContact C-N 3.34Å; S91-Q113 PolarHBondContact OG-OE1 2.78Å; S91-I142 CarbonylContact C-O 3.52Å; S91-I142 VanDerWaalsContact CA-O 3.28Å; S91-I142 WeakPolarHBondContact CA-O 3.04Å; S91-T143 WeakPolarHBondContact OG-CA 3.22Å; S91-A144 WeakPolarHBondContact CB-O 3.47Å; S91-A144 PolarHBondContact OG-N 3.25Å; S91-A144 PolarHBondContact OG-O 2.83Å
92T94.8Very high94.9Very high49 Ų4943 Ų4330%0.30123%0.227SC..  trans-148.3164.7-17553.70000111.8D90 I142 T143D90-T92 PolarHBondContact O-N 3.31Å; T92-I142 PolarHBondContact N-O 3.48Å; T92-I142 CarbonylContact O-C 3.59Å; T92-I142 VanDerWaalsContact O-C 3.31Å; T92-T143 PolarHBondContact O-N 2.72Å; T92-T143 PolarHBondContact O-OG1 3.1Å
93G94.1Very high95Very high0 Ų051.1 Ų51.10%026%0.262CS..SBendtrans87.94.9170.600000116E110 A132 V133G93-E110 WeakPolarHBondContact CA-OE1 3.49Å; G93-E110 PolarHBondContact N-OE1 3.46Å; G93-A132 CarbonylContact O-C 3.31Å; G93-A132 WeakPolarHBondContact O-CA 3.4Å; G93-V133 PolarHBondContact O-N 2.78Å
94T96.9Very high95.1Very high0 Ų055.1 Ų55.10%028%0.283CS..EExtended strand (participates in β ladder)trans-143.215617959.90000114.3W58 P61 E110 Q113 I130 E131 T143W58-T94 HydrophobicContact CE3-CG2 3.87Å; W58-T94 HydrophobicContact CZ3-CG2 3.79Å; P61-T94 HydrophobicContact CB-CG2 3.54Å; P61-T94 HydrophobicContact CG-CG2 3.9Å; T94-E110 WeakPolarHBondContact O-CA 3.48Å; T94-E110 WeakPolarHBondContact O-CB 3.38Å; T94-E110 PolarHBondContact O-N 3.08Å; T94-Q113 PolarHBondContact O-NE2 2.81Å; T94-I130 HydrophobicContact CG2-CG2 3.62Å; T94-E131 CarbonylContact C-O 3.56Å; T94-E131 WeakPolarHBondContact CA-O 3.01Å; T94-E131 VanDerWaalsContact CB-O 3.23Å; T94-E131 WeakPolarHBondContact CB-O 3.43Å; T94-T143 WeakPolarHBondContact CB-OG1 3.45Å; T94-T143 HydrophobicContact CG2-CG2 4.17Å; T94-T143 WeakPolarHBondContact CG2-OG1 3.14Å; T94-T143 WeakPolarHBondContact OG1-CB 3.48Å; T94-T143 WeakPolarHBondContact OG1-CG2 3.22Å; T94-T143 PolarHBondContact OG1-OG1 3.47Å
95N97.6Very high95.2Very high32 Ų3260.9 Ų60.917%0.17131%0.305CS..EExtended strand (participates in β ladder)trans-102.9143.8159.7-67.6-49.3000109.7Y97 L106 R109 E110 I130 E131N95-Y97 HydrophobicContact CB-CD2 4.34Å; N95-Y97 HydrophobicContact CB-CE2 3.51Å; N95-L106 HydrophobicContact CB-CD1 4.47Å; N95-R109 WeakPolarHBondContact OD1-CA 3.42Å; N95-E110 PolarHBondContact OD1-N 2.73Å; N95-I130 WeakPolarHBondContact O-CA 2.87Å; N95-E131 PolarHBondContact N-O 2.88Å; N95-E131 PolarHBondContact O-N 2.87Å
96I97.9Very high95.2Very high0 Ų064 Ų640%032%0.321CS..EExtended strand (participates in β ladder)trans-110.6125.3179-52.9180000108.9I85 L107 L108 L128 I130 F145I85-I96 HydrophobicContact CD1-CD1 4.22Å; I85-I96 HydrophobicContact CD1-CG2 4.32Å; I96-L107 HydrophobicContact CG2-CD2 4.26Å; I96-L107 WeakPolarHBondContact O-CA 3.33Å; I96-L107 WeakPolarHBondContact O-CB 3.1Å; I96-L107 PolarHBondContact O-N 3.48Å; I96-L108 HydrophobicContact CB-CB 4.21Å; I96-L108 HydrophobicContact CD1-CD2 4.34Å; I96-L108 PolarHBondContact N-O 3.12Å; I96-L108 PolarHBondContact O-N 2.84Å; I96-L128 HydrophobicContact CG2-CD2 3.81Å; I96-I130 HydrophobicContact CG1-CG1 4.41Å; I96-I130 HydrophobicContact CG1-CG2 4.5Å; I96-I130 HydrophobicContact CG2-CG1 4.35Å; I96-F145 HydrophobicContact CD1-CD1 4.28Å; I96-F145 HydrophobicContact CD1-CE1 4.45Å
97Y98Very high95.2Very high46 Ų4663.7 Ų63.718%0.1832%0.321CS..EExtended strand (participates in β ladder)trans-120.2156.1178.1-53.6-99.1000110.3N95 L104 R105 L106 L128 F129 E131N95-Y97 HydrophobicContact CB-CD2 4.34Å; N95-Y97 HydrophobicContact CB-CE2 3.51Å; Y97-L104 HydrophobicContact CD1-CB 4.39Å; Y97-R105 CarbonylContact C-O 3.47Å; Y97-R105 VanDerWaalsContact CA-O 3.32Å; Y97-R105 WeakPolarHBondContact CA-O 3.39Å; Y97-L106 HydrophobicContact CD1-CB 3.93Å; Y97-L106 HydrophobicContact CD1-CD1 4.03Å; Y97-L106 HydrophobicContact CE1-CB 4.03Å; Y97-L106 HydrophobicContact CE1-CD1 3.75Å; Y97-L106 HydrophobicContact CE1-CG 4.49Å; Y97-L128 CarbonylContact O-C 3.47Å; Y97-L128 WeakPolarHBondContact O-CA 3.17Å; Y97-F129 AromaticContact CD2-CD1 3.87Å; Y97-F129 HydrophobicContact CD2-CD1 3.87Å; Y97-F129 WeakPolarHBondContact CD2-O 3.31Å; Y97-F129 HydrophobicContact CG-CD1 4.43Å; Y97-F129 PolarHBondContact N-O 3.49Å; Y97-F129 PolarHBondContact O-N 3.15Å; Y97-E131 HydrophobicContact CD2-CB 4.45Å; Y97-E131 HydrophobicContact CE2-CB 3.88Å; Y97-E131 WeakPolarHBondContact CE2-OE2 3.07Å; Y97-E131 PolarHBondContact OH-OE2 2.87Å; Y97-E131 VanDerWaalsContact OH-OE2 3.09Å
98L97.5Very high95.2Very high3 Ų363.8 Ų63.82%0.01632%0.321CS..EExtended strand (participates in β ladder)trans-92122.9164-69.5165.5000108.6L104 R105 L107 F121 E125 A127 L128L98-L104 CarbonylContact O-C 3.53Å; L98-L104 WeakPolarHBondContact O-CA 3.27Å; L98-R105 PolarHBondContact N-O 3.41Å; L98-R105 PolarHBondContact O-N 2.8Å; L98-L107 HydrophobicContact CD1-CB 4.48Å; L98-L107 HydrophobicContact CD1-CD1 4.11Å; L98-L107 HydrophobicContact CD2-CD2 4.3Å; L98-L107 HydrophobicContact CG-CB 4.21Å; L98-L107 HydrophobicContact CG-CD2 4.26Å; L98-F121 HydrophobicContact CD1-CB 4.06Å; L98-F121 HydrophobicContact CD1-CD2 4.44Å; L98-F121 HydrophobicContact CD1-CG 4.14Å; L98-F121 HydrophobicContact CD2-CB 4.44Å; L98-F121 HydrophobicContact CD2-CD1 3.94Å; L98-F121 HydrophobicContact CD2-CD2 3.39Å; L98-F121 HydrophobicContact CD2-CE1 3.93Å; L98-F121 HydrophobicContact CD2-CE2 3.37Å; L98-F121 HydrophobicContact CD2-CG 3.67Å; L98-F121 HydrophobicContact CD2-CZ 3.65Å; L98-E125 HydrophobicContact CD1-CB 4.44Å; L98-A127 WeakPolarHBondContact CA-O 3.08Å; L98-L128 HydrophobicContact CD2-CD2 3.94Å
99D96.1Very high95.3Very high29 Ų2967.3 Ų67.316%0.15533%0.327CS..EExtended strand (participates in β ladder)trans-101.1115.9174177.717000110.7G102 L104 G126 A127 F129D99-G102 WeakPolarHBondContact OD1-CA 3.37Å; D99-G102 PolarHBondContact OD1-N 2.85Å; D99-L104 HydrophobicContact CB-CD2 3.64Å; D99-G126 CarbonylContact O-C 3.44Å; D99-G126 VanDerWaalsContact O-CA 3.29Å; D99-G126 WeakPolarHBondContact O-CA 3.38Å; D99-A127 PolarHBondContact N-O 2.75Å; D99-A127 PolarHBondContact O-N 2.94Å; D99-F129 HydrophobicContact CB-CB 3.99Å
100R94.8Very high95.4Very high148 Ų14861.9 Ų61.956%0.55830%0.304SS*.EExtended strand (participates in β ladder)trans-121103.9170-165.6174174.7-168.4-2.6110.5G102 K103 E125R100-G102 VanDerWaalsContact C-N 3.26Å; R100-G102 PolarHBondContact O-N 2.73Å; R100-K103 PolarHBondContact N-O 3Å; R100-K103 WeakPolarHBondContact O-CB 3.31Å; R100-K103 PolarHBondContact O-N 3.37Å; R100-K103 VanDerWaalsContact O-N 3.07Å; R100-E125 WeakPolarHBondContact CB-O 3.41Å
101N89.4Confident95.4Very high161 Ų16161.6 Ų61.686%0.86130%0.299SS*.THydrogen-bonded Turntrans54.741.5178.4-54.9-17.2000112.1K103N101-K103 VanDerWaalsContact C-N 3.29Å; N101-K103 PolarHBondContact O-N 3.37Å
102G88.6Confident95.4Very high60 Ų6064.1 Ų64.162%0.61931%0.312SS*.THydrogen-bonded Turntrans81.50.8-178.900000114.6D99 R100D99-G102 WeakPolarHBondContact OD1-CA 3.37Å; D99-G102 PolarHBondContact OD1-N 2.85Å; R100-G102 VanDerWaalsContact C-N 3.26Å; R100-G102 PolarHBondContact O-N 2.73Å
103K94.4Very high95.3Very high170 Ų17061.8 Ų61.874%0.73930%0.298SS*.EExtended strand (participates in β ladder)trans-94.3113.5173.1-64.3-175.4179-176.60109.4R100 N101R100-K103 PolarHBondContact N-O 3Å; R100-K103 WeakPolarHBondContact O-CB 3.31Å; R100-K103 PolarHBondContact O-N 3.37Å; R100-K103 VanDerWaalsContact O-N 3.07Å; N101-K103 VanDerWaalsContact C-N 3.29Å; N101-K103 PolarHBondContact O-N 3.37Å
104L96.5Very high95.2Very high86 Ų8664.6 Ų64.645%0.4532%0.321SS..EExtended strand (participates in β ladder)trans-89.2129.7-179.9-57.7-177.6000111.3Y97 L98 D99 F129Y97-L104 HydrophobicContact CD1-CB 4.39Å; L98-L104 CarbonylContact O-C 3.53Å; L98-L104 WeakPolarHBondContact O-CA 3.27Å; D99-L104 HydrophobicContact CB-CD2 3.64Å; L104-F129 HydrophobicContact CD1-CD1 3.78Å; L104-F129 HydrophobicContact CD1-CE1 3.83Å; L104-F129 HydrophobicContact CD1-CG 4.31Å; L104-F129 HydrophobicContact CD1-CZ 4.43Å; L104-F129 HydrophobicContact CD2-CB 3.74Å; L104-F129 HydrophobicContact CD2-CD1 4.02Å; L104-F129 HydrophobicContact CD2-CD2 4.36Å; L104-F129 HydrophobicContact CD2-CG 3.8Å
105R96.8Very high95Very high123 Ų12369.6 Ų69.646%0.46434%0.344SS..EExtended strand (participates in β ladder)trans-120.1121.5168.4-179.9175.373.181.2-16.2108.9Y97 L98 L107 E125Y97-R105 CarbonylContact C-O 3.47Å; Y97-R105 VanDerWaalsContact CA-O 3.32Å; Y97-R105 WeakPolarHBondContact CA-O 3.39Å; L98-R105 PolarHBondContact N-O 3.41Å; L98-R105 PolarHBondContact O-N 2.8Å; R105-L107 PolarHBondContact O-N 3.49Å; R105-E125 IonicContact CZ-OE1 3.44Å; R105-E125 IonicContact NE-OE1 3.62Å; R105-E125 IonicContact NH2-OE1 3.45Å; R105-E125 PolarHBondContact NH2-OE1 2.04Å
106L97.2Very high94.7Very high65 Ų6568.5 Ų68.534%0.3434%0.34SS..EExtended strand (participates in β ladder)trans-56.4127.2176.217967.8000110.5N95 Y97 R109N95-L106 HydrophobicContact CB-CD1 4.47Å; Y97-L106 HydrophobicContact CD1-CB 3.93Å; Y97-L106 HydrophobicContact CD1-CD1 4.03Å; Y97-L106 HydrophobicContact CE1-CB 4.03Å; Y97-L106 HydrophobicContact CE1-CD1 3.75Å; Y97-L106 HydrophobicContact CE1-CG 4.49Å; L106-R109 HydrophobicContact CD1-CG 4.08Å; L106-R109 HydrophobicContact CD2-CG 3.61Å; L106-R109 HydrophobicContact CG-CG 4.26Å
107L96.6Very high94.4Very high30 Ų3072.3 Ų72.316%0.15736%0.357CS..EExtended strand (participates in β ladder)trans-103.3-46.5175.4179.263.8000110.7I85 I96 L98 R105 H119 F121 L128I85-L107 HydrophobicContact CD1-CD2 3.77Å; I85-L107 HydrophobicContact CG1-CD2 4.47Å; I96-L107 HydrophobicContact CG2-CD2 4.26Å; I96-L107 WeakPolarHBondContact O-CA 3.33Å; I96-L107 WeakPolarHBondContact O-CB 3.1Å; I96-L107 PolarHBondContact O-N 3.48Å; L98-L107 HydrophobicContact CD1-CB 4.48Å; L98-L107 HydrophobicContact CD1-CD1 4.11Å; L98-L107 HydrophobicContact CD2-CD2 4.3Å; L98-L107 HydrophobicContact CG-CB 4.21Å; L98-L107 HydrophobicContact CG-CD2 4.26Å; R105-L107 PolarHBondContact O-N 3.49Å; L107-H119 HydrophobicContact CD1-CB 4.44Å; L107-F121 HydrophobicContact CD1-CD1 4.42Å; L107-F121 HydrophobicContact CD2-CD1 3.82Å; L107-F121 HydrophobicContact CD2-CE1 3.77Å; L107-L128 HydrophobicContact CD2-CD2 3.77Å
108L96.3Very high94.1Very high6 Ų673.2 Ų73.23%0.03137%0.367CS..EExtended strand (participates in β ladder)trans-150.2131-175.7-167.863.9000110.8P87 I96 D112 Q113 H119P87-L108 HydrophobicContact CB-CD2 4.24Å; P87-L108 HydrophobicContact CG-CD2 3.87Å; I96-L108 HydrophobicContact CB-CB 4.21Å; I96-L108 HydrophobicContact CD1-CD2 4.34Å; I96-L108 PolarHBondContact N-O 3.12Å; I96-L108 PolarHBondContact O-N 2.84Å; L108-D112 HydrophobicContact CD1-CB 3.74Å; L108-Q113 HydrophobicContact CD2-CB 4.29Å; L108-Q113 HydrophobicContact CD2-CG 3.68Å; L108-Q113 HydrophobicContact CG-CG 3.9Å; L108-H119 WeakPolarHBondContact CD1-NE2 3.43Å
109R96.9Very high93.9Very high123 Ų12375.6 Ų75.646%0.46438%0.378SS..  trans-88.7156.4175.2-56-179.3174.2154.6-4.1110.6N95 L106 Q111 D112 Q113N95-R109 WeakPolarHBondContact OD1-CA 3.42Å; L106-R109 HydrophobicContact CD1-CG 4.08Å; L106-R109 HydrophobicContact CD2-CG 3.61Å; L106-R109 HydrophobicContact CG-CG 4.26Å; R109-Q111 VanDerWaalsContact C-N 3.28Å; R109-Q111 HydrophobicContact CB-CG 4.37Å; R109-Q111 PolarHBondContact O-N 2.82Å; R109-D112 WeakPolarHBondContact CB-OD2 3.31Å; R109-D112 PolarHBondContact O-N 2.95Å; R109-D112 VanDerWaalsContact O-N 3.08Å; R109-Q113 VanDerWaalsContact O-CG 3.25Å; R109-Q113 WeakPolarHBondContact O-CG 3.48Å; R109-Q113 PolarHBondContact O-N 3.41Å
110E94.8Very high93.8Very high39 Ų3976.7 Ų76.718%0.18239%0.387CS..Hα-helixtrans-48.1-49.4176.4-174.7-179.1-171.500112.4G93 T94 N95 D112 Q113 V133 R141G93-E110 WeakPolarHBondContact CA-OE1 3.49Å; G93-E110 PolarHBondContact N-OE1 3.46Å; T94-E110 WeakPolarHBondContact O-CA 3.48Å; T94-E110 WeakPolarHBondContact O-CB 3.38Å; T94-E110 PolarHBondContact O-N 3.08Å; N95-E110 PolarHBondContact OD1-N 2.73Å; E110-D112 VanDerWaalsContact C-N 3.25Å; E110-D112 PolarHBondContact O-N 3.25Å; E110-Q113 WeakPolarHBondContact O-CB 3.39Å; E110-Q113 WeakPolarHBondContact O-CG 3.37Å; E110-Q113 PolarHBondContact O-N 3.18Å; E110-V133 HydrophobicContact CB-CG2 4.34Å; E110-V133 WeakPolarHBondContact OE2-CG2 3.4Å; E110-R141 IonicContact OE1-NH1 3.72Å; E110-R141 PolarHBondContact OE1-NH1 3.34Å
111Q93.4Very high93.7Very high122 Ų12269.9 Ų69.957%0.5736%0.362SS*.Hα-helixtrans-66-25.7-176.164.5-91.226.500114.2R109R109-Q111 VanDerWaalsContact C-N 3.28Å; R109-Q111 HydrophobicContact CB-CG 4.37Å; R109-Q111 PolarHBondContact O-N 2.82Å
112D94.4Very high93.8Very high55 Ų5563.5 Ų63.529%0.29433%0.33SS..Hα-helixtrans-87.7-14.7-176.6-54.2-31.2000110.7L108 R109 E110 A114 E115L108-D112 HydrophobicContact CD1-CB 3.74Å; R109-D112 WeakPolarHBondContact CB-OD2 3.31Å; R109-D112 PolarHBondContact O-N 2.95Å; R109-D112 VanDerWaalsContact O-N 3.08Å; E110-D112 VanDerWaalsContact C-N 3.25Å; E110-D112 PolarHBondContact O-N 3.25Å; D112-A114 VanDerWaalsContact C-N 3.29Å; D112-A114 PolarHBondContact O-N 2.94Å; D112-E115 WeakPolarHBondContact O-CB 3.46Å; D112-E115 PolarHBondContact O-N 3.18Å
113Q93.8Very high93.9Very high0 Ų062.2 Ų62.20%031%0.308CS..Hα-helixtrans-64.9-32.7-178.2-55.5-158.225.900112.7P87 S91 T94 L108 R109 E110 E115 G116P87-Q113 HydrophobicContact CB-CB 3.93Å; P87-Q113 HydrophobicContact CG-CB 4.35Å; P87-Q113 VanDerWaalsContact CG-O 3.26Å; P87-Q113 WeakPolarHBondContact CG-O 3.16Å; S91-Q113 PolarHBondContact OG-OE1 2.78Å; T94-Q113 PolarHBondContact O-NE2 2.81Å; L108-Q113 HydrophobicContact CD2-CB 4.29Å; L108-Q113 HydrophobicContact CD2-CG 3.68Å; L108-Q113 HydrophobicContact CG-CG 3.9Å; R109-Q113 VanDerWaalsContact O-CG 3.25Å; R109-Q113 WeakPolarHBondContact O-CG 3.48Å; R109-Q113 PolarHBondContact O-N 3.41Å; E110-Q113 WeakPolarHBondContact O-CB 3.39Å; E110-Q113 WeakPolarHBondContact O-CG 3.37Å; E110-Q113 PolarHBondContact O-N 3.18Å; Q113-E115 PolarHBondContact O-N 2.57Å; Q113-G116 PolarHBondContact O-N 2.93Å
114A92.4Very high93.7Very high58 Ų5861.5 Ų61.548%0.47930%0.301SS..THydrogen-bonded Turntrans-64.4-19.9-178.800000113.2D112 G116D112-A114 VanDerWaalsContact C-N 3.29Å; D112-A114 PolarHBondContact O-N 2.94Å; A114-G116 PolarHBondContact O-N 2.87Å
115E91.8Very high93.5Very high106 Ų10660.2 Ų60.250%0.49529%0.293SS..THydrogen-bonded Turntrans-64.1-23.4174.1-62.7-172-160.400112.1D112 Q113 K117D112-E115 WeakPolarHBondContact O-CB 3.46Å; D112-E115 PolarHBondContact O-N 3.18Å; Q113-E115 PolarHBondContact O-N 2.57Å; E115-K117 HydrophobicContact CB-CD 4.36Å; E115-K117 HydrophobicContact CB-CG 4.13Å; E115-K117 PolarHBondContact O-N 3.48Å; E115-K117 VanDerWaalsContact OE2-CD 3.28Å; E115-K117 WeakPolarHBondContact OE2-CD 3.28Å; E115-K117 VanDerWaalsContact OE2-CE 3.24Å; E115-K117 WeakPolarHBondContact OE2-CE 3.37Å; E115-K117 IonicContact OE2-NZ 3.37Å; E115-K117 PolarHBondContact OE2-NZ 2.02Å
116G91Very high93.3Very high8 Ų855.8 Ų55.88%0.08229%0.285CS..  trans6520.1178.800000113.8K86 Q113 A114K86-G116 WeakPolarHBondContact CE-O 3.43Å; K86-G116 WeakPolarHBondContact CG-O 3.44Å; Q113-G116 PolarHBondContact O-N 2.93Å; A114-G116 PolarHBondContact O-N 2.87Å
117K90.9Very high93.2Very high81 Ų8153.3 Ų53.335%0.35227%0.274SS..  trans-75.2148.5-179.2-74.5-178.4-178.3154.60111.5P87 E115 H119P87-K117 WeakPolarHBondContact CD-O 3.24Å; E115-K117 HydrophobicContact CB-CD 4.36Å; E115-K117 HydrophobicContact CB-CG 4.13Å; E115-K117 PolarHBondContact O-N 3.48Å; E115-K117 VanDerWaalsContact OE2-CD 3.28Å; E115-K117 WeakPolarHBondContact OE2-CD 3.28Å; E115-K117 VanDerWaalsContact OE2-CE 3.24Å; E115-K117 WeakPolarHBondContact OE2-CE 3.37Å; E115-K117 IonicContact OE2-NZ 3.37Å; E115-K117 PolarHBondContact OE2-NZ 2.02Å; K117-H119 PolarHBondContact O-CD2 2.7Å
118V92.2Very high93.2Very high65 Ų6552 Ų5239%0.39427%0.267SS..  trans-81.6125.5177.8178.80000109.4C84 I85 K86 F252C84-V118 HydrophobicContact CB-CG1 3.93Å; I85-V118 WeakPolarHBondContact O-CA 3.44Å; K86-V118 HydrophobicContact CB-CG2 4.15Å; K86-V118 HydrophobicContact CD-CG2 4.07Å; K86-V118 HydrophobicContact CG-CG2 4.05Å; V118-F252 HydrophobicContact CB-CE2 4.3Å; V118-F252 HydrophobicContact CG1-CD2 4.44Å; V118-F252 HydrophobicContact CG1-CE2 3.54Å; V118-F252 HydrophobicContact CG1-CZ 3.92Å; V118-F252 HydrophobicContact CG2-CD2 3.75Å; V118-F252 HydrophobicContact CG2-CE2 3.69Å; V118-F252 HydrophobicContact CG2-CZ 4.47Å
119H93.6Very high93.3Very high52 Ų5253 Ų5324%0.24127%0.271CS..EExtended strand (participates in β ladder)trans-113122.3175.2-65.4-89.6000110C84 I85 L107 L108 K117C84-H119 CarbonylContact C-O 3.57Å; C84-H119 VanDerWaalsContact CA-O 3.31Å; C84-H119 WeakPolarHBondContact CA-O 3.48Å; I85-H119 HydrophobicContact CG1-CB 4.2Å; I85-H119 PolarHBondContact N-O 3.46Å; I85-H119 PolarHBondContact O-N 3.37Å; L107-H119 HydrophobicContact CD1-CB 4.44Å; L108-H119 WeakPolarHBondContact CD1-NE2 3.43Å; K117-H119 PolarHBondContact O-CD2 2.7Å
120C93.6Very high93.3Very high53 Ų5347.1 Ų47.136%0.35825%0.249SC..EExtended strand (participates in β ladder)trans-115.3140.1-179.3-58.60000111.9V83 C84V83-C120 CarbonylContact O-C 3.57Å; V83-C120 VanDerWaalsContact O-CA 3.22Å; V83-C120 WeakPolarHBondContact O-CA 3.44Å; C84-C120 HydrophobicContact CB-CB 4.13Å; C84-C120 WeakPolarHBondContact CB-SG 3.46Å; C84-C120 WeakPolarHBondContact SG-CB 3.43Å; C84-C120 CovalentContact SG-SG 2.04Å; C84-C120 PolarHBondContact SG-SG 2.8Å
121F92.9Very high93.3Very high4 Ų449 Ų492%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-140.3155.8175.956.5-87.2000109.8S82 V83 L98 L107 E125 L128S82-F121 CarbonylContact C-O 3.53Å; S82-F121 WeakPolarHBondContact CA-O 3.34Å; V83-F121 HydrophobicContact CB-CD1 4.44Å; V83-F121 HydrophobicContact CB-CD2 4.13Å; V83-F121 HydrophobicContact CB-CE1 3.96Å; V83-F121 HydrophobicContact CB-CE2 3.62Å; V83-F121 HydrophobicContact CB-CZ 3.53Å; V83-F121 HydrophobicContact CG1-CE1 3.85Å; V83-F121 HydrophobicContact CG1-CE2 4.06Å; V83-F121 HydrophobicContact CG1-CZ 3.46Å; V83-F121 VanDerWaalsContact CG1-CZ 3.46Å; V83-F121 HydrophobicContact CG2-CE2 3.91Å; V83-F121 HydrophobicContact CG2-CZ 4.19Å; V83-F121 PolarHBondContact N-O 2.98Å; V83-F121 PolarHBondContact O-N 2.85Å; L98-F121 HydrophobicContact CD1-CB 4.06Å; L98-F121 HydrophobicContact CD1-CD2 4.44Å; L98-F121 HydrophobicContact CD1-CG 4.14Å; L98-F121 HydrophobicContact CD2-CB 4.44Å; L98-F121 HydrophobicContact CD2-CD1 3.94Å; L98-F121 HydrophobicContact CD2-CD2 3.39Å; L98-F121 HydrophobicContact CD2-CE1 3.93Å; L98-F121 HydrophobicContact CD2-CE2 3.37Å; L98-F121 HydrophobicContact CD2-CG 3.67Å; L98-F121 HydrophobicContact CD2-CZ 3.65Å; L107-F121 HydrophobicContact CD1-CD1 4.42Å; L107-F121 HydrophobicContact CD2-CD1 3.82Å; L107-F121 HydrophobicContact CD2-CE1 3.77Å; F121-E125 WeakPolarHBondContact CA-OE2 3.39Å; F121-E125 WeakPolarHBondContact CB-OE2 3.24Å; F121-E125 HydrophobicContact CD2-CB 4.38Å; F121-L128 HydrophobicContact CE1-CD2 3.76Å; F121-L128 HydrophobicContact CZ-CD1 4.44Å; F121-L128 HydrophobicContact CZ-CD2 3.56Å; F121-L128 HydrophobicContact CZ-CG 3.97Å
122S91.8Very high93.4Very high28 Ų2843.9 Ų43.920%0.19624%0.237CC..EExtended strand (participates in β ladder)trans-68140.6176.2179.10000109.5R124 E125S122-R124 PolarHBondContact O-N 2.8Å; S122-R124 PolarHBondContact OG-N 3.41Å; S122-E125 PolarHBondContact N-OE2 3.18Å; S122-E125 VanDerWaalsContact O-CB 3.3Å; S122-E125 WeakPolarHBondContact O-CB 3.07Å; S122-E125 PolarHBondContact O-N 3Å
123I90.9Very high93.3Very high33 Ų3343 Ų4317%0.16923%0.233CC..G310 helixtrans-57.5-19175.4-160.7167.8000113A78 L81 V83 E125A78-I123 WeakPolarHBondContact O-CG2 3.38Å; L81-I123 HydrophobicContact CB-CG2 4.35Å; L81-I123 WeakPolarHBondContact O-CB 3.31Å; L81-I123 VanDerWaalsContact O-CG2 3.24Å; L81-I123 WeakPolarHBondContact O-CG2 3.31Å; L81-I123 PolarHBondContact O-N 2.91Å; V83-I123 HydrophobicContact CG2-CB 4.26Å; V83-I123 HydrophobicContact CG2-CG1 4.13Å; I123-E125 VanDerWaalsContact C-N 3.27Å; I123-E125 PolarHBondContact O-N 2.84Å
124R90.2Very high93.1Very high154 Ų15449 Ų4958%0.58127%0.273SS*.G310 helixtrans-76.9-13.3175.9-57.6-173.4-170.7-151.82.3113.6A79 S122 G126A79-R124 PolarHBondContact O-NE 3.27Å; A79-R124 PolarHBondContact O-NH2 3.28Å; S122-R124 PolarHBondContact O-N 2.8Å; S122-R124 PolarHBondContact OG-N 3.41Å; R124-G126 PolarHBondContact O-N 3.12Å
125E91.9Very high92.6Very high60 Ų6049.9 Ų49.928%0.2827%0.266SS..G310 helixtrans-76.1-12.1178.5-66.4-176.876.200112.7L98 R100 R105 F121 S122 I123L98-E125 HydrophobicContact CD1-CB 4.44Å; R100-E125 WeakPolarHBondContact CB-O 3.41Å; R105-E125 IonicContact CZ-OE1 3.44Å; R105-E125 IonicContact NE-OE1 3.62Å; R105-E125 IonicContact NH2-OE1 3.45Å; R105-E125 PolarHBondContact NH2-OE1 2.04Å; F121-E125 WeakPolarHBondContact CA-OE2 3.39Å; F121-E125 WeakPolarHBondContact CB-OE2 3.24Å; F121-E125 HydrophobicContact CD2-CB 4.38Å; S122-E125 PolarHBondContact N-OE2 3.18Å; S122-E125 VanDerWaalsContact O-CB 3.3Å; S122-E125 WeakPolarHBondContact O-CB 3.07Å; S122-E125 PolarHBondContact O-N 3Å; I123-E125 VanDerWaalsContact C-N 3.27Å; I123-E125 PolarHBondContact O-N 2.84Å
126G92.1Very high92.1Very high29 Ų2952.2 Ų52.230%0.29929%0.288SS..  trans115.4-159.616900000114.2D99 R124D99-G126 CarbonylContact O-C 3.44Å; D99-G126 VanDerWaalsContact O-CA 3.29Å; D99-G126 WeakPolarHBondContact O-CA 3.38Å; R124-G126 PolarHBondContact O-N 3.12Å
127A95.5Very high91.8Very high14 Ų1455.2 Ų55.212%0.11630%0.302CS..EExtended strand (participates in β ladder)trans-88166.6179.900000111I66 V67 L98 D99I66-A127 HydrophobicContact CG2-CB 3.81Å; V67-A127 WeakPolarHBondContact O-CB 3.46Å; L98-A127 WeakPolarHBondContact CA-O 3.08Å; D99-A127 PolarHBondContact N-O 2.75Å; D99-A127 PolarHBondContact O-N 2.94Å
128L97.4Very high91.4Very high1 Ų159.7 Ų59.71%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-87.5123.7169.3-64170.1000108.9I66 V67 L69 I85 I96 Y97 L98 L107 F121 I130 F145I66-L128 CarbonylContact C-O 3.54Å; I66-L128 WeakPolarHBondContact CA-O 3.43Å; V67-L128 HydrophobicContact CB-CB 4.21Å; V67-L128 PolarHBondContact N-O 3.24Å; V67-L128 PolarHBondContact O-N 3.01Å; L69-L128 HydrophobicContact CD1-CD1 3.76Å; I85-L128 HydrophobicContact CD1-CD2 4.5Å; I85-L128 HydrophobicContact CG2-CD1 4.02Å; I96-L128 HydrophobicContact CG2-CD2 3.81Å; Y97-L128 CarbonylContact O-C 3.47Å; Y97-L128 WeakPolarHBondContact O-CA 3.17Å; L98-L128 HydrophobicContact CD2-CD2 3.94Å; L107-L128 HydrophobicContact CD2-CD2 3.77Å; F121-L128 HydrophobicContact CE1-CD2 3.76Å; F121-L128 HydrophobicContact CZ-CD1 4.44Å; F121-L128 HydrophobicContact CZ-CD2 3.56Å; F121-L128 HydrophobicContact CZ-CG 3.97Å; L128-I130 HydrophobicContact CB-CG1 4.42Å; L128-F145 HydrophobicContact CD1-CE2 4.06Å; L128-F145 HydrophobicContact CD1-CZ 3.8Å
129F97.4Very high91.3Very high27 Ų2758.5 Ų58.512%0.11832%0.323CS..EExtended strand (participates in β ladder)trans-100.6117.6167.2178.5-90.7000108V44 A64 I66 Y97 D99 L104 E131V44-F129 HydrophobicContact CG1-CE2 4.14Å; A64-F129 HydrophobicContact CB-CE1 4.02Å; A64-F129 HydrophobicContact CB-CE2 3.67Å; A64-F129 HydrophobicContact CB-CZ 3.37Å; I66-F129 HydrophobicContact CD1-CD2 4.01Å; I66-F129 HydrophobicContact CG1-CB 4.49Å; I66-F129 HydrophobicContact CG1-CD2 3.59Å; I66-F129 HydrophobicContact CG1-CE2 4.34Å; Y97-F129 AromaticContact CD2-CD1 3.87Å; Y97-F129 HydrophobicContact CD2-CD1 3.87Å; Y97-F129 WeakPolarHBondContact CD2-O 3.31Å; Y97-F129 HydrophobicContact CG-CD1 4.43Å; Y97-F129 PolarHBondContact N-O 3.49Å; Y97-F129 PolarHBondContact O-N 3.15Å; D99-F129 HydrophobicContact CB-CB 3.99Å; L104-F129 HydrophobicContact CD1-CD1 3.78Å; L104-F129 HydrophobicContact CD1-CE1 3.83Å; L104-F129 HydrophobicContact CD1-CG 4.31Å; L104-F129 HydrophobicContact CD1-CZ 4.43Å; L104-F129 HydrophobicContact CD2-CB 3.74Å; L104-F129 HydrophobicContact CD2-CD1 4.02Å; L104-F129 HydrophobicContact CD2-CD2 4.36Å; L104-F129 HydrophobicContact CD2-CG 3.8Å; F129-E131 HydrophobicContact CD1-CB 4.38Å; F129-E131 HydrophobicContact CE1-CB 3.84Å; F129-E131 HydrophobicContact CE1-CG 4.33Å
130I97.2Very high91.2Very high0 Ų064 Ų640%034%0.341CS..EExtended strand (participates in β ladder)trans-113.7115.7-175-55.4171.2000107.5L56 W58 A64 I65 V67 T94 N95 I96 L128 T143 F145L56-I130 HydrophobicContact CD1-CD1 4.17Å; L56-I130 HydrophobicContact CD2-CD1 4.4Å; W58-I130 HydrophobicContact CE3-CG2 4.1Å; W58-I130 HydrophobicContact CZ3-CG2 4.06Å; A64-I130 CarbonylContact C-O 3.53Å; A64-I130 WeakPolarHBondContact CA-O 3.38Å; A64-I130 WeakPolarHBondContact CB-O 3.09Å; I65-I130 HydrophobicContact CD1-CD1 4.18Å; I65-I130 HydrophobicContact CG1-CB 3.87Å; I65-I130 HydrophobicContact CG1-CD1 4.21Å; I65-I130 HydrophobicContact CG1-CG1 4.44Å; I65-I130 PolarHBondContact N-O 2.85Å; I65-I130 PolarHBondContact O-N 3.09Å; V67-I130 HydrophobicContact CG2-CD1 3.71Å; T94-I130 HydrophobicContact CG2-CG2 3.62Å; N95-I130 WeakPolarHBondContact O-CA 2.87Å; I96-I130 HydrophobicContact CG1-CG1 4.41Å; I96-I130 HydrophobicContact CG1-CG2 4.5Å; I96-I130 HydrophobicContact CG2-CG1 4.35Å; L128-I130 HydrophobicContact CB-CG1 4.42Å; I130-T143 HydrophobicContact CG2-CG2 4.22Å; I130-F145 HydrophobicContact CD1-CE1 3.61Å; I130-F145 HydrophobicContact CD1-CZ 4.04Å
131E95.7Very high91.1Very high78 Ų7864 Ų6436%0.36433%0.334SS..EExtended strand (participates in β ladder)trans-109.9130.6-174.3-172.8-178.9-147.700110.1T94 N95 Y97 F129T94-E131 CarbonylContact C-O 3.56Å; T94-E131 WeakPolarHBondContact CA-O 3.01Å; T94-E131 VanDerWaalsContact CB-O 3.23Å; T94-E131 WeakPolarHBondContact CB-O 3.43Å; N95-E131 PolarHBondContact N-O 2.88Å; N95-E131 PolarHBondContact O-N 2.87Å; Y97-E131 HydrophobicContact CD2-CB 4.45Å; Y97-E131 HydrophobicContact CE2-CB 3.88Å; Y97-E131 WeakPolarHBondContact CE2-OE2 3.07Å; Y97-E131 PolarHBondContact OH-OE2 2.87Å; Y97-E131 VanDerWaalsContact OH-OE2 3.09Å; F129-E131 HydrophobicContact CD1-CB 4.38Å; F129-E131 HydrophobicContact CE1-CB 3.84Å; F129-E131 HydrophobicContact CE1-CG 4.33Å
132A94.5Very high91.3Very high16 Ų1665.6 Ų65.613%0.13234%0.342CS..EExtended strand (participates in β ladder)trans-67.2133.1174.200000111.2W58 P61 G63 G93W58-A132 HydrophobicContact CH2-CB 4.48Å; P61-A132 HydrophobicContact CB-CB 4.03Å; P61-A132 WeakPolarHBondContact O-CB 3.44Å; G63-A132 WeakPolarHBondContact O-CB 3.19Å; G63-A132 PolarHBondContact O-N 3.19Å; G93-A132 CarbonylContact O-C 3.31Å; G93-A132 WeakPolarHBondContact O-CA 3.4Å
133V93.7Very high91.5Very high35 Ų3564.3 Ų64.321%0.21233%0.333CS..PPolyproline II helixtrans-77.2126.7173.2178.50000108.8G93 E110 H135G93-V133 PolarHBondContact O-N 2.78Å; E110-V133 HydrophobicContact CB-CG2 4.34Å; E110-V133 WeakPolarHBondContact OE2-CG2 3.4Å; V133-H135 PolarHBondContact O-N 2.63Å; V133-H135 PolarHBondContact O-ND1 2.79Å
134P87.7Confident91.8Very high128 Ų12863.6 Ų63.683%0.83133%0.332SS*.PPolyproline II helixtrans-58.1129.9177.1-2433.4000111.1
135H82.4Confident92.2Very high75 Ų7556.5 Ų56.535%0.34731%0.306SS..  trans-141.6153.9178.159.9-75000109.7V133 D137V133-H135 PolarHBondContact O-N 2.63Å; V133-H135 PolarHBondContact O-ND1 2.79Å; H135-D137 PolarHBondContact CD2-O 2.87Å; H135-D137 IonicContact CD2-OD1 2.82Å; H135-D137 PolarHBondContact CD2-OD1 2.86Å; H135-D137 IonicContact CG-OD1 2.72Å
136T81.3Confident92.4Very high155 Ų15557.7 Ų57.795%0.95131%0.311SS*.SBendtrans-106.3-5.7-175.955.70000113.1
137D85.1Confident92.6Very high71 Ų7156.3 Ų56.338%0.3830%0.297SS..SBendtrans-94.9165.3179.263.1-12.9000111.8H135 S139 R141H135-D137 PolarHBondContact CD2-O 2.87Å; H135-D137 IonicContact CD2-OD1 2.82Å; H135-D137 PolarHBondContact CD2-OD1 2.86Å; H135-D137 IonicContact CG-OD1 2.72Å; D137-S139 VanDerWaalsContact C-N 3.27Å; D137-S139 PolarHBondContact OD1-OG 3.19Å; D137-S139 WeakPolarHBondContact OD2-CB 3.3Å; D137-S139 PolarHBondContact OD2-OG 2.88Å; D137-R141 IonicContact OD1-NH2 3.47Å; D137-R141 IonicContact OD2-NH2 3.84Å
138I83.1Confident92.5Very high176 Ų17656.5 Ų56.590%0.90330%0.295SS*.  trans-97.123.6173.859169.1000111.3
139S88.5Confident92.2Very high39 Ų3957.7 Ų57.727%0.27330%0.301SS..  trans-65.9144.3-174.8610000110.6D137 R141D137-S139 VanDerWaalsContact C-N 3.27Å; D137-S139 PolarHBondContact OD1-OG 3.19Å; D137-S139 WeakPolarHBondContact OD2-CB 3.3Å; D137-S139 PolarHBondContact OD2-OG 2.88Å; S139-R141 PolarHBondContact O-N 3.24Å; S139-R141 PolarHBondContact OG-NE 3.41Å
140R91.6Very high91.8Very high168 Ų16856.9 Ų56.963%0.63430%0.299SS*.  trans-70.3115.2175.3-178-180179.1-162.9-4108.7Y60 I142Y60-R140 HydrophobicContact CE1-CB 4.16Å; Y60-R140 HydrophobicContact CE1-CG 4.19Å; R140-I142 HydrophobicContact CG-CG1 4.35Å
141R93.4Very high91.3Very high54 Ų5458.7 Ų58.720%0.20431%0.312CS..  trans-117.1141.6172.8-66176.7-175.6-93.1-4.4109.7Y60 P61 E110 D137 S139Y60-R141 PolarHBondContact N-O 3.33Å; P61-R141 HydrophobicContact CG-CB 4.45Å; E110-R141 IonicContact OE1-NH1 3.72Å; E110-R141 PolarHBondContact OE1-NH1 3.34Å; D137-R141 IonicContact OD1-NH2 3.47Å; D137-R141 IonicContact OD2-NH2 3.84Å; S139-R141 PolarHBondContact O-N 3.24Å; S139-R141 PolarHBondContact OG-NE 3.41Å
142I95.8Very high90.4Very high37 Ų3757.2 Ų57.219%0.1931%0.306CS..EExtended strand (participates in β ladder)trans-136.5119.3-179.2-50.6-179.7000106.8E57 W58 L59 S91 T92 R140 A144E57-I142 HydrophobicContact CG-CG2 3.76Å; W58-I142 WeakPolarHBondContact O-CA 3.12Å; L59-I142 HydrophobicContact CD2-CB 4.46Å; L59-I142 HydrophobicContact CD2-CD1 3.81Å; L59-I142 HydrophobicContact CD2-CG1 3.77Å; L59-I142 HydrophobicContact CD2-CG2 4.03Å; S91-I142 CarbonylContact C-O 3.52Å; S91-I142 VanDerWaalsContact CA-O 3.28Å; S91-I142 WeakPolarHBondContact CA-O 3.04Å; T92-I142 PolarHBondContact N-O 3.48Å; T92-I142 CarbonylContact O-C 3.59Å; T92-I142 VanDerWaalsContact O-C 3.31Å; R140-I142 HydrophobicContact CG-CG1 4.35Å; I142-A144 HydrophobicContact CG2-CB 4.23Å
143T97Very high89.2Confident0 Ų064 Ų640%033%0.328CS..EExtended strand (participates in β ladder)trans-90.6118.7166.6-67.40000108.2W58 S91 T92 T94 I130W58-T143 PolarHBondContact N-O 3.16Å; W58-T143 PolarHBondContact O-N 2.82Å; S91-T143 WeakPolarHBondContact OG-CA 3.22Å; T92-T143 PolarHBondContact O-N 2.72Å; T92-T143 PolarHBondContact O-OG1 3.1Å; T94-T143 WeakPolarHBondContact CB-OG1 3.45Å; T94-T143 HydrophobicContact CG2-CG2 4.17Å; T94-T143 WeakPolarHBondContact CG2-OG1 3.14Å; T94-T143 WeakPolarHBondContact OG1-CB 3.48Å; T94-T143 WeakPolarHBondContact OG1-CG2 3.22Å; T94-T143 PolarHBondContact OG1-OG1 3.47Å; I130-T143 HydrophobicContact CG2-CG2 4.22Å
144A97.2Very high87.9Confident19 Ų1967.5 Ų67.516%0.15735%0.345CS..EExtended strand (participates in β ladder)trans-140133.8-177.700000111.9L56 E57 S88 S91 I142L56-A144 WeakPolarHBondContact O-CA 3.44Å; E57-A144 HydrophobicContact CG-CB 4.5Å; S88-A144 PolarHBondContact N-O 2.95Å; S91-A144 WeakPolarHBondContact CB-O 3.47Å; S91-A144 PolarHBondContact OG-N 3.25Å; S91-A144 PolarHBondContact OG-O 2.83Å; I142-A144 HydrophobicContact CG2-CB 4.23Å
145F97.3Very high87Confident5 Ų565.1 Ų65.12%0.02232%0.32CS..EExtended strand (participates in β ladder)trans-150.3157.6172.563.4-95.5000111.4S55 L56 I85 K86 I96 L128 I130S55-F145 CarbonylContact C-O 3.49Å; S55-F145 WeakPolarHBondContact CA-O 3.31Å; L56-F145 HydrophobicContact CB-CD1 4.26Å; L56-F145 HydrophobicContact CB-CD2 4.43Å; L56-F145 HydrophobicContact CB-CE1 3.87Å; L56-F145 HydrophobicContact CB-CE2 4.05Å; L56-F145 HydrophobicContact CB-CZ 3.75Å; L56-F145 HydrophobicContact CD1-CE1 4.05Å; L56-F145 HydrophobicContact CD1-CZ 3.84Å; L56-F145 HydrophobicContact CD2-CD1 4.25Å; L56-F145 HydrophobicContact CD2-CE1 3.75Å; L56-F145 HydrophobicContact CD2-CZ 4.35Å; L56-F145 HydrophobicContact CG-CE1 4.09Å; L56-F145 HydrophobicContact CG-CZ 4.18Å; L56-F145 PolarHBondContact N-O 2.96Å; L56-F145 PolarHBondContact O-N 2.82Å; I85-F145 HydrophobicContact CB-CD2 3.97Å; I85-F145 HydrophobicContact CB-CE2 4.42Å; I85-F145 HydrophobicContact CG2-CD2 3.87Å; I85-F145 HydrophobicContact CG2-CE2 3.83Å; K86-F145 CarbonylContact O-C 3.5Å; K86-F145 VanDerWaalsContact O-CA 3.27Å; K86-F145 WeakPolarHBondContact O-CA 3.33Å; K86-F145 VanDerWaalsContact O-CB 3.31Å; K86-F145 WeakPolarHBondContact O-CB 3.29Å; I96-F145 HydrophobicContact CD1-CD1 4.28Å; I96-F145 HydrophobicContact CD1-CE1 4.45Å; L128-F145 HydrophobicContact CD1-CE2 4.06Å; L128-F145 HydrophobicContact CD1-CZ 3.8Å; I130-F145 HydrophobicContact CD1-CE1 3.61Å; I130-F145 HydrophobicContact CD1-CZ 4.04Å
146Q96.6Very high86Confident84 Ų8464.3 Ų64.339%0.39333%0.326SS..EExtended strand (participates in β ladder)trans-96.6150.1166.4-68.5176.8-8.300109.5G54 I85 K86 F252G54-Q146 WeakPolarHBondContact O-CA 3.38Å; I85-Q146 CarbonylContact C-O 3.52Å; I85-Q146 VanDerWaalsContact CA-O 3.26Å; I85-Q146 WeakPolarHBondContact CA-O 3.24Å; K86-Q146 PolarHBondContact N-O 2.96Å; K86-Q146 PolarHBondContact O-N 3.41Å; Q146-F252 HydrophobicContact CB-CD1 3.73Å; Q146-F252 HydrophobicContact CB-CE1 4.3Å; Q146-F252 VanDerWaalsContact OE1-C 3.28Å; Q146-F252 VanDerWaalsContact OE1-CA 3.23Å; Q146-F252 PolarHBondContact OE1-O 3.32Å
147Y95.5Very high85Confident1 Ų162 Ų620%0.00431%0.305CS..EExtended strand (participates in β ladder)trans-129.5151.1173.675.3-87.4000111.3C28 L49 Q53 G54 L69 C84C28-Y147 WeakPolarHBondContact O-CE1 3.47Å; C28-Y147 VanDerWaalsContact O-CZ 3.29Å; C28-Y147 PolarHBondContact O-OH 3.45Å; L49-Y147 HydrophobicContact CB-CE1 4.37Å; L49-Y147 HydrophobicContact CD1-CD1 4.3Å; L49-Y147 HydrophobicContact CD1-CE1 3.59Å; Q53-Y147 CarbonylContact C-O 3.53Å; Q53-Y147 WeakPolarHBondContact CA-O 3.33Å; G54-Y147 VanDerWaalsContact C-CD1 3.46Å; G54-Y147 PolarHBondContact N-O 3.32Å; G54-Y147 WeakPolarHBondContact O-CD1 3.24Å; G54-Y147 PolarHBondContact O-N 2.85Å; L69-Y147 HydrophobicContact CD1-CD2 4.22Å; L69-Y147 HydrophobicContact CD1-CG 4.12Å; L69-Y147 HydrophobicContact CD2-CD1 4.04Å; L69-Y147 HydrophobicContact CD2-CD2 3.84Å; L69-Y147 HydrophobicContact CD2-CE1 4.09Å; L69-Y147 HydrophobicContact CD2-CE2 3.89Å; L69-Y147 HydrophobicContact CD2-CG 3.92Å; C84-Y147 CarbonylContact O-C 3.56Å; C84-Y147 VanDerWaalsContact O-CA 3.26Å; C84-Y147 WeakPolarHBondContact O-CA 3.37Å
148E94.4Very high83.8Confident17 Ų1761.9 Ų61.98%0.07931%0.313CS..EExtended strand (participates in β ladder)trans-142.8143.8174.4-65.4-175.9172.200110.8S52 Q53 C84 R251 F252S52-E148 CarbonylContact O-C 3.59Å; S52-E148 WeakPolarHBondContact O-CA 3.4Å; Q53-E148 HydrophobicContact CB-CG 3.87Å; C84-E148 PolarHBondContact N-O 3.49Å; C84-E148 PolarHBondContact O-N 2.66Å; E148-R251 IonicContact OE2-CZ 3.72Å; E148-R251 IonicContact OE2-NE 2.63Å; E148-R251 PolarHBondContact OE2-NE 3.4Å; E148-R251 IonicContact OE2-NH2 2.7Å; E148-R251 PolarHBondContact OE2-NH2 3.07Å; E148-F252 HydrophobicContact CB-CE1 4.25Å; E148-F252 HydrophobicContact CB-CZ 4.11Å; E148-F252 HydrophobicContact CG-CD1 4.19Å; E148-F252 HydrophobicContact CG-CE1 3.87Å; E148-F252 HydrophobicContact CG-CZ 4.11Å; E148-F252 PolarHBondContact OE1-N 2.81Å
149L91.8Very high82.6Confident26 Ų2659.8 Ų59.814%0.13630%0.299CS..EExtended strand (participates in β ladder)trans-96.8128.1171.9-57.9-175.4000109.4C51 S52 P71 L81 S82 V83C51-L149 WeakPolarHBondContact O-CD1 3.4Å; S52-L149 PolarHBondContact O-N 3.31Å; P71-L149 HydrophobicContact CB-CD1 3.97Å; L81-L149 HydrophobicContact CD1-CD1 4.48Å; S82-L149 WeakPolarHBondContact O-CA 3.19Å; V83-L149 HydrophobicContact CB-CD2 4.32Å; V83-L149 HydrophobicContact CG1-CD2 4.46Å; V83-L149 HydrophobicContact CG2-CD2 3.68Å
150V88.9Confident81Confident10 Ų1060 Ų606%0.06130%0.301CS..EExtended strand (participates in β ladder)trans-128.3140.6-172.9-161.40000109.1L81 S82 C84 D152L81-V150 CarbonylContact C-O 3.51Å; L81-V150 VanDerWaalsContact CA-O 3.29Å; L81-V150 WeakPolarHBondContact CA-O 3.37Å; S82-V150 PolarHBondContact N-O 3.08Å; S82-V150 PolarHBondContact O-N 3.26Å; C84-V150 HydrophobicContact CB-CG2 4.36Å; V150-D152 PolarHBondContact O-N 3.21Å
151S85.3Confident78.8Confident39 Ų3958.7 Ų58.727%0.27331%0.314SS..EExtended strand (participates in β ladder)trans-66.8131.5170.9178.30000111R153 L154 R155S151-R153 PolarHBondContact O-N 3.5Å; S151-R153 PolarHBondContact OG-N 2.86Å; S151-L154 PolarHBondContact O-N 2.96Å; S151-R155 PolarHBondContact O-N 2.87Å
152D77.9Confident76.9Confident47 Ų4758.4 Ų58.425%0.25133%0.328SS..Hα-helixtrans-58.5-30.6175.6-70.6-20.8000111.8R80 S82 V150 R155 A156R80-D152 VanDerWaalsContact C-CG 3.46Å; R80-D152 WeakPolarHBondContact CA-OD2 3.46Å; R80-D152 VanDerWaalsContact O-CB 3.29Å; R80-D152 WeakPolarHBondContact O-CB 3.36Å; R80-D152 PolarHBondContact O-N 2.9Å; S82-D152 WeakPolarHBondContact CB-OD1 3.33Å; S82-D152 PolarHBondContact N-OD1 3.32Å; S82-D152 PolarHBondContact OG-OD1 3.48Å; V150-D152 PolarHBondContact O-N 3.21Å; D152-R155 PolarHBondContact O-N 2.85Å; D152-A156 WeakPolarHBondContact O-CB 3.21Å; D152-A156 PolarHBondContact O-N 3.46Å
153R68.8Low75.1Confident157 Ų15758.9 Ų58.959%0.59234%0.337SS*.Hα-helixtrans-65.7-52.5175.9-70.4-173.8172.5-174.2-5.1111.7S151 R155 A156 E157S151-R153 PolarHBondContact O-N 3.5Å; S151-R153 PolarHBondContact OG-N 2.86Å; R153-R155 PolarHBondContact O-N 2.85Å; R153-A156 PolarHBondContact O-N 3.02Å; R153-A156 VanDerWaalsContact O-N 3.1Å; R153-E157 WeakPolarHBondContact O-CB 3.32Å; R153-E157 WeakPolarHBondContact O-CG 3.27Å; R153-E157 PolarHBondContact O-N 2.7Å
154L66.7Low73.6Confident109 Ų10960.6 Ų60.657%0.57135%0.349SS*.Hα-helixtrans-61.1-34.1177.8-64.5175.4000111S151 A158S151-L154 PolarHBondContact O-N 2.96Å; L154-A158 VanDerWaalsContact O-CB 3.28Å; L154-A158 WeakPolarHBondContact O-CB 3.16Å; L154-A158 PolarHBondContact O-N 2.79Å
155R68.2Low72.7Confident79 Ų7962.1 Ų62.130%0.29836%0.358SS..Hα-helixtrans-66.2-46.7174-164.9-176.795.417112.8111.9S82 S151 D152 R153 A158 Q159S82-R155 PolarHBondContact OG-NH1 3.47Å; S151-R155 PolarHBondContact O-N 2.87Å; D152-R155 PolarHBondContact O-N 2.85Å; R153-R155 PolarHBondContact O-N 2.85Å; R155-A158 PolarHBondContact O-N 2.75Å; R155-Q159 WeakPolarHBondContact O-CB 3.47Å; R155-Q159 WeakPolarHBondContact O-CG 3.14Å; R155-Q159 PolarHBondContact O-N 2.85Å
156A62.5Low72Confident58 Ų5868.6 Ų68.648%0.47939%0.388SS..Hα-helixtrans-65.8-38.2178.700000112.1D152 R153 Q159 S160D152-A156 WeakPolarHBondContact O-CB 3.21Å; D152-A156 PolarHBondContact O-N 3.46Å; R153-A156 PolarHBondContact O-N 3.02Å; R153-A156 VanDerWaalsContact O-N 3.1Å; A156-Q159 PolarHBondContact O-N 2.85Å; A156-S160 PolarHBondContact O-N 3.45Å; A156-S160 VanDerWaalsContact O-N 3.11Å
157E59Low71.5Confident107 Ų10770 Ų7050%0.540%0.404SS..Hα-helixtrans-64.5-46.6174.9-73.1162.4-169.900111.1R153 Q159 S160 A163R153-E157 WeakPolarHBondContact O-CB 3.32Å; R153-E157 WeakPolarHBondContact O-CG 3.27Å; R153-E157 PolarHBondContact O-N 2.7Å; E157-Q159 VanDerWaalsContact C-N 3.25Å; E157-Q159 PolarHBondContact O-N 2.8Å; E157-S160 WeakPolarHBondContact O-CB 3.43Å; E157-S160 PolarHBondContact O-N 2.89Å; E157-S160 VanDerWaalsContact O-N 3.16Å; E157-S160 PolarHBondContact O-OG 2.97Å; E157-A163 WeakPolarHBondContact O-CB 3.2Å
158A60.4Low71.3Confident67 Ų6771.5 Ų71.555%0.55442%0.415SS*.Hα-helixtrans-64.7-26.4175.500000113.7L154 R155L154-A158 VanDerWaalsContact O-CB 3.28Å; L154-A158 WeakPolarHBondContact O-CB 3.16Å; L154-A158 PolarHBondContact O-N 2.79Å; R155-A158 PolarHBondContact O-N 2.75Å
159Q59Low71.2Confident132 Ų13273.3 Ų73.362%0.61743%0.429SS*.THydrogen-bonded Turntrans-89.9-3177.8-71.4172.9-0.800113.3R155 A156 E157R155-Q159 WeakPolarHBondContact O-CB 3.47Å; R155-Q159 WeakPolarHBondContact O-CG 3.14Å; R155-Q159 PolarHBondContact O-N 2.85Å; A156-Q159 PolarHBondContact O-N 2.85Å; E157-Q159 VanDerWaalsContact C-N 3.25Å; E157-Q159 PolarHBondContact O-N 2.8Å
160S53.1Low71.4Confident44 Ų4476.6 Ų76.631%0.30845%0.447SS..SBendtrans-74.2136.4-179.170.10000111.5A156 E157 G162 A163 P164A156-S160 PolarHBondContact O-N 3.45Å; A156-S160 VanDerWaalsContact O-N 3.11Å; E157-S160 WeakPolarHBondContact O-CB 3.43Å; E157-S160 PolarHBondContact O-N 2.89Å; E157-S160 VanDerWaalsContact O-N 3.16Å; E157-S160 PolarHBondContact O-OG 2.97Å; S160-G162 PolarHBondContact O-N 3.1Å; S160-A163 WeakPolarHBondContact OG-CB 3.29Å; S160-P164 WeakPolarHBondContact O-CD 3.43Å
161P46.2Very low71.6Confident140 Ų14079.6 Ų79.691%0.90947%0.473SS*.THydrogen-bonded Turntrans-71.588.6-179.828.1-33.8000110.2
162G52.7Low72Confident48 Ų4882.6 Ų82.650%0.49548%0.482SS..THydrogen-bonded Turntrans143.8-31.2175.600000114.6S160S160-G162 PolarHBondContact O-N 3.1Å
163A58.7Low72.7Confident47 Ų4781 Ų8139%0.38847%0.473SS..G310 helixtrans-62.3-34.518000000116.1E157 S160 C165E157-A163 WeakPolarHBondContact O-CB 3.2Å; S160-A163 WeakPolarHBondContact OG-CB 3.29Å; A163-C165 PolarHBondContact O-N 3.19Å; A163-C165 VanDerWaalsContact O-N 3.14Å
164P65.9Low74Confident37 Ų3774.7 Ų74.724%0.2445%0.452CS..G310 helixtrans-72.1-15.5-167.4-1931.7000114.9S160 P232 C235S160-P164 WeakPolarHBondContact O-CD 3.43Å; P164-P232 HydrophobicContact CB-CB 4.32Å; P164-P232 HydrophobicContact CB-CG 3.84Å; P164-C235 PolarHBondContact O-SG 2.87Å
165C78.3Confident75.3Confident50 Ų5073.9 Ų73.934%0.33845%0.448SS..G310 helixtrans-123.82.6-172.7-47.10000113.3A163 Q234 C235A163-C165 PolarHBondContact O-N 3.19Å; A163-C165 VanDerWaalsContact O-N 3.14Å; C165-Q234 VanDerWaalsContact SG-CG 3.5Å; C165-C235 WeakPolarHBondContact CA-SG 3.42Å; C165-C235 HydrophobicContact CB-CB 3.68Å; C165-C235 WeakPolarHBondContact CB-SG 3.13Å; C165-C235 WeakPolarHBondContact SG-CA 3.38Å; C165-C235 WeakPolarHBondContact SG-CB 3.15Å; C165-C235 PolarHBondContact SG-N 2.83Å; C165-C235 CovalentContact SG-SG 2.04Å; C165-C235 PolarHBondContact SG-SG 3.26Å
166Q82.9Confident76.6Confident142 Ų14270.5 Ų70.566%0.66444%0.436SS*.SBendtrans-70.7131.2176.7-171.3175.1-38.700108.8C168Q166-C168 PolarHBondContact O-N 3.26Å
167P85.6Confident78.1Confident112 Ų11268.3 Ų68.373%0.72742%0.417SS*.PPolyproline II helixtrans-57.4136.5171.9-2333.2000110.4
168C90.5Very high79.8Confident34 Ų3464.4 Ų64.423%0.2340%0.401CS..PPolyproline II helixtrans-61.2138.3176.4-61.20000110.9Q166 E172 C259Q166-C168 PolarHBondContact O-N 3.26Å; C168-E172 HydrophobicContact CB-CB 4.09Å; C168-C259 HydrophobicContact CB-CB 3.83Å; C168-C259 WeakPolarHBondContact CB-SG 3.35Å; C168-C259 VanDerWaalsContact SG-CA 3.53Å; C168-C259 WeakPolarHBondContact SG-CB 3.47Å; C168-C259 CovalentContact SG-SG 2.02Å; C168-C259 PolarHBondContact SG-SG 2.93Å
169S93.3Very high81.4Confident54 Ų5464.9 Ų64.938%0.37840%0.397SS..PPolyproline II helixtrans-66.9163.8167.863.20000111.5A171 E172 M173S169-A171 VanDerWaalsContact C-N 3.28Å; S169-A171 PolarHBondContact O-N 3.21Å; S169-E172 WeakPolarHBondContact CB-OE2 3.34Å; S169-E172 PolarHBondContact N-OE2 2.78Å; S169-E172 PolarHBondContact O-N 2.87Å; S169-E172 VanDerWaalsContact O-N 3.16Å; S169-E172 WeakPolarHBondContact OG-CB 3.32Å; S169-E172 WeakPolarHBondContact OG-CG 3.43Å; S169-E172 PolarHBondContact OG-N 2.88Å; S169-E172 PolarHBondContact OG-OE2 3.28Å; S169-M173 WeakPolarHBondContact O-CB 3.19Å; S169-M173 PolarHBondContact O-N 2.73Å
170D94.6Very high83.1Confident95 Ų9559.9 Ų59.951%0.50838%0.375SS..Hα-helixtrans-58.2-41.6-179.7-61.3-14.9000112M173 L174 L269D170-M173 PolarHBondContact O-N 3.43Å; D170-L174 WeakPolarHBondContact O-CG 3.26Å; D170-L174 PolarHBondContact O-N 3.01Å; D170-L269 HydrophobicContact CB-CD1 4.22Å; D170-L269 HydrophobicContact CB-CD2 4.05Å; D170-L269 WeakPolarHBondContact OD1-CD1 3.26Å
171A93.4Very high85Confident74 Ų7459 Ų5961%0.61237%0.367SS*.Hα-helixtrans-66-42.2177.100000112.2S169 M173 L175S169-A171 VanDerWaalsContact C-N 3.28Å; S169-A171 PolarHBondContact O-N 3.21Å; A171-M173 VanDerWaalsContact C-N 3.33Å; A171-L175 WeakPolarHBondContact O-CB 3.34Å; A171-L175 PolarHBondContact O-N 2.83Å
172E93.3Very high87.4Confident101 Ų10152.4 Ų52.447%0.47232%0.324SS..Hα-helixtrans-64.2-40.3175.5-74.2166.514900111.3C168 S169 L175 A176C168-E172 HydrophobicContact CB-CB 4.09Å; S169-E172 WeakPolarHBondContact CB-OE2 3.34Å; S169-E172 PolarHBondContact N-OE2 2.78Å; S169-E172 PolarHBondContact O-N 2.87Å; S169-E172 VanDerWaalsContact O-N 3.16Å; S169-E172 WeakPolarHBondContact OG-CB 3.32Å; S169-E172 WeakPolarHBondContact OG-CG 3.43Å; S169-E172 PolarHBondContact OG-N 2.88Å; S169-E172 PolarHBondContact OG-OE2 3.28Å; E172-L175 PolarHBondContact O-N 2.76Å; E172-A176 WeakPolarHBondContact O-CB 3.27Å; E172-A176 PolarHBondContact O-N 3.03Å
173M93.9Very high89.5Confident13 Ų1350.1 Ų50.16%0.06430%0.3CS..Hα-helixtrans-62.5-48.3178.1-171.2-174.3-47.900111.6S169 D170 A171 L175 A176 V177 P261 F266 L269S169-M173 WeakPolarHBondContact O-CB 3.19Å; S169-M173 PolarHBondContact O-N 2.73Å; D170-M173 PolarHBondContact O-N 3.43Å; A171-M173 VanDerWaalsContact C-N 3.33Å; M173-L175 VanDerWaalsContact C-N 3.34Å; M173-L175 PolarHBondContact O-N 3.26Å; M173-A176 PolarHBondContact O-N 3.35Å; M173-V177 PolarHBondContact O-N 3.44Å; M173-P261 HydrophobicContact CE-CB 3.61Å; M173-P261 HydrophobicContact CE-CG 3.86Å; M173-P261 HydrophobicContact CG-CG 4.01Å; M173-P261 HydrophobicContact SD-CB 3.92Å; M173-P261 HydrophobicContact SD-CG 3.62Å; M173-F266 HydrophobicContact CG-CD2 4.27Å; M173-F266 HydrophobicContact SD-CB 3.9Å; M173-F266 HydrophobicContact SD-CD2 4.15Å; M173-L269 HydrophobicContact CE-CD1 3.69Å; M173-L269 HydrophobicContact SD-CD1 3.66Å
174L95.3Very high91.3Very high26 Ų2647.9 Ų47.914%0.13628%0.282CS..Hα-helixtrans-62.4-42.1177.8-70.6172.3000111.5D170 C178 Y270 A273 P280D170-L174 WeakPolarHBondContact O-CG 3.26Å; D170-L174 PolarHBondContact O-N 3.01Å; L174-C178 PolarHBondContact O-SG 3.07Å; L174-Y270 HydrophobicContact CD2-CD2 4.12Å; L174-A273 HydrophobicContact CD1-CB 3.84Å; L174-A273 HydrophobicContact CD2-CB 4.19Å; L174-P280 HydrophobicContact CB-CG 4Å; L174-P280 VanDerWaalsContact O-CG 3.31Å; L174-P280 WeakPolarHBondContact O-CG 3.43Å
175L95Very high92.7Very high92 Ų9248 Ų4848%0.48228%0.278SS..Hα-helixtrans-69.8-41.4178.9-173.263.6000112.2A171 E172 M173 V177 C178 T179 P280A171-L175 WeakPolarHBondContact O-CB 3.34Å; A171-L175 PolarHBondContact O-N 2.83Å; E172-L175 PolarHBondContact O-N 2.76Å; M173-L175 VanDerWaalsContact C-N 3.34Å; M173-L175 PolarHBondContact O-N 3.26Å; L175-V177 PolarHBondContact O-N 3.07Å; L175-C178 WeakPolarHBondContact O-CA 3.31Å; L175-C178 WeakPolarHBondContact O-CB 3.49Å; L175-C178 PolarHBondContact O-N 3.34Å; L175-T179 HydrophobicContact CD1-CG2 3.78Å; L175-T179 HydrophobicContact CG-CG2 4.06Å; L175-T179 PolarHBondContact O-N 2.9Å; L175-T179 PolarHBondContact O-OG1 3.02Å; L175-T179 VanDerWaalsContact O-OG1 3.08Å; L175-P280 HydrophobicContact CD1-CB 4.49Å
176A94.2Very high93.5Very high7 Ų745.7 Ų45.76%0.05826%0.261CS..Hα-helixtrans-57-38.7-178.100000112E172 M173 C178 T179 N180 T247E172-A176 WeakPolarHBondContact O-CB 3.27Å; E172-A176 PolarHBondContact O-N 3.03Å; M173-A176 PolarHBondContact O-N 3.35Å; A176-C178 PolarHBondContact O-N 3.35Å; A176-T179 PolarHBondContact O-N 3.02Å; A176-N180 WeakPolarHBondContact O-CB 3.25Å; A176-N180 VanDerWaalsContact O-CG 3.24Å; A176-N180 PolarHBondContact O-N 3.01Å; A176-T247 HydrophobicContact CB-CG2 4.39Å
177V95.3Very high94.1Very high12 Ų1240.7 Ų40.77%0.07324%0.241CC..Hα-helixtrans-62.1-29.8176.5173.90000112.6M173 L175 V183 L245 T247 F266 V283M173-V177 PolarHBondContact O-N 3.44Å; L175-V177 PolarHBondContact O-N 3.07Å; V177-V183 HydrophobicContact CG1-CG1 4.08Å; V177-V183 HydrophobicContact CG2-CG1 4.26Å; V177-V183 WeakPolarHBondContact O-CG2 3.49Å; V177-L245 HydrophobicContact CG2-CD2 3.61Å; V177-T247 HydrophobicContact CG2-CG2 4.15Å; V177-F266 HydrophobicContact CB-CE2 4.5Å; V177-F266 HydrophobicContact CG1-CZ 4.43Å; V177-F266 HydrophobicContact CG2-CD2 4.35Å; V177-F266 HydrophobicContact CG2-CE2 3.68Å; V177-F266 HydrophobicContact CG2-CZ 4.09Å; V177-V283 HydrophobicContact CG1-CB 4.46Å; V177-V283 HydrophobicContact CG1-CG1 4.23Å; V177-V283 HydrophobicContact CG1-CG2 3.4Å
178C93.9Very high94.6Very high25 Ų2536.3 Ų36.317%0.16921%0.211CC..Hα-helixtrans-89.1-32.1-178.5-54.10000112.8L174 L175 A176 R209 C281L174-C178 PolarHBondContact O-SG 3.07Å; L175-C178 WeakPolarHBondContact O-CA 3.31Å; L175-C178 WeakPolarHBondContact O-CB 3.49Å; L175-C178 PolarHBondContact O-N 3.34Å; A176-C178 PolarHBondContact O-N 3.35Å; C178-R209 PolarHBondContact O-NH1 2.82Å; C178-C281 WeakPolarHBondContact CA-SG 3.29Å; C178-C281 HydrophobicContact CB-CB 3.77Å; C178-C281 WeakPolarHBondContact CB-SG 3.46Å; C178-C281 WeakPolarHBondContact SG-CB 3.49Å; C178-C281 PolarHBondContact SG-N 3.14Å; C178-C281 VanDerWaalsContact SG-N 3.37Å; C178-C281 CovalentContact SG-SG 2.02Å; C178-C281 PolarHBondContact SG-SG 3.36Å
179T93.6Very high94.8Very high78 Ų7839.5 Ų39.548%0.47922%0.221SC..Hα-helixtrans-106.1-24.7-168.458.30000114.5L175 A176L175-T179 HydrophobicContact CD1-CG2 3.78Å; L175-T179 HydrophobicContact CG-CG2 4.06Å; L175-T179 PolarHBondContact O-N 2.9Å; L175-T179 PolarHBondContact O-OG1 3.02Å; L175-T179 VanDerWaalsContact O-OG1 3.08Å; A176-T179 PolarHBondContact O-N 3.02Å
180N94.6Very high94.8Very high27 Ų2741 Ų4114%0.14423%0.228CC..SBendtrans-71.4155.8-172.2-7511.6000112.6A176 F182 R209 T247 G248A176-N180 WeakPolarHBondContact O-CB 3.25Å; A176-N180 VanDerWaalsContact O-CG 3.24Å; A176-N180 PolarHBondContact O-N 3.01Å; N180-F182 VanDerWaalsContact C-N 3.29Å; N180-F182 PolarHBondContact O-N 3.49Å; N180-R209 WeakPolarHBondContact O-CD 3.26Å; N180-R209 VanDerWaalsContact O-CZ 3.26Å; N180-R209 PolarHBondContact O-NE 2.88Å; N180-R209 PolarHBondContact O-NH2 2.88Å; N180-T247 PolarHBondContact ND2-OG1 2.95Å; N180-G248 WeakPolarHBondContact CB-O 3.23Å; N180-G248 PolarHBondContact ND2-N 2.86Å
181D94.3Very high94.7Very high26 Ų2638.6 Ų38.614%0.13922%0.217CC..SBendtrans-68.5-32.6-178-68.1-44.7000111.6Q210 K211 G248 T249 V250D181-Q210 CarbonylContact O-C 3.56Å; D181-Q210 WeakPolarHBondContact O-CA 3.44Å; D181-K211 HydrophobicContact CB-CB 4.1Å; D181-K211 HydrophobicContact CB-CD 4.41Å; D181-K211 PolarHBondContact O-N 2.83Å; D181-K211 WeakPolarHBondContact OD1-CD 3.47Å; D181-K211 IonicContact OD1-NZ 2.73Å; D181-G248 PolarHBondContact N-O 2.8Å; D181-T249 WeakPolarHBondContact OD2-CA 3.36Å; D181-V250 HydrophobicContact CB-CB 4.27Å; D181-V250 HydrophobicContact CB-CG2 3.92Å; D181-V250 PolarHBondContact OD2-N 2.95Å
182F96.4Very high94.5Very high0 Ų036.5 Ų36.50%020%0.202CC..EExtended strand (participates in β ladder)trans-132.6147.7171.672.2-93.8000112.6N180 R209 Q210 F215 I229 F246 T247 G248 V250 A255N180-F182 VanDerWaalsContact C-N 3.29Å; N180-F182 PolarHBondContact O-N 3.49Å; F182-R209 CarbonylContact C-O 3.53Å; F182-R209 VanDerWaalsContact CA-O 3.24Å; F182-R209 WeakPolarHBondContact CA-O 3.09Å; F182-Q210 HydrophobicContact CB-CB 4.42Å; F182-F215 HydrophobicContact CB-CE2 3.99Å; F182-F215 AromaticContact CD2-CE2 3.66Å; F182-F215 HydrophobicContact CD2-CE2 3.66Å; F182-F215 AromaticContact CD2-CZ 3.8Å; F182-F215 HydrophobicContact CD2-CZ 3.8Å; F182-F215 HydrophobicContact CE2-CE2 4.35Å; F182-F215 HydrophobicContact CE2-CZ 4.03Å; F182-F215 AromaticContact CG-CE2 3.91Å; F182-F215 HydrophobicContact CG-CE2 3.91Å; F182-F215 HydrophobicContact CG-CZ 4.32Å; F182-I229 HydrophobicContact CE2-CD1 4.08Å; F182-I229 HydrophobicContact CZ-CD1 4.35Å; F182-I229 HydrophobicContact CZ-CG2 4.15Å; F182-F246 HydrophobicContact CE2-CB 4.19Å; F182-T247 WeakPolarHBondContact O-CA 3.36Å; F182-G248 VanDerWaalsContact CD1-O 3.31Å; F182-G248 WeakPolarHBondContact CD1-O 3.01Å; F182-G248 VanDerWaalsContact CE1-CA 3.44Å; F182-G248 VanDerWaalsContact CZ-CA 3.48Å; F182-G248 PolarHBondContact N-O 2.87Å; F182-G248 VanDerWaalsContact N-O 3.12Å; F182-G248 PolarHBondContact O-N 2.91Å; F182-G248 VanDerWaalsContact O-N 3.15Å; F182-V250 HydrophobicContact CD1-CG2 4.03Å; F182-A255 HydrophobicContact CD1-CB 4.26Å; F182-A255 HydrophobicContact CE1-CB 3.73Å; F182-A255 HydrophobicContact CZ-CB 4.18Å
183V96.8Very high94.3Very high1 Ų137 Ų371%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-143.7120.5174.7-177.30000108.1V177 Y208 R209 L245 F246 T247V177-V183 HydrophobicContact CG1-CG1 4.08Å; V177-V183 HydrophobicContact CG2-CG1 4.26Å; V177-V183 WeakPolarHBondContact O-CG2 3.49Å; V183-Y208 HydrophobicContact CG1-CD2 3.84Å; V183-Y208 HydrophobicContact CG1-CG 4.22Å; V183-Y208 PolarHBondContact O-N 3.05Å; V183-R209 HydrophobicContact CB-CB 4.23Å; V183-R209 HydrophobicContact CG2-CB 4.39Å; V183-R209 PolarHBondContact N-O 3.17Å; V183-R209 PolarHBondContact O-N 3.28Å; V183-R209 VanDerWaalsContact O-N 3.1Å; V183-L245 HydrophobicContact CG1-CD1 3.92Å; V183-F246 CarbonylContact C-O 3.57Å; V183-F246 WeakPolarHBondContact CA-O 3.5Å; V183-T247 HydrophobicContact CG1-CG2 4.26Å; V183-T247 HydrophobicContact CG2-CG2 4.35Å
184A96.1Very high94Very high0 Ų040.9 Ų40.90%023%0.232CC..EExtended strand (participates in β ladder)trans-146.8141.7-172.600000111.4I204 H206 L207 F215 L245 F246A184-I204 HydrophobicContact CB-CD1 3.77Å; A184-I204 HydrophobicContact CB-CG1 4.22Å; A184-I204 HydrophobicContact CB-CG2 3.82Å; A184-H206 CarbonylContact C-O 3.53Å; A184-H206 WeakPolarHBondContact CA-O 3.2Å; A184-L207 HydrophobicContact CB-CD1 3.84Å; A184-F215 HydrophobicContact CB-CE2 4.23Å; A184-L245 CarbonylContact O-C 3.57Å; A184-F246 PolarHBondContact N-O 2.96Å; A184-F246 PolarHBondContact O-N 2.82Å
185R96Very high93.3Very high40 Ų4047.4 Ų47.415%0.15126%0.262CS..EExtended strand (participates in β ladder)trans-96133.8167.4175-170.9174.2174.10.7109.1I204 S205 H206 Y208 E243 F244 Y263 D286R185-I204 CarbonylContact O-C 3.48Å; R185-I204 WeakPolarHBondContact O-CA 3.5Å; R185-I204 WeakPolarHBondContact O-CG2 3.46Å; R185-S205 PolarHBondContact O-N 3.25Å; R185-S205 PolarHBondContact O-OG 2.86Å; R185-H206 HydrophobicContact CB-CB 4.14Å; R185-H206 PolarHBondContact N-O 2.98Å; R185-H206 PolarHBondContact O-N 2.76Å; R185-Y208 HydrophobicContact CB-CE2 3.95Å; R185-E243 IonicContact CZ-OE1 2.83Å; R185-E243 IonicContact CZ-OE2 3.1Å; R185-E243 VanDerWaalsContact NE-CD 3.34Å; R185-E243 IonicContact NE-OE1 2.87Å; R185-E243 PolarHBondContact NE-OE1 3.03Å; R185-E243 IonicContact NE-OE2 2.66Å; R185-E243 PolarHBondContact NE-OE2 3.26Å; R185-E243 IonicContact NH2-OE1 2.73Å; R185-E243 PolarHBondContact NH2-OE1 2.99Å; R185-E243 IonicContact NH2-OE2 3.16Å; R185-E243 PolarHBondContact NH2-OE2 2.9Å; R185-F244 WeakPolarHBondContact CA-O 3.3Å; R185-Y263 HydrophobicContact CB-CD2 4.33Å; R185-Y263 HydrophobicContact CB-CE2 4.37Å; R185-Y263 HydrophobicContact CG-CD1 4.3Å; R185-Y263 HydrophobicContact CG-CD2 4.02Å; R185-Y263 HydrophobicContact CG-CE2 4.27Å; R185-Y263 HydrophobicContact CG-CG 4.05Å; R185-Y263 VanDerWaalsContact NH1-CE1 3.29Å; R185-D286 IonicContact CZ-OD2 2.7Å; R185-D286 IonicContact NH1-OD2 3.46Å; R185-D286 PolarHBondContact NH1-OD2 2.78Å
186G95.4Very high92.7Very high0 Ų048.2 Ų48.20%027%0.267CS..EExtended strand (participates in β ladder)trans-174.4-165.9178.700000114.6E203 E243 F244G186-E203 CarbonylContact C-O 3.59Å; G186-E203 WeakPolarHBondContact CA-O 3.27Å; G186-E243 WeakPolarHBondContact O-CA 3.4Å; G186-F244 PolarHBondContact N-O 2.86Å; G186-F244 PolarHBondContact O-N 3.2Å
187T95.6Very high92.4Very high37 Ų3748.8 Ų48.823%0.22727%0.268CS..EExtended strand (participates in β ladder)trans-124.8147.8-179.461.50000110.8K189 V202 E203 E243T187-K189 WeakPolarHBondContact OG1-CE 3.05Å; T187-K189 PolarHBondContact OG1-NZ 2.87Å; T187-V202 VanDerWaalsContact O-CA 3.31Å; T187-V202 WeakPolarHBondContact O-CA 3.44Å; T187-E203 PolarHBondContact N-O 3.36Å; T187-E203 PolarHBondContact O-N 3.3Å; T187-E243 HydrophobicContact CG2-CG 4.15Å
188I95.3Very high92.2Very high21 Ų2148.8 Ų48.811%0.10827%0.27CS..EExtended strand (participates in β ladder)trans-81.4125172.7-59.8175.7000108.1V191 V200 V237 F244 F246I188-V191 HydrophobicContact CG2-CG2 3.71Å; I188-V200 HydrophobicContact CD1-CG1 4.4Å; I188-V200 HydrophobicContact CG1-CG1 4.15Å; I188-V200 HydrophobicContact CG2-CG1 3.85Å; I188-V237 HydrophobicContact CD1-CG1 4.26Å; I188-F244 HydrophobicContact CD1-CD2 4.41Å; I188-F244 HydrophobicContact CD1-CE2 4.25Å; I188-F244 HydrophobicContact CG1-CD2 4.29Å; I188-F244 HydrophobicContact CG1-CE2 4.39Å; I188-F246 HydrophobicContact CD1-CE1 4.44Å; I188-F246 HydrophobicContact CG1-CE1 4.01Å; I188-F246 HydrophobicContact CG1-CZ 3.77Å
189K93.9Very high92.2Very high100 Ų10048.4 Ų48.444%0.43527%0.267SS..EExtended strand (participates in β ladder)trans-94.3-58.5176.2-62.5-58.1-177.9-175.90111T187 S201 E203 S239T187-K189 WeakPolarHBondContact OG1-CE 3.05Å; T187-K189 PolarHBondContact OG1-NZ 2.87Å; K189-S201 PolarHBondContact N-O 3.26Å; K189-E203 HydrophobicContact CD-CB 4.36Å; K189-E203 WeakPolarHBondContact CE-OE2 3.45Å; K189-E203 HydrophobicContact CG-CB 4.14Å; K189-E203 IonicContact NZ-OE2 2.78Å; K189-E203 PolarHBondContact NZ-OE2 3.08Å; K189-S239 PolarHBondContact O-OG 3.11Å
190T93.1Very high92.3Very high87 Ų8744.7 Ų44.753%0.53424%0.244SC..EExtended strand (participates in β ladder)trans-138148.6-176.857.50000110.1S201T190-S201 PolarHBondContact N-O 3.33Å; T190-S201 PolarHBondContact O-N 3.25Å; T190-S201 WeakPolarHBondContact OG1-CB 3.47Å
191V93.1Very high92.3Very high43 Ų4344.8 Ų44.826%0.26125%0.248SC..EExtended strand (participates in β ladder)trans-127121172.1-176.50000106.9I188 A198 S199 V200 V237I188-V191 HydrophobicContact CG2-CG2 3.71Å; V191-A198 HydrophobicContact CG1-CB 4.47Å; V191-S199 WeakPolarHBondContact CA-O 3.36Å; V191-V200 HydrophobicContact CG1-CG2 4.28Å; V191-V200 HydrophobicContact CG2-CG1 4.2Å; V191-V200 HydrophobicContact CG2-CG2 4.34Å; V191-V237 HydrophobicContact CG2-CG1 4.23Å
192G90Very high92.4Very high30 Ų3043.6 Ų43.631%0.30924%0.241SC..EExtended strand (participates in β ladder)trans-122133.8178.800000110.5S199G192-S199 PolarHBondContact N-O 2.81Å; G192-S199 PolarHBondContact O-N 3.31Å
193P89.1Confident92.3Very high113 Ų11346.8 Ų46.873%0.73426%0.256SS*.EExtended strand (participates in β ladder)trans-70.4134.5168.730.6-32.3000109.8L233P193-L233 HydrophobicContact CB-CD2 4.15Å
194E86.4Confident92.3Very high94 Ų9446.7 Ų46.744%0.43926%0.256SS..  trans-109.5-179.2161.5-61-171.2-162.800109D196 H197 S199E194-D196 PolarHBondContact O-N 2.92Å; E194-H197 CarbonylContact C-O 3.54Å; E194-H197 VanDerWaalsContact CA-O 3.31Å; E194-H197 WeakPolarHBondContact CA-O 3.02Å; E194-H197 VanDerWaalsContact CB-O 3.31Å; E194-H197 WeakPolarHBondContact CB-O 3.33Å; E194-H197 PolarHBondContact N-O 2.73Å; E194-H197 IonicContact OE2-CE1 3.94Å; E194-H197 PolarHBondContact OE2-CE1 2.86Å; E194-H197 IonicContact OE2-NE2 3.37Å; E194-H197 PolarHBondContact OE2-NE2 2.92Å; E194-H197 VanDerWaalsContact OE2-NE2 3.16Å; E194-S199 VanDerWaalsContact OE1-CB 3.24Å; E194-S199 WeakPolarHBondContact OE1-CB 3.4Å; E194-S199 PolarHBondContact OE1-OG 2.86Å
195E81.8Confident92.2Very high163 Ų16349.4 Ų49.476%0.76228%0.275SS*.SBendtrans-56.4-49.4-172.5-167.3175.4176.400112.9
196D82.9Confident92.1Very high109 Ų10950.7 Ų50.758%0.58328%0.282SS*.SBendtrans-113.4-8.3-174.6-66.8-34.6000114.1E194E194-D196 PolarHBondContact O-N 2.92Å
197H87.6Confident92Very high18 Ų1852.3 Ų52.38%0.08329%0.291CS..EExtended strand (participates in β ladder)trans-153.7159.8-172.461.9-72.7000111.5E194 K230 M231 L233 W256E194-H197 CarbonylContact C-O 3.54Å; E194-H197 VanDerWaalsContact CA-O 3.31Å; E194-H197 WeakPolarHBondContact CA-O 3.02Å; E194-H197 VanDerWaalsContact CB-O 3.31Å; E194-H197 WeakPolarHBondContact CB-O 3.33Å; E194-H197 PolarHBondContact N-O 2.73Å; E194-H197 IonicContact OE2-CE1 3.94Å; E194-H197 PolarHBondContact OE2-CE1 2.86Å; E194-H197 IonicContact OE2-NE2 3.37Å; E194-H197 PolarHBondContact OE2-NE2 2.92Å; E194-H197 VanDerWaalsContact OE2-NE2 3.16Å; H197-K230 VanDerWaalsContact CD2-CG 3.48Å; H197-K230 WeakPolarHBondContact CD2-CG 3.04Å; H197-K230 WeakPolarHBondContact NE2-CD 3.12Å; H197-K230 WeakPolarHBondContact NE2-CE 3.48Å; H197-K230 PolarHBondContact NE2-NZ 3.43Å; H197-M231 CarbonylContact C-O 3.58Å; H197-M231 WeakPolarHBondContact CA-O 3.36Å; H197-M231 WeakPolarHBondContact CB-O 3.1Å; H197-L233 VanDerWaalsContact C-CD2 3.47Å; H197-W256 HydrophobicContact CB-CH2 4.23Å; H197-W256 HydrophobicContact CB-CZ3 4.45Å
198A90.8Very high91.9Very high12 Ų1252.9 Ų52.910%0.09929%0.289CS..EExtended strand (participates in β ladder)trans-87.4137.1166.200000109.7V191 K230 M231 L233V191-A198 HydrophobicContact CG1-CB 4.47Å; A198-K230 WeakPolarHBondContact O-CA 3.46Å; A198-M231 PolarHBondContact N-O 2.66Å; A198-M231 PolarHBondContact O-N 2.87Å; A198-L233 HydrophobicContact CB-CD2 4.27Å
199S94.2Very high91.8Very high17 Ų1756.9 Ų56.912%0.11930%0.303CS..EExtended strand (participates in β ladder)trans-101.1114173.8-162.70000108.8V191 G192 E194V191-S199 WeakPolarHBondContact CA-O 3.36Å; G192-S199 PolarHBondContact N-O 2.81Å; G192-S199 PolarHBondContact O-N 3.31Å; E194-S199 VanDerWaalsContact OE1-CB 3.24Å; E194-S199 WeakPolarHBondContact OE1-CB 3.4Å; E194-S199 PolarHBondContact OE1-OG 2.86Å
200V94.8Very high91.7Very high0 Ų054.4 Ų54.40%029%0.293CS..EExtended strand (participates in β ladder)trans-103.9106.7-179-176.60000108.5I188 V191 V202 N228 I229 V237 M257I188-V200 HydrophobicContact CD1-CG1 4.4Å; I188-V200 HydrophobicContact CG1-CG1 4.15Å; I188-V200 HydrophobicContact CG2-CG1 3.85Å; V191-V200 HydrophobicContact CG1-CG2 4.28Å; V191-V200 HydrophobicContact CG2-CG1 4.2Å; V191-V200 HydrophobicContact CG2-CG2 4.34Å; V200-V202 HydrophobicContact CG1-CG1 3.96Å; V200-N228 WeakPolarHBondContact O-CA 3.16Å; V200-I229 WeakPolarHBondContact CB-O 3.46Å; V200-I229 PolarHBondContact N-O 2.87Å; V200-I229 PolarHBondContact O-N 3.05Å; V200-V237 HydrophobicContact CG2-CG1 4.49Å; V200-M257 HydrophobicContact CB-CE 4.47Å; V200-M257 HydrophobicContact CG1-CE 4.46Å; V200-M257 HydrophobicContact CG2-CE 4.38Å
201S95.3Very high91.5Very high30 Ų3055.7 Ų55.721%0.2129%0.291CS..EExtended strand (participates in β ladder)trans-80.6127.9175-1630000110K189 T190 N228K189-S201 PolarHBondContact N-O 3.26Å; T190-S201 PolarHBondContact N-O 3.33Å; T190-S201 PolarHBondContact O-N 3.25Å; T190-S201 WeakPolarHBondContact OG1-CB 3.47Å; S201-N228 PolarHBondContact OG-OD1 3.09Å
202V95.5Very high91.1Very high1 Ų156 Ų561%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-124.5146.4-175-62.30000111.4T187 V200 I204 F215 T226 G227 I229 F246T187-V202 VanDerWaalsContact O-CA 3.31Å; T187-V202 WeakPolarHBondContact O-CA 3.44Å; V200-V202 HydrophobicContact CG1-CG1 3.96Å; V202-I204 HydrophobicContact CB-CD1 4.09Å; V202-I204 HydrophobicContact CG2-CD1 3.65Å; V202-I204 HydrophobicContact CG2-CG1 4.15Å; V202-F215 HydrophobicContact CG2-CD1 4.33Å; V202-F215 HydrophobicContact CG2-CE1 3.76Å; V202-T226 WeakPolarHBondContact O-CA 3.28Å; V202-G227 WeakPolarHBondContact CG2-O 3.41Å; V202-G227 PolarHBondContact N-O 3.23Å; V202-G227 PolarHBondContact O-N 3.03Å; V202-I229 HydrophobicContact CG1-CD1 4.08Å; V202-I229 HydrophobicContact CG2-CD1 3.98Å; V202-I229 HydrophobicContact CG2-CG1 4.12Å; V202-F246 HydrophobicContact CB-CE2 4.1Å; V202-F246 HydrophobicContact CB-CZ 4.34Å; V202-F246 HydrophobicContact CG1-CD2 4.43Å; V202-F246 HydrophobicContact CG1-CE1 4.04Å; V202-F246 HydrophobicContact CG1-CE2 3.84Å; V202-F246 HydrophobicContact CG1-CZ 3.62Å
203E95.3Very high91.1Very high66 Ų6662.5 Ų62.531%0.30832%0.315SS..EExtended strand (participates in β ladder)trans-107.5120.5163.3-176.5178-154.200108.5G186 T187 K189 S224G186-E203 CarbonylContact C-O 3.59Å; G186-E203 WeakPolarHBondContact CA-O 3.27Å; T187-E203 PolarHBondContact N-O 3.36Å; T187-E203 PolarHBondContact O-N 3.3Å; K189-E203 HydrophobicContact CD-CB 4.36Å; K189-E203 WeakPolarHBondContact CE-OE2 3.45Å; K189-E203 HydrophobicContact CG-CB 4.14Å; K189-E203 IonicContact NZ-OE2 2.78Å; K189-E203 PolarHBondContact NZ-OE2 3.08Å; E203-S224 PolarHBondContact OE1-OG 3Å
204I95.6Very high91.3Very high0 Ų058.1 Ų58.10%029%0.286CS..EExtended strand (participates in β ladder)trans-96.2121.6-176.7-56.8-51.3000108.8A184 R185 V202 H206 L207 F215 S224 W225 F246A184-I204 HydrophobicContact CB-CD1 3.77Å; A184-I204 HydrophobicContact CB-CG1 4.22Å; A184-I204 HydrophobicContact CB-CG2 3.82Å; R185-I204 CarbonylContact O-C 3.48Å; R185-I204 WeakPolarHBondContact O-CA 3.5Å; R185-I204 WeakPolarHBondContact O-CG2 3.46Å; V202-I204 HydrophobicContact CB-CD1 4.09Å; V202-I204 HydrophobicContact CG2-CD1 3.65Å; V202-I204 HydrophobicContact CG2-CG1 4.15Å; I204-H206 WeakPolarHBondContact CG2-O 3.38Å; I204-L207 HydrophobicContact CG2-CB 4.31Å; I204-F215 HydrophobicContact CD1-CE1 4.3Å; I204-F215 HydrophobicContact CG1-CD1 3.89Å; I204-F215 HydrophobicContact CG1-CE1 4.17Å; I204-F215 HydrophobicContact CG1-CG 4.21Å; I204-S224 VanDerWaalsContact O-CA 3.27Å; I204-S224 WeakPolarHBondContact O-CA 3.5Å; I204-S224 WeakPolarHBondContact O-CB 3.38Å; I204-W225 HydrophobicContact CB-CB 4.01Å; I204-W225 HydrophobicContact CB-CE3 4.48Å; I204-W225 HydrophobicContact CG2-CE3 4.08Å; I204-W225 PolarHBondContact N-O 3.26Å; I204-W225 PolarHBondContact O-N 2.93Å; I204-F246 HydrophobicContact CD1-CD2 3.82Å; I204-F246 HydrophobicContact CD1-CE2 4.17Å
205S93.8Very high91.7Very high57 Ų5753.8 Ų53.840%0.39927%0.266SS..EExtended strand (participates in β ladder)trans-88-31.2174.752.90000112R185 E243R185-S205 PolarHBondContact O-N 3.25Å; R185-S205 PolarHBondContact O-OG 2.86Å; S205-E243 PolarHBondContact OG-OE1 2.79Å
206H93.9Very high92.2Very high66 Ų6650.6 Ų50.631%0.30626%0.257SS..EExtended strand (participates in β ladder)trans-144.3133.3177.6-169.7-99.4000111.6A184 R185 I204 Y208A184-H206 CarbonylContact C-O 3.53Å; A184-H206 WeakPolarHBondContact CA-O 3.2Å; R185-H206 HydrophobicContact CB-CB 4.14Å; R185-H206 PolarHBondContact N-O 2.98Å; R185-H206 PolarHBondContact O-N 2.76Å; I204-H206 WeakPolarHBondContact CG2-O 3.38Å; H206-Y208 AromaticContact CE1-CD1 3.49Å; H206-Y208 VanDerWaalsContact CE1-CD1 3.49Å; H206-Y208 WeakPolarHBondContact CE1-CD1 3.38Å; H206-Y208 AromaticContact CE1-CE1 3.39Å; H206-Y208 WeakPolarHBondContact CE1-CE1 3.09Å; H206-Y208 AromaticContact CE1-CZ 3.93Å; H206-Y208 AromaticContact ND1-CD1 3.46Å; H206-Y208 WeakPolarHBondContact ND1-CD1 3.38Å; H206-Y208 AromaticContact ND1-CD2 3.82Å; H206-Y208 AromaticContact ND1-CE1 3.16Å; H206-Y208 WeakPolarHBondContact ND1-CE1 3.33Å; H206-Y208 AromaticContact ND1-CE2 3.56Å; H206-Y208 AromaticContact ND1-CG 3.77Å; H206-Y208 AromaticContact ND1-CZ 3.21Å
207L93.6Very high92.4Very high35 Ų3548.2 Ų48.218%0.18325%0.249CC..EExtended strand (participates in β ladder)trans-114.7107.1-179.2-175.972000110A184 I204 Q210 F215 W225A184-L207 HydrophobicContact CB-CD1 3.84Å; I204-L207 HydrophobicContact CG2-CB 4.31Å; L207-Q210 HydrophobicContact CD1-CB 4.32Å; L207-Q210 HydrophobicContact CD2-CB 4.29Å; L207-Q210 VanDerWaalsContact CD2-CD 3.47Å; L207-Q210 HydrophobicContact CD2-CG 3.78Å; L207-F215 HydrophobicContact CD1-CD2 3.79Å; L207-F215 HydrophobicContact CD1-CE2 4.33Å; L207-W225 HydrophobicContact CB-CD2 4.44Å; L207-W225 HydrophobicContact CB-CE3 4.43Å
208Y93.6Very high92.1Very high49 Ų4949.7 Ų49.719%0.19227%0.269CS..EExtended strand (participates in β ladder)trans-79.1-37.8179-57.2-85.6000111.7V183 R185 H206 L245 Y263 V283 E284V183-Y208 HydrophobicContact CG1-CD2 3.84Å; V183-Y208 HydrophobicContact CG1-CG 4.22Å; V183-Y208 PolarHBondContact O-N 3.05Å; R185-Y208 HydrophobicContact CB-CE2 3.95Å; H206-Y208 AromaticContact CE1-CD1 3.49Å; H206-Y208 VanDerWaalsContact CE1-CD1 3.49Å; H206-Y208 WeakPolarHBondContact CE1-CD1 3.38Å; H206-Y208 AromaticContact CE1-CE1 3.39Å; H206-Y208 WeakPolarHBondContact CE1-CE1 3.09Å; H206-Y208 AromaticContact CE1-CZ 3.93Å; H206-Y208 AromaticContact ND1-CD1 3.46Å; H206-Y208 WeakPolarHBondContact ND1-CD1 3.38Å; H206-Y208 AromaticContact ND1-CD2 3.82Å; H206-Y208 AromaticContact ND1-CE1 3.16Å; H206-Y208 WeakPolarHBondContact ND1-CE1 3.33Å; H206-Y208 AromaticContact ND1-CE2 3.56Å; H206-Y208 AromaticContact ND1-CG 3.77Å; H206-Y208 AromaticContact ND1-CZ 3.21Å; Y208-L245 HydrophobicContact CD2-CD1 4.29Å; Y208-L245 HydrophobicContact CE2-CD1 3.94Å; Y208-Y263 VanDerWaalsContact OH-CE2 3.3Å; Y208-Y263 WeakPolarHBondContact OH-CE2 3.13Å; Y208-Y263 PolarHBondContact OH-OH 2.84Å; Y208-V283 HydrophobicContact CD1-CG1 3.76Å; Y208-V283 HydrophobicContact CE1-CG1 3.99Å; Y208-V283 HydrophobicContact CG-CG1 4.47Å; Y208-E284 VanDerWaalsContact CE1-O 3.31Å; Y208-E284 WeakPolarHBondContact CE1-O 3.35Å
209R92.9Very high91.5Very high104 Ų10450.8 Ų50.839%0.39228%0.282SS..EExtended strand (participates in β ladder)trans-155.8139.3-177-179.9173173166.3-11.5111.1C178 N180 F182 V183C178-R209 PolarHBondContact O-NH1 2.82Å; N180-R209 WeakPolarHBondContact O-CD 3.26Å; N180-R209 VanDerWaalsContact O-CZ 3.26Å; N180-R209 PolarHBondContact O-NE 2.88Å; N180-R209 PolarHBondContact O-NH2 2.88Å; F182-R209 CarbonylContact C-O 3.53Å; F182-R209 VanDerWaalsContact CA-O 3.24Å; F182-R209 WeakPolarHBondContact CA-O 3.09Å; V183-R209 HydrophobicContact CB-CB 4.23Å; V183-R209 HydrophobicContact CG2-CB 4.39Å; V183-R209 PolarHBondContact N-O 3.17Å; V183-R209 PolarHBondContact O-N 3.28Å; V183-R209 VanDerWaalsContact O-N 3.1Å
210Q92.6Very high90.3Very high48 Ų4857.4 Ų57.422%0.22432%0.321CS..EExtended strand (participates in β ladder)trans-147.3124.4157.869.3-178-31.800109.7D181 F182 L207 T212D181-Q210 CarbonylContact O-C 3.56Å; D181-Q210 WeakPolarHBondContact O-CA 3.44Å; F182-Q210 HydrophobicContact CB-CB 4.42Å; L207-Q210 HydrophobicContact CD1-CB 4.32Å; L207-Q210 HydrophobicContact CD2-CB 4.29Å; L207-Q210 VanDerWaalsContact CD2-CD 3.47Å; L207-Q210 HydrophobicContact CD2-CG 3.78Å; Q210-T212 VanDerWaalsContact C-N 3.34Å; Q210-T212 PolarHBondContact OE1-O 2.97Å
211K88.8Confident89Confident114 Ų11469.2 Ų69.250%0.49637%0.366SS..SBendtrans-70.8-33.9177.4-174.9-179.1177.8-170.20112.1D181D181-K211 HydrophobicContact CB-CB 4.1Å; D181-K211 HydrophobicContact CB-CD 4.41Å; D181-K211 PolarHBondContact O-N 2.83Å; D181-K211 WeakPolarHBondContact OD1-CD 3.47Å; D181-K211 IonicContact OD1-NZ 2.73Å
212T85.1Confident87.9Confident49 Ų4971 Ų7130%0.30138%0.375SS..SBendtrans-134.3156.1177.753.30000109Q210 V214 V250Q210-T212 VanDerWaalsContact C-N 3.34Å; Q210-T212 PolarHBondContact OE1-O 2.97Å; T212-V214 VanDerWaalsContact C-N 3.25Å; T212-V214 PolarHBondContact O-N 3.05Å; T212-V250 WeakPolarHBondContact OG1-CG1 3.36Å
213H89.5Confident87.2Confident168 Ų16882 Ų8278%0.77842%0.416SS*.  trans-72.871.9-177.7-64.9-75.5000112.9
214V93.5Very high86.9Confident21 Ų2179.5 Ų79.513%0.12741%0.406CS..  trans-88.1-19.6173.7-66.30000112.4T212 V250 A255T212-V214 VanDerWaalsContact C-N 3.25Å; T212-V214 PolarHBondContact O-N 3.05Å; V214-V250 HydrophobicContact CG1-CB 4.43Å; V214-V250 HydrophobicContact CG1-CG1 3.79Å; V214-V250 HydrophobicContact CG1-CG2 3.74Å; V214-V250 HydrophobicContact CG2-CG2 4.24Å; V214-A255 HydrophobicContact CB-CB 4.07Å; V214-A255 HydrophobicContact CG1-CB 4.28Å; V214-A255 HydrophobicContact CG2-CB 4.14Å
215F94.4Very high86.8Confident2 Ų282.6 Ų82.61%0.00942%0.418CS..SBendtrans-112.9127.9171.9-54.8-66.8000110.1F182 A184 V202 I204 L207 W225 T226 I229F182-F215 HydrophobicContact CB-CE2 3.99Å; F182-F215 AromaticContact CD2-CE2 3.66Å; F182-F215 HydrophobicContact CD2-CE2 3.66Å; F182-F215 AromaticContact CD2-CZ 3.8Å; F182-F215 HydrophobicContact CD2-CZ 3.8Å; F182-F215 HydrophobicContact CE2-CE2 4.35Å; F182-F215 HydrophobicContact CE2-CZ 4.03Å; F182-F215 AromaticContact CG-CE2 3.91Å; F182-F215 HydrophobicContact CG-CE2 3.91Å; F182-F215 HydrophobicContact CG-CZ 4.32Å; A184-F215 HydrophobicContact CB-CE2 4.23Å; V202-F215 HydrophobicContact CG2-CD1 4.33Å; V202-F215 HydrophobicContact CG2-CE1 3.76Å; I204-F215 HydrophobicContact CD1-CE1 4.3Å; I204-F215 HydrophobicContact CG1-CD1 3.89Å; I204-F215 HydrophobicContact CG1-CE1 4.17Å; I204-F215 HydrophobicContact CG1-CG 4.21Å; L207-F215 HydrophobicContact CD1-CD2 3.79Å; L207-F215 HydrophobicContact CD1-CE2 4.33Å; F215-W225 HydrophobicContact CB-CB 3.9Å; F215-T226 WeakPolarHBondContact CA-O 3.47Å; F215-I229 HydrophobicContact CE1-CD1 4.15Å; F215-I229 HydrophobicContact CE1-CG1 4.01Å; F215-I229 HydrophobicContact CZ-CD1 4Å; F215-I229 HydrophobicContact CZ-CG1 4.12Å
216V91.9Very high86.8Confident96 Ų9683.4 Ų83.458%0.58242%0.421SS*.EExtended strand (participates in β ladder)trans-104.2131.9-175.8-175.10000109.3W225 T226V216-W225 CarbonylContact O-C 3.52Å; V216-W225 WeakPolarHBondContact O-CA 3.22Å; V216-W225 WeakPolarHBondContact O-CB 3.47Å; V216-T226 PolarHBondContact N-O 3.23Å; V216-T226 PolarHBondContact O-N 2.86Å
217S88.8Confident86.9Confident60 Ų6080.9 Ų80.942%0.4241%0.412SS..EExtended strand (participates in β ladder)trans-70.2138177.5174.60000110.7G219S217-G219 PolarHBondContact O-N 2.95Å; S217-G219 PolarHBondContact OG-N 2.78Å
218G80.7Confident87Confident48 Ų4883.5 Ų83.550%0.49543%0.426SS..  trans-67.25.1171.900000114.9S224G218-S224 PolarHBondContact N-O 2.62Å
219G77.8Confident87.1Confident36 Ų3681.2 Ų81.237%0.37142%0.418SS..  trans93.2-175.4177.400000113.7S217 R221 V222S217-G219 PolarHBondContact O-N 2.95Å; S217-G219 PolarHBondContact OG-N 2.78Å; G219-R221 PolarHBondContact O-N 2.03Å; G219-V222 CarbonylContact O-C 3.6Å; G219-V222 PolarHBondContact O-N 2.81Å; G219-V222 VanDerWaalsContact O-N 3.11Å
220V69.4Low87.1Confident156 Ų15677.7 Ų77.795%0.94541%0.405SS*.THydrogen-bonded Turntrans-59.7-25.4-169.1-174.40000113.6
221R68.1Low86.9Confident248 Ų24876.5 Ų76.594%0.93640%0.4SS*.THydrogen-bonded Turntrans-92.1-16.8-177-62.3-175-173.8-176.72.1113.9G219G219-R221 PolarHBondContact O-N 2.03Å
222V71.4Confident86.9Confident68 Ų6872.8 Ų72.841%0.41239%0.388SS..  trans-124.7107.8-174.8179.80000108.1G219 S224G219-V222 CarbonylContact O-C 3.6Å; G219-V222 PolarHBondContact O-N 2.81Å; G219-V222 VanDerWaalsContact O-N 3.11Å; V222-S224 WeakPolarHBondContact CG1-OG 3.37Å; V222-S224 PolarHBondContact O-N 2.77Å
223R80Confident86.8Confident230 Ų23074.2 Ų74.287%0.86839%0.393SS*.  trans-78.830177-68.6-172.5175.6-174.5-1.3112.9W225R223-W225 WeakPolarHBondContact O-CZ3 3.09Å
224S89.2Confident86.6Confident14 Ų1472.8 Ų72.810%0.09839%0.387CS..  trans-117.1151.6173.2670000110.5E203 I204 G218 V222E203-S224 PolarHBondContact OE1-OG 3Å; I204-S224 VanDerWaalsContact O-CA 3.27Å; I204-S224 WeakPolarHBondContact O-CA 3.5Å; I204-S224 WeakPolarHBondContact O-CB 3.38Å; G218-S224 PolarHBondContact N-O 2.62Å; V222-S224 WeakPolarHBondContact CG1-OG 3.37Å; V222-S224 PolarHBondContact O-N 2.77Å
225W93.9Very high86.1Confident66 Ų6673.1 Ų73.125%0.2539%0.389CS..EExtended strand (participates in β ladder)trans-108.2149.8171.4-54.5-111.5000109.1I204 L207 F215 V216 R223I204-W225 HydrophobicContact CB-CB 4.01Å; I204-W225 HydrophobicContact CB-CE3 4.48Å; I204-W225 HydrophobicContact CG2-CE3 4.08Å; I204-W225 PolarHBondContact N-O 3.26Å; I204-W225 PolarHBondContact O-N 2.93Å; L207-W225 HydrophobicContact CB-CD2 4.44Å; L207-W225 HydrophobicContact CB-CE3 4.43Å; F215-W225 HydrophobicContact CB-CB 3.9Å; V216-W225 CarbonylContact O-C 3.52Å; V216-W225 WeakPolarHBondContact O-CA 3.22Å; V216-W225 WeakPolarHBondContact O-CB 3.47Å; R223-W225 WeakPolarHBondContact O-CZ3 3.09Å
226T94.8Very high85.3Confident74 Ų7475.5 Ų75.545%0.45442%0.415SS..EExtended strand (participates in β ladder)trans-121.9152.517357.50000109.7V202 F215 V216V202-T226 WeakPolarHBondContact O-CA 3.28Å; F215-T226 WeakPolarHBondContact CA-O 3.47Å; V216-T226 PolarHBondContact N-O 3.23Å; V216-T226 PolarHBondContact O-N 2.86Å
227G94.9Very high84.8Confident12 Ų1273 Ų7312%0.12440%0.4CS..EExtended strand (participates in β ladder)trans-176.8176.2175.800000111.5V202V202-G227 WeakPolarHBondContact CG2-O 3.41Å; V202-G227 PolarHBondContact N-O 3.23Å; V202-G227 PolarHBondContact O-N 3.03Å
228N95.5Very high84.4Confident90 Ų9078.5 Ų78.548%0.48142%0.416SS..EExtended strand (participates in β ladder)trans-117.8133.4179.4-62.4-29.5000109.2V200 S201V200-N228 WeakPolarHBondContact O-CA 3.16Å; S201-N228 PolarHBondContact OG-OD1 3.09Å
229I95.3Very high84.5Confident1 Ų179.3 Ų79.31%0.00541%0.414CS..EExtended strand (participates in β ladder)trans-113126.5176-53.4178000107.9F182 V200 V202 F215 F246 A255 M257F182-I229 HydrophobicContact CE2-CD1 4.08Å; F182-I229 HydrophobicContact CZ-CD1 4.35Å; F182-I229 HydrophobicContact CZ-CG2 4.15Å; V200-I229 WeakPolarHBondContact CB-O 3.46Å; V200-I229 PolarHBondContact N-O 2.87Å; V200-I229 PolarHBondContact O-N 3.05Å; V202-I229 HydrophobicContact CG1-CD1 4.08Å; V202-I229 HydrophobicContact CG2-CD1 3.98Å; V202-I229 HydrophobicContact CG2-CG1 4.12Å; F215-I229 HydrophobicContact CE1-CD1 4.15Å; F215-I229 HydrophobicContact CE1-CG1 4.01Å; F215-I229 HydrophobicContact CZ-CD1 4Å; F215-I229 HydrophobicContact CZ-CG1 4.12Å; I229-F246 HydrophobicContact CD1-CB 3.84Å; I229-F246 HydrophobicContact CD1-CD1 4.01Å; I229-F246 HydrophobicContact CD1-CD2 4.48Å; I229-F246 HydrophobicContact CD1-CG 3.86Å; I229-A255 HydrophobicContact CG1-CB 4.45Å; I229-M257 HydrophobicContact CB-CE 4.23Å; I229-M257 HydrophobicContact CD1-CE 4.47Å; I229-M257 HydrophobicContact CG2-CB 3.69Å; I229-M257 HydrophobicContact CG2-CE 3.85Å; I229-M257 HydrophobicContact CG2-CG 4.41Å
230K93Very high84.3Confident31 Ų3179.4 Ų79.414%0.13542%0.415CS..EExtended strand (participates in β ladder)trans-82.4141.6176.8-60.1-169.6171.4-1650110.7H197 A198 E254 A255 W256 M257H197-K230 VanDerWaalsContact CD2-CG 3.48Å; H197-K230 WeakPolarHBondContact CD2-CG 3.04Å; H197-K230 WeakPolarHBondContact NE2-CD 3.12Å; H197-K230 WeakPolarHBondContact NE2-CE 3.48Å; H197-K230 PolarHBondContact NE2-NZ 3.43Å; A198-K230 WeakPolarHBondContact O-CA 3.46Å; K230-E254 HydrophobicContact CD-CB 4.13Å; K230-E254 VanDerWaalsContact CE-CD 3.46Å; K230-E254 IonicContact NZ-OE1 3.72Å; K230-E254 PolarHBondContact NZ-OE1 3.42Å; K230-E254 IonicContact NZ-OE2 3.02Å; K230-E254 PolarHBondContact NZ-OE2 3.27Å; K230-A255 WeakPolarHBondContact CB-O 3.2Å; K230-A255 PolarHBondContact N-O 3.46Å; K230-W256 HydrophobicContact CB-CD2 3.83Å; K230-W256 HydrophobicContact CB-CE3 3.88Å; K230-W256 HydrophobicContact CB-CG 4.34Å; K230-W256 HydrophobicContact CB-CH2 4.31Å; K230-W256 HydrophobicContact CB-CZ2 4.25Å; K230-W256 HydrophobicContact CB-CZ3 4.13Å; K230-W256 HydrophobicContact CD-CH2 4.43Å; K230-W256 HydrophobicContact CD-CZ2 3.82Å; K230-W256 WeakPolarHBondContact O-CA 3.26Å; K230-M257 PolarHBondContact O-N 2.87Å
231M89.2Confident85Confident22 Ų2280.6 Ų80.611%0.10841%0.41CS..EExtended strand (participates in β ladder)trans-144.1149.2175.1-168.3175.3-160.900110.9H197 A198 L233 C235 V237 M257H197-M231 CarbonylContact C-O 3.58Å; H197-M231 WeakPolarHBondContact CA-O 3.36Å; H197-M231 WeakPolarHBondContact CB-O 3.1Å; A198-M231 PolarHBondContact N-O 2.66Å; A198-M231 PolarHBondContact O-N 2.87Å; M231-L233 PolarHBondContact O-N 2.7Å; M231-C235 HydrophobicContact CE-CB 3.54Å; M231-C235 HydrophobicContact CG-CB 4.21Å; M231-C235 HydrophobicContact SD-CB 3.9Å; M231-V237 HydrophobicContact CE-CG2 4.02Å; M231-V237 HydrophobicContact SD-CB 4.3Å; M231-V237 HydrophobicContact SD-CG2 3.19Å; M231-V237 WeakPolarHBondContact SD-CG2 3.39Å; M231-M257 HydrophobicContact CB-CB 4.24Å; M231-M257 HydrophobicContact CE-SD 3.93Å; M231-M257 HydrophobicContact CG-CB 4.25Å; M231-M257 HydrophobicContact CG-SD 4.42Å; M231-M257 HydrophobicContact SD-CG 4.46Å; M231-M257 HydrophobicContact SD-SD 3.53Å
232P87.6Confident86.1Confident37 Ų3770.4 Ų70.424%0.2438%0.382CS..EExtended strand (participates in β ladder)trans-58.4137.1173.8-26.837.2000113P164 Q234 C235P164-P232 HydrophobicContact CB-CB 4.32Å; P164-P232 HydrophobicContact CB-CG 3.84Å; P232-Q234 HydrophobicContact CB-CG 4.24Å; P232-Q234 PolarHBondContact O-N 3.3Å; P232-C235 PolarHBondContact O-N 2.96Å; P232-C235 VanDerWaalsContact O-N 3.13Å
233L84.9Confident87.2Confident78 Ų7870.6 Ų70.641%0.40838%0.379SS..G310 helixtrans-55.9-36.6-177.5-73169000113.1P193 H197 A198 M231 C235 G236P193-L233 HydrophobicContact CB-CD2 4.15Å; H197-L233 VanDerWaalsContact C-CD2 3.47Å; A198-L233 HydrophobicContact CB-CD2 4.27Å; M231-L233 PolarHBondContact O-N 2.7Å; L233-C235 PolarHBondContact O-N 3.14Å; L233-C235 VanDerWaalsContact O-N 3.1Å; L233-G236 PolarHBondContact O-N 3.07Å
234Q84Confident88Confident139 Ų13960.9 Ų60.965%0.6534%0.343SS*.G310 helixtrans-64.8-13.4-177.370.8-154.813.200114.3C165 P232 G236C165-Q234 VanDerWaalsContact SG-CG 3.5Å; P232-Q234 HydrophobicContact CB-CG 4.24Å; P232-Q234 PolarHBondContact O-N 3.3Å; Q234-G236 VanDerWaalsContact C-N 3.31Å
235C83.4Confident88.3Confident27 Ų2760.2 Ų60.218%0.18234%0.338CS..G310 helixtrans-79.6-14.3178.9-54.90000113.3P164 C165 M231 P232 L233 V237P164-C235 PolarHBondContact O-SG 2.87Å; C165-C235 WeakPolarHBondContact CA-SG 3.42Å; C165-C235 HydrophobicContact CB-CB 3.68Å; C165-C235 WeakPolarHBondContact CB-SG 3.13Å; C165-C235 WeakPolarHBondContact SG-CA 3.38Å; C165-C235 WeakPolarHBondContact SG-CB 3.15Å; C165-C235 PolarHBondContact SG-N 2.83Å; C165-C235 CovalentContact SG-SG 2.04Å; C165-C235 PolarHBondContact SG-SG 3.26Å; M231-C235 HydrophobicContact CE-CB 3.54Å; M231-C235 HydrophobicContact CG-CB 4.21Å; M231-C235 HydrophobicContact SD-CB 3.9Å; P232-C235 PolarHBondContact O-N 2.96Å; P232-C235 VanDerWaalsContact O-N 3.13Å; L233-C235 PolarHBondContact O-N 3.14Å; L233-C235 VanDerWaalsContact O-N 3.1Å; C235-V237 VanDerWaalsContact C-N 3.3Å; C235-V237 PolarHBondContact O-N 3.46Å
236G77.4Confident88.4Confident53 Ų5357.1 Ų57.155%0.54633%0.327SS..  trans58.935.8168.300000114.7L233 Q234L233-G236 PolarHBondContact O-N 3.07Å; Q234-G236 VanDerWaalsContact C-N 3.31Å
237V82Confident88.5Confident44 Ų4453.7 Ų53.727%0.26731%0.305SS..  trans-63.1140.2179.3175.60000110.8I188 V191 V200 M231 C235I188-V237 HydrophobicContact CD1-CG1 4.26Å; V191-V237 HydrophobicContact CG2-CG1 4.23Å; V200-V237 HydrophobicContact CG2-CG1 4.49Å; M231-V237 HydrophobicContact CE-CG2 4.02Å; M231-V237 HydrophobicContact SD-CB 4.3Å; M231-V237 HydrophobicContact SD-CG2 3.19Å; M231-V237 WeakPolarHBondContact SD-CG2 3.39Å; C235-V237 VanDerWaalsContact C-N 3.3Å; C235-V237 PolarHBondContact O-N 3.46Å
238K80Confident88.4Confident174 Ų17453.1 Ų53.176%0.75730%0.299SS*.  trans-119.8148177-62.4-178.1-178.4179.60109.2G240K238-G240 PolarHBondContact O-N 3.03Å
239S81.8Confident88.3Confident66 Ų6651.7 Ų51.746%0.46229%0.294SS..  trans-56.4136.4162.4-62.10000109K189K189-S239 PolarHBondContact O-OG 3.11Å
240G74.1Confident88.1Confident38 Ų3852.2 Ų52.239%0.39230%0.297SS..  trans-158.8155.4-179.400000110.8K238K238-G240 PolarHBondContact O-N 3.03Å
241E84.3Confident88Confident181 Ų18154 Ų5485%0.84630%0.303SS*.SBendtrans-74.4146178.8-63.2-169.5168.900112.1R262E241-R262 PolarHBondContact O-NH1 2.92Å; E241-R262 VanDerWaalsContact O-NH1 3.09Å
242G91.3Very high88.1Confident33 Ų3353.6 Ų53.634%0.3430%0.301SS..SBendtrans122.8167.3175.100000113.4F244G242-F244 WeakPolarHBondContact O-CD2 3.42Å; G242-F244 WeakPolarHBondContact O-CE2 3.39Å
243E95.1Very high88.1Confident72 Ų7254.3 Ų54.334%0.33632%0.315SS..  trans-95.1137.6174.6-65.9-169.598.900110.9R185 G186 T187 S205 Y263R185-E243 IonicContact CZ-OE1 2.83Å; R185-E243 IonicContact CZ-OE2 3.1Å; R185-E243 VanDerWaalsContact NE-CD 3.34Å; R185-E243 IonicContact NE-OE1 2.87Å; R185-E243 PolarHBondContact NE-OE1 3.03Å; R185-E243 IonicContact NE-OE2 2.66Å; R185-E243 PolarHBondContact NE-OE2 3.26Å; R185-E243 IonicContact NH2-OE1 2.73Å; R185-E243 PolarHBondContact NH2-OE1 2.99Å; R185-E243 IonicContact NH2-OE2 3.16Å; R185-E243 PolarHBondContact NH2-OE2 2.9Å; G186-E243 WeakPolarHBondContact O-CA 3.4Å; T187-E243 HydrophobicContact CG2-CG 4.15Å; S205-E243 PolarHBondContact OG-OE1 2.79Å; E243-Y263 PolarHBondContact O-N 2.89Å
244F95.7Very high88.4Confident26 Ų2653.1 Ų53.111%0.11431%0.307CS..EExtended strand (participates in β ladder)trans-122.5150.4-178.4-60.8-91.2000109.8R185 G186 I188 G242 F246 P261 R262R185-F244 WeakPolarHBondContact CA-O 3.3Å; G186-F244 PolarHBondContact N-O 2.86Å; G186-F244 PolarHBondContact O-N 3.2Å; I188-F244 HydrophobicContact CD1-CD2 4.41Å; I188-F244 HydrophobicContact CD1-CE2 4.25Å; I188-F244 HydrophobicContact CG1-CD2 4.29Å; I188-F244 HydrophobicContact CG1-CE2 4.39Å; G242-F244 WeakPolarHBondContact O-CD2 3.42Å; G242-F244 WeakPolarHBondContact O-CE2 3.39Å; F244-F246 HydrophobicContact CB-CD1 4.39Å; F244-F246 HydrophobicContact CB-CE1 3.84Å; F244-F246 HydrophobicContact CB-CE2 4.18Å; F244-F246 HydrophobicContact CB-CZ 3.73Å; F244-F246 HydrophobicContact CD2-CZ 4.37Å; F244-F246 HydrophobicContact CG-CE1 4.46Å; F244-F246 HydrophobicContact CG-CZ 4.36Å; F244-P261 VanDerWaalsContact CA-O 3.31Å; F244-P261 WeakPolarHBondContact CA-O 3.32Å; F244-R262 HydrophobicContact CD1-CG 4.33Å; F244-R262 HydrophobicContact CE1-CG 4.04Å
245L96.5Very high88.9Confident1 Ų146.7 Ų46.71%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-94.2106.7165-17774.7000108.2V177 V183 A184 Y208 T247 A260 P261 Y263 F266V177-L245 HydrophobicContact CG2-CD2 3.61Å; V183-L245 HydrophobicContact CG1-CD1 3.92Å; A184-L245 CarbonylContact O-C 3.57Å; Y208-L245 HydrophobicContact CD2-CD1 4.29Å; Y208-L245 HydrophobicContact CE2-CD1 3.94Å; L245-T247 HydrophobicContact CD2-CG2 4.16Å; L245-T247 HydrophobicContact CG-CG2 4.13Å; L245-A260 WeakPolarHBondContact O-CA 3.17Å; L245-P261 HydrophobicContact CB-CG 4.22Å; L245-P261 PolarHBondContact N-O 3.33Å; L245-P261 WeakPolarHBondContact O-CD 3.42Å; L245-Y263 HydrophobicContact CB-CD2 4.29Å; L245-Y263 HydrophobicContact CD1-CD2 4.33Å; L245-Y263 HydrophobicContact CD1-CE2 4.47Å; L245-F266 HydrophobicContact CD2-CB 4Å; L245-F266 HydrophobicContact CD2-CD1 3.78Å; L245-F266 HydrophobicContact CD2-CD2 3.58Å; L245-F266 HydrophobicContact CD2-CE1 4.13Å; L245-F266 HydrophobicContact CD2-CE2 3.96Å; L245-F266 HydrophobicContact CD2-CG 3.49Å; L245-F266 VanDerWaalsContact CD2-CG 3.49Å; L245-F266 HydrophobicContact CD2-CZ 4.21Å
246F96.1Very high89.4Confident1 Ų149.1 Ų49.10%0.00428%0.283CS..EExtended strand (participates in β ladder)trans-85.7123.5174-55-69.6000109.9F182 V183 A184 I188 V202 I204 I229 F244 M257 A260F182-F246 HydrophobicContact CE2-CB 4.19Å; V183-F246 CarbonylContact C-O 3.57Å; V183-F246 WeakPolarHBondContact CA-O 3.5Å; A184-F246 PolarHBondContact N-O 2.96Å; A184-F246 PolarHBondContact O-N 2.82Å; I188-F246 HydrophobicContact CD1-CE1 4.44Å; I188-F246 HydrophobicContact CG1-CE1 4.01Å; I188-F246 HydrophobicContact CG1-CZ 3.77Å; V202-F246 HydrophobicContact CB-CE2 4.1Å; V202-F246 HydrophobicContact CB-CZ 4.34Å; V202-F246 HydrophobicContact CG1-CD2 4.43Å; V202-F246 HydrophobicContact CG1-CE1 4.04Å; V202-F246 HydrophobicContact CG1-CE2 3.84Å; V202-F246 HydrophobicContact CG1-CZ 3.62Å; I204-F246 HydrophobicContact CD1-CD2 3.82Å; I204-F246 HydrophobicContact CD1-CE2 4.17Å; I229-F246 HydrophobicContact CD1-CB 3.84Å; I229-F246 HydrophobicContact CD1-CD1 4.01Å; I229-F246 HydrophobicContact CD1-CD2 4.48Å; I229-F246 HydrophobicContact CD1-CG 3.86Å; F244-F246 HydrophobicContact CB-CD1 4.39Å; F244-F246 HydrophobicContact CB-CE1 3.84Å; F244-F246 HydrophobicContact CB-CE2 4.18Å; F244-F246 HydrophobicContact CB-CZ 3.73Å; F244-F246 HydrophobicContact CD2-CZ 4.37Å; F244-F246 HydrophobicContact CG-CE1 4.46Å; F244-F246 HydrophobicContact CG-CZ 4.36Å; F246-M257 HydrophobicContact CD1-CE 4.16Å; F246-M257 HydrophobicContact CE1-CE 4.39Å; F246-A260 HydrophobicContact CD1-CB 4.11Å; F246-A260 HydrophobicContact CE1-CB 4.44Å
247T96Very high90.1Very high1 Ų147.9 Ų47.91%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-125.2149.5170.968.80000109.1A176 V177 N180 F182 V183 L245 G258 C259A176-T247 HydrophobicContact CB-CG2 4.39Å; V177-T247 HydrophobicContact CG2-CG2 4.15Å; N180-T247 PolarHBondContact ND2-OG1 2.95Å; F182-T247 WeakPolarHBondContact O-CA 3.36Å; V183-T247 HydrophobicContact CG1-CG2 4.26Å; V183-T247 HydrophobicContact CG2-CG2 4.35Å; L245-T247 HydrophobicContact CD2-CG2 4.16Å; L245-T247 HydrophobicContact CG-CG2 4.13Å; T247-G258 WeakPolarHBondContact O-CA 3.41Å; T247-G258 PolarHBondContact O-N 3.47Å; T247-C259 PolarHBondContact N-O 2.88Å; T247-C259 PolarHBondContact O-N 3.45Å; T247-C259 WeakPolarHBondContact OG1-CA 3.33Å; T247-C259 VanDerWaalsContact OG1-CB 3.24Å; T247-C259 WeakPolarHBondContact OG1-CB 3.36Å; T247-C259 PolarHBondContact OG1-N 3.04Å; T247-C259 PolarHBondContact OG1-O 2.93Å; T247-C259 VanDerWaalsContact OG1-O 3.08Å
248G94.1Very high90.5Very high0 Ų047.9 Ų47.90%027%0.272CS..EExtended strand (participates in β ladder)trans174.6-178.4175.600000115.1N180 D181 F182 W256N180-G248 WeakPolarHBondContact CB-O 3.23Å; N180-G248 PolarHBondContact ND2-N 2.86Å; D181-G248 PolarHBondContact N-O 2.8Å; F182-G248 VanDerWaalsContact CD1-O 3.31Å; F182-G248 WeakPolarHBondContact CD1-O 3.01Å; F182-G248 VanDerWaalsContact CE1-CA 3.44Å; F182-G248 VanDerWaalsContact CZ-CA 3.48Å; F182-G248 PolarHBondContact N-O 2.87Å; F182-G248 VanDerWaalsContact N-O 3.12Å; F182-G248 PolarHBondContact O-N 2.91Å; F182-G248 VanDerWaalsContact O-N 3.15Å; G248-W256 VanDerWaalsContact CA-O 3.27Å; G248-W256 WeakPolarHBondContact CA-O 3.38Å
249T92.4Very high91Very high60 Ų6040.1 Ų40.137%0.36824%0.24SC..EExtended strand (participates in β ladder)trans-100.5151.7-179.758.50000110.6D181 W256D181-T249 WeakPolarHBondContact OD2-CA 3.36Å; T249-W256 PolarHBondContact N-O 2.84Å; T249-W256 PolarHBondContact O-N 2.88Å
250V91.8Very high91.6Very high12 Ų1238.7 Ų38.77%0.07323%0.232CC..EExtended strand (participates in β ladder)trans-101.3123.1168.2-176.90000108.5D181 F182 T212 V214 E254D181-V250 HydrophobicContact CB-CB 4.27Å; D181-V250 HydrophobicContact CB-CG2 3.92Å; D181-V250 PolarHBondContact OD2-N 2.95Å; F182-V250 HydrophobicContact CD1-CG2 4.03Å; T212-V250 WeakPolarHBondContact OG1-CG1 3.36Å; V214-V250 HydrophobicContact CG1-CB 4.43Å; V214-V250 HydrophobicContact CG1-CG1 3.79Å; V214-V250 HydrophobicContact CG1-CG2 3.74Å; V214-V250 HydrophobicContact CG2-CG2 4.24Å; V250-E254 WeakPolarHBondContact CA-O 3.46Å
251R89.9Confident92.6Very high70 Ų7038 Ų3826%0.26422%0.221SC..EExtended strand (participates in β ladder)trans-125.1121.3-179.9-55.7-61.9-58-100.5-16.9108.4E148 G253 E254E148-R251 IonicContact OE2-CZ 3.72Å; E148-R251 IonicContact OE2-NE 2.63Å; E148-R251 PolarHBondContact OE2-NE 3.4Å; E148-R251 IonicContact OE2-NH2 2.7Å; E148-R251 PolarHBondContact OE2-NH2 3.07Å; R251-G253 PolarHBondContact O-N 2.79Å; R251-E254 PolarHBondContact N-O 2.77Å; R251-E254 WeakPolarHBondContact O-CB 3.44Å; R251-E254 PolarHBondContact O-N 2.95Å
252F91.1Very high93.1Very high12 Ų1234.5 Ų34.55%0.05320%0.2CC..THydrogen-bonded Turntrans52.840.9-178-56.2-75.5000113.3C84 K86 V118 Q146 E148 E254C84-F252 HydrophobicContact CB-CE2 4.24Å; C84-F252 HydrophobicContact CB-CZ 3.69Å; K86-F252 HydrophobicContact CB-CB 4.33Å; K86-F252 HydrophobicContact CB-CD1 3.51Å; K86-F252 HydrophobicContact CB-CD2 4.31Å; K86-F252 HydrophobicContact CB-CE1 3.78Å; K86-F252 HydrophobicContact CB-CG 3.79Å; K86-F252 HydrophobicContact CB-CZ 4.29Å; K86-F252 HydrophobicContact CD-CB 3.57Å; K86-F252 HydrophobicContact CD-CD1 4.35Å; K86-F252 HydrophobicContact CD-CD2 4.32Å; K86-F252 HydrophobicContact CD-CG 3.83Å; K86-F252 HydrophobicContact CG-CG 4.46Å; V118-F252 HydrophobicContact CB-CE2 4.3Å; V118-F252 HydrophobicContact CG1-CD2 4.44Å; V118-F252 HydrophobicContact CG1-CE2 3.54Å; V118-F252 HydrophobicContact CG1-CZ 3.92Å; V118-F252 HydrophobicContact CG2-CD2 3.75Å; V118-F252 HydrophobicContact CG2-CE2 3.69Å; V118-F252 HydrophobicContact CG2-CZ 4.47Å; Q146-F252 HydrophobicContact CB-CD1 3.73Å; Q146-F252 HydrophobicContact CB-CE1 4.3Å; Q146-F252 VanDerWaalsContact OE1-C 3.28Å; Q146-F252 VanDerWaalsContact OE1-CA 3.23Å; Q146-F252 PolarHBondContact OE1-O 3.32Å; E148-F252 HydrophobicContact CB-CE1 4.25Å; E148-F252 HydrophobicContact CB-CZ 4.11Å; E148-F252 HydrophobicContact CG-CD1 4.19Å; E148-F252 HydrophobicContact CG-CE1 3.87Å; E148-F252 HydrophobicContact CG-CZ 4.11Å; E148-F252 PolarHBondContact OE1-N 2.81Å; F252-E254 PolarHBondContact O-N 3.02Å
253G89.4Confident93.3Very high52 Ų5233.3 Ų33.354%0.53619%0.185SC..THydrogen-bonded Turntrans73.44.6-17700000115.1R251R251-G253 PolarHBondContact O-N 2.79Å
254E91.1Very high93.3Very high54 Ų5436.6 Ų36.625%0.25220%0.198SC..EExtended strand (participates in β ladder)trans-108.8133.4-178.3-58.4174148.300110.3K86 K230 V250 R251 F252K86-E254 IonicContact NZ-OE1 2.82Å; K86-E254 PolarHBondContact NZ-OE1 2.83Å; K86-E254 IonicContact NZ-OE2 3.79Å; K86-E254 PolarHBondContact NZ-OE2 2.87Å; K230-E254 HydrophobicContact CD-CB 4.13Å; K230-E254 VanDerWaalsContact CE-CD 3.46Å; K230-E254 IonicContact NZ-OE1 3.72Å; K230-E254 PolarHBondContact NZ-OE1 3.42Å; K230-E254 IonicContact NZ-OE2 3.02Å; K230-E254 PolarHBondContact NZ-OE2 3.27Å; V250-E254 WeakPolarHBondContact CA-O 3.46Å; R251-E254 PolarHBondContact N-O 2.77Å; R251-E254 WeakPolarHBondContact O-CB 3.44Å; R251-E254 PolarHBondContact O-N 2.95Å; F252-E254 PolarHBondContact O-N 3.02Å
255A94.1Very high93.3Very high3 Ų337.8 Ų37.83%0.02521%0.205CC..EExtended strand (participates in β ladder)trans-75.8126.7176.400000110.4F182 V214 I229 K230F182-A255 HydrophobicContact CD1-CB 4.26Å; F182-A255 HydrophobicContact CE1-CB 3.73Å; F182-A255 HydrophobicContact CZ-CB 4.18Å; V214-A255 HydrophobicContact CB-CB 4.07Å; V214-A255 HydrophobicContact CG1-CB 4.28Å; V214-A255 HydrophobicContact CG2-CB 4.14Å; I229-A255 HydrophobicContact CG1-CB 4.45Å; K230-A255 WeakPolarHBondContact CB-O 3.2Å; K230-A255 PolarHBondContact N-O 3.46Å
256W92.6Very high93.2Very high79 Ų7937.7 Ų37.730%0.29921%0.205SC..EExtended strand (participates in β ladder)trans-113.8131.1173.9-75.482.9000110.2H197 K230 G248 T249 G258H197-W256 HydrophobicContact CB-CH2 4.23Å; H197-W256 HydrophobicContact CB-CZ3 4.45Å; K230-W256 HydrophobicContact CB-CD2 3.83Å; K230-W256 HydrophobicContact CB-CE3 3.88Å; K230-W256 HydrophobicContact CB-CG 4.34Å; K230-W256 HydrophobicContact CB-CH2 4.31Å; K230-W256 HydrophobicContact CB-CZ2 4.25Å; K230-W256 HydrophobicContact CB-CZ3 4.13Å; K230-W256 HydrophobicContact CD-CH2 4.43Å; K230-W256 HydrophobicContact CD-CZ2 3.82Å; K230-W256 WeakPolarHBondContact O-CA 3.26Å; G248-W256 VanDerWaalsContact CA-O 3.27Å; G248-W256 WeakPolarHBondContact CA-O 3.38Å; T249-W256 PolarHBondContact N-O 2.84Å; T249-W256 PolarHBondContact O-N 2.88Å; W256-G258 PolarHBondContact O-N 2.82Å
257M92.3Very high93.3Very high27 Ų2739.5 Ų39.513%0.13322%0.215CC..EExtended strand (participates in β ladder)trans-65.8129.9-178.5-167164.3-70.300111.1V200 I229 K230 M231 F246 A260V200-M257 HydrophobicContact CB-CE 4.47Å; V200-M257 HydrophobicContact CG1-CE 4.46Å; V200-M257 HydrophobicContact CG2-CE 4.38Å; I229-M257 HydrophobicContact CB-CE 4.23Å; I229-M257 HydrophobicContact CD1-CE 4.47Å; I229-M257 HydrophobicContact CG2-CB 3.69Å; I229-M257 HydrophobicContact CG2-CE 3.85Å; I229-M257 HydrophobicContact CG2-CG 4.41Å; K230-M257 PolarHBondContact O-N 2.87Å; M231-M257 HydrophobicContact CB-CB 4.24Å; M231-M257 HydrophobicContact CE-SD 3.93Å; M231-M257 HydrophobicContact CG-CB 4.25Å; M231-M257 HydrophobicContact CG-SD 4.42Å; M231-M257 HydrophobicContact SD-CG 4.46Å; M231-M257 HydrophobicContact SD-SD 3.53Å; F246-M257 HydrophobicContact CD1-CE 4.16Å; F246-M257 HydrophobicContact CE1-CE 4.39Å; M257-A260 HydrophobicContact CE-CB 4.4Å; M257-A260 HydrophobicContact CG-CB 4.37Å; M257-A260 HydrophobicContact SD-CB 3.74Å
258G91.2Very high93.3Very high44 Ų4447.1 Ų47.145%0.45424%0.243SC..  trans-101.2-88.2165.700000109.9T247 W256T247-G258 WeakPolarHBondContact O-CA 3.41Å; T247-G258 PolarHBondContact O-N 3.47Å; W256-G258 PolarHBondContact O-N 2.82Å
259C91Very high93.4Very high10 Ų1047.9 Ų47.97%0.06825%0.247CC..  trans-105.9142175.1-48.50000111.3C168 T247C168-C259 HydrophobicContact CB-CB 3.83Å; C168-C259 WeakPolarHBondContact CB-SG 3.35Å; C168-C259 VanDerWaalsContact SG-CA 3.53Å; C168-C259 WeakPolarHBondContact SG-CB 3.47Å; C168-C259 CovalentContact SG-SG 2.02Å; C168-C259 PolarHBondContact SG-SG 2.93Å; T247-C259 PolarHBondContact N-O 2.88Å; T247-C259 PolarHBondContact O-N 3.45Å; T247-C259 WeakPolarHBondContact OG1-CA 3.33Å; T247-C259 VanDerWaalsContact OG1-CB 3.24Å; T247-C259 WeakPolarHBondContact OG1-CB 3.36Å; T247-C259 PolarHBondContact OG1-N 3.04Å; T247-C259 PolarHBondContact OG1-O 2.93Å; T247-C259 VanDerWaalsContact OG1-O 3.08Å
260A93.8Very high93.6Very high37 Ų3745.2 Ų45.231%0.30623%0.231SC..  trans-135.455.6173.500000113L245 F246 M257L245-A260 WeakPolarHBondContact O-CA 3.17Å; F246-A260 HydrophobicContact CD1-CB 4.11Å; F246-A260 HydrophobicContact CE1-CB 4.44Å; M257-A260 HydrophobicContact CE-CB 4.4Å; M257-A260 HydrophobicContact CG-CB 4.37Å; M257-A260 HydrophobicContact SD-CB 3.74Å
261P94.3Very high93.8Very high23 Ų2348.7 Ų48.715%0.14925%0.246CC..  trans-66.6163.1175.832.3-39000111.4M173 F244 L245M173-P261 HydrophobicContact CE-CB 3.61Å; M173-P261 HydrophobicContact CE-CG 3.86Å; M173-P261 HydrophobicContact CG-CG 4.01Å; M173-P261 HydrophobicContact SD-CB 3.92Å; M173-P261 HydrophobicContact SD-CG 3.62Å; F244-P261 VanDerWaalsContact CA-O 3.31Å; F244-P261 WeakPolarHBondContact CA-O 3.32Å; L245-P261 HydrophobicContact CB-CG 4.22Å; L245-P261 PolarHBondContact N-O 3.33Å; L245-P261 WeakPolarHBondContact O-CD 3.42Å
262R94.8Very high94.1Very high108 Ų10850.2 Ų50.241%0.40826%0.256SS..BIsolated β-bridgetrans-65.6139167.7-62.8-174.1173.4-83.73.7109E241 F244 K264 D265 F266E241-R262 PolarHBondContact O-NH1 2.92Å; E241-R262 VanDerWaalsContact O-NH1 3.09Å; F244-R262 HydrophobicContact CD1-CG 4.33Å; F244-R262 HydrophobicContact CE1-CG 4.04Å; R262-K264 VanDerWaalsContact C-N 3.25Å; R262-K264 HydrophobicContact CB-CG 4.18Å; R262-K264 PolarHBondContact O-N 3.25Å; R262-D265 WeakPolarHBondContact CB-OD2 3.24Å; R262-D265 PolarHBondContact O-N 3.36Å; R262-F266 PolarHBondContact O-N 3.18Å
263Y95.9Very high94.3Very high8 Ų849.8 Ų49.83%0.03125%0.254CS..Hα-helixtrans-59.8-36.6-174.9-176.4-114.2000112.6R185 Y208 E243 L245 D265 F266 L267R185-Y263 HydrophobicContact CB-CD2 4.33Å; R185-Y263 HydrophobicContact CB-CE2 4.37Å; R185-Y263 HydrophobicContact CG-CD1 4.3Å; R185-Y263 HydrophobicContact CG-CD2 4.02Å; R185-Y263 HydrophobicContact CG-CE2 4.27Å; R185-Y263 HydrophobicContact CG-CG 4.05Å; R185-Y263 VanDerWaalsContact NH1-CE1 3.29Å; Y208-Y263 VanDerWaalsContact OH-CE2 3.3Å; Y208-Y263 WeakPolarHBondContact OH-CE2 3.13Å; Y208-Y263 PolarHBondContact OH-OH 2.84Å; E243-Y263 PolarHBondContact O-N 2.89Å; L245-Y263 HydrophobicContact CB-CD2 4.29Å; L245-Y263 HydrophobicContact CD1-CD2 4.33Å; L245-Y263 HydrophobicContact CD1-CE2 4.47Å; Y263-D265 VanDerWaalsContact C-N 3.28Å; Y263-D265 PolarHBondContact O-N 2.78Å; Y263-F266 HydrophobicContact CD2-CD1 4.09Å; Y263-F266 AromaticContact CE2-CD1 3.93Å; Y263-F266 HydrophobicContact CE2-CD1 3.93Å; Y263-F266 HydrophobicContact CE2-CE1 4.25Å; Y263-F266 WeakPolarHBondContact O-CB 3.46Å; Y263-F266 PolarHBondContact O-N 3.45Å; Y263-L267 HydrophobicContact CD1-CD1 3.91Å; Y263-L267 HydrophobicContact CD1-CG 4.23Å; Y263-L267 HydrophobicContact CE1-CD1 3.47Å; Y263-L267 VanDerWaalsContact CE1-CD1 3.47Å; Y263-L267 HydrophobicContact CE1-CD2 4.16Å; Y263-L267 HydrophobicContact CE1-CG 3.81Å; Y263-L267 HydrophobicContact CE2-CD2 4.36Å; Y263-L267 HydrophobicContact CE2-CG 4.34Å; Y263-L267 PolarHBondContact O-N 2.65Å
264K95.5Very high94.6Very high140 Ų14051.7 Ų51.761%0.60925%0.249SC*.Hα-helixtrans-59.6-35.4174.968.8175.9-171.3172.30113.8R262 R268R262-K264 VanDerWaalsContact C-N 3.25Å; R262-K264 HydrophobicContact CB-CG 4.18Å; R262-K264 PolarHBondContact O-N 3.25Å; K264-R268 PolarHBondContact O-N 3.15Å
265D95.2Very high94.9Very high51 Ų5156.6 Ų56.627%0.27328%0.276SS..Hα-helixtrans-76.2-39.3-176.6-61.3-32.5000109.1R262 Y263 R268 L269R262-D265 WeakPolarHBondContact CB-OD2 3.24Å; R262-D265 PolarHBondContact O-N 3.36Å; Y263-D265 VanDerWaalsContact C-N 3.28Å; Y263-D265 PolarHBondContact O-N 2.78Å; D265-R268 PolarHBondContact O-N 3.18Å; D265-L269 WeakPolarHBondContact O-CG 3.33Å; D265-L269 PolarHBondContact O-N 3.19Å; D265-L269 VanDerWaalsContact O-N 3.14Å
266F95.8Very high95Very high0 Ų062.1 Ų62.10%030%0.302CS..Hα-helixtrans-59.3-49.2169.6164.7-107.1000112.4M173 V177 L245 R262 Y263 R268 L269 Y270 T285M173-F266 HydrophobicContact CG-CD2 4.27Å; M173-F266 HydrophobicContact SD-CB 3.9Å; M173-F266 HydrophobicContact SD-CD2 4.15Å; V177-F266 HydrophobicContact CB-CE2 4.5Å; V177-F266 HydrophobicContact CG1-CZ 4.43Å; V177-F266 HydrophobicContact CG2-CD2 4.35Å; V177-F266 HydrophobicContact CG2-CE2 3.68Å; V177-F266 HydrophobicContact CG2-CZ 4.09Å; L245-F266 HydrophobicContact CD2-CB 4Å; L245-F266 HydrophobicContact CD2-CD1 3.78Å; L245-F266 HydrophobicContact CD2-CD2 3.58Å; L245-F266 HydrophobicContact CD2-CE1 4.13Å; L245-F266 HydrophobicContact CD2-CE2 3.96Å; L245-F266 HydrophobicContact CD2-CG 3.49Å; L245-F266 VanDerWaalsContact CD2-CG 3.49Å; L245-F266 HydrophobicContact CD2-CZ 4.21Å; R262-F266 PolarHBondContact O-N 3.18Å; Y263-F266 HydrophobicContact CD2-CD1 4.09Å; Y263-F266 AromaticContact CE2-CD1 3.93Å; Y263-F266 HydrophobicContact CE2-CD1 3.93Å; Y263-F266 HydrophobicContact CE2-CE1 4.25Å; Y263-F266 WeakPolarHBondContact O-CB 3.46Å; Y263-F266 PolarHBondContact O-N 3.45Å; F266-R268 VanDerWaalsContact C-N 3.29Å; F266-R268 PolarHBondContact O-N 2.74Å; F266-L269 PolarHBondContact O-N 2.84Å; F266-L269 VanDerWaalsContact O-N 3.14Å; F266-Y270 HydrophobicContact CE2-CD2 4.29Å; F266-Y270 HydrophobicContact CE2-CG 4.28Å; F266-Y270 HydrophobicContact CZ-CD2 4.18Å; F266-Y270 HydrophobicContact CZ-CG 4.01Å; F266-Y270 WeakPolarHBondContact O-CB 3.44Å; F266-Y270 PolarHBondContact O-N 3.3Å; F266-T285 HydrophobicContact CE1-CG2 4.08Å
267L96.3Very high95.1Very high38 Ų3861.2 Ų61.220%0.19932%0.317CS..Hα-helixtrans-56.6-44.8-179.5-78.8-179.9000112Y263 Y270 H271 T285Y263-L267 HydrophobicContact CD1-CD1 3.91Å; Y263-L267 HydrophobicContact CD1-CG 4.23Å; Y263-L267 HydrophobicContact CE1-CD1 3.47Å; Y263-L267 VanDerWaalsContact CE1-CD1 3.47Å; Y263-L267 HydrophobicContact CE1-CD2 4.16Å; Y263-L267 HydrophobicContact CE1-CG 3.81Å; Y263-L267 HydrophobicContact CE2-CD2 4.36Å; Y263-L267 HydrophobicContact CE2-CG 4.34Å; Y263-L267 PolarHBondContact O-N 2.65Å; L267-Y270 PolarHBondContact O-N 3.22Å; L267-H271 WeakPolarHBondContact O-CB 3.37Å; L267-H271 PolarHBondContact O-CD2 2.91Å; L267-H271 VanDerWaalsContact O-CG 3.3Å; L267-H271 PolarHBondContact O-N 3.32Å; L267-T285 HydrophobicContact CD2-CG2 3.79Å
268R96.5Very high95.3Very high162 Ų16264 Ų6461%0.61134%0.335SS*.Hα-helixtrans-58.3-50.3176.1-179.1-176.761.6-176.3-3.2111.3K264 D265 F266 E272K264-R268 PolarHBondContact O-N 3.15Å; D265-R268 PolarHBondContact O-N 3.18Å; F266-R268 VanDerWaalsContact C-N 3.29Å; F266-R268 PolarHBondContact O-N 2.74Å; R268-E272 PolarHBondContact O-N 3.36Å; R268-E272 VanDerWaalsContact O-N 3.1Å
269L95.9Very high95.4Very high16 Ų1663.9 Ų63.98%0.08432%0.324CS..Hα-helixtrans-63.6-42.1-179.5-71171.2000112.2D170 M173 D265 F266 E272 A273D170-L269 HydrophobicContact CB-CD1 4.22Å; D170-L269 HydrophobicContact CB-CD2 4.05Å; D170-L269 WeakPolarHBondContact OD1-CD1 3.26Å; M173-L269 HydrophobicContact CE-CD1 3.69Å; M173-L269 HydrophobicContact SD-CD1 3.66Å; D265-L269 WeakPolarHBondContact O-CG 3.33Å; D265-L269 PolarHBondContact O-N 3.19Å; D265-L269 VanDerWaalsContact O-N 3.14Å; F266-L269 PolarHBondContact O-N 2.84Å; F266-L269 VanDerWaalsContact O-N 3.14Å; L269-E272 PolarHBondContact O-N 3.28Å; L269-A273 WeakPolarHBondContact O-CB 3.41Å; L269-A273 PolarHBondContact O-N 3.13Å
270Y96.6Very high95.6Very high4 Ų466.6 Ų66.62%0.01634%0.342CS..Hα-helixtrans-68.2-42.2-179.4-178.3-101.5000112L174 F266 L267 A273 Q274 N279 H282 V283 T285L174-Y270 HydrophobicContact CD2-CD2 4.12Å; F266-Y270 HydrophobicContact CE2-CD2 4.29Å; F266-Y270 HydrophobicContact CE2-CG 4.28Å; F266-Y270 HydrophobicContact CZ-CD2 4.18Å; F266-Y270 HydrophobicContact CZ-CG 4.01Å; F266-Y270 WeakPolarHBondContact O-CB 3.44Å; F266-Y270 PolarHBondContact O-N 3.3Å; L267-Y270 PolarHBondContact O-N 3.22Å; Y270-A273 PolarHBondContact O-N 2.95Å; Y270-Q274 WeakPolarHBondContact O-CB 3.41Å; Y270-Q274 PolarHBondContact O-N 3.37Å; Y270-N279 HydrophobicContact CE2-CB 4.16Å; Y270-H282 WeakPolarHBondContact OH-CA 3.04Å; Y270-V283 HydrophobicContact CE1-CB 4.34Å; Y270-V283 HydrophobicContact CE2-CB 4.05Å; Y270-V283 HydrophobicContact CE2-CG2 3.88Å; Y270-V283 PolarHBondContact OH-N 3.35Å; Y270-V283 PolarHBondContact OH-O 3.43Å; Y270-T285 HydrophobicContact CD1-CG2 3.76Å; Y270-T285 HydrophobicContact CE1-CG2 3.91Å
271H96.2Very high95.6Very high85 Ų8566.7 Ų66.739%0.39434%0.34SS..Hα-helixtrans-64.1-40.5175.4-72.7-173.2000112.2L267 Q274 L275L267-H271 WeakPolarHBondContact O-CB 3.37Å; L267-H271 PolarHBondContact O-CD2 2.91Å; L267-H271 VanDerWaalsContact O-CG 3.3Å; L267-H271 PolarHBondContact O-N 3.32Å; H271-Q274 PolarHBondContact O-N 3.35Å; H271-L275 WeakPolarHBondContact O-CG 3.43Å; H271-L275 PolarHBondContact O-N 3.14Å
272E96.7Very high95.6Very high101 Ų10172.1 Ų72.147%0.47236%0.363SS..Hα-helixtrans-60.7-47.4174.2-178.1172.6-174.600111.3R268 L269 Q274 L275 Q276R268-E272 PolarHBondContact O-N 3.36Å; R268-E272 VanDerWaalsContact O-N 3.1Å; L269-E272 PolarHBondContact O-N 3.28Å; E272-Q274 VanDerWaalsContact C-N 3.31Å; E272-Q274 PolarHBondContact O-N 3.32Å; E272-L275 PolarHBondContact O-N 2.82Å; E272-Q276 WeakPolarHBondContact O-CG 3.48Å; E272-Q276 PolarHBondContact O-N 2.73Å; E272-Q276 PolarHBondContact OE1-NE2 3.4Å
273A96.1Very high95.4Very high3 Ų367.5 Ų67.53%0.02535%0.347CS..Hα-helixtrans-62.5-37.3176.600000112.5L174 L269 Y270 Q276 G277 T278 N279L174-A273 HydrophobicContact CD1-CB 3.84Å; L174-A273 HydrophobicContact CD2-CB 4.19Å; L269-A273 WeakPolarHBondContact O-CB 3.41Å; L269-A273 PolarHBondContact O-N 3.13Å; Y270-A273 PolarHBondContact O-N 2.95Å; A273-Q276 CarbonylContact O-C 3.12Å; A273-Q276 PolarHBondContact O-N 3.35Å; A273-G277 PolarHBondContact O-N 2.96Å; A273-T278 WeakPolarHBondContact CA-OG1 3.36Å; A273-T278 PolarHBondContact O-N 2.97Å; A273-T278 PolarHBondContact O-OG1 3.44Å; A273-N279 HydrophobicContact CB-CB 4.08Å; A273-N279 PolarHBondContact O-N 3.34Å
274Q95.4Very high95Very high92 Ų9274.5 Ų74.543%0.4338%0.38SS..Hα-helixtrans-67-41.6177.1-175.6174.5-34.500112Y270 H271 E272 Q276 G277Y270-Q274 WeakPolarHBondContact O-CB 3.41Å; Y270-Q274 PolarHBondContact O-N 3.37Å; H271-Q274 PolarHBondContact O-N 3.35Å; E272-Q274 VanDerWaalsContact C-N 3.31Å; E272-Q274 PolarHBondContact O-N 3.32Å; Q274-Q276 VanDerWaalsContact C-N 3.28Å; Q274-Q276 PolarHBondContact O-N 2.9Å; Q274-G277 PolarHBondContact O-N 3.32Å
275L96.3Very high94.5Very high157 Ų15769.2 Ų69.282%0.82236%0.36SS*.Hα-helixtrans-63.9-35.1175-72.2171000112.1H271 E272 G277H271-L275 WeakPolarHBondContact O-CG 3.43Å; H271-L275 PolarHBondContact O-N 3.14Å; E272-L275 PolarHBondContact O-N 2.82Å; L275-G277 VanDerWaalsContact C-N 3.35Å
276Q96.8Very high93.2Very high120 Ų12074.5 Ų74.556%0.56139%0.388SS*.Hα-helixtrans-83.2-10.4177.8-66.5175.78.100113.4E272 A273 Q274 T278E272-Q276 WeakPolarHBondContact O-CG 3.48Å; E272-Q276 PolarHBondContact O-N 2.73Å; E272-Q276 PolarHBondContact OE1-NE2 3.4Å; A273-Q276 CarbonylContact O-C 3.12Å; A273-Q276 PolarHBondContact O-N 3.35Å; Q274-Q276 VanDerWaalsContact C-N 3.28Å; Q274-Q276 PolarHBondContact O-N 2.9Å; Q276-T278 HydrophobicContact CB-CG2 4.02Å; Q276-T278 PolarHBondContact O-N 3.46Å
277G95.1Very high93.1Very high60 Ų6078.3 Ų78.362%0.61941%0.407SS*.THydrogen-bonded Turntrans66.624.6-173.600000113.8A273 Q274 L275A273-G277 PolarHBondContact O-N 2.96Å; Q274-G277 PolarHBondContact O-N 3.32Å; L275-G277 VanDerWaalsContact C-N 3.35Å
278T95.3Very high92.9Very high84 Ų8480.4 Ų80.452%0.51542%0.418SS..  trans-103.53-178.656.90000113A273 Q276A273-T278 WeakPolarHBondContact CA-OG1 3.36Å; A273-T278 PolarHBondContact O-N 2.97Å; A273-T278 PolarHBondContact O-OG1 3.44Å; Q276-T278 HydrophobicContact CB-CG2 4.02Å; Q276-T278 PolarHBondContact O-N 3.46Å
279N93.7Very high92.7Very high42 Ų4275.8 Ų75.823%0.22541%0.408CS..  trans-67.2128.6177.962.8-63.9000111Y270 A273 C281Y270-N279 HydrophobicContact CE2-CB 4.16Å; A273-N279 HydrophobicContact CB-CB 4.08Å; A273-N279 PolarHBondContact O-N 3.34Å; N279-C281 VanDerWaalsContact C-N 3.29Å; N279-C281 PolarHBondContact ND2-O 3.41Å; N279-C281 PolarHBondContact O-N 3.38Å
280P94.6Very high92.6Very high68 Ų6879.4 Ų79.444%0.44243%0.427SS..SBendtrans-70.8-23.1-174.922.5-29.3000113.7L174 L175L174-P280 HydrophobicContact CB-CG 4Å; L174-P280 VanDerWaalsContact O-CG 3.31Å; L174-P280 WeakPolarHBondContact O-CG 3.43Å; L175-P280 HydrophobicContact CD1-CB 4.49Å
281C95.4Very high92.3Very high39 Ų3984.1 Ų84.126%0.26445%0.452SS..SBendtrans-152.5169.1172.4670000110.6C178 N279C178-C281 WeakPolarHBondContact CA-SG 3.29Å; C178-C281 HydrophobicContact CB-CB 3.77Å; C178-C281 WeakPolarHBondContact CB-SG 3.46Å; C178-C281 WeakPolarHBondContact SG-CB 3.49Å; C178-C281 PolarHBondContact SG-N 3.14Å; C178-C281 VanDerWaalsContact SG-N 3.37Å; C178-C281 CovalentContact SG-SG 2.02Å; C178-C281 PolarHBondContact SG-SG 3.36Å; N279-C281 VanDerWaalsContact C-N 3.29Å; N279-C281 PolarHBondContact ND2-O 3.41Å; N279-C281 PolarHBondContact O-N 3.38Å
282H93.7Very high92.1Very high136 Ų13684 Ų8463%0.6346%0.456SS*.  trans-89.6133.8171.5-174.264.9000110.7Y270Y270-H282 WeakPolarHBondContact OH-CA 3.04Å
283V91Very high91.7Very high12 Ų1282.8 Ų82.87%0.07346%0.455CS..  trans-129.8126.6178.6-174.60000106.6V177 Y208 Y270 T285V177-V283 HydrophobicContact CG1-CB 4.46Å; V177-V283 HydrophobicContact CG1-CG1 4.23Å; V177-V283 HydrophobicContact CG1-CG2 3.4Å; Y208-V283 HydrophobicContact CD1-CG1 3.76Å; Y208-V283 HydrophobicContact CE1-CG1 3.99Å; Y208-V283 HydrophobicContact CG-CG1 4.47Å; Y270-V283 HydrophobicContact CE1-CB 4.34Å; Y270-V283 HydrophobicContact CE2-CB 4.05Å; Y270-V283 HydrophobicContact CE2-CG2 3.88Å; Y270-V283 PolarHBondContact OH-N 3.35Å; Y270-V283 PolarHBondContact OH-O 3.43Å; V283-T285 HydrophobicContact CB-CG2 4.47Å; V283-T285 HydrophobicContact CG1-CG2 4.19Å; V283-T285 PolarHBondContact O-N 3.02Å
284E87.9Confident91.4Very high154 Ų15488.9 Ų88.972%0.7249%0.488SS*.  trans-72.693.4173.6-70.8-178.7178.800109Y208Y208-E284 VanDerWaalsContact CE1-O 3.31Å; Y208-E284 WeakPolarHBondContact CE1-O 3.35Å
285T83.8Confident91Very high30 Ų3088.7 Ų88.718%0.18449%0.493CS..  trans-92.1145.6171.555.10000109.9F266 L267 Y270 V283F266-T285 HydrophobicContact CE1-CG2 4.08Å; L267-T285 HydrophobicContact CD2-CG2 3.79Å; Y270-T285 HydrophobicContact CD1-CG2 3.76Å; Y270-T285 HydrophobicContact CE1-CG2 3.91Å; V283-T285 HydrophobicContact CB-CG2 4.47Å; V283-T285 HydrophobicContact CG1-CG2 4.19Å; V283-T285 PolarHBondContact O-N 3.02Å
286D69.1Low90.6Very high162 Ų16282.5 Ų82.587%0.86646%0.463SS*.  trans-58.10177.6-61-27.8000113.9R185R185-D286 IonicContact CZ-OD2 2.7Å; R185-D286 IonicContact NH1-OD2 3.46Å; R185-D286 PolarHBondContact NH1-OD2 2.78Å

Retrieved 286 of 286 residues in 266.5 ms (Link to these results)