A0A087Y6D1_POEFO Loading...

Interferon regulatory factor 5

AlphaFold DB , UniProt , Accession A0A087Y6D1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 498 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
1Q35.2Very low35.3Very low247 Ų247144.1 Ų144.1100%1.15482%0.815SS**  0126.80-76.7170.612.700107.2
2S34.1Very low36.3Very low112 Ų112141.8 Ų141.878%0.78381%0.81SS**  trans-67.3125.1-163.437.40000114.3Q4S2-Q4 PolarHBondContact O-N 3.41Å
3S34.2Very low37.8Very low122 Ų122147.8 Ų147.885%0.85381%0.812SS**  trans-73.8113.4164.2-58.60000109.2C5S3-C5 PolarHBondContact O-N 3.33Å
4Q34.7Very low39.9Very low181 Ų181155.4 Ų155.485%0.84682%0.822SS**  trans-68.6116.5176.8-67.3176.113.900109.5S2S2-Q4 PolarHBondContact O-N 3.41Å
5C33.8Very low42.7Very low124 Ų124148.8 Ų148.884%0.83879%0.787SS**  trans-87.4106.3167.2-149.50000107S3 T7S3-C5 PolarHBondContact O-N 3.33Å; C5-T7 PolarHBondContact O-N 3.09Å; C5-T7 VanDerWaalsContact O-N 3.09Å
6S31.9Very low45.6Very low101 Ų101149.7 Ų149.771%0.70678%0.776SS**  trans-66.8103.8175.9-60.40000109.7M8S6-M8 PolarHBondContact O-N 3.2Å
7T36.3Very low48.3Very low140 Ų140141.9 Ų141.986%0.85974%0.736SS**  trans-66.894.5165.232.10000108.7C5 S9C5-T7 PolarHBondContact O-N 3.09Å; C5-T7 VanDerWaalsContact O-N 3.09Å; T7-S9 PolarHBondContact O-N 3Å
8M32.7Very low50.7Low167 Ų167135.8 Ų135.882%0.82370%0.702SS**  trans-64.1117.1169.1-72.8-154.9171.600108.9S6 I10S6-M8 PolarHBondContact O-N 3.2Å; M8-I10 PolarHBondContact O-N 3.26Å
9S33.2Very low52.8Low91 Ų91132.3 Ų132.364%0.63669%0.689SS**  trans-67.7102.7170.161.70000109.1T7 H11T7-S9 PolarHBondContact O-N 3Å; S9-H11 VanDerWaalsContact C-N 3.3Å; S9-H11 PolarHBondContact O-N 3.05Å; S9-H11 PolarHBondContact O-ND1 3.04Å; S9-H11 PolarHBondContact OG-CE1 3.44Å; S9-H11 VanDerWaalsContact OG-CE1 3.26Å
10I42.3Very low54.9Low158 Ų158126.6 Ų126.681%0.8166%0.658SS**  trans-7192.2174.1-56.5173.1000106.9M8M8-I10 PolarHBondContact O-N 3.26Å
11H39.8Very low56.8Low142 Ų142120.6 Ų120.666%0.65763%0.627SS**  trans-63.2128164.4-66.369.2000107.3S9 R13S9-H11 VanDerWaalsContact C-N 3.3Å; S9-H11 PolarHBondContact O-N 3.05Å; S9-H11 PolarHBondContact O-ND1 3.04Å; S9-H11 PolarHBondContact OG-CE1 3.44Å; S9-H11 VanDerWaalsContact OG-CE1 3.26Å; H11-R13 PolarHBondContact O-N 2.91Å
12P47.7Very low59.5Low116 Ų116110.5 Ų110.575%0.75358%0.581SS**  trans-63.1110.2-178.122.6-30.5000109.1R14P12-R14 PolarHBondContact O-N 3.41Å
13R55.6Low62.3Low221 Ų221107.6 Ų107.683%0.83456%0.564SS**  trans-58.7131.7174.1-70.9-178.6176.1168.8-0.6107.7H11 I15H11-R13 PolarHBondContact O-N 2.91Å; R13-I15 HydrophobicContact CB-CG1 4.47Å; R13-I15 WeakPolarHBondContact O-CG1 3.21Å; R13-I15 PolarHBondContact O-N 2.95Å
14R67Low65.2Low253 Ų253102.5 Ų102.596%0.95553%0.526SS*.  trans-68.9101.8171.6-76.7-170.2179-154.91.5109P12P12-R14 PolarHBondContact O-N 3.41Å
15I82.5Confident67.9Low57 Ų5794.2 Ų94.229%0.29249%0.488SS..  trans-85.1126.2-175.9-67.5162.5000109.8R13 W20 W67 E70R13-I15 HydrophobicContact CB-CG1 4.47Å; R13-I15 WeakPolarHBondContact O-CG1 3.21Å; R13-I15 PolarHBondContact O-N 2.95Å; I15-W20 HydrophobicContact CG2-CB 3.92Å; I15-W20 HydrophobicContact CG2-CG 4.15Å; I15-W67 HydrophobicContact CG2-CZ3 4.15Å; I15-E70 HydrophobicContact CD1-CG 3.53Å; I15-E70 WeakPolarHBondContact CD1-O 3.47Å; I15-E70 WeakPolarHBondContact CD1-OE1 3.47Å; I15-E70 HydrophobicContact CG2-CG 4.11Å
16R88.6Confident70.7Confident163 Ų16392.7 Ų92.762%0.61547%0.472SS*.  trans-80.3131.2176.7-68.5-17664.6-171.1-3.4109.6P19 W20 E99R16-P19 HydrophobicContact CB-CG 3.66Å; R16-P19 WeakPolarHBondContact O-CD 3.42Å; R16-P19 WeakPolarHBondContact O-CG 3.44Å; R16-W20 WeakPolarHBondContact O-CB 3.41Å; R16-W20 PolarHBondContact O-N 2.73Å; R16-E99 IonicContact NH2-OE1 3.82Å; R16-E99 PolarHBondContact NH2-OE1 3.42Å
17L91.7Very high73.5Confident18 Ų1890.1 Ų90.19%0.09445%0.454CS..Hα-helixtrans-61.5-47.4-176.3-178.770.3000113W20 L21 W67 L90 A93 L94 F100L17-W20 PolarHBondContact O-N 3.14Å; L17-L21 VanDerWaalsContact O-CB 3.3Å; L17-L21 WeakPolarHBondContact O-CB 3.09Å; L17-L21 PolarHBondContact O-N 3.25Å; L17-W67 HydrophobicContact CB-CH2 4Å; L17-W67 HydrophobicContact CB-CZ2 4.42Å; L17-W67 HydrophobicContact CD1-CD2 4.19Å; L17-W67 HydrophobicContact CD1-CE3 4.15Å; L17-W67 HydrophobicContact CD1-CH2 3.55Å; L17-W67 HydrophobicContact CD1-CZ2 3.58Å; L17-W67 HydrophobicContact CD1-CZ3 3.84Å; L17-W67 HydrophobicContact CG-CH2 4.39Å; L17-L90 HydrophobicContact CD1-CD1 3.83Å; L17-A93 HydrophobicContact CD1-CB 4.18Å; L17-A93 VanDerWaalsContact CD2-C 3.42Å; L17-A93 HydrophobicContact CD2-CB 3.77Å; L17-A93 WeakPolarHBondContact CD2-O 3.13Å; L17-L94 HydrophobicContact CD2-CD2 4.22Å; L17-L94 HydrophobicContact CD2-CG 4.42Å; L17-F100 HydrophobicContact CD2-CD2 4.14Å; L17-F100 HydrophobicContact CD2-CE2 3.93Å; L17-F100 HydrophobicContact CG-CE2 3.96Å
18K91.5Very high75.9Confident31 Ų3186.3 Ų86.314%0.13544%0.442CS..Hα-helixtrans-55.3-61.6-177-176.4-173.3-169.4166.40113.2W20 L21 L22 E99 F100 V120 C121 D122K18-W20 VanDerWaalsContact C-N 3.28Å; K18-W20 PolarHBondContact O-N 2.98Å; K18-L21 PolarHBondContact O-N 2.77Å; K18-L22 HydrophobicContact CG-CD1 3.96Å; K18-L22 HydrophobicContact CG-CG 4.45Å; K18-L22 VanDerWaalsContact O-CG 3.27Å; K18-L22 WeakPolarHBondContact O-CG 3.41Å; K18-L22 PolarHBondContact O-N 3.37Å; K18-L22 VanDerWaalsContact O-N 3.13Å; K18-E99 HydrophobicContact CB-CB 4.18Å; K18-E99 HydrophobicContact CB-CG 4.44Å; K18-E99 WeakPolarHBondContact CB-OE2 3.4Å; K18-E99 HydrophobicContact CD-CB 3.81Å; K18-E99 VanDerWaalsContact CD-CD 3.5Å; K18-E99 HydrophobicContact CD-CG 3.96Å; K18-E99 VanDerWaalsContact CD-OE1 3.3Å; K18-E99 WeakPolarHBondContact CD-OE1 3.38Å; K18-E99 HydrophobicContact CG-CB 4.22Å; K18-F100 HydrophobicContact CB-CE2 4.14Å; K18-F100 HydrophobicContact CB-CZ 4.08Å; K18-F100 HydrophobicContact CG-CZ 4.15Å; K18-V120 VanDerWaalsContact CE-CG1 3.45Å; K18-C121 PolarHBondContact NZ-O 3Å; K18-D122 IonicContact NZ-OD1 3.33Å; K18-D122 PolarHBondContact NZ-OD1 2.95Å
19P91.3Very high78.4Confident70 Ų7085.7 Ų85.746%0.45543%0.431SS..Hα-helixtrans-62.1-36.5-176.823.8-33.9000112.5R16 A23R16-P19 HydrophobicContact CB-CG 3.66Å; R16-P19 WeakPolarHBondContact O-CD 3.42Å; R16-P19 WeakPolarHBondContact O-CG 3.44Å; P19-A23 WeakPolarHBondContact O-CB 3.43Å; P19-A23 PolarHBondContact O-N 3.12Å; P19-A23 VanDerWaalsContact O-N 3.15Å
20W94.2Very high81.1Confident18 Ų1882.6 Ų82.67%0.06841%0.405CS..Hα-helixtrans-66.3-50.5178.4179.586.4000112.2I15 R16 L17 K18 L22 A23 Q24 I63 A66 W67 E70I15-W20 HydrophobicContact CG2-CB 3.92Å; I15-W20 HydrophobicContact CG2-CG 4.15Å; R16-W20 WeakPolarHBondContact O-CB 3.41Å; R16-W20 PolarHBondContact O-N 2.73Å; L17-W20 PolarHBondContact O-N 3.14Å; K18-W20 VanDerWaalsContact C-N 3.28Å; K18-W20 PolarHBondContact O-N 2.98Å; W20-L22 VanDerWaalsContact C-N 3.33Å; W20-L22 PolarHBondContact O-N 3.04Å; W20-A23 WeakPolarHBondContact O-CB 3.36Å; W20-A23 PolarHBondContact O-N 3.29Å; W20-Q24 HydrophobicContact CD2-CG 3.92Å; W20-Q24 HydrophobicContact CE3-CG 4.1Å; W20-Q24 HydrophobicContact CH2-CG 3.83Å; W20-Q24 HydrophobicContact CZ2-CG 3.64Å; W20-Q24 HydrophobicContact CZ3-CG 4.05Å; W20-Q24 WeakPolarHBondContact O-CG 3.42Å; W20-Q24 PolarHBondContact O-N 2.96Å; W20-I63 HydrophobicContact CH2-CD1 3.51Å; W20-I63 HydrophobicContact CH2-CG1 4.23Å; W20-I63 HydrophobicContact CZ2-CD1 4.41Å; W20-I63 HydrophobicContact CZ3-CD1 3.82Å; W20-I63 HydrophobicContact CZ3-CG1 4.33Å; W20-A66 HydrophobicContact CH2-CB 4.21Å; W20-A66 HydrophobicContact CZ2-CB 4.06Å; W20-W67 HydrophobicContact CB-CZ3 4.35Å; W20-W67 AromaticContact CD2-CE3 3.63Å; W20-W67 HydrophobicContact CD2-CE3 3.63Å; W20-W67 AromaticContact CD2-CZ3 3.81Å; W20-W67 HydrophobicContact CD2-CZ3 3.81Å; W20-W67 HydrophobicContact CE3-CD2 4.27Å; W20-W67 AromaticContact CE3-CE3 3.26Å; W20-W67 HydrophobicContact CE3-CE3 3.26Å; W20-W67 AromaticContact CE3-CZ3 3.62Å; W20-W67 HydrophobicContact CE3-CZ3 3.62Å; W20-W67 HydrophobicContact CG-CE3 4.4Å; W20-W67 HydrophobicContact CG-CZ3 4.13Å; W20-W67 VanDerWaalsContact CH2-CA 3.43Å; W20-W67 HydrophobicContact CH2-CB 3.55Å; W20-W67 HydrophobicContact CH2-CD2 4.37Å; W20-W67 AromaticContact CH2-CE3 3.81Å; W20-W67 HydrophobicContact CH2-CE3 3.81Å; W20-W67 HydrophobicContact CH2-CG 4.34Å; W20-W67 HydrophobicContact CZ2-CB 4.34Å; W20-W67 HydrophobicContact CZ2-CE3 4.12Å; W20-W67 HydrophobicContact CZ3-CB 3.88Å; W20-W67 HydrophobicContact CZ3-CD2 4.01Å; W20-W67 AromaticContact CZ3-CE3 3.37Å; W20-W67 HydrophobicContact CZ3-CE3 3.37Å; W20-W67 HydrophobicContact CZ3-CG 4.27Å; W20-W67 HydrophobicContact CZ3-CZ3 4.2Å; W20-E70 VanDerWaalsContact CD1-CD 3.47Å; W20-E70 VanDerWaalsContact CD1-CG 3.49Å; W20-E70 HydrophobicContact CD2-CG 4.45Å; W20-E70 HydrophobicContact CG-CG 4.28Å; W20-E70 HydrophobicContact CZ2-CB 4.05Å; W20-E70 HydrophobicContact CZ2-CG 4.39Å; W20-E70 PolarHBondContact NE1-OE2 2.76Å
21L94.3Very high83.1Confident0 Ų079.6 Ų79.60%040%0.396CS..Hα-helixtrans-64.8-40.2-175.5-176.360000111.2L17 K18 A23 Q24 V25 F43 I63 L94 F100L17-L21 VanDerWaalsContact O-CB 3.3Å; L17-L21 WeakPolarHBondContact O-CB 3.09Å; L17-L21 PolarHBondContact O-N 3.25Å; K18-L21 PolarHBondContact O-N 2.77Å; L21-A23 PolarHBondContact O-N 2.81Å; L21-Q24 WeakPolarHBondContact O-CB 3.39Å; L21-Q24 PolarHBondContact O-N 3.32Å; L21-Q24 VanDerWaalsContact O-N 3.13Å; L21-V25 WeakPolarHBondContact O-CG2 3.47Å; L21-V25 PolarHBondContact O-N 3.19Å; L21-F43 HydrophobicContact CD2-CE2 3.86Å; L21-F43 HydrophobicContact CD2-CZ 3.73Å; L21-F43 HydrophobicContact CG-CE2 4.18Å; L21-F43 HydrophobicContact CG-CZ 4.3Å; L21-I63 HydrophobicContact CD1-CD1 4.12Å; L21-I63 HydrophobicContact CD1-CG1 3.93Å; L21-L94 HydrophobicContact CD2-CD2 3.67Å; L21-F100 HydrophobicContact CB-CZ 4.21Å; L21-F100 HydrophobicContact CD2-CE1 4.19Å; L21-F100 HydrophobicContact CD2-CE2 4.21Å; L21-F100 HydrophobicContact CD2-CZ 3.82Å; L21-F100 HydrophobicContact CG-CZ 4.46Å
22L93.2Very high85.3Confident35 Ų3574.2 Ų74.218%0.18338%0.379CS..Hα-helixtrans-63.5-40.3175.7-63.6-175.3000112.2K18 W20 Q24 V25 N26 W35 F100 V120K18-L22 HydrophobicContact CG-CD1 3.96Å; K18-L22 HydrophobicContact CG-CG 4.45Å; K18-L22 VanDerWaalsContact O-CG 3.27Å; K18-L22 WeakPolarHBondContact O-CG 3.41Å; K18-L22 PolarHBondContact O-N 3.37Å; K18-L22 VanDerWaalsContact O-N 3.13Å; W20-L22 VanDerWaalsContact C-N 3.33Å; W20-L22 PolarHBondContact O-N 3.04Å; L22-Q24 VanDerWaalsContact C-N 3.27Å; L22-Q24 PolarHBondContact O-N 3.3Å; L22-V25 PolarHBondContact O-N 3.22Å; L22-N26 WeakPolarHBondContact O-CB 3.3Å; L22-N26 VanDerWaalsContact O-CG 3.29Å; L22-N26 PolarHBondContact O-N 2.79Å; L22-N26 PolarHBondContact O-ND2 3.37Å; L22-W35 HydrophobicContact CD2-CH2 3.55Å; L22-W35 HydrophobicContact CD2-CZ2 3.84Å; L22-F100 HydrophobicContact CD2-CE1 4.34Å; L22-V120 HydrophobicContact CD1-CG1 4.33Å; L22-V120 HydrophobicContact CD2-CG2 3.73Å
23A92.4Very high87.4Confident51 Ų5169 Ų6942%0.42134%0.344SS..Hα-helixtrans-60.7-38.717300000111.6P19 W20 L21 N26 S27P19-A23 WeakPolarHBondContact O-CB 3.43Å; P19-A23 PolarHBondContact O-N 3.12Å; P19-A23 VanDerWaalsContact O-N 3.15Å; W20-A23 WeakPolarHBondContact O-CB 3.36Å; W20-A23 PolarHBondContact O-N 3.29Å; L21-A23 PolarHBondContact O-N 2.81Å; A23-N26 PolarHBondContact O-N 2.89Å; A23-S27 WeakPolarHBondContact O-CB 3.48Å; A23-S27 PolarHBondContact O-N 3.35Å
24Q93.9Very high89.2Confident16 Ų1663.1 Ų63.18%0.07533%0.327CS..Hα-helixtrans-68.1-39.8176.1-59.4-39.1-41.900113W20 L21 L22 N26 S27 Y30 L33 I63W20-Q24 HydrophobicContact CD2-CG 3.92Å; W20-Q24 HydrophobicContact CE3-CG 4.1Å; W20-Q24 HydrophobicContact CH2-CG 3.83Å; W20-Q24 HydrophobicContact CZ2-CG 3.64Å; W20-Q24 HydrophobicContact CZ3-CG 4.05Å; W20-Q24 WeakPolarHBondContact O-CG 3.42Å; W20-Q24 PolarHBondContact O-N 2.96Å; L21-Q24 WeakPolarHBondContact O-CB 3.39Å; L21-Q24 PolarHBondContact O-N 3.32Å; L21-Q24 VanDerWaalsContact O-N 3.13Å; L22-Q24 VanDerWaalsContact C-N 3.27Å; L22-Q24 PolarHBondContact O-N 3.3Å; Q24-N26 VanDerWaalsContact C-N 3.34Å; Q24-S27 PolarHBondContact O-N 2.78Å; Q24-S27 PolarHBondContact O-OG 3.29Å; Q24-Y30 HydrophobicContact CB-CD2 4.21Å; Q24-Y30 HydrophobicContact CB-CE2 3.84Å; Q24-Y30 HydrophobicContact CG-CE2 4.09Å; Q24-L33 HydrophobicContact CB-CD2 4.16Å; Q24-I63 HydrophobicContact CB-CD1 3.5Å; Q24-I63 HydrophobicContact CG-CD1 3.69Å
25V93.2Very high90.5Very high6 Ų653.3 Ų53.34%0.03629%0.29CS..Hα-helixtrans-62.2-44.1174.1-178.50000110.3L21 L22 S27 G28 L33 W35 F43L21-V25 WeakPolarHBondContact O-CG2 3.47Å; L21-V25 PolarHBondContact O-N 3.19Å; L22-V25 PolarHBondContact O-N 3.22Å; V25-S27 VanDerWaalsContact C-N 3.26Å; V25-S27 PolarHBondContact O-N 3.3Å; V25-G28 PolarHBondContact O-N 3.36Å; V25-L33 HydrophobicContact CB-CG 4.43Å; V25-L33 HydrophobicContact CG2-CD1 3.83Å; V25-L33 HydrophobicContact CG2-CD2 4.07Å; V25-L33 HydrophobicContact CG2-CG 3.87Å; V25-W35 HydrophobicContact CB-CZ2 4.42Å; V25-W35 HydrophobicContact CG1-CD2 3.83Å; V25-W35 HydrophobicContact CG1-CG 3.93Å; V25-W35 HydrophobicContact CG1-CZ2 4.12Å; V25-F43 HydrophobicContact CG1-CB 3.93Å; V25-F43 HydrophobicContact CG2-CB 4.27Å; V25-F43 HydrophobicContact CG2-CD2 3.62Å; V25-F43 HydrophobicContact CG2-CE2 4.11Å; V25-F43 HydrophobicContact CG2-CG 4Å
26N91.4Very high90.7Very high93 Ų9354.1 Ų54.150%0.49729%0.294SS..Hα-helixtrans-66.3-27.5177.6-71.8-19.8000113.3L22 A23 Q24 G28 W35L22-N26 WeakPolarHBondContact O-CB 3.3Å; L22-N26 VanDerWaalsContact O-CG 3.29Å; L22-N26 PolarHBondContact O-N 2.79Å; L22-N26 PolarHBondContact O-ND2 3.37Å; A23-N26 PolarHBondContact O-N 2.89Å; Q24-N26 VanDerWaalsContact C-N 3.34Å; N26-G28 PolarHBondContact O-N 2.7Å; N26-W35 PolarHBondContact OD1-NE1 3.2Å
27S90.7Very high90.3Very high47 Ų4748.4 Ų48.433%0.32929%0.286SS..Hα-helixtrans-69.5-21.7-178.678.30000113.6A23 Q24 V25 R29A23-S27 WeakPolarHBondContact O-CB 3.48Å; A23-S27 PolarHBondContact O-N 3.35Å; Q24-S27 PolarHBondContact O-N 2.78Å; Q24-S27 PolarHBondContact O-OG 3.29Å; V25-S27 VanDerWaalsContact C-N 3.26Å; V25-S27 PolarHBondContact O-N 3.3Å; S27-R29 PolarHBondContact O-N 2.96Å; S27-R29 WeakPolarHBondContact OG-CG 3.39Å; S27-R29 PolarHBondContact OG-N 2.99Å; S27-R29 PolarHBondContact OG-NE 3.34Å
28G87.3Confident89.6Confident60 Ų6053 Ų5362%0.61932%0.32SS*.THydrogen-bonded Turntrans61.79.9-176.200000114.8V25 N26 Y30V25-G28 PolarHBondContact O-N 3.36Å; N26-G28 PolarHBondContact O-N 2.7Å; G28-Y30 PolarHBondContact O-N 2.89Å
29R85.8Confident88.8Confident153 Ų15358.7 Ų58.758%0.57735%0.347SS*.  trans-75.7-20.5-172.5-66.7-171.6-61.4161.40.4114.4S27S27-R29 PolarHBondContact O-N 2.96Å; S27-R29 WeakPolarHBondContact OG-CG 3.39Å; S27-R29 PolarHBondContact OG-N 2.99Å; S27-R29 PolarHBondContact OG-NE 3.34Å
30Y88.4Confident88.5Confident26 Ų2660.5 Ų60.510%0.10235%0.349CS..SBendtrans-106.9115.6-174.4-55.9-77000109.7Q24 G28 G32 L33 N61 I63 A66Q24-Y30 HydrophobicContact CB-CD2 4.21Å; Q24-Y30 HydrophobicContact CB-CE2 3.84Å; Q24-Y30 HydrophobicContact CG-CE2 4.09Å; G28-Y30 PolarHBondContact O-N 2.89Å; Y30-G32 PolarHBondContact O-N 3.49Å; Y30-G32 VanDerWaalsContact O-N 3.17Å; Y30-L33 HydrophobicContact CD2-CD2 3.76Å; Y30-L33 HydrophobicContact CG-CD2 4.26Å; Y30-L33 WeakPolarHBondContact O-CB 3.43Å; Y30-L33 PolarHBondContact O-N 2.83Å; Y30-N61 WeakPolarHBondContact CD1-O 3.5Å; Y30-I63 HydrophobicContact CD2-CD1 3.9Å; Y30-I63 HydrophobicContact CE2-CD1 3.84Å; Y30-I63 HydrophobicContact CG-CB 4.34Å; Y30-I63 HydrophobicContact CG-CD1 4.42Å; Y30-A66 HydrophobicContact CE1-CB 3.73Å; Y30-A66 WeakPolarHBondContact OH-CB 3.45Å
31P84.9Confident88.2Confident96 Ų9666.1 Ų66.162%0.62337%0.37SS*.THydrogen-bonded Turntrans-55122.3-177-27.735.1000112L33 P46P31-L33 VanDerWaalsContact C-N 3.32Å; P31-L33 PolarHBondContact O-N 3.47Å; P31-P46 VanDerWaalsContact O-CG 3.31Å; P31-P46 WeakPolarHBondContact O-CG 3.21Å
32G85.6Confident88Confident28 Ų2869.3 Ų69.329%0.28939%0.387SS..THydrogen-bonded Turntrans81.5-2.4179.600000115.5Y30 Q34 Q44 P46Y30-G32 PolarHBondContact O-N 3.49Å; Y30-G32 VanDerWaalsContact O-N 3.17Å; G32-Q34 PolarHBondContact O-N 3.39Å; G32-Q44 WeakPolarHBondContact O-CG 2.84Å; G32-Q44 PolarHBondContact O-NE2 3.11Å; G32-P46 WeakPolarHBondContact O-CD 3.26Å; G32-P46 WeakPolarHBondContact O-CG 3.18Å
33L92.4Very high88.1Confident6 Ų667.6 Ų67.63%0.03138%0.378CS..  trans-84.8103.3165.5-178.273.3000108.7Q24 V25 Y30 P31 F43 Q44 I45 I63Q24-L33 HydrophobicContact CB-CD2 4.16Å; V25-L33 HydrophobicContact CB-CG 4.43Å; V25-L33 HydrophobicContact CG2-CD1 3.83Å; V25-L33 HydrophobicContact CG2-CD2 4.07Å; V25-L33 HydrophobicContact CG2-CG 3.87Å; Y30-L33 HydrophobicContact CD2-CD2 3.76Å; Y30-L33 HydrophobicContact CG-CD2 4.26Å; Y30-L33 WeakPolarHBondContact O-CB 3.43Å; Y30-L33 PolarHBondContact O-N 2.83Å; P31-L33 VanDerWaalsContact C-N 3.32Å; P31-L33 PolarHBondContact O-N 3.47Å; L33-F43 HydrophobicContact CD1-CD2 4.27Å; L33-Q44 WeakPolarHBondContact CA-O 3.43Å; L33-Q44 WeakPolarHBondContact CD1-O 3.34Å; L33-I45 HydrophobicContact CD1-CB 4.4Å; L33-I45 HydrophobicContact CD1-CG1 3.83Å; L33-I45 HydrophobicContact CD1-CG2 4.49Å; L33-I63 HydrophobicContact CD2-CB 4.33Å; L33-I63 HydrophobicContact CD2-CD1 3.83Å; L33-I63 HydrophobicContact CD2-CG1 4.04Å
34Q93.3Very high88.1Confident99 Ų9966.8 Ų66.846%0.46337%0.366SS..EExtended strand (participates in β ladder)trans-152.3158.2-174.466.2-1743500112.7G32 F43 Q44G32-Q34 PolarHBondContact O-N 3.39Å; Q34-F43 CarbonylContact O-C 3.55Å; Q34-F43 VanDerWaalsContact O-CA 3.27Å; Q34-F43 WeakPolarHBondContact O-CA 3.03Å; Q34-F43 WeakPolarHBondContact O-CB 3.29Å; Q34-Q44 HydrophobicContact CG-CG 3.58Å; Q34-Q44 PolarHBondContact N-O 3.12Å; Q34-Q44 WeakPolarHBondContact O-CG 3.36Å; Q34-Q44 PolarHBondContact O-N 2.86Å
35W94.2Very high88.1Confident47 Ų4766 Ų6618%0.17836%0.362CS..EExtended strand (participates in β ladder)trans-69.4143.8168-65.6111.8000111.2L22 V25 N26 Q40 L42 F43 V120L22-W35 HydrophobicContact CD2-CH2 3.55Å; L22-W35 HydrophobicContact CD2-CZ2 3.84Å; V25-W35 HydrophobicContact CB-CZ2 4.42Å; V25-W35 HydrophobicContact CG1-CD2 3.83Å; V25-W35 HydrophobicContact CG1-CG 3.93Å; V25-W35 HydrophobicContact CG1-CZ2 4.12Å; N26-W35 PolarHBondContact OD1-NE1 3.2Å; W35-Q40 HydrophobicContact CD2-CB 3.91Å; W35-Q40 HydrophobicContact CD2-CG 4.08Å; W35-Q40 VanDerWaalsContact CE3-C 3.44Å; W35-Q40 VanDerWaalsContact CE3-CA 3.46Å; W35-Q40 HydrophobicContact CE3-CB 4.04Å; W35-Q40 HydrophobicContact CG-CB 4.46Å; W35-Q40 HydrophobicContact CG-CG 4.12Å; W35-Q40 HydrophobicContact CH2-CB 4.19Å; W35-Q40 WeakPolarHBondContact CH2-O 3.38Å; W35-Q40 HydrophobicContact CZ2-CB 4.05Å; W35-Q40 HydrophobicContact CZ3-CB 4.21Å; W35-Q40 WeakPolarHBondContact CZ3-O 3.23Å; W35-L42 VanDerWaalsContact CE3-O 3.3Å; W35-F43 HydrophobicContact CD2-CB 4.15Å; W35-F43 HydrophobicContact CE3-CB 3.66Å; W35-F43 HydrophobicContact CE3-CD1 4.46Å; W35-F43 HydrophobicContact CH2-CD1 4.17Å; W35-F43 HydrophobicContact CZ3-CB 3.86Å; W35-F43 AromaticContact CZ3-CD1 3.79Å; W35-F43 HydrophobicContact CZ3-CD1 3.79Å; W35-F43 HydrophobicContact CZ3-CG 4.25Å; W35-V120 HydrophobicContact CH2-CG2 3.89Å; W35-V120 HydrophobicContact CZ3-CG2 4.07Å
36L87.3Confident87.9Confident73 Ų7367.3 Ų67.338%0.38237%0.37SS..SBendtrans-100.44.4179.8-66.9-178.2000113.9L42 Q44 I117L36-L42 HydrophobicContact CB-CB 4.29Å; L36-L42 PolarHBondContact N-O 3.32Å; L36-Q44 HydrophobicContact CD1-CB 4.21Å; L36-Q44 HydrophobicContact CD2-CB 4.23Å; L36-Q44 HydrophobicContact CD2-CG 3.92Å; L36-Q44 HydrophobicContact CG-CB 4.27Å; L36-Q44 HydrophobicContact CG-CG 4.33Å; L36-I117 HydrophobicContact CD1-CB 4.24Å; L36-I117 HydrophobicContact CD1-CD1 3.43Å; L36-I117 VanDerWaalsContact CD1-CD1 3.43Å; L36-I117 HydrophobicContact CD1-CG1 3.62Å; L36-I117 HydrophobicContact CD1-CG2 3.65Å
37G79.8Confident87.7Confident43 Ų4363.6 Ų63.644%0.44335%0.35SS..SBendtrans-170162.9176.700000111.8E39 Q40G37-E39 PolarHBondContact O-N 2.56Å; G37-Q40 PolarHBondContact O-N 3.48Å
38S75.9Confident87.1Confident116 Ų11665 Ų6581%0.81135%0.349SS*.THydrogen-bonded Turntrans-62.4-23.6-176.8-51.60000113.7Q40S38-Q40 PolarHBondContact O-N 2.83Å
39E76.1Confident86.3Confident150 Ų15066.3 Ų66.370%0.70134%0.339SS*.THydrogen-bonded Turntrans-72.6-7.9-178.4-59.2-59.6118.900114G37 R41G37-E39 PolarHBondContact O-N 2.56Å; E39-R41 HydrophobicContact CB-CG 4.14Å; E39-R41 WeakPolarHBondContact O-CG 3.35Å; E39-R41 PolarHBondContact O-N 3.17Å; E39-R41 VanDerWaalsContact O-N 3.09Å
40Q84.2Confident84.9Confident107 Ų10761.7 Ų61.750%0.533%0.334SS..SBendtrans48.338.9-178.2-60.1-177.51900113.8W35 G37 S38W35-Q40 HydrophobicContact CD2-CB 3.91Å; W35-Q40 HydrophobicContact CD2-CG 4.08Å; W35-Q40 VanDerWaalsContact CE3-C 3.44Å; W35-Q40 VanDerWaalsContact CE3-CA 3.46Å; W35-Q40 HydrophobicContact CE3-CB 4.04Å; W35-Q40 HydrophobicContact CG-CB 4.46Å; W35-Q40 HydrophobicContact CG-CG 4.12Å; W35-Q40 HydrophobicContact CH2-CB 4.19Å; W35-Q40 WeakPolarHBondContact CH2-O 3.38Å; W35-Q40 HydrophobicContact CZ2-CB 4.05Å; W35-Q40 HydrophobicContact CZ3-CB 4.21Å; W35-Q40 WeakPolarHBondContact CZ3-O 3.23Å; G37-Q40 PolarHBondContact O-N 3.48Å; S38-Q40 PolarHBondContact O-N 2.83Å
41R87.2Confident83.4Confident136 Ų13666.3 Ų66.351%0.51337%0.365SS..  trans-102.8-30.4175.6-62.3-176110.1149.74.7113.1E39 E119 V120E39-R41 HydrophobicContact CB-CG 4.14Å; E39-R41 WeakPolarHBondContact O-CG 3.35Å; E39-R41 PolarHBondContact O-N 3.17Å; E39-R41 VanDerWaalsContact O-N 3.09Å; R41-E119 CarbonylContact O-C 3.55Å; R41-E119 VanDerWaalsContact O-CA 3.3Å; R41-E119 WeakPolarHBondContact O-CA 3.43Å; R41-V120 PolarHBondContact O-N 3.01Å
42L91.4Very high82.2Confident67 Ų6769 Ų6935%0.35136%0.363SS..EExtended strand (participates in β ladder)trans-118.4123.4-177.2-63175.1000110.2W35 L36 R103 I117 Y118 E119W35-L42 VanDerWaalsContact CE3-O 3.3Å; L36-L42 HydrophobicContact CB-CB 4.29Å; L36-L42 PolarHBondContact N-O 3.32Å; L42-R103 HydrophobicContact CD2-CG 3.99Å; L42-I117 HydrophobicContact CB-CG2 4.27Å; L42-I117 HydrophobicContact CD2-CG2 4.32Å; L42-Y118 WeakPolarHBondContact CA-O 3.44Å; L42-E119 HydrophobicContact CD2-CB 3.59Å; L42-E119 HydrophobicContact CD2-CG 3.99Å
43F93.9Very high80.5Confident0 Ų076.9 Ų76.90%039%0.392CS..EExtended strand (participates in β ladder)trans-126.3149173.666.1-79.3000111L21 V25 L33 Q34 W35 I45 F100 I117 Y118 V120L21-F43 HydrophobicContact CD2-CE2 3.86Å; L21-F43 HydrophobicContact CD2-CZ 3.73Å; L21-F43 HydrophobicContact CG-CE2 4.18Å; L21-F43 HydrophobicContact CG-CZ 4.3Å; V25-F43 HydrophobicContact CG1-CB 3.93Å; V25-F43 HydrophobicContact CG2-CB 4.27Å; V25-F43 HydrophobicContact CG2-CD2 3.62Å; V25-F43 HydrophobicContact CG2-CE2 4.11Å; V25-F43 HydrophobicContact CG2-CG 4Å; L33-F43 HydrophobicContact CD1-CD2 4.27Å; Q34-F43 CarbonylContact O-C 3.55Å; Q34-F43 VanDerWaalsContact O-CA 3.27Å; Q34-F43 WeakPolarHBondContact O-CA 3.03Å; Q34-F43 WeakPolarHBondContact O-CB 3.29Å; W35-F43 HydrophobicContact CD2-CB 4.15Å; W35-F43 HydrophobicContact CE3-CB 3.66Å; W35-F43 HydrophobicContact CE3-CD1 4.46Å; W35-F43 HydrophobicContact CH2-CD1 4.17Å; W35-F43 HydrophobicContact CZ3-CB 3.86Å; W35-F43 AromaticContact CZ3-CD1 3.79Å; W35-F43 HydrophobicContact CZ3-CD1 3.79Å; W35-F43 HydrophobicContact CZ3-CG 4.25Å; F43-I45 HydrophobicContact CD2-CD1 4.49Å; F43-I45 HydrophobicContact CD2-CG1 3.96Å; F43-I45 HydrophobicContact CE2-CD1 3.75Å; F43-I45 HydrophobicContact CE2-CG1 3.72Å; F43-F100 AromaticContact CE1-CD1 3.81Å; F43-F100 HydrophobicContact CE1-CD1 3.81Å; F43-F100 AromaticContact CE1-CE1 3.71Å; F43-F100 HydrophobicContact CE1-CE1 3.71Å; F43-F100 AromaticContact CZ-CD1 3.85Å; F43-F100 HydrophobicContact CZ-CD1 3.85Å; F43-F100 AromaticContact CZ-CE1 3.7Å; F43-F100 HydrophobicContact CZ-CE1 3.7Å; F43-I117 WeakPolarHBondContact O-CA 3.39Å; F43-Y118 WeakPolarHBondContact CD1-O 3.41Å; F43-Y118 HydrophobicContact CZ-CG 4.36Å; F43-Y118 PolarHBondContact N-O 3.36Å; F43-Y118 PolarHBondContact O-N 2.98Å; F43-V120 HydrophobicContact CD1-CG2 4Å; F43-V120 HydrophobicContact CE1-CG2 3.8Å
44Q92.9Very high78.8Confident34 Ų3478.2 Ų78.216%0.15940%0.4CS..EExtended strand (participates in β ladder)trans-98.5143.3175.558.8167.745.700111.3G32 L33 Q34 L36 K116G32-Q44 WeakPolarHBondContact O-CG 2.84Å; G32-Q44 PolarHBondContact O-NE2 3.11Å; L33-Q44 WeakPolarHBondContact CA-O 3.43Å; L33-Q44 WeakPolarHBondContact CD1-O 3.34Å; Q34-Q44 HydrophobicContact CG-CG 3.58Å; Q34-Q44 PolarHBondContact N-O 3.12Å; Q34-Q44 WeakPolarHBondContact O-CG 3.36Å; Q34-Q44 PolarHBondContact O-N 2.86Å; L36-Q44 HydrophobicContact CD1-CB 4.21Å; L36-Q44 HydrophobicContact CD2-CB 4.23Å; L36-Q44 HydrophobicContact CD2-CG 3.92Å; L36-Q44 HydrophobicContact CG-CB 4.27Å; L36-Q44 HydrophobicContact CG-CG 4.33Å; Q44-K116 CarbonylContact C-O 3.52Å; Q44-K116 VanDerWaalsContact CA-O 3.3Å; Q44-K116 WeakPolarHBondContact CA-O 3.5Å
45I93.4Very high77.1Confident0 Ų077.5 Ų77.50%040%0.404CS..EExtended strand (participates in β ladder)trans-119.2123.7170.3-51.7-178.4000108.5L33 F43 W47 I63 F64 L94 Y115 K116 Y118L33-I45 HydrophobicContact CD1-CB 4.4Å; L33-I45 HydrophobicContact CD1-CG1 3.83Å; L33-I45 HydrophobicContact CD1-CG2 4.49Å; F43-I45 HydrophobicContact CD2-CD1 4.49Å; F43-I45 HydrophobicContact CD2-CG1 3.96Å; F43-I45 HydrophobicContact CE2-CD1 3.75Å; F43-I45 HydrophobicContact CE2-CG1 3.72Å; I45-W47 HydrophobicContact CB-CE3 4.36Å; I45-W47 HydrophobicContact CG2-CE3 3.95Å; I45-W47 HydrophobicContact CG2-CZ3 4.16Å; I45-W47 PolarHBondContact O-N 2.97Å; I45-I63 HydrophobicContact CG2-CG2 3.95Å; I45-F64 HydrophobicContact CG2-CZ 4.21Å; I45-L94 HydrophobicContact CD1-CD1 3.91Å; I45-Y115 WeakPolarHBondContact O-CA 2.98Å; I45-K116 PolarHBondContact N-O 3.37Å; I45-K116 PolarHBondContact O-N 2.97Å; I45-Y118 HydrophobicContact CD1-CD2 3.71Å; I45-Y118 HydrophobicContact CD1-CE2 3.73Å; I45-Y118 HydrophobicContact CG1-CD2 4.01Å; I45-Y118 HydrophobicContact CG1-CE2 4.27Å
46P89.3Confident75Confident32 Ų3282.3 Ų82.321%0.20843%0.43CS..EExtended strand (participates in β ladder)trans-62.8131.1170.5-19.532.1000110.8P31 G32 F64P31-P46 VanDerWaalsContact O-CG 3.31Å; P31-P46 WeakPolarHBondContact O-CG 3.21Å; G32-P46 WeakPolarHBondContact O-CD 3.26Å; G32-P46 WeakPolarHBondContact O-CG 3.18Å; P46-F64 WeakPolarHBondContact O-CZ 3.36Å
47W87.9Confident73.3Confident16 Ų1682.9 Ų82.96%0.06144%0.441CS..  trans-127.338.8-169.6-150.1-90.7000113.7I45 F64 K87 R91 L94 T107 P114 K116I45-W47 HydrophobicContact CB-CE3 4.36Å; I45-W47 HydrophobicContact CG2-CE3 3.95Å; I45-W47 HydrophobicContact CG2-CZ3 4.16Å; I45-W47 PolarHBondContact O-N 2.97Å; W47-F64 HydrophobicContact CD2-CZ 4.1Å; W47-F64 AromaticContact CE3-CE1 3.94Å; W47-F64 HydrophobicContact CE3-CE1 3.94Å; W47-F64 AromaticContact CE3-CZ 3.65Å; W47-F64 HydrophobicContact CE3-CZ 3.65Å; W47-F64 AromaticContact CH2-CE1 3.84Å; W47-F64 HydrophobicContact CH2-CE1 3.84Å; W47-F64 HydrophobicContact CH2-CZ 4.35Å; W47-F64 HydrophobicContact CZ2-CE1 4.43Å; W47-F64 AromaticContact CZ3-CE1 3.57Å; W47-F64 HydrophobicContact CZ3-CE1 3.57Å; W47-F64 AromaticContact CZ3-CZ 3.81Å; W47-F64 HydrophobicContact CZ3-CZ 3.81Å; W47-K87 VanDerWaalsContact CD1-NZ 3.31Å; W47-K87 VanDerWaalsContact CE2-CE 3.44Å; W47-K87 HydrophobicContact CZ2-CG 4.23Å; W47-K87 PolarHBondContact O-NZ 3.34Å; W47-K87 VanDerWaalsContact O-NZ 3.08Å; W47-R91 HydrophobicContact CH2-CB 3.91Å; W47-R91 HydrophobicContact CH2-CG 4.32Å; W47-R91 HydrophobicContact CZ2-CB 3.79Å; W47-R91 HydrophobicContact CZ2-CG 3.96Å; W47-L94 HydrophobicContact CH2-CD1 4.38Å; W47-L94 HydrophobicContact CZ3-CD1 4.29Å; W47-T107 HydrophobicContact CB-CG2 3.9Å; W47-T107 HydrophobicContact CG-CG2 4.02Å; W47-P114 PolarHBondContact N-O 3.12Å; W47-K116 HydrophobicContact CB-CG 4.22Å; W47-K116 VanDerWaalsContact CD1-CE 3.42Å; W47-K116 HydrophobicContact CD2-CD 3.75Å; W47-K116 VanDerWaalsContact CD2-CE 3.46Å; W47-K116 HydrophobicContact CD2-CG 4.29Å; W47-K116 HydrophobicContact CE3-CD 3.93Å; W47-K116 HydrophobicContact CE3-CG 4.44Å; W47-K116 HydrophobicContact CG-CD 4.03Å; W47-K116 HydrophobicContact CG-CG 4.19Å; W47-K116 HydrophobicContact CZ3-CD 4.41Å; W47-K116 VanDerWaalsContact NE1-CE 3.3Å
48K78.8Confident72.2Confident75 Ų7585.1 Ų85.133%0.32644%0.439SS..  trans-51.2145.8-179.1-59.7-175.4-177.4-176.70113.5E58 K87K48-E58 IonicContact NZ-OE1 2.88Å; K48-E58 IonicContact NZ-OE2 3.13Å; K48-E58 PolarHBondContact NZ-OE2 3.46Å; K48-K87 PolarHBondContact O-NZ 2.8Å
49H69.3Low71.5Confident88 Ų8883.7 Ų83.741%0.40742%0.42SS..  trans-66.2132.4173.9-73.3-94.8000110.2T51 R52H49-T51 PolarHBondContact O-N 3.39Å; H49-R52 PolarHBondContact O-N 3.01Å
50A57.3Low70.8Confident56 Ų5681.6 Ų81.646%0.46341%0.41SS..THydrogen-bonded Turntrans-68.7-18.9-175.600000113A84A50-A84 HydrophobicContact CB-CB 4.34Å
51T55.5Low70.3Confident123 Ų12380.9 Ų80.976%0.75541%0.41SS*.THydrogen-bonded Turntrans-90.5-6.3-178.2490000113.7H49H49-T51 PolarHBondContact O-N 3.39Å
52R59.8Low70.4Confident152 Ų15276.3 Ų76.357%0.57440%0.397SS*.SBendtrans-91.7109.2-179.6-156.6176.3-162.6-102.13.2108.7H49 T54H49-R52 PolarHBondContact O-N 3.01Å; R52-T54 PolarHBondContact O-N 2.8Å; R52-T54 PolarHBondContact O-OG1 3.27Å
53H49.8Very low70.4Confident195 Ų19573.4 Ų73.490%0.90338%0.382SS*.  trans-41.6107.6179.6-68.3-70.1000111.3
54T56.8Low70.3Confident34 Ų3474.3 Ų74.321%0.20939%0.385CS..  trans-106.3141.6178.2-62.40000107.2R52 M56 E58 E59R52-T54 PolarHBondContact O-N 2.8Å; R52-T54 PolarHBondContact O-OG1 3.27Å; T54-M56 PolarHBondContact O-N 3.35Å; T54-E58 HydrophobicContact CG2-CB 3.55Å; T54-E58 HydrophobicContact CG2-CG 4.5Å; T54-E58 WeakPolarHBondContact CG2-OE2 3.18Å; T54-E59 HydrophobicContact CG2-CG 4.14Å
55P57.4Low70.2Confident84 Ų8473.8 Ų73.855%0.54538%0.383SS..  trans-55136.9176.9-23.232.9000110.7S57 E58P55-S57 PolarHBondContact O-N 3.48Å; P55-E58 PolarHBondContact O-N 3.26Å
56M51.7Low70.1Confident148 Ų14874.6 Ų74.673%0.72939%0.389SS*.Hα-helixtrans-49.6-33.6-173.3-163.1-168.2-65.500113.4T54 E58 E59 E60T54-M56 PolarHBondContact O-N 3.35Å; M56-E58 VanDerWaalsContact C-N 3.33Å; M56-E58 PolarHBondContact O-N 3.49Å; M56-E59 PolarHBondContact O-N 3.17Å; M56-E60 PolarHBondContact O-N 3.03Å
57S51.9Low70.3Confident85 Ų8573.8 Ų73.859%0.59438%0.382SS*.Hα-helixtrans-70.3-21.517974.40000115P55P55-S57 PolarHBondContact O-N 3.48Å
58E56.5Low70.5Confident90 Ų9073.1 Ų73.142%0.42138%0.38SS..Hα-helixtrans-88.4-23.1176.5-83.6-166.6169.900112.4K48 T54 P55 M56 T62K48-E58 IonicContact NZ-OE1 2.88Å; K48-E58 IonicContact NZ-OE2 3.13Å; K48-E58 PolarHBondContact NZ-OE2 3.46Å; T54-E58 HydrophobicContact CG2-CB 3.55Å; T54-E58 HydrophobicContact CG2-CG 4.5Å; T54-E58 WeakPolarHBondContact CG2-OE2 3.18Å; P55-E58 PolarHBondContact O-N 3.26Å; M56-E58 VanDerWaalsContact C-N 3.33Å; M56-E58 PolarHBondContact O-N 3.49Å; E58-T62 WeakPolarHBondContact O-CG2 3.47Å
59E60Low71Confident86 Ų8672.7 Ų72.740%0.40238%0.383SS..Hα-helixtrans-76.5-30.1177.7-68.3-176.6170.500112.3T54 M56 N61T54-E59 HydrophobicContact CG2-CG 4.14Å; M56-E59 PolarHBondContact O-N 3.17Å; E59-N61 VanDerWaalsContact C-N 3.34Å; E59-N61 PolarHBondContact O-N 3.38Å
60E61.3Low72Confident106 Ų10672.6 Ų72.650%0.49538%0.383SS..THydrogen-bonded Turntrans-71.1-25.9-178.8-72.2-179.8166.500113.8M56 K65M56-E60 PolarHBondContact O-N 3.03Å; E60-K65 WeakPolarHBondContact O-CD 3.43Å
61N74.8Confident73.4Confident92 Ų9272 Ų7249%0.49237%0.374SS..THydrogen-bonded Turntrans-116.750.1-173.2-71.7-49.4000112.6Y30 E59Y30-N61 WeakPolarHBondContact CD1-O 3.5Å; E59-N61 VanDerWaalsContact C-N 3.34Å; E59-N61 PolarHBondContact O-N 3.38Å
62T88.1Confident74.9Confident39 Ų3968.4 Ų68.424%0.23936%0.361CS..  trans-99.4146.7174.569.30000112.2E58 F64 K65 A66E58-T62 WeakPolarHBondContact O-CG2 3.47Å; T62-F64 PolarHBondContact O-N 2.69Å; T62-K65 PolarHBondContact O-N 3.22Å; T62-K65 PolarHBondContact OG1-N 3.24Å; T62-A66 PolarHBondContact O-N 3.32Å; T62-A66 VanDerWaalsContact O-N 3.14Å
63I92Very high76.1Confident6 Ų666.3 Ų66.33%0.03136%0.356CS..Hα-helixtrans-60.8-26.6173-169.660.3000112.2W20 L21 Q24 Y30 L33 I45 W67 L90W20-I63 HydrophobicContact CH2-CD1 3.51Å; W20-I63 HydrophobicContact CH2-CG1 4.23Å; W20-I63 HydrophobicContact CZ2-CD1 4.41Å; W20-I63 HydrophobicContact CZ3-CD1 3.82Å; W20-I63 HydrophobicContact CZ3-CG1 4.33Å; L21-I63 HydrophobicContact CD1-CD1 4.12Å; L21-I63 HydrophobicContact CD1-CG1 3.93Å; Q24-I63 HydrophobicContact CB-CD1 3.5Å; Q24-I63 HydrophobicContact CG-CD1 3.69Å; Y30-I63 HydrophobicContact CD2-CD1 3.9Å; Y30-I63 HydrophobicContact CE2-CD1 3.84Å; Y30-I63 HydrophobicContact CG-CB 4.34Å; Y30-I63 HydrophobicContact CG-CD1 4.42Å; L33-I63 HydrophobicContact CD2-CB 4.33Å; L33-I63 HydrophobicContact CD2-CD1 3.83Å; L33-I63 HydrophobicContact CD2-CG1 4.04Å; I45-I63 HydrophobicContact CG2-CG2 3.95Å; I63-W67 WeakPolarHBondContact O-CB 3.38Å; I63-W67 PolarHBondContact O-N 3.39Å; I63-L90 HydrophobicContact CG1-CD2 4.28Å; I63-L90 HydrophobicContact CG2-CD2 4.03Å
64F92.5Very high78Confident19 Ų1957.7 Ų57.78%0.08332%0.316CS..Hα-helixtrans-67.5-49.1178-53.3-65.5000111.7I45 P46 W47 T62 A66 W67 A68 W86 K87 L90I45-F64 HydrophobicContact CG2-CZ 4.21Å; P46-F64 WeakPolarHBondContact O-CZ 3.36Å; W47-F64 HydrophobicContact CD2-CZ 4.1Å; W47-F64 AromaticContact CE3-CE1 3.94Å; W47-F64 HydrophobicContact CE3-CE1 3.94Å; W47-F64 AromaticContact CE3-CZ 3.65Å; W47-F64 HydrophobicContact CE3-CZ 3.65Å; W47-F64 AromaticContact CH2-CE1 3.84Å; W47-F64 HydrophobicContact CH2-CE1 3.84Å; W47-F64 HydrophobicContact CH2-CZ 4.35Å; W47-F64 HydrophobicContact CZ2-CE1 4.43Å; W47-F64 AromaticContact CZ3-CE1 3.57Å; W47-F64 HydrophobicContact CZ3-CE1 3.57Å; W47-F64 AromaticContact CZ3-CZ 3.81Å; W47-F64 HydrophobicContact CZ3-CZ 3.81Å; T62-F64 PolarHBondContact O-N 2.69Å; F64-A66 VanDerWaalsContact C-N 3.35Å; F64-W67 PolarHBondContact O-N 2.95Å; F64-A68 PolarHBondContact O-N 2.86Å; F64-A68 VanDerWaalsContact O-N 3.08Å; F64-W86 HydrophobicContact CB-CB 4.01Å; F64-K87 HydrophobicContact CD1-CB 4.12Å; F64-K87 HydrophobicContact CD1-CG 4.1Å; F64-K87 HydrophobicContact CE1-CB 4.44Å; F64-K87 HydrophobicContact CE1-CG 3.91Å; F64-K87 HydrophobicContact CE2-CG 4.48Å; F64-K87 HydrophobicContact CG-CB 4.22Å; F64-K87 HydrophobicContact CG-CG 4.46Å; F64-K87 HydrophobicContact CZ-CG 4.12Å; F64-L90 HydrophobicContact CD1-CB 3.94Å; F64-L90 HydrophobicContact CD1-CD2 3.52Å; F64-L90 HydrophobicContact CD1-CG 4.3Å; F64-L90 HydrophobicContact CE1-CB 4.43Å; F64-L90 HydrophobicContact CE1-CD2 3.74Å
65K90.6Very high79.4Confident24 Ų2461.4 Ų61.410%0.10433%0.331CS..Hα-helixtrans-60.1-46.9174.4-175.4-178.6175-169.30110.5E60 T62 W67 A68 V69 Y74 E76 W86E60-K65 WeakPolarHBondContact O-CD 3.43Å; T62-K65 PolarHBondContact O-N 3.22Å; T62-K65 PolarHBondContact OG1-N 3.24Å; K65-W67 VanDerWaalsContact C-N 3.32Å; K65-W67 PolarHBondContact O-N 3.42Å; K65-A68 WeakPolarHBondContact O-CB 3.42Å; K65-A68 PolarHBondContact O-N 2.76Å; K65-V69 WeakPolarHBondContact O-CG2 3.24Å; K65-V69 PolarHBondContact O-N 3.34Å; K65-Y74 HydrophobicContact CG-CD1 4.46Å; K65-Y74 HydrophobicContact CG-CE1 4.29Å; K65-E76 WeakPolarHBondContact CE-OE1 3.4Å; K65-E76 IonicContact NZ-OE1 2.78Å; K65-E76 PolarHBondContact NZ-OE1 3.33Å; K65-W86 HydrophobicContact CB-CD2 4.37Å; K65-W86 HydrophobicContact CB-CE3 3.6Å; K65-W86 HydrophobicContact CB-CH2 4.34Å; K65-W86 HydrophobicContact CB-CZ3 3.6Å; K65-W86 HydrophobicContact CD-CH2 4.06Å; K65-W86 HydrophobicContact CD-CZ3 3.9Å; K65-W86 HydrophobicContact CG-CE3 3.98Å; K65-W86 HydrophobicContact CG-CH2 3.8Å; K65-W86 HydrophobicContact CG-CZ2 4.42Å; K65-W86 HydrophobicContact CG-CZ3 3.56Å
66A91.7Very high80.7Confident16 Ų1663.6 Ų63.613%0.13233%0.334CS..Hα-helixtrans-58-42.7178.600000112.7W20 Y30 T62 F64 A68 V69 E70W20-A66 HydrophobicContact CH2-CB 4.21Å; W20-A66 HydrophobicContact CZ2-CB 4.06Å; Y30-A66 HydrophobicContact CE1-CB 3.73Å; Y30-A66 WeakPolarHBondContact OH-CB 3.45Å; T62-A66 PolarHBondContact O-N 3.32Å; T62-A66 VanDerWaalsContact O-N 3.14Å; F64-A66 VanDerWaalsContact C-N 3.35Å; A66-A68 VanDerWaalsContact C-N 3.33Å; A66-A68 PolarHBondContact O-N 2.99Å; A66-V69 PolarHBondContact O-N 2.96Å; A66-E70 VanDerWaalsContact O-CB 3.24Å; A66-E70 WeakPolarHBondContact O-CB 3.1Å; A66-E70 PolarHBondContact O-N 3.11Å
67W92.4Very high82.1Confident16 Ų1660.4 Ų60.46%0.06134%0.339CS..Hα-helixtrans-65-37.1175.6-179.5-118.3000112.6I15 L17 W20 I63 F64 K65 E70 T71 L90 A93I15-W67 HydrophobicContact CG2-CZ3 4.15Å; L17-W67 HydrophobicContact CB-CH2 4Å; L17-W67 HydrophobicContact CB-CZ2 4.42Å; L17-W67 HydrophobicContact CD1-CD2 4.19Å; L17-W67 HydrophobicContact CD1-CE3 4.15Å; L17-W67 HydrophobicContact CD1-CH2 3.55Å; L17-W67 HydrophobicContact CD1-CZ2 3.58Å; L17-W67 HydrophobicContact CD1-CZ3 3.84Å; L17-W67 HydrophobicContact CG-CH2 4.39Å; W20-W67 HydrophobicContact CB-CZ3 4.35Å; W20-W67 AromaticContact CD2-CE3 3.63Å; W20-W67 HydrophobicContact CD2-CE3 3.63Å; W20-W67 AromaticContact CD2-CZ3 3.81Å; W20-W67 HydrophobicContact CD2-CZ3 3.81Å; W20-W67 HydrophobicContact CE3-CD2 4.27Å; W20-W67 AromaticContact CE3-CE3 3.26Å; W20-W67 HydrophobicContact CE3-CE3 3.26Å; W20-W67 AromaticContact CE3-CZ3 3.62Å; W20-W67 HydrophobicContact CE3-CZ3 3.62Å; W20-W67 HydrophobicContact CG-CE3 4.4Å; W20-W67 HydrophobicContact CG-CZ3 4.13Å; W20-W67 VanDerWaalsContact CH2-CA 3.43Å; W20-W67 HydrophobicContact CH2-CB 3.55Å; W20-W67 HydrophobicContact CH2-CD2 4.37Å; W20-W67 AromaticContact CH2-CE3 3.81Å; W20-W67 HydrophobicContact CH2-CE3 3.81Å; W20-W67 HydrophobicContact CH2-CG 4.34Å; W20-W67 HydrophobicContact CZ2-CB 4.34Å; W20-W67 HydrophobicContact CZ2-CE3 4.12Å; W20-W67 HydrophobicContact CZ3-CB 3.88Å; W20-W67 HydrophobicContact CZ3-CD2 4.01Å; W20-W67 AromaticContact CZ3-CE3 3.37Å; W20-W67 HydrophobicContact CZ3-CE3 3.37Å; W20-W67 HydrophobicContact CZ3-CG 4.27Å; W20-W67 HydrophobicContact CZ3-CZ3 4.2Å; I63-W67 WeakPolarHBondContact O-CB 3.38Å; I63-W67 PolarHBondContact O-N 3.39Å; F64-W67 PolarHBondContact O-N 2.95Å; K65-W67 VanDerWaalsContact C-N 3.32Å; K65-W67 PolarHBondContact O-N 3.42Å; W67-E70 PolarHBondContact O-N 3.03Å; W67-T71 HydrophobicContact CD2-CG2 3.76Å; W67-T71 VanDerWaalsContact CE2-CG2 3.48Å; W67-T71 HydrophobicContact CE3-CG2 3.94Å; W67-T71 HydrophobicContact CG-CG2 4.48Å; W67-T71 HydrophobicContact CH2-CG2 3.69Å; W67-T71 HydrophobicContact CZ2-CG2 3.45Å; W67-T71 VanDerWaalsContact CZ2-CG2 3.45Å; W67-T71 HydrophobicContact CZ3-CG2 3.93Å; W67-T71 WeakPolarHBondContact O-CB 3.42Å; W67-T71 WeakPolarHBondContact O-CG2 3.48Å; W67-T71 PolarHBondContact O-N 2.95Å; W67-T71 PolarHBondContact O-OG1 3.06Å; W67-L90 HydrophobicContact CB-CD1 4.16Å; W67-L90 HydrophobicContact CD2-CD1 4.06Å; W67-L90 HydrophobicContact CG-CB 4.4Å; W67-L90 HydrophobicContact CG-CD1 3.7Å; W67-A93 HydrophobicContact CZ2-CB 4.17Å
68A91.3Very high83.8Confident1 Ų161.4 Ų61.41%0.00834%0.341CS..Hα-helixtrans-66.2-43.6177.400000111.8F64 K65 A66 T71 G72 K73 Y74 W86F64-A68 PolarHBondContact O-N 2.86Å; F64-A68 VanDerWaalsContact O-N 3.08Å; K65-A68 WeakPolarHBondContact O-CB 3.42Å; K65-A68 PolarHBondContact O-N 2.76Å; A66-A68 VanDerWaalsContact C-N 3.33Å; A66-A68 PolarHBondContact O-N 2.99Å; A68-T71 PolarHBondContact O-OG1 3.41Å; A68-G72 PolarHBondContact O-N 3.08Å; A68-K73 PolarHBondContact O-N 3.34Å; A68-Y74 PolarHBondContact O-N 3.43Å; A68-W86 HydrophobicContact CB-CB 4.16Å; A68-W86 HydrophobicContact CB-CD2 4.27Å; A68-W86 HydrophobicContact CB-CG 3.65Å
69V90.4Very high85.2Confident67 Ų6760.4 Ų60.441%0.40634%0.338SS..Hα-helixtrans-61.6-49.6172.9176.50000110.6K65 A66 T71 G72 Y74K65-V69 WeakPolarHBondContact O-CG2 3.24Å; K65-V69 PolarHBondContact O-N 3.34Å; A66-V69 PolarHBondContact O-N 2.96Å; V69-T71 VanDerWaalsContact C-N 3.32Å; V69-T71 PolarHBondContact O-N 3.44Å; V69-G72 PolarHBondContact O-N 3.48Å; V69-Y74 WeakPolarHBondContact CA-O 3.42Å; V69-Y74 HydrophobicContact CG2-CD1 3.63Å; V69-Y74 HydrophobicContact CG2-CE1 4.18Å
70E90.2Very high86.3Confident85 Ų8564.8 Ų64.840%0.39736%0.359SS..Hα-helixtrans-60.6-42.4-176.5-167.681.3-14900111.9I15 W20 A66 W67 G72I15-E70 HydrophobicContact CD1-CG 3.53Å; I15-E70 WeakPolarHBondContact CD1-O 3.47Å; I15-E70 WeakPolarHBondContact CD1-OE1 3.47Å; I15-E70 HydrophobicContact CG2-CG 4.11Å; W20-E70 VanDerWaalsContact CD1-CD 3.47Å; W20-E70 VanDerWaalsContact CD1-CG 3.49Å; W20-E70 HydrophobicContact CD2-CG 4.45Å; W20-E70 HydrophobicContact CG-CG 4.28Å; W20-E70 HydrophobicContact CZ2-CB 4.05Å; W20-E70 HydrophobicContact CZ2-CG 4.39Å; W20-E70 PolarHBondContact NE1-OE2 2.76Å; A66-E70 VanDerWaalsContact O-CB 3.24Å; A66-E70 WeakPolarHBondContact O-CB 3.1Å; A66-E70 PolarHBondContact O-N 3.11Å; W67-E70 PolarHBondContact O-N 3.03Å; E70-G72 PolarHBondContact O-N 3.14Å
71T87.6Confident87.4Confident44 Ų4463.5 Ų63.527%0.2736%0.36SS..THydrogen-bonded Turntrans-77.6-1.2178.154.90000114W67 A68 V69 K73W67-T71 HydrophobicContact CD2-CG2 3.76Å; W67-T71 VanDerWaalsContact CE2-CG2 3.48Å; W67-T71 HydrophobicContact CE3-CG2 3.94Å; W67-T71 HydrophobicContact CG-CG2 4.48Å; W67-T71 HydrophobicContact CH2-CG2 3.69Å; W67-T71 HydrophobicContact CZ2-CG2 3.45Å; W67-T71 VanDerWaalsContact CZ2-CG2 3.45Å; W67-T71 HydrophobicContact CZ3-CG2 3.93Å; W67-T71 WeakPolarHBondContact O-CB 3.42Å; W67-T71 WeakPolarHBondContact O-CG2 3.48Å; W67-T71 PolarHBondContact O-N 2.95Å; W67-T71 PolarHBondContact O-OG1 3.06Å; A68-T71 PolarHBondContact O-OG1 3.41Å; V69-T71 VanDerWaalsContact C-N 3.32Å; V69-T71 PolarHBondContact O-N 3.44Å; T71-K73 PolarHBondContact O-N 2.96Å
72G86.4Confident87.9Confident48 Ų4862 Ų6250%0.49535%0.352SS..THydrogen-bonded Turntrans69.215.1-176.100000113.9A68 V69 E70 Y74A68-G72 PolarHBondContact O-N 3.08Å; V69-G72 PolarHBondContact O-N 3.48Å; E70-G72 PolarHBondContact O-N 3.14Å; G72-Y74 VanDerWaalsContact C-N 3.29Å
73K85.4Confident87.7Confident108 Ų10862.8 Ų62.847%0.4736%0.358SS..SBendtrans-83.4-6.5178.4-70.8-174.6172.1-173.60113.4A68 T71 N89A68-K73 PolarHBondContact O-N 3.34Å; T71-K73 PolarHBondContact O-N 2.96Å; K73-N89 PolarHBondContact NZ-OD1 3.22Å
74Y87.9Confident87.3Confident13 Ų1363.8 Ų63.85%0.05137%0.367CS..  trans-150.7128.5176.5172.1-110.3000109.3K65 A68 V69 G72 E76 D79 W86K65-Y74 HydrophobicContact CG-CD1 4.46Å; K65-Y74 HydrophobicContact CG-CE1 4.29Å; A68-Y74 PolarHBondContact O-N 3.43Å; V69-Y74 WeakPolarHBondContact CA-O 3.42Å; V69-Y74 HydrophobicContact CG2-CD1 3.63Å; V69-Y74 HydrophobicContact CG2-CE1 4.18Å; G72-Y74 VanDerWaalsContact C-N 3.29Å; Y74-E76 HydrophobicContact CE1-CB 4.19Å; Y74-D79 WeakPolarHBondContact CA-OD2 3.42Å; Y74-D79 HydrophobicContact CD2-CB 3.64Å; Y74-D79 HydrophobicContact CE2-CB 3.91Å; Y74-D79 WeakPolarHBondContact CE2-O 3.33Å; Y74-W86 HydrophobicContact CD1-CH2 4.35Å; Y74-W86 AromaticContact CD1-CZ2 3.65Å; Y74-W86 HydrophobicContact CD1-CZ2 3.65Å; Y74-W86 AromaticContact CD2-CZ2 3.55Å; Y74-W86 HydrophobicContact CD2-CZ2 3.55Å; Y74-W86 AromaticContact CD2-NE1 3.91Å; Y74-W86 HydrophobicContact CE1-CH2 4.03Å; Y74-W86 AromaticContact CE1-CZ2 3.68Å; Y74-W86 HydrophobicContact CE1-CZ2 3.68Å; Y74-W86 HydrophobicContact CE2-CH2 4.33Å; Y74-W86 AromaticContact CE2-CZ2 3.55Å; Y74-W86 HydrophobicContact CE2-CZ2 3.55Å; Y74-W86 AromaticContact CG-CE2 3.84Å; Y74-W86 AromaticContact CG-CZ2 3.61Å; Y74-W86 HydrophobicContact CG-CZ2 3.61Å; Y74-W86 AromaticContact CG-NE1 3.68Å; Y74-W86 AromaticContact CZ-CZ2 3.62Å
75Q86.6Confident86.9Confident112 Ų11266.5 Ų66.552%0.52338%0.379SS..  trans-112.3119.6172.7-67.7-177.23900110G77 V78 D79Q75-G77 PolarHBondContact O-N 3.4Å; Q75-V78 HydrophobicContact CB-CB 3.97Å; Q75-V78 HydrophobicContact CB-CG2 4.27Å; Q75-V78 PolarHBondContact O-N 3.3Å; Q75-V78 VanDerWaalsContact O-N 3.14Å; Q75-D79 PolarHBondContact N-OD2 3.13Å; Q75-D79 PolarHBondContact O-N 3Å
76E85.1Confident86.9Confident131 Ų13166 Ų6661%0.61238%0.376SS*.THydrogen-bonded Turntrans-64.8127.2-177.3-172158.2-131.700111.4K65 Y74 V78K65-E76 WeakPolarHBondContact CE-OE1 3.4Å; K65-E76 IonicContact NZ-OE1 2.78Å; K65-E76 PolarHBondContact NZ-OE1 3.33Å; Y74-E76 HydrophobicContact CE1-CB 4.19Å; E76-V78 VanDerWaalsContact C-N 3.27Å; E76-V78 PolarHBondContact O-N 3.15Å
77G81.9Confident86.8Confident80 Ų8066.8 Ų66.883%0.82538%0.377SS*.THydrogen-bonded Turntrans81.7-5-17700000115.3Q75Q75-G77 PolarHBondContact O-N 3.4Å
78V86.2Confident86.4Confident106 Ų10667.8 Ų67.864%0.64239%0.389SS*.THydrogen-bonded Turntrans-110.1-50.6175-178.70000110.7Q75 E76Q75-V78 HydrophobicContact CB-CB 3.97Å; Q75-V78 HydrophobicContact CB-CG2 4.27Å; Q75-V78 PolarHBondContact O-N 3.3Å; Q75-V78 VanDerWaalsContact O-N 3.14Å; E76-V78 VanDerWaalsContact C-N 3.27Å; E76-V78 PolarHBondContact O-N 3.15Å
79D85.8Confident86.3Confident69 Ų6969.2 Ų69.237%0.36940%0.396SS..SBendtrans-91.8149.8-178.5-64.5-38.7000111.4Y74 Q75Y74-D79 WeakPolarHBondContact CA-OD2 3.42Å; Y74-D79 HydrophobicContact CD2-CB 3.64Å; Y74-D79 HydrophobicContact CE2-CB 3.91Å; Y74-D79 WeakPolarHBondContact CE2-O 3.33Å; Q75-D79 PolarHBondContact N-OD2 3.13Å; Q75-D79 PolarHBondContact O-N 3Å
80E83.7Confident86.3Confident178 Ų17866 Ų6683%0.83238%0.376SS*.PPolyproline II helixtrans-71131.4171.4-168.5176.8-179.600110.6D82E80-D82 PolarHBondContact O-N 3.18Å
81P85.1Confident86.3Confident80 Ų8065.4 Ų65.452%0.51937%0.371SS..PPolyproline II helixtrans-59.4124.1177.2-27.135.9000113.4W86P81-W86 HydrophobicContact CB-CH2 3.76Å; P81-W86 HydrophobicContact CB-CZ2 4.08Å
82D84.2Confident86.4Confident60 Ų6065.8 Ų65.832%0.32137%0.374SS..  trans-129.383.9173.4-174.7-15.5000110.4E80 A84 K85 W86E80-D82 PolarHBondContact O-N 3.18Å; D82-A84 PolarHBondContact O-N 2.96Å; D82-A84 PolarHBondContact OD1-N 2.8Å; D82-K85 HydrophobicContact CB-CB 3.89Å; D82-K85 HydrophobicContact CB-CD 4.47Å; D82-K85 PolarHBondContact O-N 3.17Å; D82-K85 WeakPolarHBondContact OD1-CB 3.43Å; D82-K85 PolarHBondContact OD1-N 2.87Å; D82-K85 WeakPolarHBondContact OD2-CB 3.4Å; D82-W86 VanDerWaalsContact O-CD1 3.32Å; D82-W86 PolarHBondContact O-N 3.03Å
83P85Confident86.6Confident56 Ų5664.6 Ų64.636%0.36436%0.36SS..Hα-helixtrans-57.6-31.6179.9-26.335.4000113.6W86 K87P83-W86 HydrophobicContact CB-CE3 4.3Å; P83-W86 HydrophobicContact CG-CE3 4.41Å; P83-W86 HydrophobicContact CG-CZ3 4.19Å; P83-W86 PolarHBondContact O-N 3Å; P83-K87 WeakPolarHBondContact O-CB 3.46Å; P83-K87 PolarHBondContact O-N 3.14Å
84A82.4Confident86.9Confident27 Ų2759.6 Ų59.622%0.22334%0.339CS..Hα-helixtrans-70.6-42.5-179.700000111.3A50 D82 K87 A88 V149A50-A84 HydrophobicContact CB-CB 4.34Å; D82-A84 PolarHBondContact O-N 2.96Å; D82-A84 PolarHBondContact OD1-N 2.8Å; A84-K87 PolarHBondContact O-N 3.09Å; A84-A88 WeakPolarHBondContact O-CB 3.15Å; A84-A88 PolarHBondContact O-N 2.85Å; A84-V149 HydrophobicContact CB-CG1 3.78Å
85K85.6Confident87Confident75 Ų7564 Ų6433%0.32636%0.363SS..Hα-helixtrans-64.2-41.3172.7177.4174.3170-176.10112.2D82 A88 N89 T153D82-K85 HydrophobicContact CB-CB 3.89Å; D82-K85 HydrophobicContact CB-CD 4.47Å; D82-K85 PolarHBondContact O-N 3.17Å; D82-K85 WeakPolarHBondContact OD1-CB 3.43Å; D82-K85 PolarHBondContact OD1-N 2.87Å; D82-K85 WeakPolarHBondContact OD2-CB 3.4Å; K85-A88 PolarHBondContact O-N 3.48Å; K85-N89 WeakPolarHBondContact O-CB 3.2Å; K85-N89 PolarHBondContact O-N 3.23Å; K85-N89 PolarHBondContact O-ND2 3.19Å; K85-N89 VanDerWaalsContact O-ND2 3.11Å; K85-T153 HydrophobicContact CD-CG2 3.72Å; K85-T153 HydrophobicContact CG-CG2 4.03Å
86W90.5Very high87Confident13 Ų1367.2 Ų67.25%0.04938%0.375CS..Hα-helixtrans-61.3-46.5176-57.1-19.8000111.9F64 K65 A68 Y74 P81 D82 P83 N89 L90F64-W86 HydrophobicContact CB-CB 4.01Å; K65-W86 HydrophobicContact CB-CD2 4.37Å; K65-W86 HydrophobicContact CB-CE3 3.6Å; K65-W86 HydrophobicContact CB-CH2 4.34Å; K65-W86 HydrophobicContact CB-CZ3 3.6Å; K65-W86 HydrophobicContact CD-CH2 4.06Å; K65-W86 HydrophobicContact CD-CZ3 3.9Å; K65-W86 HydrophobicContact CG-CE3 3.98Å; K65-W86 HydrophobicContact CG-CH2 3.8Å; K65-W86 HydrophobicContact CG-CZ2 4.42Å; K65-W86 HydrophobicContact CG-CZ3 3.56Å; A68-W86 HydrophobicContact CB-CB 4.16Å; A68-W86 HydrophobicContact CB-CD2 4.27Å; A68-W86 HydrophobicContact CB-CG 3.65Å; Y74-W86 HydrophobicContact CD1-CH2 4.35Å; Y74-W86 AromaticContact CD1-CZ2 3.65Å; Y74-W86 HydrophobicContact CD1-CZ2 3.65Å; Y74-W86 AromaticContact CD2-CZ2 3.55Å; Y74-W86 HydrophobicContact CD2-CZ2 3.55Å; Y74-W86 AromaticContact CD2-NE1 3.91Å; Y74-W86 HydrophobicContact CE1-CH2 4.03Å; Y74-W86 AromaticContact CE1-CZ2 3.68Å; Y74-W86 HydrophobicContact CE1-CZ2 3.68Å; Y74-W86 HydrophobicContact CE2-CH2 4.33Å; Y74-W86 AromaticContact CE2-CZ2 3.55Å; Y74-W86 HydrophobicContact CE2-CZ2 3.55Å; Y74-W86 AromaticContact CG-CE2 3.84Å; Y74-W86 AromaticContact CG-CZ2 3.61Å; Y74-W86 HydrophobicContact CG-CZ2 3.61Å; Y74-W86 AromaticContact CG-NE1 3.68Å; Y74-W86 AromaticContact CZ-CZ2 3.62Å; P81-W86 HydrophobicContact CB-CH2 3.76Å; P81-W86 HydrophobicContact CB-CZ2 4.08Å; D82-W86 VanDerWaalsContact O-CD1 3.32Å; D82-W86 PolarHBondContact O-N 3.03Å; P83-W86 HydrophobicContact CB-CE3 4.3Å; P83-W86 HydrophobicContact CG-CE3 4.41Å; P83-W86 HydrophobicContact CG-CZ3 4.19Å; P83-W86 PolarHBondContact O-N 3Å; W86-N89 PolarHBondContact O-N 2.85Å; W86-L90 PolarHBondContact O-N 2.87Å; W86-L90 VanDerWaalsContact O-N 3.11Å
87K88.8Confident87.2Confident33 Ų3362.1 Ų62.114%0.14335%0.354CS..Hα-helixtrans-62-43.7176.6-172.2177.8-179-176.40112.1W47 K48 F64 P83 A84 N89 L90 R91W47-K87 VanDerWaalsContact CD1-NZ 3.31Å; W47-K87 VanDerWaalsContact CE2-CE 3.44Å; W47-K87 HydrophobicContact CZ2-CG 4.23Å; W47-K87 PolarHBondContact O-NZ 3.34Å; W47-K87 VanDerWaalsContact O-NZ 3.08Å; K48-K87 PolarHBondContact O-NZ 2.8Å; F64-K87 HydrophobicContact CD1-CB 4.12Å; F64-K87 HydrophobicContact CD1-CG 4.1Å; F64-K87 HydrophobicContact CE1-CB 4.44Å; F64-K87 HydrophobicContact CE1-CG 3.91Å; F64-K87 HydrophobicContact CE2-CG 4.48Å; F64-K87 HydrophobicContact CG-CB 4.22Å; F64-K87 HydrophobicContact CG-CG 4.46Å; F64-K87 HydrophobicContact CZ-CG 4.12Å; P83-K87 WeakPolarHBondContact O-CB 3.46Å; P83-K87 PolarHBondContact O-N 3.14Å; A84-K87 PolarHBondContact O-N 3.09Å; K87-N89 VanDerWaalsContact C-N 3.35Å; K87-N89 PolarHBondContact O-N 2.87Å; K87-L90 PolarHBondContact O-N 3.08Å; K87-R91 WeakPolarHBondContact O-CB 3.41Å; K87-R91 PolarHBondContact O-N 3.36Å
88A84.2Confident87.6Confident38 Ų3869.8 Ų69.831%0.31436%0.358SS..Hα-helixtrans-62-41.2176.400000112.3A84 K85 R91 C92A84-A88 WeakPolarHBondContact O-CB 3.15Å; A84-A88 PolarHBondContact O-N 2.85Å; K85-A88 PolarHBondContact O-N 3.48Å; A88-R91 PolarHBondContact O-N 2.97Å; A88-C92 WeakPolarHBondContact O-CB 3.33Å; A88-C92 PolarHBondContact O-N 3.11Å; A88-C92 PolarHBondContact O-SG 2.8Å; A88-C92 VanDerWaalsContact O-SG 3.36Å
89N89Confident87.9Confident30 Ų3067.2 Ų67.216%0.1634%0.339CS..Hα-helixtrans-62.8-48.2178.2-82.4-43.4000112.6K73 K85 W86 K87 C92 A93K73-N89 PolarHBondContact NZ-OD1 3.22Å; K85-N89 WeakPolarHBondContact O-CB 3.2Å; K85-N89 PolarHBondContact O-N 3.23Å; K85-N89 PolarHBondContact O-ND2 3.19Å; K85-N89 VanDerWaalsContact O-ND2 3.11Å; W86-N89 PolarHBondContact O-N 2.85Å; K87-N89 VanDerWaalsContact C-N 3.35Å; K87-N89 PolarHBondContact O-N 2.87Å; N89-C92 PolarHBondContact O-N 3.26Å; N89-A93 PolarHBondContact O-N 3.13Å
90L90.6Very high88.2Confident0 Ų064.6 Ų64.60%032%0.324CS..Hα-helixtrans-65.9-40.5178.6-174.860.9000111.4L17 I63 F64 W67 W86 K87 C92 A93 L94L17-L90 HydrophobicContact CD1-CD1 3.83Å; I63-L90 HydrophobicContact CG1-CD2 4.28Å; I63-L90 HydrophobicContact CG2-CD2 4.03Å; F64-L90 HydrophobicContact CD1-CB 3.94Å; F64-L90 HydrophobicContact CD1-CD2 3.52Å; F64-L90 HydrophobicContact CD1-CG 4.3Å; F64-L90 HydrophobicContact CE1-CB 4.43Å; F64-L90 HydrophobicContact CE1-CD2 3.74Å; W67-L90 HydrophobicContact CB-CD1 4.16Å; W67-L90 HydrophobicContact CD2-CD1 4.06Å; W67-L90 HydrophobicContact CG-CB 4.4Å; W67-L90 HydrophobicContact CG-CD1 3.7Å; W86-L90 PolarHBondContact O-N 2.87Å; W86-L90 VanDerWaalsContact O-N 3.11Å; K87-L90 PolarHBondContact O-N 3.08Å; L90-C92 PolarHBondContact O-N 2.65Å; L90-A93 WeakPolarHBondContact O-CB 3.42Å; L90-A93 PolarHBondContact O-N 2.84Å; L90-A93 VanDerWaalsContact O-N 3.16Å; L90-L94 HydrophobicContact CG-CD1 4.08Å; L90-L94 WeakPolarHBondContact O-CG 3.38Å; L90-L94 PolarHBondContact O-N 3.21Å
91R90.8Very high88.6Confident72 Ų7263.2 Ų63.227%0.27231%0.311SS..Hα-helixtrans-56.4-47.8174.5-174.4-179.156.775.33112.1W47 K87 A88 A93 L94 N95W47-R91 HydrophobicContact CH2-CB 3.91Å; W47-R91 HydrophobicContact CH2-CG 4.32Å; W47-R91 HydrophobicContact CZ2-CB 3.79Å; W47-R91 HydrophobicContact CZ2-CG 3.96Å; K87-R91 WeakPolarHBondContact O-CB 3.41Å; K87-R91 PolarHBondContact O-N 3.36Å; A88-R91 PolarHBondContact O-N 2.97Å; R91-A93 VanDerWaalsContact C-N 3.31Å; R91-A93 PolarHBondContact O-N 3.48Å; R91-L94 PolarHBondContact O-N 3Å; R91-N95 WeakPolarHBondContact O-CB 3.25Å; R91-N95 PolarHBondContact O-N 2.88Å; R91-N95 PolarHBondContact O-OD1 3.28Å
92C89.1Confident89Confident52 Ų5262.9 Ų62.935%0.35131%0.305SS..Hα-helixtrans-63.4-38.3177.6-75.10000112A88 N89 L90 K96A88-C92 WeakPolarHBondContact O-CB 3.33Å; A88-C92 PolarHBondContact O-N 3.11Å; A88-C92 PolarHBondContact O-SG 2.8Å; A88-C92 VanDerWaalsContact O-SG 3.36Å; N89-C92 PolarHBondContact O-N 3.26Å; L90-C92 PolarHBondContact O-N 2.65Å; C92-K96 WeakPolarHBondContact O-CB 3.43Å; C92-K96 VanDerWaalsContact O-CG 3.31Å; C92-K96 WeakPolarHBondContact O-CG 3.41Å; C92-K96 PolarHBondContact O-N 2.8Å; C92-K96 VanDerWaalsContact O-N 3.11Å
93A90.9Very high89.2Confident24 Ų2467.5 Ų67.520%0.19832%0.318CS..Hα-helixtrans-65.7-44177.400000111.7L17 W67 N89 L90 R91 K96 S97L17-A93 HydrophobicContact CD1-CB 4.18Å; L17-A93 VanDerWaalsContact CD2-C 3.42Å; L17-A93 HydrophobicContact CD2-CB 3.77Å; L17-A93 WeakPolarHBondContact CD2-O 3.13Å; W67-A93 HydrophobicContact CZ2-CB 4.17Å; N89-A93 PolarHBondContact O-N 3.13Å; L90-A93 WeakPolarHBondContact O-CB 3.42Å; L90-A93 PolarHBondContact O-N 2.84Å; L90-A93 VanDerWaalsContact O-N 3.16Å; R91-A93 VanDerWaalsContact C-N 3.31Å; R91-A93 PolarHBondContact O-N 3.48Å; A93-K96 PolarHBondContact O-N 3.27Å; A93-S97 PolarHBondContact O-N 2.89Å
94L92.1Very high89.3Confident3 Ų369.3 Ų69.32%0.01632%0.32CS..Hα-helixtrans-62.2-48.2175.5-73.7166.1000111.8L17 L21 I45 W47 L90 R91 K96 S97 F100 Y118L17-L94 HydrophobicContact CD2-CD2 4.22Å; L17-L94 HydrophobicContact CD2-CG 4.42Å; L21-L94 HydrophobicContact CD2-CD2 3.67Å; I45-L94 HydrophobicContact CD1-CD1 3.91Å; W47-L94 HydrophobicContact CH2-CD1 4.38Å; W47-L94 HydrophobicContact CZ3-CD1 4.29Å; L90-L94 HydrophobicContact CG-CD1 4.08Å; L90-L94 WeakPolarHBondContact O-CG 3.38Å; L90-L94 PolarHBondContact O-N 3.21Å; R91-L94 PolarHBondContact O-N 3Å; L94-K96 VanDerWaalsContact C-N 3.3Å; L94-K96 PolarHBondContact O-N 2.84Å; L94-S97 PolarHBondContact O-N 3.31Å; L94-S97 VanDerWaalsContact O-N 3.14Å; L94-F100 HydrophobicContact CD2-CB 4.33Å; L94-F100 HydrophobicContact CD2-CD2 3.85Å; L94-F100 HydrophobicContact CD2-CE2 4.31Å; L94-F100 HydrophobicContact CD2-CG 4.05Å; L94-Y118 HydrophobicContact CB-CE1 4.26Å; L94-Y118 HydrophobicContact CD1-CE1 4.28Å; L94-Y118 HydrophobicContact CD1-CE2 4.17Å; L94-Y118 HydrophobicContact CD2-CE1 4.44Å
95N88.8Confident89.5Confident105 Ų10570.1 Ų70.156%0.56132%0.321SS*.Hα-helixtrans-66.7-28.7-178.1-73.43000113.7R91R91-N95 WeakPolarHBondContact O-CB 3.25Å; R91-N95 PolarHBondContact O-N 2.88Å; R91-N95 PolarHBondContact O-OD1 3.28Å
96K87.8Confident89.1Confident180 Ų18067 Ų6778%0.78331%0.31SS*.Hα-helixtrans-82.4-17.3176.1-73.3-178.7179.9-174.10112.8C92 A93 L94C92-K96 WeakPolarHBondContact O-CB 3.43Å; C92-K96 VanDerWaalsContact O-CG 3.31Å; C92-K96 WeakPolarHBondContact O-CG 3.41Å; C92-K96 PolarHBondContact O-N 2.8Å; C92-K96 VanDerWaalsContact O-N 3.11Å; A93-K96 PolarHBondContact O-N 3.27Å; L94-K96 VanDerWaalsContact C-N 3.3Å; L94-K96 PolarHBondContact O-N 2.84Å
97S89.3Confident88.1Confident23 Ų2368.2 Ų68.216%0.16132%0.319CS..  trans-80.6130.3-178.1-174.10000111A93 L94 E99A93-S97 PolarHBondContact O-N 2.89Å; L94-S97 PolarHBondContact O-N 3.31Å; L94-S97 VanDerWaalsContact O-N 3.14Å; S97-E99 PolarHBondContact O-N 2.96Å; S97-E99 WeakPolarHBondContact OG-CB 3.44Å; S97-E99 PolarHBondContact OG-N 2.78Å; S97-E99 VanDerWaalsContact OG-N 3.12Å
98R89.6Confident86.7Confident241 Ų24175 Ų7591%0.90935%0.348SS*.THydrogen-bonded Turntrans-78.6-8.1168.7-62.1-177-178.7-172-0.6112.6F100R98-F100 VanDerWaalsContact C-N 3.34Å
99E91.8Very high85.1Confident53 Ų5380.9 Ų80.925%0.24837%0.369CS..THydrogen-bonded Turntrans-87-7.9-176.2-60.6175123.200112.6R16 K18 S97 C121R16-E99 IonicContact NH2-OE1 3.82Å; R16-E99 PolarHBondContact NH2-OE1 3.42Å; K18-E99 HydrophobicContact CB-CB 4.18Å; K18-E99 HydrophobicContact CB-CG 4.44Å; K18-E99 WeakPolarHBondContact CB-OE2 3.4Å; K18-E99 HydrophobicContact CD-CB 3.81Å; K18-E99 VanDerWaalsContact CD-CD 3.5Å; K18-E99 HydrophobicContact CD-CG 3.96Å; K18-E99 VanDerWaalsContact CD-OE1 3.3Å; K18-E99 WeakPolarHBondContact CD-OE1 3.38Å; K18-E99 HydrophobicContact CG-CB 4.22Å; S97-E99 PolarHBondContact O-N 2.96Å; S97-E99 WeakPolarHBondContact OG-CB 3.44Å; S97-E99 PolarHBondContact OG-N 2.78Å; S97-E99 VanDerWaalsContact OG-N 3.12Å; E99-C121 PolarHBondContact O-N 3.43Å
100F93.5Very high83.3Confident13 Ų1386.5 Ų86.56%0.05741%0.405CS..EExtended strand (participates in β ladder)trans-131.2132.5-179.8-61.5-68.1000111.4L17 K18 L21 L22 F43 L94 R98 Y118 E119 V120L17-F100 HydrophobicContact CD2-CD2 4.14Å; L17-F100 HydrophobicContact CD2-CE2 3.93Å; L17-F100 HydrophobicContact CG-CE2 3.96Å; K18-F100 HydrophobicContact CB-CE2 4.14Å; K18-F100 HydrophobicContact CB-CZ 4.08Å; K18-F100 HydrophobicContact CG-CZ 4.15Å; L21-F100 HydrophobicContact CB-CZ 4.21Å; L21-F100 HydrophobicContact CD2-CE1 4.19Å; L21-F100 HydrophobicContact CD2-CE2 4.21Å; L21-F100 HydrophobicContact CD2-CZ 3.82Å; L21-F100 HydrophobicContact CG-CZ 4.46Å; L22-F100 HydrophobicContact CD2-CE1 4.34Å; F43-F100 AromaticContact CE1-CD1 3.81Å; F43-F100 HydrophobicContact CE1-CD1 3.81Å; F43-F100 AromaticContact CE1-CE1 3.71Å; F43-F100 HydrophobicContact CE1-CE1 3.71Å; F43-F100 AromaticContact CZ-CD1 3.85Å; F43-F100 HydrophobicContact CZ-CD1 3.85Å; F43-F100 AromaticContact CZ-CE1 3.7Å; F43-F100 HydrophobicContact CZ-CE1 3.7Å; L94-F100 HydrophobicContact CD2-CB 4.33Å; L94-F100 HydrophobicContact CD2-CD2 3.85Å; L94-F100 HydrophobicContact CD2-CE2 4.31Å; L94-F100 HydrophobicContact CD2-CG 4.05Å; R98-F100 VanDerWaalsContact C-N 3.34Å; F100-Y118 HydrophobicContact CB-CD1 4.36Å; F100-E119 CarbonylContact C-O 3.6Å; F100-E119 WeakPolarHBondContact CA-O 3.35Å; F100-V120 HydrophobicContact CD1-CG2 4.44Å; F100-V120 HydrophobicContact CE1-CG2 4.21Å
101R92.1Very high81.5Confident149 Ų14989.4 Ų89.456%0.56242%0.423SS*.EExtended strand (participates in β ladder)trans-120.3125.5175.1-175.6-176.1-58.9-115.51.1110.1R103 Y118 E119R101-R103 PolarHBondContact O-N 2.94Å; R101-Y118 CarbonylContact O-C 3.53Å; R101-Y118 WeakPolarHBondContact O-CA 3.5Å; R101-E119 HydrophobicContact CB-CB 4.35Å; R101-E119 PolarHBondContact N-O 3.4Å; R101-E119 PolarHBondContact O-N 3.45Å
102L92.5Very high80Confident74 Ų7492.6 Ų92.639%0.38745%0.445SS..EExtended strand (participates in β ladder)trans-71.6123.5175.3-177.268.6000109.6F104 D105 K116 Y118L102-F104 WeakPolarHBondContact CD1-O 3.46Å; L102-D105 HydrophobicContact CD2-CB 4.33Å; L102-K116 HydrophobicContact CD1-CB 3.9Å; L102-K116 HydrophobicContact CD1-CD 4.13Å; L102-K116 HydrophobicContact CD1-CG 4.29Å; L102-Y118 HydrophobicContact CB-CD1 4.32Å; L102-Y118 HydrophobicContact CB-CE1 4.04Å; L102-Y118 HydrophobicContact CD1-CD1 4.23Å; L102-Y118 HydrophobicContact CD1-CD2 4.38Å; L102-Y118 HydrophobicContact CD1-CE1 3.81Å; L102-Y118 HydrophobicContact CD1-CE2 3.97Å
103R89.9Confident79Confident156 Ų15699.3 Ų99.359%0.58946%0.463SS*.EExtended strand (participates in β ladder)trans-103.2-33.4179.6-66.4-57.6-65.1-138.86113.6L42 R101 I117 E119L42-R103 HydrophobicContact CD2-CG 3.99Å; R101-R103 PolarHBondContact O-N 2.94Å; R103-I117 HydrophobicContact CB-CG2 4.39Å; R103-I117 PolarHBondContact N-O 3Å; R103-E119 WeakPolarHBondContact CD-OE2 3.4Å; R103-E119 HydrophobicContact CG-CB 3.7Å; R103-E119 IonicContact CZ-OE2 3.92Å; R103-E119 IonicContact NE-OE2 2.7Å; R103-E119 IonicContact NH1-OE2 2.74Å; R103-E119 PolarHBondContact NH1-OE2 3.4Å
104F86.8Confident78.6Confident95 Ų9598.8 Ų98.842%0.41746%0.458SS..EExtended strand (participates in β ladder)trans-144.5135.6-180178.9-106.1000110.4L102 Y115 K116 I117L102-F104 WeakPolarHBondContact CD1-O 3.46Å; F104-Y115 HydrophobicContact CD1-CD2 4.3Å; F104-Y115 AromaticContact CD1-CE2 3.67Å; F104-Y115 HydrophobicContact CD1-CE2 3.67Å; F104-Y115 HydrophobicContact CE1-CD2 4.4Å; F104-Y115 AromaticContact CE1-CE2 3.63Å; F104-Y115 HydrophobicContact CE1-CE2 3.63Å; F104-Y115 AromaticContact CE1-CZ 3.71Å; F104-K116 WeakPolarHBondContact O-CA 3.36Å; F104-I117 HydrophobicContact CB-CB 3.93Å; F104-I117 HydrophobicContact CB-CD1 3.85Å; F104-I117 HydrophobicContact CB-CG1 3.95Å; F104-I117 HydrophobicContact CD1-CD1 4.07Å; F104-I117 HydrophobicContact CD1-CG1 4.18Å; F104-I117 HydrophobicContact CG-CD1 4.26Å; F104-I117 PolarHBondContact N-O 3.49Å; F104-I117 PolarHBondContact O-N 3.03Å
105D85.2Confident78.4Confident44 Ų44102.9 Ų102.924%0.23547%0.473CS..EExtended strand (participates in β ladder)trans-116.890.7175.5-162.4-6.8000110.8L102 T107 K116L102-D105 HydrophobicContact CD2-CB 4.33Å; D105-T107 PolarHBondContact O-N 2.95Å; D105-T107 WeakPolarHBondContact OD1-CG2 3.49Å; D105-T107 PolarHBondContact OD1-N 3.21Å; D105-T107 PolarHBondContact OD1-OG1 3.21Å; D105-K116 IonicContact OD1-NZ 3.79Å; D105-K116 PolarHBondContact OD1-NZ 3.38Å; D105-K116 IonicContact OD2-NZ 2.88Å; D105-K116 PolarHBondContact OD2-NZ 2.82Å
106G77.5Confident78.6Confident9 Ų998.7 Ų98.79%0.09345%0.45CS..THydrogen-bonded Turntrans-8219.3179.500000114.1Y115G106-Y115 VanDerWaalsContact CA-O 3.23Å; G106-Y115 WeakPolarHBondContact CA-O 3.41Å; G106-Y115 PolarHBondContact N-O 3.49Å
107T70.5Confident78.8Confident38 Ų3891.5 Ų91.523%0.23342%0.42CS..THydrogen-bonded Turntrans-93.92.5175.272.70000113.3W47 D105 P114 K116W47-T107 HydrophobicContact CB-CG2 3.9Å; W47-T107 HydrophobicContact CG-CG2 4.02Å; D105-T107 PolarHBondContact O-N 2.95Å; D105-T107 WeakPolarHBondContact OD1-CG2 3.49Å; D105-T107 PolarHBondContact OD1-N 3.21Å; D105-T107 PolarHBondContact OD1-OG1 3.21Å; T107-P114 HydrophobicContact CG2-CB 4.17Å; T107-K116 HydrophobicContact CG2-CG 4.25Å
108K59.1Low79Confident175 Ų17590.6 Ų90.676%0.76141%0.413SS*.SBendtrans-89.8-16.4-172.4-66.9-173.5176.2-172.90114.7
109E51.4Low79.2Confident163 Ų16381.4 Ų81.476%0.76238%0.381SS*.SBendtrans-109.3169.2169.7-65.7175.1-169.700107P111E109-P111 WeakPolarHBondContact O-CD 3.31Å
110T50.1Low79.2Confident147 Ų14779.4 Ų79.490%0.90237%0.372SS*.  trans-96.659.2176.1-40.50000111.9
111P53.8Low79Confident61 Ų6180.4 Ų80.440%0.39638%0.38SS..  trans-75.2148.1168.233.2-29.6000108.9E109 R113E109-P111 WeakPolarHBondContact O-CD 3.31Å; P111-R113 PolarHBondContact O-N 3.45Å
112L59Low78.3Confident139 Ų13977.9 Ų77.973%0.72838%0.378SS*.SBendtrans-54.5-16.4179-70.7158.1000114.1
113R67.3Low76.7Confident194 Ų19478.6 Ų78.673%0.73240%0.403SS*.SBendtrans-140.881.1-178.3-64.7-175.2-68.2176-1.3111.3P111P111-R113 PolarHBondContact O-N 3.45Å
114P83.1Confident74.4Confident12 Ų1277.4 Ų77.48%0.07841%0.413CS..  trans-70.7142.8178.430.6-35.9000110.9W47 T107W47-P114 PolarHBondContact N-O 3.12Å; T107-P114 HydrophobicContact CG2-CB 4.17Å
115Y87.6Confident71.9Confident89 Ų8976.8 Ų76.835%0.34943%0.433SS..EExtended strand (participates in β ladder)trans-144.3160-179.264-87.4000111.5I45 F104 G106 I117I45-Y115 WeakPolarHBondContact O-CA 2.98Å; F104-Y115 HydrophobicContact CD1-CD2 4.3Å; F104-Y115 AromaticContact CD1-CE2 3.67Å; F104-Y115 HydrophobicContact CD1-CE2 3.67Å; F104-Y115 HydrophobicContact CE1-CD2 4.4Å; F104-Y115 AromaticContact CE1-CE2 3.63Å; F104-Y115 HydrophobicContact CE1-CE2 3.63Å; F104-Y115 AromaticContact CE1-CZ 3.71Å; G106-Y115 VanDerWaalsContact CA-O 3.23Å; G106-Y115 WeakPolarHBondContact CA-O 3.41Å; G106-Y115 PolarHBondContact N-O 3.49Å; Y115-I117 HydrophobicContact CD2-CG1 4.09Å; Y115-I117 HydrophobicContact CE2-CD1 4.01Å; Y115-I117 HydrophobicContact CE2-CG1 4Å
116K91.9Very high69.6Low18 Ų1879.4 Ų79.48%0.07846%0.461CS..EExtended strand (participates in β ladder)trans-124.1142.4174.4-68.4-174.7-167.1-78.80110.2Q44 I45 W47 L102 F104 D105 T107 Y118Q44-K116 CarbonylContact C-O 3.52Å; Q44-K116 VanDerWaalsContact CA-O 3.3Å; Q44-K116 WeakPolarHBondContact CA-O 3.5Å; I45-K116 PolarHBondContact N-O 3.37Å; I45-K116 PolarHBondContact O-N 2.97Å; W47-K116 HydrophobicContact CB-CG 4.22Å; W47-K116 VanDerWaalsContact CD1-CE 3.42Å; W47-K116 HydrophobicContact CD2-CD 3.75Å; W47-K116 VanDerWaalsContact CD2-CE 3.46Å; W47-K116 HydrophobicContact CD2-CG 4.29Å; W47-K116 HydrophobicContact CE3-CD 3.93Å; W47-K116 HydrophobicContact CE3-CG 4.44Å; W47-K116 HydrophobicContact CG-CD 4.03Å; W47-K116 HydrophobicContact CG-CG 4.19Å; W47-K116 HydrophobicContact CZ3-CD 4.41Å; W47-K116 VanDerWaalsContact NE1-CE 3.3Å; L102-K116 HydrophobicContact CD1-CB 3.9Å; L102-K116 HydrophobicContact CD1-CD 4.13Å; L102-K116 HydrophobicContact CD1-CG 4.29Å; F104-K116 WeakPolarHBondContact O-CA 3.36Å; D105-K116 IonicContact OD1-NZ 3.79Å; D105-K116 PolarHBondContact OD1-NZ 3.38Å; D105-K116 IonicContact OD2-NZ 2.88Å; D105-K116 PolarHBondContact OD2-NZ 2.82Å; T107-K116 HydrophobicContact CG2-CG 4.25Å; K116-Y118 HydrophobicContact CB-CD2 4.32Å; K116-Y118 HydrophobicContact CB-CE2 3.68Å; K116-Y118 HydrophobicContact CD-CE2 4.27Å
117I92.5Very high67.8Low28 Ų2884.2 Ų84.214%0.14450%0.5CS..EExtended strand (participates in β ladder)trans-107.4124.6177.2-55.1177.6000109.6L36 L42 F43 R103 F104 Y115L36-I117 HydrophobicContact CD1-CB 4.24Å; L36-I117 HydrophobicContact CD1-CD1 3.43Å; L36-I117 VanDerWaalsContact CD1-CD1 3.43Å; L36-I117 HydrophobicContact CD1-CG1 3.62Å; L36-I117 HydrophobicContact CD1-CG2 3.65Å; L42-I117 HydrophobicContact CB-CG2 4.27Å; L42-I117 HydrophobicContact CD2-CG2 4.32Å; F43-I117 WeakPolarHBondContact O-CA 3.39Å; R103-I117 HydrophobicContact CB-CG2 4.39Å; R103-I117 PolarHBondContact N-O 3Å; F104-I117 HydrophobicContact CB-CB 3.93Å; F104-I117 HydrophobicContact CB-CD1 3.85Å; F104-I117 HydrophobicContact CB-CG1 3.95Å; F104-I117 HydrophobicContact CD1-CD1 4.07Å; F104-I117 HydrophobicContact CD1-CG1 4.18Å; F104-I117 HydrophobicContact CG-CD1 4.26Å; F104-I117 PolarHBondContact N-O 3.49Å; F104-I117 PolarHBondContact O-N 3.03Å; Y115-I117 HydrophobicContact CD2-CG1 4.09Å; Y115-I117 HydrophobicContact CE2-CD1 4.01Å; Y115-I117 HydrophobicContact CE2-CG1 4Å
118Y93.9Very high65.9Low5 Ų586.3 Ų86.32%0.0253%0.529CS..EExtended strand (participates in β ladder)trans-113.4139.1177.4-70.9-90000111.2L42 F43 I45 L94 F100 R101 L102 K116L42-Y118 WeakPolarHBondContact CA-O 3.44Å; F43-Y118 WeakPolarHBondContact CD1-O 3.41Å; F43-Y118 HydrophobicContact CZ-CG 4.36Å; F43-Y118 PolarHBondContact N-O 3.36Å; F43-Y118 PolarHBondContact O-N 2.98Å; I45-Y118 HydrophobicContact CD1-CD2 3.71Å; I45-Y118 HydrophobicContact CD1-CE2 3.73Å; I45-Y118 HydrophobicContact CG1-CD2 4.01Å; I45-Y118 HydrophobicContact CG1-CE2 4.27Å; L94-Y118 HydrophobicContact CB-CE1 4.26Å; L94-Y118 HydrophobicContact CD1-CE1 4.28Å; L94-Y118 HydrophobicContact CD1-CE2 4.17Å; L94-Y118 HydrophobicContact CD2-CE1 4.44Å; F100-Y118 HydrophobicContact CB-CD1 4.36Å; R101-Y118 CarbonylContact O-C 3.53Å; R101-Y118 WeakPolarHBondContact O-CA 3.5Å; L102-Y118 HydrophobicContact CB-CD1 4.32Å; L102-Y118 HydrophobicContact CB-CE1 4.04Å; L102-Y118 HydrophobicContact CD1-CD1 4.23Å; L102-Y118 HydrophobicContact CD1-CD2 4.38Å; L102-Y118 HydrophobicContact CD1-CE1 3.81Å; L102-Y118 HydrophobicContact CD1-CE2 3.97Å; K116-Y118 HydrophobicContact CB-CD2 4.32Å; K116-Y118 HydrophobicContact CB-CE2 3.68Å; K116-Y118 HydrophobicContact CD-CE2 4.27Å
119E93.6Very high64.5Low48 Ų4886.8 Ų86.822%0.22453%0.534CS..EExtended strand (participates in β ladder)trans-98.7134171.6-178.6176.8-160.600110.5R41 L42 F100 R101 R103R41-E119 CarbonylContact O-C 3.55Å; R41-E119 VanDerWaalsContact O-CA 3.3Å; R41-E119 WeakPolarHBondContact O-CA 3.43Å; L42-E119 HydrophobicContact CD2-CB 3.59Å; L42-E119 HydrophobicContact CD2-CG 3.99Å; F100-E119 CarbonylContact C-O 3.6Å; F100-E119 WeakPolarHBondContact CA-O 3.35Å; R101-E119 HydrophobicContact CB-CB 4.35Å; R101-E119 PolarHBondContact N-O 3.4Å; R101-E119 PolarHBondContact O-N 3.45Å; R103-E119 WeakPolarHBondContact CD-OE2 3.4Å; R103-E119 HydrophobicContact CG-CB 3.7Å; R103-E119 IonicContact CZ-OE2 3.92Å; R103-E119 IonicContact NE-OE2 2.7Å; R103-E119 IonicContact NH1-OE2 2.74Å; R103-E119 PolarHBondContact NH1-OE2 3.4Å
120V92.4Very high64.6Low11 Ų1184 Ų847%0.06753%0.53CS..EExtended strand (participates in β ladder)trans-85.3119.9173.7-1740000109.3K18 L22 W35 R41 F43 F100K18-V120 VanDerWaalsContact CE-CG1 3.45Å; L22-V120 HydrophobicContact CD1-CG1 4.33Å; L22-V120 HydrophobicContact CD2-CG2 3.73Å; W35-V120 HydrophobicContact CH2-CG2 3.89Å; W35-V120 HydrophobicContact CZ3-CG2 4.07Å; R41-V120 PolarHBondContact O-N 3.01Å; F43-V120 HydrophobicContact CD1-CG2 4Å; F43-V120 HydrophobicContact CE1-CG2 3.8Å; F100-V120 HydrophobicContact CD1-CG2 4.44Å; F100-V120 HydrophobicContact CE1-CG2 4.21Å
121C88.8Confident63.7Low33 Ų3384.1 Ų84.122%0.22353%0.531CS..PPolyproline II helixtrans-93.4131.2175.7-59.50000110.5K18 E99K18-C121 PolarHBondContact NZ-O 3Å; E99-C121 PolarHBondContact O-N 3.43Å
122D77.5Confident62.6Low97 Ų9784.8 Ų84.852%0.51955%0.549SS..PPolyproline II helixtrans-96.3121.7173.3-64.9-36.4000109.5K18 T124K18-D122 IonicContact NZ-OD1 3.33Å; K18-D122 PolarHBondContact NZ-OD1 2.95Å; D122-T124 PolarHBondContact O-N 3.05Å
123G58.2Low62.3Low88 Ų8884.2 Ų84.291%0.90755%0.553SS**  trans-74.742.5-171.400000115
124T42.2Very low60.6Low131 Ų13181.9 Ų81.980%0.80456%0.561SS**  trans-118.2105175.646.80000110.1D122D122-T124 PolarHBondContact O-N 3.05Å
125G35.2Very low58.6Low82 Ų8286.8 Ų86.885%0.84559%0.592SS**  trans150.997.5167.900000114.3
126A35.3Very low55.7Low99 Ų9990.7 Ų90.782%0.81861%0.611SS**  trans-82.8159171.500000112.3
127A40.2Very low52.7Low110 Ų11096.5 Ų96.591%0.90964%0.639SS**  trans57.2116.9155.900000119.3
128G30.1Very low49.8Very low82 Ų82100.8 Ų100.885%0.84567%0.671SS**  trans151.292.1161.800000114
129E31.3Very low46.6Very low185 Ų185106.2 Ų106.286%0.86471%0.71SS**  trans-88.2172.8147.5-111.6-174-168.700108.3
130P53.4Low43.5Very low105 Ų105111.5 Ų111.568%0.68274%0.74SS**  cis-134.5166.9-14.433.7-15.5000113.2
131T31Very low40.5Very low149 Ų149114.7 Ų114.791%0.91478%0.775SS**  trans-167.2123.3144.223.80000112.1
132G29.2Very low37.6Very low75 Ų75118.1 Ų118.177%0.77381%0.806SS**  78.7126.3129.500000120.6
133P52.7Low35.4Very low127 Ų127121.6 Ų121.683%0.82582%0.819SS**  trans-96151.8-178.137.7-31.5000113.3
134V33.5Very low34.1Very low146 Ų146124.3 Ų124.389%0.88581%0.813SS**  trans-153.7154.7157.2-1040000110.4
135P39.3Very low33.9Very low114 Ų114126 Ų12674%0.7481%0.811SS**  trans-113172.7-144.238.8-27000114.4
136F28.1Very low33.7Very low171 Ų171128.3 Ų128.375%0.7580%0.804SS**  128.6134.4129.5-155.7-129.3000118
137Q27.9Very low33.7Very low141 Ų141130.9 Ų130.966%0.65980%0.799SS**  trans74.898.3151.2-90.2179.5-300123.2
138S31.3Very low33.4Very low117 Ų117134.4 Ų134.482%0.81880%0.797SS**  23.9127120.9-49.60000120.9
139S27.8Very low33.7Very low119 Ų119135 Ų13583%0.83278%0.784SS**  -160.6137.1128.5-179.10000110.9
140N29.3Very low33.9Very low159 Ų159135.3 Ų135.385%0.8578%0.777SS**  trans-72.3157.2-171.4-69-29.4000114.8
141G28Very low33.2Very low78 Ų78135.3 Ų135.380%0.80477%0.771SS**  77.4110.8126.800000119.4
142A29Very low33.4Very low106 Ų106139.3 Ų139.388%0.87677%0.769SS**  trans171.497.5132.700000108.5
143E29.5Very low33.7Very low170 Ų170138.8 Ų138.879%0.79475%0.751SS**  trans-97.3113.9161.3-67.5-173.1168.900106.2
144D30.8Very low32.8Very low145 Ų145138.9 Ų138.978%0.77575%0.749SS**  trans-142.1138.5156.8-99.2-29000109.1
145E38.4Very low32.8Very low166 Ų166139.2 Ų139.278%0.77674%0.743SS**  trans60.7105146.7-58.4-179.2167.900118.1
146D31Very low32.8Very low131 Ų131139.1 Ų139.170%0.70174%0.742SS**  trans168.856.6143.5-83.9-24.6000110.7
147E36Very low33Very low152 Ų152137.4 Ų137.471%0.7174%0.74SS**  trans-960.2179.9-163.3134.616800114.1
148E33.9Very low33.2Very low184 Ų184138.9 Ų138.986%0.8675%0.752SS**SBendtrans-84.5-17.7-170-140174.4-177.600115
149V36.4Very low33.2Very low96 Ų96138.8 Ų138.858%0.58275%0.747SS**G310 helixtrans-93.4-13-170.8-175.10000113.9A84 I151A84-V149 HydrophobicContact CB-CG1 3.78Å; V149-I151 VanDerWaalsContact C-N 3.28Å; V149-I151 PolarHBondContact O-N 3.47Å
150R36.3Very low33.4Very low190 Ų190139.9 Ų139.972%0.71774%0.743SS**G310 helixtrans-79.4-1.2-175.4-71.1-170.1-171.5-177.18115
151I37.9Very low33.4Very low106 Ų106140.5 Ų140.554%0.54475%0.746SS.*G310 helixtrans-91-15.6-171.1-49.2-152.4000113.8V149 K316V149-I151 VanDerWaalsContact C-N 3.28Å; V149-I151 PolarHBondContact O-N 3.47Å; I151-K316 HydrophobicContact CD1-CD 3.77Å; I151-K316 HydrophobicContact CG1-CD 4.38Å; I151-K316 HydrophobicContact CG2-CD 3.93Å
152R34.6Very low33.4Very low233 Ų233141.7 Ų141.788%0.87974%0.741SS**SBendtrans-95.37.5-168.8-76.1-170.9173.4-179.6-0.6117.9
153T35.9Very low33.5Very low63 Ų63144.5 Ų144.539%0.38774%0.74SS.*SBendtrans-135.627.9-168.3-37.30000118K85K85-T153 HydrophobicContact CD-CG2 3.72Å; K85-T153 HydrophobicContact CG-CG2 4.03Å
154V33Very low33.5Very low129 Ų129145.2 Ų145.278%0.78274%0.741SS**  trans-141.798.1167.8-167.50000112.2
155M33.4Very low33.6Very low154 Ų154144 Ų14476%0.75974%0.74SS**  trans-137.3131.7146.2-86.9-79.4-179.700106.6F319M155-F319 HydrophobicContact CE-CE2 4.39Å; M155-F319 HydrophobicContact CE-CZ 4.08Å
156P40.8Very low33.1Very low112 Ų112147 Ų14773%0.72774%0.744SS**  trans-84.9150.1166.832.8-27.9000111.3
157D31.2Very low33Very low134 Ų134148.9 Ų148.972%0.71775%0.753SS**  trans-67.2133176.2-171.66.6000111.7T159D157-T159 PolarHBondContact OD1-N 3.29Å; D157-T159 PolarHBondContact OD1-OG1 3.47Å
158L32.6Very low32.8Very low172 Ų172149.8 Ų149.890%0.90176%0.757SS**  trans-144.678168.2-115.1157.8000107.2
159T31.8Very low33.1Very low115 Ų115146.5 Ų146.571%0.70675%0.752SS**  trans-84.8117.4160.937.20000108.2D157D157-T159 PolarHBondContact OD1-N 3.29Å; D157-T159 PolarHBondContact OD1-OG1 3.47Å
160D31.2Very low32.7Very low142 Ų142146.2 Ų146.276%0.75976%0.76SS**  158.9103.5123.2-164.920.3000110
161L29.3Very low32.4Very low173 Ų173142.6 Ų142.691%0.90676%0.764SS**  trans-164.197.6143.3-93.1-177.7000107
162S27.8Very low32.1Very low102 Ų102147.2 Ų147.271%0.71378%0.78SS**  trans-70.1121.9174.9176.70000111.8
163I30.5Very low32.3Very low165 Ų165141.6 Ų141.685%0.84677%0.774SS**  trans-142114.4149.4-58.1-177.3000108.6
164K29.9Very low32.8Very low186 Ų186143.1 Ų143.181%0.80979%0.785SS**  trans-85.2148.4164.9-76.6179.8175.4173.60109.3
165P32.9Very low32.5Very low118 Ų118147.3 Ų147.377%0.76679%0.793SS**  -140.1133.683.727.9-7.8000113.2
166R27.5Very low32.3Very low229 Ų229143.6 Ų143.686%0.86479%0.794SS**  54.3104.193.1-164.5178.2-169.6166.93.1114.6
167I30.2Very low31.7Very low171 Ų171144 Ų14488%0.87780%0.799SS**  trans-153.8140.4131.9-86146.5000107
168E32.3Very low31.7Very low171 Ų171141.8 Ų141.880%0.79980%0.8SS**  trans-106.4-178.9-172.2-118.3-173.3-15000110.8
169P38.8Very low31.7Very low116 Ų116143 Ų14375%0.75380%0.801SS**  -115.6171.8-127.939.9-24.5000115.1
170A28.8Very low31.6Very low90 Ų90143.5 Ų143.574%0.74480%0.804SS**  trans-149.3104.8162.200000108.2
171S29.2Very low31.5Very low114 Ų114144 Ų14480%0.79781%0.805SS**  92.698.986.6710000113.3
172F32.9Very low32Very low202 Ų202141 Ų14189%0.88680%0.796SS**  trans-66.5165.2146.8-80.8-78.1000109.2
173P38.9Very low32.2Very low116 Ų116144.5 Ų144.575%0.75380%0.803SS**  -159-146.550.442.8-16.2000114.4
174P46.4Very low32.6Very low95 Ų95142.2 Ų142.262%0.61780%0.799SS**  -132.7-178.3-61.527.8-5.4000115.6
175F26.9Very low32.5Very low216 Ų216141.6 Ų141.695%0.94780%0.804SS**  trans89.2132.9154.4-74.6-76.4000121.9
176G27.7Very low32.5Very low77 Ų77143.3 Ų143.379%0.79481%0.806SS**  trans163.596.4157.100000114
177S29.8Very low32.7Very low119 Ų119138.7 Ų138.783%0.83281%0.805SS**  trans-71.8152.7-178.748.40000115.8
178A30.4Very low32.5Very low89 Ų89137.3 Ų137.374%0.73680%0.799SS**  trans-5135156.200000119.7
179Q32Very low32.3Very low196 Ų196135.6 Ų135.692%0.91680%0.8SS**  trans-149.3145.1135.2-72.4-153.6-11.900112.1
180V29.3Very low31.8Very low126 Ų126133.7 Ų133.776%0.76479%0.789SS**  trans-106.9172.4-177.2175.80000108.2
181I30.3Very low31.6Very low152 Ų152136.1 Ų136.178%0.77979%0.786SS**  trans101.4142.7154.9-49.1171000114
182P38.6Very low31.6Very low111 Ų111137.8 Ų137.872%0.72179%0.785SS**  cis-138.1171.7-33.539.3-22000115.3
183M33.8Very low31.6Very low175 Ų175136.7 Ų136.786%0.86278%0.782SS**  trans-64.7153.9157.5-101.9-82.2-143.500113
184P38.2Very low31.6Very low118 Ų118136.5 Ų136.577%0.76678%0.781SS**  trans-106.8137.6153.36.414.5000112.9
185L28.6Very low30.6Very low172 Ų172143.8 Ų143.890%0.90180%0.796SS**  trans-73.6158.9177.2-77150.8000113.8
186L32.4Very low30.6Very low155 Ų155136.9 Ų136.981%0.81279%0.786SS**  trans-49170.6165.1-70.2157.5000114.6
187P31.3Very low30.5Very low131 Ų131138.5 Ų138.585%0.85179%0.785SS**  -117.8139124.8-2.222.1000114.1
188L26.6Very low30.5Very low143 Ų143141.3 Ų141.375%0.74979%0.787SS**  trans-93.5143.2170.6174.375.9000109.8
189T28.2Very low30.3Very low135 Ų135141.6 Ų141.683%0.82879%0.79SS**  trans-145.6104143.856.20000105.3
190S27.1Very low30.1Very low75 Ų75139.4 Ų139.452%0.52478%0.784SS.*  48.1115.874.9-116.60000111
191E26.1Very low30.7Very low142 Ų142138.8 Ų138.866%0.66478%0.783SS**  -175.9149.567.1-92.2-65.2101.300112.2
192L28.7Very low30.7Very low149 Ų149138.9 Ų138.978%0.7878%0.78SS**  trans80.7101.1139.9-63.9160.1000123.1
193Q31.6Very low30.8Very low178 Ų178139.4 Ų139.483%0.83278%0.783SS**  trans-64.5174.1133-69.4-178.8-48.900110.2
194P39.5Very low30.7Very low112 Ų112138.4 Ų138.473%0.72778%0.777SS**  cis-152.1179.62438.2-13.7000119.2
195R25.5Very low31Very low249 Ų249137.7 Ų137.794%0.9477%0.772SS**  trans93.6130.6133.9-120.1179.4175.3179.2-1.8122.5
196G26.4Very low31Very low71 Ų71135 Ų13573%0.73276%0.763SS**  trans12497.8153.700000112.7
197S27.2Very low30.8Very low111 Ų111132.8 Ų132.878%0.77676%0.755SS**  70.6102.958.1-162.50000115.1
198M27.9Very low30.6Very low177 Ų177133 Ų13387%0.87275%0.749SS**  151.7142.9121.8-83.8-83.2-157.100113.9
199A27.2Very low30.8Very low95 Ų95133.8 Ų133.879%0.78575%0.748SS**  trans95.2104.9144.800000120.6
200D27.4Very low30.8Very low151 Ų151131.7 Ų131.781%0.80774%0.739SS**  trans-51.3173.9139.5-126.5-2.1000111.5
201P43Very low30.9Very low112 Ų112132.6 Ų132.673%0.72775%0.751SS**  cis-143.8175.424.633.5-8.7000117.9
202E30.2Very low31Very low155 Ų155136.5 Ų136.572%0.72476%0.76SS**  trans-44.3159.4153.6-133.1-170148.900113.2
203P40.2Very low31.2Very low122 Ų122137 Ų13779%0.79276%0.76SS**  -155.2153.683.839.3-18.8000117.6
204E31.9Very low31.3Very low154 Ų154137.1 Ų137.172%0.7276%0.76SS**  trans-69.3161.2146.9-90.7-100.8162.400109.8
205P43.8Very low30.7Very low102 Ų102135.5 Ų135.566%0.66276%0.764SS**  -164.9-179.26538.4-12.4000120.2
206T28.8Very low30.7Very low116 Ų116127.8 Ų127.871%0.71276%0.762SS**  trans77.4148.1142.630.80000119.9
207V28.2Very low30.8Very low109 Ų109132.9 Ų132.966%0.66177%0.767SS**  cis-175.712823.8116.60000106.9
208L28.2Very low30.9Very low135 Ų135135 Ų13571%0.70776%0.764SS**  97.9140.697.2-75.4-176.8000119.7
209H29.4Very low31Very low160 Ų160134.9 Ų134.974%0.74176%0.761SS**  trans79.5141.7143.1-81.857.7000119.2
210S28.9Very low31.2Very low91 Ų91133.8 Ų133.864%0.63676%0.759SS**  cis-176.6155-3.1-110.40000110.8
211A28.3Very low31.3Very low94 Ų94133.9 Ų133.978%0.77777%0.765SS**  trans47.9153.3139.400000120.9
212R29.7Very low30.7Very low223 Ų223138.1 Ų138.184%0.84277%0.767SS**  cis-171.2162.230.2-173.4162.1176.4152.80.3111.8
213M31.9Very low31.5Very low160 Ų160135.9 Ų135.979%0.78877%0.766SS**  trans-56.3160.3174.5-61.7-82.8-164.200119.3
214H33.7Very low30.9Very low180 Ų180136.5 Ų136.583%0.83376%0.758SS**  177.4146.3119-89.3-50.8000108.4
215G26.2Very low31.8Very low79 Ų79133.9 Ų133.981%0.81475%0.754SS**  cis139.5134.412.300000108.7
216G26.3Very low31.2Very low86 Ų86136.3 Ų136.389%0.88777%0.767SS**  trans168.9106.6170.300000116.5
217Q28.7Very low31.3Very low179 Ų179134 Ų13484%0.83677%0.767SS**  trans-77.3163.3176.6-77.81680.200112.9
218Q28.8Very low31.7Very low156 Ų156134.6 Ų134.673%0.72977%0.772SS**  -178.9142.284.1-84.5176.774.800114.6
219H31.2Very low31.9Very low173 Ų173133.4 Ų133.480%0.80178%0.775SS**  trans61.1135.5138.8-60.721.4000119.4
220G30.7Very low32Very low73 Ų73134.9 Ų134.975%0.75378%0.783SS**  cis12484.24.900000113.1
221V29.3Very low32.3Very low153 Ų153136 Ų13693%0.92779%0.787SS**  trans-160.2135.5160.9-1730000112.3
222R30.6Very low32.5Very low201 Ų201136 Ų13676%0.75879%0.788SS**  trans-143.2147.5155.4-179.7173.6174.7-177.6-1.9105.2E224R222-E224 IonicContact NH2-OE1 3.01Å; R222-E224 PolarHBondContact NH2-OE1 3.11Å
223P45.8Very low32.5Very low108 Ų108131.4 Ų131.470%0.70178%0.784SS**  -150.6163.951.417.213.3000122.8
224E28.2Very low32.8Very low135 Ų135131.7 Ų131.763%0.63179%0.788SS**  trans79.7169.3140.1-65.4-7412600120.2R222R222-E224 IonicContact NH2-OE1 3.01Å; R222-E224 PolarHBondContact NH2-OE1 3.11Å
225P50.3Low32.9Very low98 Ų98129.7 Ų129.764%0.63678%0.779SS**  -135.2151.2-78.738-19.5000114.1
226V32.3Very low33.5Very low153 Ų153131 Ų13193%0.92777%0.773SS**  trans-147.7112.5163.2-1730000112.4
227G31.5Very low34.3Very low69 Ų69131.4 Ų131.471%0.71177%0.768SS**  81.2141.2127.400000119.9
228P36.7Very low34.7Very low120 Ų120126.1 Ų126.178%0.77976%0.755SS**  trans-92.5145.4-158.436.9-33.2000114.9
229S31.1Very low35.3Very low110 Ų110124.9 Ų124.977%0.76975%0.749SS**  36.2108.3126.8-29.80000119.4
230E31.3Very low35.9Very low192 Ų192120.8 Ų120.890%0.89773%0.731SS**  trans-104126.5133.4-78-169.9154.500107.7A232E230-A232 PolarHBondContact O-N 3.5Å
231P35.8Very low36.6Very low113 Ų113119.1 Ų119.173%0.73471%0.707SS**  trans-72.8115.517329.5-28.1000107.7V233P231-V233 PolarHBondContact O-N 3.23Å
232A31.9Very low37.4Very low96 Ų96116.9 Ų116.979%0.79369%0.689SS**  trans-54.5110159.200000107.1E230 L234E230-A232 PolarHBondContact O-N 3.5Å; A232-L234 PolarHBondContact O-N 3.3Å
233V31Very low38.1Very low125 Ų125109.5 Ų109.576%0.75867%0.667SS**  trans-56.2104.5175175.60000107.1P231 Q235P231-V233 PolarHBondContact O-N 3.23Å; V233-Q235 VanDerWaalsContact C-N 3.32Å; V233-Q235 PolarHBondContact O-N 3.36Å
234L37.6Very low38Very low166 Ų166105.1 Ų105.187%0.86964%0.638SS**  trans-57.4100.7160.7-79158.4000106.4A232A232-L234 PolarHBondContact O-N 3.3Å
235Q35Very low39Very low138 Ų138102.8 Ų102.865%0.64563%0.629SS**  trans-60.2126166.4-74.3179.75.700107.5V233V233-Q235 VanDerWaalsContact C-N 3.32Å; V233-Q235 PolarHBondContact O-N 3.36Å
236P40.3Very low38.8Very low106 Ų106103.2 Ų103.269%0.68863%0.63SS**  trans-73.5159.3-17529.8-32.2000110.4A238P236-A238 PolarHBondContact O-N 3.21Å
237A42.6Very low39.7Very low95 Ų95101.7 Ų101.779%0.78562%0.615SS**G310 helixtrans-50.916.4-174.400000118.9Q239A237-Q239 VanDerWaalsContact C-N 3.34Å; A237-Q239 PolarHBondContact O-N 2.96Å
238A37.4Very low40.8Very low68 Ų6899.6 Ų99.656%0.56259%0.591SS**G310 helixtrans-72.9-18.6-177.900000114.5P236 M240P236-A238 PolarHBondContact O-N 3.21Å; A238-M240 VanDerWaalsContact C-N 3.35Å; A238-M240 PolarHBondContact O-N 3.11Å
239Q40.3Very low42Very low130 Ų13097.2 Ų97.261%0.60758%0.576SS**G310 helixtrans-79-11.7-173.2-73.2173.610.500114.6A237A237-Q239 VanDerWaalsContact C-N 3.34Å; A237-Q239 PolarHBondContact O-N 2.96Å
240M44.1Very low43.4Very low87 Ų8797.8 Ų97.843%0.42957%0.566SS.*G310 helixtrans-114.72.4-176-62.2-145.28200115.8A238 P243 I386 K390A238-M240 VanDerWaalsContact C-N 3.35Å; A238-M240 PolarHBondContact O-N 3.11Å; M240-P243 WeakPolarHBondContact O-CD 3.5Å; M240-I386 HydrophobicContact CB-CG2 4.3Å; M240-I386 VanDerWaalsContact O-CD1 3.28Å; M240-I386 WeakPolarHBondContact O-CD1 3.3Å; M240-K390 WeakPolarHBondContact SD-CE 3.38Å; M240-K390 PolarHBondContact SD-NZ 2.91Å
241V45.1Very low45.1Very low38 Ų3890.1 Ų90.123%0.2353%0.531CS..THydrogen-bonded Turntrans-80.9-26.6164.2-171.20000110.4L244 I245 I386V241-L244 PolarHBondContact O-N 3.5Å; V241-I245 HydrophobicContact CG1-CD1 4.03Å; V241-I386 HydrophobicContact CG2-CD1 4.48Å
242L45.7Very low46.5Very low106 Ų10686.7 Ų86.756%0.55551%0.506SS*.Hα-helixtrans-59.4-37177.6-75.6162.6000115.8L244 T246L242-L244 PolarHBondContact O-N 3.4Å; L242-T246 VanDerWaalsContact O-CB 3.25Å; L242-T246 WeakPolarHBondContact O-CB 3.33Å; L242-T246 PolarHBondContact O-N 3.16Å; L242-T246 VanDerWaalsContact O-N 3.14Å; L242-T246 PolarHBondContact O-OG1 2.84Å
243P45.4Very low48.3Very low46 Ų4688.5 Ų88.530%0.29950%0.496SS..Hα-helixtrans-63.1-41.6179.4-15.829.1000111.5M240 T246 I247M240-P243 WeakPolarHBondContact O-CD 3.5Å; P243-T246 CarbonylContact O-C 3.58Å; P243-T246 PolarHBondContact O-N 3.47Å; P243-I247 HydrophobicContact CB-CD1 3.78Å; P243-I247 WeakPolarHBondContact O-CB 3.44Å; P243-I247 WeakPolarHBondContact O-CD1 3.13Å; P243-I247 WeakPolarHBondContact O-CG1 3.46Å; P243-I247 PolarHBondContact O-N 3.14Å
244L45.2Very low50.7Low17 Ų1784.6 Ų84.69%0.08947%0.471CS..Hα-helixtrans-73.6-37.8-171.9-145.3134.9000112.8V241 L242 T246 A248 L382 L432 F436V241-L244 PolarHBondContact O-N 3.5Å; L242-L244 PolarHBondContact O-N 3.4Å; L244-T246 VanDerWaalsContact C-N 3.27Å; L244-T246 PolarHBondContact O-N 3.2Å; L244-A248 PolarHBondContact O-N 3.12Å; L244-L382 HydrophobicContact CD1-CD2 3.83Å; L244-L382 HydrophobicContact CD2-CD1 4.17Å; L244-L382 HydrophobicContact CD2-CD2 3.44Å; L244-L382 VanDerWaalsContact CD2-CD2 3.44Å; L244-L382 HydrophobicContact CD2-CG 4.45Å; L244-L382 HydrophobicContact CG-CD2 4.25Å; L244-L432 HydrophobicContact CD2-CD1 4.12Å; L244-L432 HydrophobicContact CD2-CD2 3.68Å; L244-L432 HydrophobicContact CG-CD2 4.33Å; L244-F436 HydrophobicContact CD1-CE1 3.92Å; L244-F436 HydrophobicContact CD1-CE2 3.57Å; L244-F436 HydrophobicContact CD1-CZ 3.22Å; L244-F436 HydrophobicContact CG-CE2 4.25Å; L244-F436 HydrophobicContact CG-CZ 4.03Å
245I49.2Very low53.2Low85 Ų8578.2 Ų78.244%0.43644%0.439SS..Hα-helixtrans-66.7-31.1172-60.1170.4000111V241 L252V241-I245 HydrophobicContact CG1-CD1 4.03Å; I245-L252 HydrophobicContact CG1-CD1 4.31Å; I245-L252 HydrophobicContact CG2-CD1 4.36Å
246T45.9Very low56Low107 Ų10774 Ų7466%0.65642%0.42SS*.Hα-helixtrans-86.7-31.3-178.8-50.30000112.9L242 P243 L244L242-T246 VanDerWaalsContact O-CB 3.25Å; L242-T246 WeakPolarHBondContact O-CB 3.33Å; L242-T246 PolarHBondContact O-N 3.16Å; L242-T246 VanDerWaalsContact O-N 3.14Å; L242-T246 PolarHBondContact O-OG1 2.84Å; P243-T246 CarbonylContact O-C 3.58Å; P243-T246 PolarHBondContact O-N 3.47Å; L244-T246 VanDerWaalsContact C-N 3.27Å; L244-T246 PolarHBondContact O-N 3.2Å
247I50.5Low58.7Low122 Ų12269.1 Ų69.163%0.62639%0.389SS*.Hα-helixtrans-78.8-31.9-174.7-70.8161.2000111.8P243P243-I247 HydrophobicContact CB-CD1 3.78Å; P243-I247 WeakPolarHBondContact O-CB 3.44Å; P243-I247 WeakPolarHBondContact O-CD1 3.13Å; P243-I247 WeakPolarHBondContact O-CG1 3.46Å; P243-I247 PolarHBondContact O-N 3.14Å
248A55.8Low61.3Low25 Ų2565.7 Ų65.721%0.20736%0.357CS..  trans-157.472.4179.600000113.5L244 E250 L251L244-A248 PolarHBondContact O-N 3.12Å; A248-E250 PolarHBondContact O-N 3.37Å; A248-E250 VanDerWaalsContact O-N 3.09Å; A248-L251 HydrophobicContact CB-CB 4.34Å; A248-L251 HydrophobicContact CB-CD1 3.62Å; A248-L251 HydrophobicContact CB-CG 3.84Å; A248-L251 PolarHBondContact O-N 3.28Å
249P60.5Low64.2Low70 Ų7062.5 Ų62.546%0.45533%0.331SS..THydrogen-bonded Turntrans-59.9-20.6176.123.8-33.2000113.4L252P249-L252 WeakPolarHBondContact O-CB 3.3Å; P249-L252 PolarHBondContact O-N 2.89Å
250E61.9Low67Low121 Ų12160.1 Ų60.157%0.56532%0.318SS*.THydrogen-bonded Turntrans-67.4-31.9174.2-63.4-57.6144.900113A248 L252 K253A248-E250 PolarHBondContact O-N 3.37Å; A248-E250 VanDerWaalsContact O-N 3.09Å; E250-L252 PolarHBondContact O-N 3.44Å; E250-K253 WeakPolarHBondContact O-CB 3.27Å; E250-K253 PolarHBondContact O-N 2.94Å; E250-K253 VanDerWaalsContact O-N 3.09Å; E250-K253 IonicContact OE1-NZ 2.78Å; E250-K253 PolarHBondContact OE1-NZ 3.19Å; E250-K253 WeakPolarHBondContact OE2-CD 3.5Å; E250-K253 WeakPolarHBondContact OE2-CE 3.44Å; E250-K253 IonicContact OE2-NZ 2.76Å; E250-K253 PolarHBondContact OE2-NZ 3.4Å
251L65.2Low69.6Low32 Ų3256.1 Ų56.117%0.16830%0.298CS..G310 helixtrans-67.3-25.8177.1-69.3175.9000111.9A248 K253 I254 V428 I431 L432 M435A248-L251 HydrophobicContact CB-CB 4.34Å; A248-L251 HydrophobicContact CB-CD1 3.62Å; A248-L251 HydrophobicContact CB-CG 3.84Å; A248-L251 PolarHBondContact O-N 3.28Å; L251-K253 PolarHBondContact O-N 3.49Å; L251-I254 HydrophobicContact CD2-CD1 3.58Å; L251-I254 WeakPolarHBondContact O-CB 3.45Å; L251-I254 PolarHBondContact O-N 3.47Å; L251-V428 WeakPolarHBondContact O-CG2 3.42Å; L251-I431 HydrophobicContact CD1-CG2 4.44Å; L251-I431 HydrophobicContact CD2-CG2 4Å; L251-L432 HydrophobicContact CD1-CD2 4.08Å; L251-M435 HydrophobicContact CD1-CE 4.08Å; L251-M435 HydrophobicContact CD1-SD 3.59Å; L251-M435 VanDerWaalsContact CD1-SD 3.59Å
252L65.2Low72.1Confident40 Ų4058.9 Ų58.921%0.20931%0.305CS..G310 helixtrans-71.5-15.6176.3-62.8177.3000112.7I245 P249 E250 I254 Q339 L378I245-L252 HydrophobicContact CG1-CD1 4.31Å; I245-L252 HydrophobicContact CG2-CD1 4.36Å; P249-L252 WeakPolarHBondContact O-CB 3.3Å; P249-L252 PolarHBondContact O-N 2.89Å; E250-L252 PolarHBondContact O-N 3.44Å; L252-I254 VanDerWaalsContact C-N 3.32Å; L252-Q339 VanDerWaalsContact C-NE2 3.29Å; L252-Q339 PolarHBondContact O-NE2 3.13Å; L252-L378 HydrophobicContact CD2-CD2 3.84Å
253K70.9Confident74.6Confident134 Ų13453.9 Ų53.958%0.58328%0.279SS*.G310 helixtrans-84.9-9174.9-57.3179.5-167.4161.20112.7E250 L251 T255E250-K253 WeakPolarHBondContact O-CB 3.27Å; E250-K253 PolarHBondContact O-N 2.94Å; E250-K253 VanDerWaalsContact O-N 3.09Å; E250-K253 IonicContact OE1-NZ 2.78Å; E250-K253 PolarHBondContact OE1-NZ 3.19Å; E250-K253 WeakPolarHBondContact OE2-CD 3.5Å; E250-K253 WeakPolarHBondContact OE2-CE 3.44Å; E250-K253 IonicContact OE2-NZ 2.76Å; E250-K253 PolarHBondContact OE2-NZ 3.4Å; L251-K253 PolarHBondContact O-N 3.49Å; K253-T255 PolarHBondContact O-N 3.01Å
254I81.6Confident77Confident44 Ų4457.3 Ų57.323%0.22629%0.286CS..  trans-74.5112.9178.7-60.1177.2000108.7L251 L252 D256 V427 V428 I431L251-I254 HydrophobicContact CD2-CD1 3.58Å; L251-I254 WeakPolarHBondContact O-CB 3.45Å; L251-I254 PolarHBondContact O-N 3.47Å; L252-I254 VanDerWaalsContact C-N 3.32Å; I254-D256 HydrophobicContact CG2-CB 3.92Å; I254-V427 HydrophobicContact CG2-CB 4.35Å; I254-V427 HydrophobicContact CG2-CG1 4.34Å; I254-V428 HydrophobicContact CB-CB 4.34Å; I254-V428 HydrophobicContact CG2-CB 4.41Å; I254-I431 HydrophobicContact CD1-CD1 3.92Å
255T88.5Confident79.2Confident32 Ų3257.9 Ų57.920%0.19630%0.296CS..  trans-106.511.2174.853.10000112.3K253 L257 S274 P276 I336K253-T255 PolarHBondContact O-N 3.01Å; T255-L257 PolarHBondContact O-N 2.69Å; T255-S274 PolarHBondContact OG1-O 3.48Å; T255-P276 HydrophobicContact CG2-CB 4.01Å; T255-P276 WeakPolarHBondContact OG1-CA 3.39Å; T255-I336 HydrophobicContact CG2-CD1 4.5Å; T255-I336 HydrophobicContact CG2-CG2 4.36Å; T255-I336 WeakPolarHBondContact O-CD1 3.36Å
256D94.1Very high81.4Confident48 Ų4859 Ų5926%0.25729%0.294SS..  trans-65.5129.6-175.2-70.6-2000111.6I254 T272 V273 S274 V427I254-D256 HydrophobicContact CG2-CB 3.92Å; D256-T272 HydrophobicContact CB-CG2 3.87Å; D256-V273 CarbonylContact C-O 3.5Å; D256-V273 VanDerWaalsContact CA-O 3.24Å; D256-V273 WeakPolarHBondContact CA-O 3.25Å; D256-S274 WeakPolarHBondContact OD1-CA 3.49Å; D256-S274 WeakPolarHBondContact OD1-CB 3.46Å; D256-S274 PolarHBondContact OD1-OG 2.9Å; D256-V427 HydrophobicContact CB-CB 3.75Å; D256-V427 HydrophobicContact CB-CG1 4.29Å; D256-V427 HydrophobicContact CB-CG2 3.63Å; D256-V427 WeakPolarHBondContact O-CB 3.39Å; D256-V427 WeakPolarHBondContact O-CG2 3.23Å; D256-V427 PolarHBondContact O-N 2.9Å
257L97.3Very high83.8Confident4 Ų456.6 Ų56.62%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-117118.6172.6-55-178.6000109.4T255 L259 T272 V273 L334 I336 I341 V424T255-L257 PolarHBondContact O-N 2.69Å; L257-L259 HydrophobicContact CB-CD2 4.49Å; L257-T272 CarbonylContact O-C 3.55Å; L257-T272 WeakPolarHBondContact O-CA 3.43Å; L257-V273 HydrophobicContact CB-CB 4.36Å; L257-V273 PolarHBondContact N-O 2.91Å; L257-V273 PolarHBondContact O-N 3.45Å; L257-L334 HydrophobicContact CD1-CB 4.49Å; L257-I336 HydrophobicContact CD1-CD1 4.06Å; L257-I336 HydrophobicContact CD1-CG1 4.34Å; L257-I336 HydrophobicContact CD2-CD1 4.33Å; L257-I336 HydrophobicContact CG-CD1 4.08Å; L257-I341 HydrophobicContact CD2-CD1 3.48Å; L257-I341 VanDerWaalsContact CD2-CD1 3.48Å; L257-I341 HydrophobicContact CD2-CG1 4.31Å; L257-V424 HydrophobicContact CB-CG1 4.37Å; L257-V424 HydrophobicContact CD1-CG1 4.44Å
258D98.2Very high85.9Confident24 Ų2452 Ų5213%0.12826%0.261CS..EExtended strand (participates in β ladder)trans-83.7123169.1-73.1-21.7000109.9T272 V424 V425 V427 R430D258-T272 WeakPolarHBondContact OD1-CB 2.96Å; D258-T272 VanDerWaalsContact OD1-CG2 3.31Å; D258-T272 WeakPolarHBondContact OD1-CG2 3.33Å; D258-T272 PolarHBondContact OD1-OG1 3.29Å; D258-V424 WeakPolarHBondContact O-CA 3.19Å; D258-V425 HydrophobicContact CB-CB 4.15Å; D258-V425 PolarHBondContact N-O 3.38Å; D258-V425 PolarHBondContact O-N 3.25Å; D258-V427 HydrophobicContact CB-CG2 4.48Å; D258-R430 IonicContact OD2-CZ 3.97Å; D258-R430 IonicContact OD2-NH1 3.72Å; D258-R430 PolarHBondContact OD2-NH1 3.03Å; D258-R430 IonicContact OD2-NH2 3Å; D258-R430 PolarHBondContact OD2-NH2 3.13Å
259L98.6Very high87.7Confident0 Ų052.4 Ų52.40%027%0.269CS..EExtended strand (participates in β ladder)trans-107129.3178.2-54.2179.8000109.2L257 F261 S270 L271 V273 L281 V304 L334 Q423 V424L257-L259 HydrophobicContact CB-CD2 4.49Å; L259-F261 HydrophobicContact CB-CE2 3.89Å; L259-F261 HydrophobicContact CB-CZ 4.27Å; L259-F261 HydrophobicContact CD1-CZ 4.46Å; L259-S270 CarbonylContact O-C 3.54Å; L259-S270 WeakPolarHBondContact O-CA 3.27Å; L259-S270 WeakPolarHBondContact O-CB 3.4Å; L259-L271 HydrophobicContact CB-CG 4.42Å; L259-L271 HydrophobicContact CD1-CD1 4.05Å; L259-L271 PolarHBondContact N-O 2.78Å; L259-L271 PolarHBondContact O-N 3.04Å; L259-V273 HydrophobicContact CD1-CG2 3.6Å; L259-V273 HydrophobicContact CG-CG2 4.24Å; L259-L281 HydrophobicContact CD1-CD2 3.58Å; L259-V304 HydrophobicContact CD1-CB 4.48Å; L259-V304 HydrophobicContact CD1-CG1 3.96Å; L259-V304 HydrophobicContact CD1-CG2 4.17Å; L259-L334 HydrophobicContact CD2-CD1 4.14Å; L259-Q423 WeakPolarHBondContact CA-O 3.46Å; L259-V424 HydrophobicContact CD2-CB 4.2Å; L259-V424 HydrophobicContact CD2-CG1 3.94Å; L259-V424 HydrophobicContact CD2-CG2 3.72Å
260K98.4Very high89.4Confident80 Ų8053.4 Ų53.435%0.34828%0.277SS..EExtended strand (participates in β ladder)trans-125.5125.2174.9-57.1177.6-178.81720110.1V422 Q423K260-V422 WeakPolarHBondContact O-CA 3.48Å; K260-Q423 HydrophobicContact CB-CB 4.28Å; K260-Q423 PolarHBondContact N-O 3.49Å; K260-Q423 PolarHBondContact O-N 3.4Å
261F98.5Very high91.1Very high3 Ų350.7 Ų50.71%0.01327%0.266CS..EExtended strand (participates in β ladder)trans-104.3132.4-176.2-61.4-94.9000110.6L259 M268 G269 L271 L281 V304 F306 P307 V422L259-F261 HydrophobicContact CB-CE2 3.89Å; L259-F261 HydrophobicContact CB-CZ 4.27Å; L259-F261 HydrophobicContact CD1-CZ 4.46Å; F261-M268 HydrophobicContact CB-CB 4.34Å; F261-M268 PolarHBondContact O-N 3.42Å; F261-G269 PolarHBondContact N-O 2.88Å; F261-L271 HydrophobicContact CE2-CD2 4.17Å; F261-L281 HydrophobicContact CZ-CD2 4.39Å; F261-V304 HydrophobicContact CE2-CG1 4.39Å; F261-V304 HydrophobicContact CZ-CG1 3.82Å; F261-F306 AromaticContact CD1-CD1 3.69Å; F261-F306 HydrophobicContact CD1-CD1 3.69Å; F261-F306 AromaticContact CD1-CE1 3.87Å; F261-F306 HydrophobicContact CD1-CE1 3.87Å; F261-F306 HydrophobicContact CD1-CG 4.43Å; F261-F306 AromaticContact CE1-CD1 3.82Å; F261-F306 HydrophobicContact CE1-CD1 3.82Å; F261-F306 AromaticContact CE1-CE1 3.89Å; F261-F306 HydrophobicContact CE1-CE1 3.89Å; F261-F306 HydrophobicContact CE1-CG 4.21Å; F261-F306 HydrophobicContact CE1-CZ 4.33Å; F261-P307 HydrophobicContact CB-CG 3.9Å; F261-P307 HydrophobicContact CD2-CG 4.39Å; F261-P307 HydrophobicContact CG-CG 4.03Å; F261-V422 HydrophobicContact CD1-CG1 4.44Å; F261-V422 HydrophobicContact CD1-CG2 3.62Å; F261-V422 HydrophobicContact CE1-CG1 4.24Å; F261-V422 HydrophobicContact CE1-CG2 3.81Å
262W98Very high92.6Very high97 Ų9752.4 Ų52.437%0.36728%0.278SS..EExtended strand (participates in β ladder)trans-133.4130.8-179.3-64.579.8000111.3G265 R266 A267 M421W262-G265 VanDerWaalsContact CE3-O 3.31Å; W262-G265 VanDerWaalsContact CZ3-O 3.26Å; W262-G265 WeakPolarHBondContact CZ3-O 3.3Å; W262-R266 CarbonylContact C-O 3.52Å; W262-R266 VanDerWaalsContact CA-O 3.26Å; W262-R266 WeakPolarHBondContact CA-O 3.42Å; W262-R266 VanDerWaalsContact CE3-C 3.49Å; W262-A267 HydrophobicContact CD2-CB 4.19Å; W262-A267 HydrophobicContact CE3-CB 4Å; W262-A267 VanDerWaalsContact CE3-N 3.28Å; W262-A267 HydrophobicContact CH2-CB 3.9Å; W262-A267 HydrophobicContact CZ2-CB 4.08Å; W262-A267 HydrophobicContact CZ3-CB 3.86Å; W262-M421 HydrophobicContact CB-CB 4.24Å; W262-M421 PolarHBondContact N-O 3.41Å; W262-M421 PolarHBondContact O-N 3.39Å
263Y97.9Very high94.1Very high1 Ų150.5 Ų50.50%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-113.8108.3171.6-63.5-18.9000111G265 R266 M268 P307 I312 Q317 T321 L419 I420Y263-G265 VanDerWaalsContact C-N 3.32Å; Y263-G265 PolarHBondContact O-N 2.93Å; Y263-R266 PolarHBondContact N-O 3.36Å; Y263-R266 WeakPolarHBondContact O-CB 3.24Å; Y263-R266 PolarHBondContact O-N 3.4Å; Y263-M268 HydrophobicContact CD1-CG 4.18Å; Y263-M268 HydrophobicContact CD2-CB 4.4Å; Y263-M268 HydrophobicContact CD2-CE 3.77Å; Y263-M268 HydrophobicContact CD2-CG 3.36Å; Y263-M268 HydrophobicContact CD2-SD 3.68Å; Y263-M268 HydrophobicContact CE2-CE 4.11Å; Y263-M268 HydrophobicContact CE2-CG 3.9Å; Y263-M268 HydrophobicContact CE2-SD 4.48Å; Y263-M268 HydrophobicContact CG-CG 3.51Å; Y263-M268 HydrophobicContact CG-SD 4.11Å; Y263-P307 HydrophobicContact CE2-CB 4.49Å; Y263-P307 PolarHBondContact OH-O 2.78Å; Y263-I312 HydrophobicContact CD2-CD1 3.78Å; Y263-I312 HydrophobicContact CD2-CG1 4.41Å; Y263-I312 HydrophobicContact CG-CD1 4.44Å; Y263-Q317 PolarHBondContact O-NE2 3Å; Y263-T321 HydrophobicContact CD1-CG2 4.29Å; Y263-T321 HydrophobicContact CD2-CG2 3.96Å; Y263-T321 HydrophobicContact CE1-CG2 4.32Å; Y263-T321 HydrophobicContact CE2-CG2 3.98Å; Y263-T321 HydrophobicContact CG-CG2 4.14Å; Y263-L419 WeakPolarHBondContact CA-O 3.23Å; Y263-L419 WeakPolarHBondContact CD1-O 3.34Å; Y263-I420 HydrophobicContact CD1-CB 4.25Å; Y263-I420 HydrophobicContact CD1-CG1 3.82Å; Y263-I420 HydrophobicContact CD1-CG2 4.32Å; Y263-I420 HydrophobicContact CE1-CB 4.19Å; Y263-I420 HydrophobicContact CE1-CD1 4.3Å; Y263-I420 HydrophobicContact CE1-CG1 3.74Å; Y263-I420 HydrophobicContact CE1-CG2 3.87Å
264R95.1Very high95.1Very high118 Ų11847.1 Ų47.145%0.44526%0.262SS..THydrogen-bonded Turntrans48.251.7-178-159.3-177.7176.5111.1-2.5112.6R266 Q317 E416 K418 L419R264-R266 PolarHBondContact O-N 2.95Å; R264-Q317 HydrophobicContact CB-CG 4.47Å; R264-E416 CarbonylContact C-O 3.52Å; R264-E416 VanDerWaalsContact CA-O 3.3Å; R264-E416 WeakPolarHBondContact CA-O 3.5Å; R264-K418 WeakPolarHBondContact CA-O 3.35Å; R264-K418 PolarHBondContact N-O 3.48Å; R264-L419 PolarHBondContact N-O 3.38Å
265G91Very high95.7Very high29 Ų2946.7 Ų46.730%0.29926%0.259SS..THydrogen-bonded Turntrans78.2-0.8177.600000115.1W262 Y263 E416W262-G265 VanDerWaalsContact CE3-O 3.31Å; W262-G265 VanDerWaalsContact CZ3-O 3.26Å; W262-G265 WeakPolarHBondContact CZ3-O 3.3Å; Y263-G265 VanDerWaalsContact C-N 3.32Å; Y263-G265 PolarHBondContact O-N 2.93Å; G265-E416 PolarHBondContact N-O 3.36Å
266R95.3Very high95.9Very high108 Ų10849.1 Ų49.141%0.40828%0.276SS..EExtended strand (participates in β ladder)trans-95.5126.8170.9-176.6173.7174.4-175.5-8.3110.7W262 Y263 R264 M268 E311W262-R266 CarbonylContact C-O 3.52Å; W262-R266 VanDerWaalsContact CA-O 3.26Å; W262-R266 WeakPolarHBondContact CA-O 3.42Å; W262-R266 VanDerWaalsContact CE3-C 3.49Å; Y263-R266 PolarHBondContact N-O 3.36Å; Y263-R266 WeakPolarHBondContact O-CB 3.24Å; Y263-R266 PolarHBondContact O-N 3.4Å; R264-R266 PolarHBondContact O-N 2.95Å; R266-M268 HydrophobicContact CG-SD 4.26Å; R266-M268 PolarHBondContact O-N 3.18Å; R266-E311 IonicContact CZ-OE2 2.75Å; R266-E311 PolarHBondContact NH1-O 3.43Å; R266-E311 IonicContact NH2-OE2 2.77Å; R266-E311 PolarHBondContact NH2-OE2 2.75Å
267A96.3Very high95.9Very high57 Ų5751.4 Ų51.447%0.47129%0.285SS..EExtended strand (participates in β ladder)trans-67.2126.8171.900000109.7W262W262-A267 HydrophobicContact CD2-CB 4.19Å; W262-A267 HydrophobicContact CE3-CB 4Å; W262-A267 VanDerWaalsContact CE3-N 3.28Å; W262-A267 HydrophobicContact CH2-CB 3.9Å; W262-A267 HydrophobicContact CZ2-CB 4.08Å; W262-A267 HydrophobicContact CZ3-CB 3.86Å
268M96.1Very high95.9Very high24 Ų2451.2 Ų51.212%0.11828%0.284CS..EExtended strand (participates in β ladder)trans-105.2-17.5-177.9-60.6-59.7-54.200112.7F261 Y263 R266 P307 E311F261-M268 HydrophobicContact CB-CB 4.34Å; F261-M268 PolarHBondContact O-N 3.42Å; Y263-M268 HydrophobicContact CD1-CG 4.18Å; Y263-M268 HydrophobicContact CD2-CB 4.4Å; Y263-M268 HydrophobicContact CD2-CE 3.77Å; Y263-M268 HydrophobicContact CD2-CG 3.36Å; Y263-M268 HydrophobicContact CD2-SD 3.68Å; Y263-M268 HydrophobicContact CE2-CE 4.11Å; Y263-M268 HydrophobicContact CE2-CG 3.9Å; Y263-M268 HydrophobicContact CE2-SD 4.48Å; Y263-M268 HydrophobicContact CG-CG 3.51Å; Y263-M268 HydrophobicContact CG-SD 4.11Å; R266-M268 HydrophobicContact CG-SD 4.26Å; R266-M268 PolarHBondContact O-N 3.18Å; M268-P307 HydrophobicContact CB-CB 3.83Å; M268-P307 HydrophobicContact CB-CG 3.85Å; M268-E311 HydrophobicContact CE-CB 4.35Å
269G93.6Very high95.9Very high35 Ų3550.1 Ų50.136%0.36128%0.278SS..EExtended strand (participates in β ladder)trans160165.2179.200000111.7F261F261-G269 PolarHBondContact N-O 2.88Å
270S96.4Very high95.9Very high91 Ų9150.1 Ų50.164%0.63628%0.278SS*.EExtended strand (participates in β ladder)trans-146.2150.4172.657.60000110.4L259L259-S270 CarbonylContact O-C 3.54Å; L259-S270 WeakPolarHBondContact O-CA 3.27Å; L259-S270 WeakPolarHBondContact O-CB 3.4Å
271L97.1Very high95.9Very high64 Ų6446.3 Ų46.334%0.33526%0.261SS..EExtended strand (participates in β ladder)trans-153.3161.8175.567.296.4000110.7L259 F261 V273 V304L259-L271 HydrophobicContact CB-CG 4.42Å; L259-L271 HydrophobicContact CD1-CD1 4.05Å; L259-L271 PolarHBondContact N-O 2.78Å; L259-L271 PolarHBondContact O-N 3.04Å; F261-L271 HydrophobicContact CE2-CD2 4.17Å; L271-V273 HydrophobicContact CD1-CG2 3.59Å; L271-V304 HydrophobicContact CD1-CG1 4.38Å; L271-V304 HydrophobicContact CD1-CG2 4.32Å; L271-V304 HydrophobicContact CD2-CG1 3.78Å
272T97.1Very high95.9Very high67 Ų6747.2 Ų47.241%0.41127%0.265SS..EExtended strand (participates in β ladder)trans-106.6130.4174.4-50.60000109.5D256 L257 D258D256-T272 HydrophobicContact CB-CG2 3.87Å; L257-T272 CarbonylContact O-C 3.55Å; L257-T272 WeakPolarHBondContact O-CA 3.43Å; D258-T272 WeakPolarHBondContact OD1-CB 2.96Å; D258-T272 VanDerWaalsContact OD1-CG2 3.31Å; D258-T272 WeakPolarHBondContact OD1-CG2 3.33Å; D258-T272 PolarHBondContact OD1-OG1 3.29Å
273V95.5Very high95.9Very high0 Ų045.6 Ų45.60%026%0.259CS..EExtended strand (participates in β ladder)trans-100.9116.5172.7170.30000108D256 L257 L259 L271 N275 C279 Q302 V304D256-V273 CarbonylContact C-O 3.5Å; D256-V273 VanDerWaalsContact CA-O 3.24Å; D256-V273 WeakPolarHBondContact CA-O 3.25Å; L257-V273 HydrophobicContact CB-CB 4.36Å; L257-V273 PolarHBondContact N-O 2.91Å; L257-V273 PolarHBondContact O-N 3.45Å; L259-V273 HydrophobicContact CD1-CG2 3.6Å; L259-V273 HydrophobicContact CG-CG2 4.24Å; L271-V273 HydrophobicContact CD1-CG2 3.59Å; V273-N275 HydrophobicContact CG1-CB 4.25Å; V273-C279 HydrophobicContact CB-CB 4.48Å; V273-C279 HydrophobicContact CG1-CB 3.75Å; V273-C279 HydrophobicContact CG2-CB 3.98Å; V273-Q302 HydrophobicContact CG1-CB 4.19Å; V273-V304 HydrophobicContact CG2-CG2 3.76Å
274S93.1Very high95.6Very high64 Ų6446.3 Ų46.345%0.44827%0.267SS..  trans-102.31.6178.3-60.60000113.9T255 D256 P276T255-S274 PolarHBondContact OG1-O 3.48Å; D256-S274 WeakPolarHBondContact OD1-CA 3.49Å; D256-S274 WeakPolarHBondContact OD1-CB 3.46Å; D256-S274 PolarHBondContact OD1-OG 2.9Å; S274-P276 WeakPolarHBondContact O-CD 3.3Å
275N94.1Very high95.3Very high34 Ų3449.7 Ų49.718%0.18229%0.287CS..  trans-65.7123.8179.2-177.6-22.4000110.7V273 Q277 G278 S300 Q302V273-N275 HydrophobicContact CG1-CB 4.25Å; N275-Q277 PolarHBondContact O-N 2.91Å; N275-Q277 PolarHBondContact OD1-N 3.19Å; N275-G278 WeakPolarHBondContact CB-O 3.39Å; N275-G278 WeakPolarHBondContact O-CA 3.35Å; N275-G278 PolarHBondContact O-N 2.7Å; N275-S300 PolarHBondContact ND2-O 3.2Å; N275-Q302 HydrophobicContact CB-CB 3.87Å; N275-Q302 PolarHBondContact ND2-N 3.46Å; N275-Q302 VanDerWaalsContact ND2-N 3.14Å
276P92.1Very high95.1Very high83 Ų8352.7 Ų52.754%0.53930%0.296SS..THydrogen-bonded Turntrans-68-15.7-176.728.4-36.9000114.8T255 S274T255-P276 HydrophobicContact CG2-CB 4.01Å; T255-P276 WeakPolarHBondContact OG1-CA 3.39Å; S274-P276 WeakPolarHBondContact O-CD 3.3Å
277Q94.9Very high94.6Very high97 Ų9754.6 Ų54.645%0.45331%0.31SS..THydrogen-bonded Turntrans-88.3-11.7171.4-59-166.3-77.800112.4N275 S300 L301 E335 I336N275-Q277 PolarHBondContact O-N 2.91Å; N275-Q277 PolarHBondContact OD1-N 3.19Å; Q277-S300 PolarHBondContact OE1-OG 3.09Å; Q277-L301 HydrophobicContact CB-CD2 4.05Å; Q277-L301 VanDerWaalsContact O-CD2 3.25Å; Q277-L301 WeakPolarHBondContact O-CD2 2.97Å; Q277-E335 WeakPolarHBondContact O-CA 3.09Å; Q277-I336 PolarHBondContact O-N 2.85Å
278G96.9Very high94.2Very high0 Ų052.9 Ų52.90%029%0.294CS..EExtended strand (participates in β ladder)trans95.2-150.5-177.400000113.4N275 Q302 L334N275-G278 WeakPolarHBondContact CB-O 3.39Å; N275-G278 WeakPolarHBondContact O-CA 3.35Å; N275-G278 PolarHBondContact O-N 2.7Å; G278-Q302 PolarHBondContact O-N 3.17Å; G278-Q302 VanDerWaalsContact O-N 3.09Å; G278-L334 CarbonylContact C-O 3.57Å; G278-L334 VanDerWaalsContact CA-O 3.27Å; G278-L334 WeakPolarHBondContact CA-O 3.48Å
279C98.3Very high94Very high0 Ų054.1 Ų54.10%030%0.303CS..EExtended strand (participates in β ladder)trans-145.2167.5-170.963.70000113.8V273 Q302 V304 L334V273-C279 HydrophobicContact CB-CB 4.48Å; V273-C279 HydrophobicContact CG1-CB 3.75Å; V273-C279 HydrophobicContact CG2-CB 3.98Å; C279-Q302 CarbonylContact C-O 3.55Å; C279-Q302 WeakPolarHBondContact CA-O 3.11Å; C279-Q302 HydrophobicContact CB-CB 4.11Å; C279-Q302 WeakPolarHBondContact CB-O 3.38Å; C279-V304 HydrophobicContact CB-CG2 3.84Å; C279-L334 PolarHBondContact N-O 2.88Å; C279-L334 PolarHBondContact O-N 3.37Å
280R98.4Very high93.8Very high0 Ų056.8 Ų56.80%031%0.313CS..EExtended strand (participates in β ladder)trans-120119.4169.1-174.1179.474.599.51.3110.1Y282 F296 L301 Q302 V304 D329 R330 L332 I333R280-Y282 VanDerWaalsContact NH2-CD2 3.35Å; R280-Y282 VanDerWaalsContact NH2-CG 3.33Å; R280-F296 WeakPolarHBondContact CD-O 3.49Å; R280-F296 PolarHBondContact NE-O 2.81Å; R280-L301 HydrophobicContact CB-CD1 4.44Å; R280-Q302 PolarHBondContact N-O 2.98Å; R280-V304 PolarHBondContact O-N 2.95Å; R280-D329 PolarHBondContact NH1-O 3.35Å; R280-R330 PolarHBondContact NH1-O 2.93Å; R280-L332 CarbonylContact C-O 3.54Å; R280-L332 WeakPolarHBondContact CA-O 3.44Å; R280-I333 HydrophobicContact CB-CG1 4.3Å; R280-I333 HydrophobicContact CG-CG1 4.01Å
281L98.6Very high93.5Very high0 Ų059.9 Ų59.90%032%0.318CS..EExtended strand (participates in β ladder)trans-85118.6173.4-46.2-175.5000109.1L259 F261 V304 F306 G331 L332 L334 V422L259-L281 HydrophobicContact CD1-CD2 3.58Å; F261-L281 HydrophobicContact CZ-CD2 4.39Å; L281-V304 WeakPolarHBondContact CA-O 3.4Å; L281-V304 HydrophobicContact CD2-CB 3.84Å; L281-V304 HydrophobicContact CD2-CG1 3.86Å; L281-V304 HydrophobicContact CD2-CG2 4.46Å; L281-F306 HydrophobicContact CB-CD2 4.47Å; L281-F306 HydrophobicContact CB-CE2 3.65Å; L281-F306 HydrophobicContact CB-CZ 4.17Å; L281-G331 CarbonylContact O-C 3.48Å; L281-G331 WeakPolarHBondContact O-CA 3.45Å; L281-L332 HydrophobicContact CD1-CD2 4.4Å; L281-L332 PolarHBondContact N-O 2.68Å; L281-L332 PolarHBondContact O-N 2.8Å; L281-L334 HydrophobicContact CD1-CD1 4.27Å; L281-L334 HydrophobicContact CG-CD1 4.45Å; L281-V422 HydrophobicContact CD1-CG1 3.98Å
282Y98.2Very high93.2Very high22 Ų2260.4 Ų60.49%0.08632%0.319CS..EExtended strand (participates in β ladder)trans-149.3165.8-176.181.6-67.5000112.6R280 Q303 V304 L305 F306R280-Y282 VanDerWaalsContact NH2-CD2 3.35Å; R280-Y282 VanDerWaalsContact NH2-CG 3.33Å; Y282-Q303 HydrophobicContact CE1-CB 3.88Å; Y282-V304 WeakPolarHBondContact CD1-O 3Å; Y282-V304 PolarHBondContact N-O 2.77Å; Y282-L305 HydrophobicContact CD2-CD1 4.36Å; Y282-L305 HydrophobicContact CE1-CB 4.47Å; Y282-L305 HydrophobicContact CE1-CD1 4.07Å; Y282-L305 HydrophobicContact CE2-CD1 3.89Å; Y282-L305 CarbonylContact O-C 2.9Å; Y282-L305 WeakPolarHBondContact O-CA 3.29Å; Y282-F306 WeakPolarHBondContact O-CD2 3.06Å; Y282-F306 PolarHBondContact O-N 2.86Å
283Y97.5Very high92.9Very high64 Ų6459.7 Ų59.725%0.25131%0.314SS..  trans-138.3137170.2-166.9-94.3000108.9L305 F306 L325 M328 D329Y283-L305 HydrophobicContact CD2-CG 4.47Å; Y283-F306 HydrophobicContact CD2-CB 3.83Å; Y283-F306 WeakPolarHBondContact CD2-O 3.2Å; Y283-F306 HydrophobicContact CG-CB 4.49Å; Y283-L325 HydrophobicContact CD1-CB 3.59Å; Y283-L325 HydrophobicContact CD1-CG 4.48Å; Y283-L325 HydrophobicContact CD2-CB 4.44Å; Y283-L325 HydrophobicContact CD2-CD1 4.19Å; Y283-L325 HydrophobicContact CD2-CD2 4.19Å; Y283-L325 HydrophobicContact CE1-CB 3.98Å; Y283-L325 HydrophobicContact CE1-CD1 4.43Å; Y283-L325 HydrophobicContact CE2-CD1 4.07Å; Y283-L325 HydrophobicContact CG-CB 3.82Å; Y283-L325 HydrophobicContact CG-CD1 4.39Å; Y283-L325 HydrophobicContact CG-CD2 4.06Å; Y283-L325 HydrophobicContact CG-CG 4.31Å; Y283-M328 PolarHBondContact N-O 3.39Å; Y283-M328 CarbonylContact O-C 3.32Å; Y283-D329 VanDerWaalsContact O-CA 3.23Å; Y283-D329 WeakPolarHBondContact O-CA 3.15Å; Y283-D329 PolarHBondContact O-N 2.79Å
284G92.2Very high92.7Very high16 Ų1666.8 Ų66.817%0.16535%0.352CS..SBendtrans136.3-177.5-174.600000111.9
285H88.3Confident92.7Very high188 Ų18867.8 Ų67.887%0.8735%0.352SS*.SBendtrans-107-1.7-176.1-58-61.1000113.5
286L86.8Confident92.7Very high93 Ų9366.9 Ų66.949%0.48735%0.346SS..PPolyproline II helixtrans-86120.4-177.8-58.3178.6000110.2F296L286-F296 HydrophobicContact CB-CE1 4.12Å; L286-F296 HydrophobicContact CB-CZ 3.95Å; L286-F296 HydrophobicContact CD1-CE1 4.28Å; L286-F296 HydrophobicContact CD1-CZ 3.84Å
287E84.3Confident92.8Very high148 Ų14863.1 Ų63.169%0.69232%0.323SS*.PPolyproline II helixtrans-92144.8173.5-65.6-169.9165.300110.6
288P89.4Confident92.7Very high20 Ų2060.7 Ų60.713%0.1332%0.316CS..PPolyproline II helixtrans-69.6132.7176.829.5-34.1000110.6F296 V299 Q303P288-F296 HydrophobicContact CB-CB 3.73Å; P288-V299 HydrophobicContact CB-CG1 4.11Å; P288-V299 HydrophobicContact CG-CG1 4.5Å; P288-V299 WeakPolarHBondContact O-CG1 3.44Å; P288-Q303 HydrophobicContact CG-CG 4.26Å
289T90.6Very high92.6Very high50 Ų5064.1 Ų64.131%0.30734%0.336SS..  trans-109.1159168.178.80000110.8E291 Q292 V299T289-E291 WeakPolarHBondContact CB-OE2 3.44Å; T289-E291 PolarHBondContact O-N 2.81Å; T289-E291 VanDerWaalsContact O-N 3.12Å; T289-E291 PolarHBondContact OG1-OE2 2.87Å; T289-Q292 PolarHBondContact O-N 2.9Å; T289-Q292 WeakPolarHBondContact OG1-CG 3.31Å; T289-V299 VanDerWaalsContact C-CG1 3.46Å
290P90.8Very high92.5Very high91 Ų9166.4 Ų66.459%0.59135%0.352SS*.G310 helixtrans-56.7-27.3179-26.136.2000114.1Q292 V293 V299P290-Q292 VanDerWaalsContact C-N 3.33Å; P290-V293 WeakPolarHBondContact O-CG2 3.33Å; P290-V299 HydrophobicContact CG-CG1 4.37Å
291E90.4Very high92.4Very high157 Ų15766.9 Ų66.973%0.73436%0.355SS*.G310 helixtrans-80.9-15.5178.6-51.472.7-154.800112.7T289T289-E291 WeakPolarHBondContact CB-OE2 3.44Å; T289-E291 PolarHBondContact O-N 2.81Å; T289-E291 VanDerWaalsContact O-N 3.12Å; T289-E291 PolarHBondContact OG1-OE2 2.87Å
292Q90.5Very high92.4Very high75 Ų7570.1 Ų70.135%0.3537%0.37SS..G310 helixtrans-113.622.3-173.3-63.3-179.4-25.800112.9T289 P290 D294 L295 F296T289-Q292 PolarHBondContact O-N 2.9Å; T289-Q292 WeakPolarHBondContact OG1-CG 3.31Å; P290-Q292 VanDerWaalsContact C-N 3.33Å; Q292-D294 PolarHBondContact O-N 3.41Å; Q292-L295 HydrophobicContact CB-CD1 4.42Å; Q292-L295 HydrophobicContact CG-CD1 4.46Å; Q292-L295 WeakPolarHBondContact O-CB 3.43Å; Q292-L295 PolarHBondContact O-N 2.71Å; Q292-F296 HydrophobicContact CB-CD2 3.91Å; Q292-F296 HydrophobicContact CB-CE2 4.26Å; Q292-F296 PolarHBondContact O-N 3.04Å
293V90.8Very high92.3Very high52 Ų5271.9 Ų71.932%0.31538%0.379SS..Hα-helixtrans-58.5-34.8-179.1171.40000112.2P290 L295 G297P290-V293 WeakPolarHBondContact O-CG2 3.33Å; V293-L295 PolarHBondContact O-N 2.88Å; V293-G297 WeakPolarHBondContact O-CA 3.41Å; V293-G297 PolarHBondContact O-N 3.46Å
294D90.3Very high92.3Very high148 Ų14869 Ų6979%0.79137%0.368SS*.Hα-helixtrans-66.8-25.3176.7-66.1-25000112.9Q292 R330Q292-D294 PolarHBondContact O-N 3.41Å; D294-R330 PolarHBondContact O-NH2 2.88Å
295L92.8Very high92.6Very high85 Ų8572.4 Ų72.445%0.44538%0.382SS..Hα-helixtrans-87-50.6-179.6-61.2178.5000111.4Q292 V293 R330Q292-L295 HydrophobicContact CB-CD1 4.42Å; Q292-L295 HydrophobicContact CG-CD1 4.46Å; Q292-L295 WeakPolarHBondContact O-CB 3.43Å; Q292-L295 PolarHBondContact O-N 2.71Å; V293-L295 PolarHBondContact O-N 2.88Å; L295-R330 VanDerWaalsContact O-CG 3.3Å; L295-R330 WeakPolarHBondContact O-CG 3.42Å; L295-R330 PolarHBondContact O-NE 2.95Å
296F94.4Very high93.1Very high15 Ų1563.6 Ų63.67%0.06634%0.341CS..Hα-helixtrans-113-4.5-169.4-57.8-69.8000113.8R280 L286 P288 Q292 D329 R330R280-F296 WeakPolarHBondContact CD-O 3.49Å; R280-F296 PolarHBondContact NE-O 2.81Å; L286-F296 HydrophobicContact CB-CE1 4.12Å; L286-F296 HydrophobicContact CB-CZ 3.95Å; L286-F296 HydrophobicContact CD1-CE1 4.28Å; L286-F296 HydrophobicContact CD1-CZ 3.84Å; P288-F296 HydrophobicContact CB-CB 3.73Å; Q292-F296 HydrophobicContact CB-CD2 3.91Å; Q292-F296 HydrophobicContact CB-CE2 4.26Å; Q292-F296 PolarHBondContact O-N 3.04Å; F296-D329 HydrophobicContact CE1-CB 4.35Å; F296-R330 HydrophobicContact CD1-CG 4.32Å; F296-R330 HydrophobicContact CE1-CG 4.24Å
297G94.1Very high93.6Very high4 Ų460.5 Ų60.54%0.04133%0.327CS..  trans84.8-179.7-174.400000113.9V293 V299V293-G297 WeakPolarHBondContact O-CA 3.41Å; V293-G297 PolarHBondContact O-N 3.46Å; G297-V299 PolarHBondContact O-N 3.04Å
298P94.5Very high94.1Very high47 Ų4755.1 Ų55.131%0.30531%0.31SS..  trans-61.2134.8-177.7-2232.1000112.6S300 L301P298-S300 PolarHBondContact O-N 3.5Å; P298-L301 HydrophobicContact CB-CG 4.3Å; P298-L301 HydrophobicContact CG-CD1 4.44Å; P298-L301 PolarHBondContact O-N 2.79Å
299V94.7Very high94.4Very high71 Ų7154.4 Ų54.443%0.4331%0.306SS..THydrogen-bonded Turntrans-63.7-18.8175.9-61.90000113.3P288 T289 P290 G297 L301P288-V299 HydrophobicContact CB-CG1 4.11Å; P288-V299 HydrophobicContact CG-CG1 4.5Å; P288-V299 WeakPolarHBondContact O-CG1 3.44Å; T289-V299 VanDerWaalsContact C-CG1 3.46Å; P290-V299 HydrophobicContact CG-CG1 4.37Å; G297-V299 PolarHBondContact O-N 3.04Å; V299-L301 VanDerWaalsContact C-N 3.28Å; V299-L301 PolarHBondContact O-N 3.35Å
300S95.5Very high94.5Very high49 Ų4955.6 Ų55.634%0.34332%0.321SS..THydrogen-bonded Turntrans-79.3-10.4-178.367.40000113.6N275 Q277 P298N275-S300 PolarHBondContact ND2-O 3.2Å; Q277-S300 PolarHBondContact OE1-OG 3.09Å; P298-S300 PolarHBondContact O-N 3.5Å
301L96.8Very high94.5Very high9 Ų956.8 Ų56.85%0.04732%0.319CS..SBendtrans-72.3146.4172.5-64.4176.3000111Q277 R280 P298 V299 Q303 I333Q277-L301 HydrophobicContact CB-CD2 4.05Å; Q277-L301 VanDerWaalsContact O-CD2 3.25Å; Q277-L301 WeakPolarHBondContact O-CD2 2.97Å; R280-L301 HydrophobicContact CB-CD1 4.44Å; P298-L301 HydrophobicContact CB-CG 4.3Å; P298-L301 HydrophobicContact CG-CD1 4.44Å; P298-L301 PolarHBondContact O-N 2.79Å; V299-L301 VanDerWaalsContact C-N 3.28Å; V299-L301 PolarHBondContact O-N 3.35Å; L301-Q303 PolarHBondContact O-N 2.96Å; L301-Q303 PolarHBondContact O-NE2 3.49Å; L301-I333 HydrophobicContact CD1-CB 4.3Å; L301-I333 HydrophobicContact CD1-CD1 4.01Å; L301-I333 HydrophobicContact CD1-CG1 3.87Å; L301-I333 HydrophobicContact CD1-CG2 3.59Å
302Q97.1Very high94.7Very high69 Ų6949.8 Ų49.832%0.32229%0.286SS..EExtended strand (participates in β ladder)trans-68.4125.3171.1-175.3169.8-18.900110.1V273 N275 G278 C279 R280 V304V273-Q302 HydrophobicContact CG1-CB 4.19Å; N275-Q302 HydrophobicContact CB-CB 3.87Å; N275-Q302 PolarHBondContact ND2-N 3.46Å; N275-Q302 VanDerWaalsContact ND2-N 3.14Å; G278-Q302 PolarHBondContact O-N 3.17Å; G278-Q302 VanDerWaalsContact O-N 3.09Å; C279-Q302 CarbonylContact C-O 3.55Å; C279-Q302 WeakPolarHBondContact CA-O 3.11Å; C279-Q302 HydrophobicContact CB-CB 4.11Å; C279-Q302 WeakPolarHBondContact CB-O 3.38Å; R280-Q302 PolarHBondContact N-O 2.98Å; Q302-V304 HydrophobicContact CG-CG2 4.31Å; Q302-V304 PolarHBondContact O-N 3.13Å
303Q97.3Very high94.9Very high58 Ų5855 Ų5527%0.27131%0.31SS..EExtended strand (participates in β ladder)trans-84115.1-179.6-53.8-56.7-55.900109.3Y282 P288 L301Y282-Q303 HydrophobicContact CE1-CB 3.88Å; P288-Q303 HydrophobicContact CG-CG 4.26Å; L301-Q303 PolarHBondContact O-N 2.96Å; L301-Q303 PolarHBondContact O-NE2 3.49Å
304V97.9Very high95.1Very high5 Ų556.6 Ų56.63%0.0332%0.317CS..EExtended strand (participates in β ladder)trans-115.1110.4-176.61780000109.5L259 F261 L271 V273 C279 R280 L281 Y282 Q302L259-V304 HydrophobicContact CD1-CB 4.48Å; L259-V304 HydrophobicContact CD1-CG1 3.96Å; L259-V304 HydrophobicContact CD1-CG2 4.17Å; F261-V304 HydrophobicContact CE2-CG1 4.39Å; F261-V304 HydrophobicContact CZ-CG1 3.82Å; L271-V304 HydrophobicContact CD1-CG1 4.38Å; L271-V304 HydrophobicContact CD1-CG2 4.32Å; L271-V304 HydrophobicContact CD2-CG1 3.78Å; V273-V304 HydrophobicContact CG2-CG2 3.76Å; C279-V304 HydrophobicContact CB-CG2 3.84Å; R280-V304 PolarHBondContact O-N 2.95Å; L281-V304 WeakPolarHBondContact CA-O 3.4Å; L281-V304 HydrophobicContact CD2-CB 3.84Å; L281-V304 HydrophobicContact CD2-CG1 3.86Å; L281-V304 HydrophobicContact CD2-CG2 4.46Å; Y282-V304 WeakPolarHBondContact CD1-O 3Å; Y282-V304 PolarHBondContact N-O 2.77Å; Q302-V304 HydrophobicContact CG-CG2 4.31Å; Q302-V304 PolarHBondContact O-N 3.13Å
305L97.8Very high95.4Very high87 Ų8755.8 Ų55.846%0.45531%0.309SS..EExtended strand (participates in β ladder)trans-78.4135.5179.2-16275.9000110.6Y282 Y283Y282-L305 HydrophobicContact CD2-CD1 4.36Å; Y282-L305 HydrophobicContact CE1-CB 4.47Å; Y282-L305 HydrophobicContact CE1-CD1 4.07Å; Y282-L305 HydrophobicContact CE2-CD1 3.89Å; Y282-L305 CarbonylContact O-C 2.9Å; Y282-L305 WeakPolarHBondContact O-CA 3.29Å; Y283-L305 HydrophobicContact CD2-CG 4.47Å
306F98.3Very high95.6Very high3 Ų355.1 Ų55.11%0.01330%0.302CS..PPolyproline II helixtrans-63.3144167.1-84.2-96.8000110.7F261 L281 Y282 Y283 L325 M328 F405 I420 V422F261-F306 AromaticContact CD1-CD1 3.69Å; F261-F306 HydrophobicContact CD1-CD1 3.69Å; F261-F306 AromaticContact CD1-CE1 3.87Å; F261-F306 HydrophobicContact CD1-CE1 3.87Å; F261-F306 HydrophobicContact CD1-CG 4.43Å; F261-F306 AromaticContact CE1-CD1 3.82Å; F261-F306 HydrophobicContact CE1-CD1 3.82Å; F261-F306 AromaticContact CE1-CE1 3.89Å; F261-F306 HydrophobicContact CE1-CE1 3.89Å; F261-F306 HydrophobicContact CE1-CG 4.21Å; F261-F306 HydrophobicContact CE1-CZ 4.33Å; L281-F306 HydrophobicContact CB-CD2 4.47Å; L281-F306 HydrophobicContact CB-CE2 3.65Å; L281-F306 HydrophobicContact CB-CZ 4.17Å; Y282-F306 WeakPolarHBondContact O-CD2 3.06Å; Y282-F306 PolarHBondContact O-N 2.86Å; Y283-F306 HydrophobicContact CD2-CB 3.83Å; Y283-F306 WeakPolarHBondContact CD2-O 3.2Å; Y283-F306 HydrophobicContact CG-CB 4.49Å; F306-L325 HydrophobicContact CB-CD2 3.71Å; F306-L325 HydrophobicContact CD1-CD2 4.1Å; F306-L325 HydrophobicContact CG-CD2 3.88Å; F306-M328 HydrophobicContact CD2-CE 4.35Å; F306-M328 HydrophobicContact CE2-CE 3.49Å; F306-M328 VanDerWaalsContact CE2-CE 3.49Å; F306-M328 HydrophobicContact CZ-CE 3.88Å; F306-F405 HydrophobicContact CE1-CD2 4.46Å; F306-F405 HydrophobicContact CE1-CE2 4.33Å; F306-F405 HydrophobicContact CZ-CD1 4.3Å; F306-F405 HydrophobicContact CZ-CD2 4.32Å; F306-F405 AromaticContact CZ-CE1 3.93Å; F306-F405 HydrophobicContact CZ-CE1 3.93Å; F306-F405 AromaticContact CZ-CE2 3.93Å; F306-F405 HydrophobicContact CZ-CE2 3.93Å; F306-F405 HydrophobicContact CZ-CG 4.5Å; F306-F405 AromaticContact CZ-CZ 3.73Å; F306-F405 HydrophobicContact CZ-CZ 3.73Å; F306-I420 HydrophobicContact CD1-CG2 4.32Å; F306-I420 HydrophobicContact CE1-CG2 3.77Å; F306-V422 HydrophobicContact CE1-CG2 3.55Å; F306-V422 HydrophobicContact CZ-CG2 3.94Å
307P97.4Very high95.7Very high28 Ų2855.7 Ų55.718%0.18231%0.305CS..PPolyproline II helixtrans-56.9143171.6-25.535.4000112.2F261 Y263 M268F261-P307 HydrophobicContact CB-CG 3.9Å; F261-P307 HydrophobicContact CD2-CG 4.39Å; F261-P307 HydrophobicContact CG-CG 4.03Å; Y263-P307 HydrophobicContact CE2-CB 4.49Å; Y263-P307 PolarHBondContact OH-O 2.78Å; M268-P307 HydrophobicContact CB-CB 3.83Å; M268-P307 HydrophobicContact CB-CG 3.85Å
308G95.3Very high95.8Very high34 Ų3459.1 Ų59.135%0.35132%0.317SS..PPolyproline II helixtrans-68168.5173.900000112.8
309T95.8Very high96Very high5 Ų562 Ų623%0.03133%0.325CS..SBendtrans-94.85.8-178.662.30000114.3E311 I312 R318 T321 D322 L325T309-E311 PolarHBondContact O-N 3.09Å; T309-E311 VanDerWaalsContact O-N 3.13Å; T309-I312 HydrophobicContact CG2-CD1 3.91Å; T309-I312 WeakPolarHBondContact O-CB 3.31Å; T309-I312 PolarHBondContact O-N 3.32Å; T309-R318 PolarHBondContact O-NE 3.43Å; T309-R318 PolarHBondContact OG1-NE 2.86Å; T309-T321 HydrophobicContact CG2-CG2 3.56Å; T309-D322 VanDerWaalsContact CB-OD1 3.29Å; T309-D322 WeakPolarHBondContact CB-OD1 3.24Å; T309-D322 WeakPolarHBondContact CG2-OD1 3.41Å; T309-D322 VanDerWaalsContact OG1-CG 3.23Å; T309-D322 PolarHBondContact OG1-OD1 2.91Å; T309-D322 PolarHBondContact OG1-OD2 2.93Å; T309-L325 HydrophobicContact CG2-CD1 3.71Å
310A92.7Very high96.1Very high76 Ų7663.4 Ų63.463%0.62832%0.323SS*.THydrogen-bonded Turntrans-56.6-33.8-173.500000113.4I312A310-I312 VanDerWaalsContact C-N 3.34Å
311E91.1Very high96.3Very high115 Ų11561.1 Ų61.154%0.53731%0.307SS..THydrogen-bonded Turntrans-82.1-7.8-179-58.2-173.5-168.400114.5R266 M268 T309 Q313R266-E311 IonicContact CZ-OE2 2.75Å; R266-E311 PolarHBondContact NH1-O 3.43Å; R266-E311 IonicContact NH2-OE2 2.77Å; R266-E311 PolarHBondContact NH2-OE2 2.75Å; M268-E311 HydrophobicContact CE-CB 4.35Å; T309-E311 PolarHBondContact O-N 3.09Å; T309-E311 VanDerWaalsContact O-N 3.13Å; E311-Q313 PolarHBondContact O-N 2.91Å
312I94.3Very high96.3Very high10 Ų1063.2 Ų63.25%0.05132%0.318CS..  trans-76.9111.9179.9-55.6178.6000109Y263 T309 A310 Q317 R318 T321Y263-I312 HydrophobicContact CD2-CD1 3.78Å; Y263-I312 HydrophobicContact CD2-CG1 4.41Å; Y263-I312 HydrophobicContact CG-CD1 4.44Å; T309-I312 HydrophobicContact CG2-CD1 3.91Å; T309-I312 WeakPolarHBondContact O-CB 3.31Å; T309-I312 PolarHBondContact O-N 3.32Å; A310-I312 VanDerWaalsContact C-N 3.34Å; I312-Q317 HydrophobicContact CG2-CB 4.09Å; I312-Q317 HydrophobicContact CG2-CG 3.98Å; I312-R318 HydrophobicContact CB-CB 4.08Å; I312-R318 HydrophobicContact CG2-CB 3.93Å; I312-T321 HydrophobicContact CD1-CG2 4.08Å
313Q94.2Very high96.3Very high184 Ų18462.3 Ų62.386%0.8632%0.322SS*.  trans-73-34.9-179.8-64.4180-0.900112.8E311 Q315E311-Q313 PolarHBondContact O-N 2.91Å; Q313-Q315 PolarHBondContact O-N 2.91Å
314N95.9Very high96.4Very high86 Ų8661 Ų6146%0.4632%0.317SS..  trans-76107.6-179.4-175.6-46.4000110.2K316 Q317 R318N314-K316 VanDerWaalsContact C-N 3.26Å; N314-K316 PolarHBondContact O-N 2.82Å; N314-K316 WeakPolarHBondContact OD1-CB 3.34Å; N314-K316 PolarHBondContact OD1-N 2.81Å; N314-Q317 HydrophobicContact CB-CB 3.92Å; N314-Q317 PolarHBondContact O-N 3.21Å; N314-Q317 PolarHBondContact OD1-N 2.67Å; N314-R318 WeakPolarHBondContact O-CB 3.34Å; N314-R318 PolarHBondContact O-N 2.91Å
315Q96.5Very high96.4Very high132 Ų13260.8 Ų60.862%0.61732%0.316SS*.Hα-helixtrans-58.9-35.3-176.1-16860.929.300113.5Q313 F319Q313-Q315 PolarHBondContact O-N 2.91Å; Q315-F319 WeakPolarHBondContact O-CB 3.41Å; Q315-F319 PolarHBondContact O-N 2.59Å
316K95.3Very high96.3Very high70 Ų7062.5 Ų62.530%0.30433%0.326SS..Hα-helixtrans-70.8-44.3178.4-178.8177.2-179.5176.10111.4I151 N314 R318 F319 Y320I151-K316 HydrophobicContact CD1-CD 3.77Å; I151-K316 HydrophobicContact CG1-CD 4.38Å; I151-K316 HydrophobicContact CG2-CD 3.93Å; N314-K316 VanDerWaalsContact C-N 3.26Å; N314-K316 PolarHBondContact O-N 2.82Å; N314-K316 WeakPolarHBondContact OD1-CB 3.34Å; N314-K316 PolarHBondContact OD1-N 2.81Å; K316-R318 VanDerWaalsContact C-N 3.34Å; K316-F319 PolarHBondContact O-N 2.85Å; K316-Y320 HydrophobicContact CD-CE2 4.22Å; K316-Y320 HydrophobicContact CG-CD2 4.06Å; K316-Y320 HydrophobicContact CG-CE2 3.61Å; K316-Y320 WeakPolarHBondContact O-CD2 3.46Å; K316-Y320 PolarHBondContact O-N 3.29Å
317Q96.5Very high96.3Very high28 Ų2864.4 Ų64.413%0.13134%0.337CS..Hα-helixtrans-58.8-50.9173.4177.9-170.8-12.700109.9Y263 R264 I312 N314 F319 Y320 T321 L419Y263-Q317 PolarHBondContact O-NE2 3Å; R264-Q317 HydrophobicContact CB-CG 4.47Å; I312-Q317 HydrophobicContact CG2-CB 4.09Å; I312-Q317 HydrophobicContact CG2-CG 3.98Å; N314-Q317 HydrophobicContact CB-CB 3.92Å; N314-Q317 PolarHBondContact O-N 3.21Å; N314-Q317 PolarHBondContact OD1-N 2.67Å; Q317-F319 VanDerWaalsContact C-N 3.32Å; Q317-F319 PolarHBondContact O-N 3.07Å; Q317-Y320 PolarHBondContact O-N 3.34Å; Q317-Y320 VanDerWaalsContact O-N 3.11Å; Q317-T321 PolarHBondContact O-N 3.29Å; Q317-T321 PolarHBondContact O-OG1 2.93Å; Q317-T321 VanDerWaalsContact O-OG1 3.13Å; Q317-L419 HydrophobicContact CG-CD2 4.01Å
318R97.6Very high96.3Very high76 Ų7663.1 Ų63.129%0.28733%0.329SS..Hα-helixtrans-52.6-49.7179.4177.6164.4-176.8174.7-0.3111.8T309 I312 N314 K316 Y320 T321 D322T309-R318 PolarHBondContact O-NE 3.43Å; T309-R318 PolarHBondContact OG1-NE 2.86Å; I312-R318 HydrophobicContact CB-CB 4.08Å; I312-R318 HydrophobicContact CG2-CB 3.93Å; N314-R318 WeakPolarHBondContact O-CB 3.34Å; N314-R318 PolarHBondContact O-N 2.91Å; K316-R318 VanDerWaalsContact C-N 3.34Å; R318-Y320 PolarHBondContact O-N 2.95Å; R318-T321 PolarHBondContact O-N 2.87Å; R318-D322 WeakPolarHBondContact CG-OD2 3.39Å; R318-D322 IonicContact NE-OD2 2.7Å; R318-D322 WeakPolarHBondContact O-CB 3.19Å; R318-D322 PolarHBondContact O-N 3.43Å
319F97.9Very high96.3Very high106 Ų10663.8 Ų63.847%0.46532%0.324SS..Hα-helixtrans-55-45.9177.1175.6-94.6000113.2M155 Q315 K316 Q317 A323M155-F319 HydrophobicContact CE-CE2 4.39Å; M155-F319 HydrophobicContact CE-CZ 4.08Å; Q315-F319 WeakPolarHBondContact O-CB 3.41Å; Q315-F319 PolarHBondContact O-N 2.59Å; K316-F319 PolarHBondContact O-N 2.85Å; Q317-F319 VanDerWaalsContact C-N 3.32Å; Q317-F319 PolarHBondContact O-N 3.07Å; F319-A323 WeakPolarHBondContact O-CB 3.1Å; F319-A323 PolarHBondContact O-N 2.88Å
320Y97.8Very high96.4Very high102 Ų10265.7 Ų65.740%0.433%0.331SS..Hα-helixtrans-72-37.9178.3-68.9-58.7000112.9K316 Q317 R318 A323 L324K316-Y320 HydrophobicContact CD-CE2 4.22Å; K316-Y320 HydrophobicContact CG-CD2 4.06Å; K316-Y320 HydrophobicContact CG-CE2 3.61Å; K316-Y320 WeakPolarHBondContact O-CD2 3.46Å; K316-Y320 PolarHBondContact O-N 3.29Å; Q317-Y320 PolarHBondContact O-N 3.34Å; Q317-Y320 VanDerWaalsContact O-N 3.11Å; R318-Y320 PolarHBondContact O-N 2.95Å; Y320-A323 PolarHBondContact O-N 2.86Å; Y320-L324 WeakPolarHBondContact O-CG 3.26Å; Y320-L324 PolarHBondContact O-N 3.5Å; Y320-L324 VanDerWaalsContact O-N 3.08Å
321T97.9Very high96.6Very high0 Ų062.1 Ų62.10%030%0.301CS..Hα-helixtrans-62.6-45.5175.2-58.70000110.3Y263 T309 I312 Q317 R318 A323 L324 L325 I420Y263-T321 HydrophobicContact CD1-CG2 4.29Å; Y263-T321 HydrophobicContact CD2-CG2 3.96Å; Y263-T321 HydrophobicContact CE1-CG2 4.32Å; Y263-T321 HydrophobicContact CE2-CG2 3.98Å; Y263-T321 HydrophobicContact CG-CG2 4.14Å; T309-T321 HydrophobicContact CG2-CG2 3.56Å; I312-T321 HydrophobicContact CD1-CG2 4.08Å; Q317-T321 PolarHBondContact O-N 3.29Å; Q317-T321 PolarHBondContact O-OG1 2.93Å; Q317-T321 VanDerWaalsContact O-OG1 3.13Å; R318-T321 PolarHBondContact O-N 2.87Å; T321-A323 PolarHBondContact O-N 3.47Å; T321-L324 PolarHBondContact O-N 2.84Å; T321-L325 HydrophobicContact CG2-CD1 4.12Å; T321-L325 HydrophobicContact CG2-CG 4.46Å; T321-L325 WeakPolarHBondContact O-CG 3.06Å; T321-L325 PolarHBondContact O-N 3.05Å; T321-I420 HydrophobicContact CG2-CD1 4Å; T321-I420 HydrophobicContact CG2-CG1 4Å
322D97.9Very high97Very high53 Ų5356.6 Ų56.628%0.28328%0.276SS..Hα-helixtrans-58.5-46.5174.8-76.9-34000111.3T309 R318 L324 L325 D326T309-D322 VanDerWaalsContact CB-OD1 3.29Å; T309-D322 WeakPolarHBondContact CB-OD1 3.24Å; T309-D322 WeakPolarHBondContact CG2-OD1 3.41Å; T309-D322 VanDerWaalsContact OG1-CG 3.23Å; T309-D322 PolarHBondContact OG1-OD1 2.91Å; T309-D322 PolarHBondContact OG1-OD2 2.93Å; R318-D322 WeakPolarHBondContact CG-OD2 3.39Å; R318-D322 IonicContact NE-OD2 2.7Å; R318-D322 WeakPolarHBondContact O-CB 3.19Å; R318-D322 PolarHBondContact O-N 3.43Å; D322-L324 VanDerWaalsContact C-N 3.26Å; D322-L324 PolarHBondContact O-N 2.86Å; D322-L325 PolarHBondContact O-N 3.22Å; D322-L325 VanDerWaalsContact O-N 3.12Å; D322-D326 WeakPolarHBondContact O-CB 3.3Å; D322-D326 PolarHBondContact O-N 2.88Å
323A97.8Very high97.2Very high50 Ų5056.5 Ų56.541%0.41328%0.275SS..Hα-helixtrans-61.7-31.3178.300000113.5F319 Y320 T321F319-A323 WeakPolarHBondContact O-CB 3.1Å; F319-A323 PolarHBondContact O-N 2.88Å; Y320-A323 PolarHBondContact O-N 2.86Å; T321-A323 PolarHBondContact O-N 3.47Å
324L98.1Very high97.4Very high31 Ų3147.8 Ų47.816%0.16223%0.234CC..Hα-helixtrans-75.7-39.1173.7-69.9177000111.9Y320 T321 D322 D326 V327 M328 L419 I420Y320-L324 WeakPolarHBondContact O-CG 3.26Å; Y320-L324 PolarHBondContact O-N 3.5Å; Y320-L324 VanDerWaalsContact O-N 3.08Å; T321-L324 PolarHBondContact O-N 2.84Å; D322-L324 VanDerWaalsContact C-N 3.26Å; D322-L324 PolarHBondContact O-N 2.86Å; L324-D326 VanDerWaalsContact C-N 3.34Å; L324-V327 WeakPolarHBondContact O-CG2 3.19Å; L324-V327 PolarHBondContact O-N 3.05Å; L324-M328 VanDerWaalsContact O-CG 3.26Å; L324-M328 WeakPolarHBondContact O-CG 3.42Å; L324-L419 HydrophobicContact CD1-CB 4.24Å; L324-L419 HydrophobicContact CD1-CD1 3.98Å; L324-I420 HydrophobicContact CB-CD1 3.84Å; L324-I420 HydrophobicContact CD1-CD1 4.16Å; L324-I420 HydrophobicContact CD1-CG1 4.49Å
325L97.9Very high97.5Very high0 Ų046.4 Ų46.40%023%0.225CC..Hα-helixtrans-68.7-32.3177.7-69.8176.7000112.4Y283 F306 T309 T321 D322 V327 M328 I420Y283-L325 HydrophobicContact CD1-CB 3.59Å; Y283-L325 HydrophobicContact CD1-CG 4.48Å; Y283-L325 HydrophobicContact CD2-CB 4.44Å; Y283-L325 HydrophobicContact CD2-CD1 4.19Å; Y283-L325 HydrophobicContact CD2-CD2 4.19Å; Y283-L325 HydrophobicContact CE1-CB 3.98Å; Y283-L325 HydrophobicContact CE1-CD1 4.43Å; Y283-L325 HydrophobicContact CE2-CD1 4.07Å; Y283-L325 HydrophobicContact CG-CB 3.82Å; Y283-L325 HydrophobicContact CG-CD1 4.39Å; Y283-L325 HydrophobicContact CG-CD2 4.06Å; Y283-L325 HydrophobicContact CG-CG 4.31Å; F306-L325 HydrophobicContact CB-CD2 3.71Å; F306-L325 HydrophobicContact CD1-CD2 4.1Å; F306-L325 HydrophobicContact CG-CD2 3.88Å; T309-L325 HydrophobicContact CG2-CD1 3.71Å; T321-L325 HydrophobicContact CG2-CD1 4.12Å; T321-L325 HydrophobicContact CG2-CG 4.46Å; T321-L325 WeakPolarHBondContact O-CG 3.06Å; T321-L325 PolarHBondContact O-N 3.05Å; D322-L325 PolarHBondContact O-N 3.22Å; D322-L325 VanDerWaalsContact O-N 3.12Å; L325-V327 PolarHBondContact O-N 2.78Å; L325-V327 VanDerWaalsContact O-N 3.11Å; L325-M328 WeakPolarHBondContact O-CB 3.36Å; L325-M328 PolarHBondContact O-N 2.83Å; L325-M328 VanDerWaalsContact O-N 3.12Å; L325-I420 HydrophobicContact CD2-CD1 3.99Å; L325-I420 HydrophobicContact CG-CD1 4.11Å
326D97.3Very high97.5Very high124 Ų12441.1 Ų41.166%0.66320%0.201SC*.THydrogen-bonded Turntrans-63-16.4177.5-163.756.9000113.5D322 L324D322-D326 WeakPolarHBondContact O-CB 3.3Å; D322-D326 PolarHBondContact O-N 2.88Å; L324-D326 VanDerWaalsContact C-N 3.34Å
327V97.4Very high97.3Very high42 Ų4241.3 Ų41.326%0.25520%0.203SC..THydrogen-bonded Turntrans-111.221.8178.7-63.60000113.3L324 L325 Q348 C349L324-V327 WeakPolarHBondContact O-CG2 3.19Å; L324-V327 PolarHBondContact O-N 3.05Å; L325-V327 PolarHBondContact O-N 2.78Å; L325-V327 VanDerWaalsContact O-N 3.11Å; V327-Q348 HydrophobicContact CB-CB 4.18Å; V327-Q348 PolarHBondContact O-N 3.24Å; V327-C349 HydrophobicContact CG2-CB 3.95Å
328M97.4Very high96.8Very high1 Ų147.6 Ų47.61%0.00523%0.232CC..  trans-109.710.3-176.1-72.1-68.7-67.800114.8Y283 F306 L324 L325 R330 G331 C347 C349 F405Y283-M328 PolarHBondContact N-O 3.39Å; Y283-M328 CarbonylContact O-C 3.32Å; F306-M328 HydrophobicContact CD2-CE 4.35Å; F306-M328 HydrophobicContact CE2-CE 3.49Å; F306-M328 VanDerWaalsContact CE2-CE 3.49Å; F306-M328 HydrophobicContact CZ-CE 3.88Å; L324-M328 VanDerWaalsContact O-CG 3.26Å; L324-M328 WeakPolarHBondContact O-CG 3.42Å; L325-M328 WeakPolarHBondContact O-CB 3.36Å; L325-M328 PolarHBondContact O-N 2.83Å; L325-M328 VanDerWaalsContact O-N 3.12Å; M328-R330 VanDerWaalsContact C-N 3.29Å; M328-R330 PolarHBondContact O-N 3.27Å; M328-G331 WeakPolarHBondContact O-CA 3.28Å; M328-G331 PolarHBondContact O-N 2.95Å; M328-C347 HydrophobicContact CE-CB 4.41Å; M328-C347 HydrophobicContact SD-CB 3.52Å; M328-C347 VanDerWaalsContact SD-CB 3.52Å; M328-C347 PolarHBondContact SD-SG 3.02Å; M328-C349 HydrophobicContact CG-CB 4.16Å; M328-C349 HydrophobicContact SD-CB 3.41Å; M328-C349 WeakPolarHBondContact SD-CB 3.46Å; M328-F405 HydrophobicContact CE-CD1 3.47Å; M328-F405 VanDerWaalsContact CE-CD1 3.47Å; M328-F405 HydrophobicContact CE-CE1 3.42Å; M328-F405 VanDerWaalsContact CE-CE1 3.42Å; M328-F405 HydrophobicContact CE-CZ 4.48Å; M328-F405 HydrophobicContact SD-CD1 3.89Å; M328-F405 HydrophobicContact SD-CE1 4.35Å
329D95.6Very high96.1Very high49 Ų4947 Ų4726%0.26223%0.233SC..SBendtrans-54.9-42.4-178.4-59.6-95.2000113.3R280 Y283 F296R280-D329 PolarHBondContact NH1-O 3.35Å; Y283-D329 VanDerWaalsContact O-CA 3.23Å; Y283-D329 WeakPolarHBondContact O-CA 3.15Å; Y283-D329 PolarHBondContact O-N 2.79Å; F296-D329 HydrophobicContact CE1-CB 4.35Å
330R97.1Very high95.9Very high45 Ų4542.9 Ų42.917%0.1722%0.216CC..SBendtrans-74-31.6177.2-64.4-178.965.2-164.6-2.8112.4R280 D294 L295 F296 M328 L346 E370R280-R330 PolarHBondContact NH1-O 2.93Å; D294-R330 PolarHBondContact O-NH2 2.88Å; L295-R330 VanDerWaalsContact O-CG 3.3Å; L295-R330 WeakPolarHBondContact O-CG 3.42Å; L295-R330 PolarHBondContact O-NE 2.95Å; F296-R330 HydrophobicContact CD1-CG 4.32Å; F296-R330 HydrophobicContact CE1-CG 4.24Å; M328-R330 VanDerWaalsContact C-N 3.29Å; M328-R330 PolarHBondContact O-N 3.27Å; R330-L346 HydrophobicContact CB-CB 3.76Å; R330-L346 WeakPolarHBondContact CB-O 3.44Å; R330-L346 WeakPolarHBondContact CD-O 3.38Å; R330-L346 PolarHBondContact NE-O 2.96Å; R330-L346 PolarHBondContact NH1-O 2.82Å; R330-E370 IonicContact CZ-OE1 3.47Å; R330-E370 IonicContact NH1-OE1 3.19Å; R330-E370 PolarHBondContact NH1-OE1 3.11Å; R330-E370 IonicContact NH2-OE1 2.78Å; R330-E370 PolarHBondContact NH2-OE1 3.02Å
331G97.8Very high95.9Very high0 Ų038.3 Ų38.30%020%0.198CC..  trans75.8-169.1172.200000117.1L281 M328 L346 C347L281-G331 CarbonylContact O-C 3.48Å; L281-G331 WeakPolarHBondContact O-CA 3.45Å; M328-G331 WeakPolarHBondContact O-CA 3.28Å; M328-G331 PolarHBondContact O-N 2.95Å; G331-L346 CarbonylContact O-C 3.6Å; G331-L346 WeakPolarHBondContact O-CA 3.42Å; G331-L346 PolarHBondContact O-N 2.68Å; G331-C347 PolarHBondContact O-N 2.83Å
332L98.8Very high95.9Very high0 Ų040 Ų400%021%0.205CC..EExtended strand (participates in β ladder)trans-118.6124.5173.1176.271.2000108.3R280 L281 L334 A343 R345 V351 M367 F403 F405R280-L332 CarbonylContact C-O 3.54Å; R280-L332 WeakPolarHBondContact CA-O 3.44Å; L281-L332 HydrophobicContact CD1-CD2 4.4Å; L281-L332 PolarHBondContact N-O 2.68Å; L281-L332 PolarHBondContact O-N 2.8Å; L332-L334 HydrophobicContact CD2-CD2 4.45Å; L332-A343 HydrophobicContact CD1-CB 4.46Å; L332-R345 HydrophobicContact CD1-CB 4.08Å; L332-V351 HydrophobicContact CD2-CG1 4.23Å; L332-M367 HydrophobicContact CD1-CE 3.93Å; L332-M367 HydrophobicContact CD1-SD 4.01Å; L332-F403 HydrophobicContact CD2-CB 4.46Å; L332-F403 HydrophobicContact CD2-CD1 3.76Å; L332-F403 HydrophobicContact CD2-CD2 4.31Å; L332-F403 HydrophobicContact CD2-CE1 4.03Å; L332-F403 HydrophobicContact CD2-CG 3.92Å; L332-F403 HydrophobicContact CD2-CZ 4.4Å; L332-F405 HydrophobicContact CB-CE1 4.19Å; L332-F405 HydrophobicContact CB-CZ 4.46Å; L332-F405 HydrophobicContact CD2-CE1 4.1Å; L332-F405 HydrophobicContact CD2-CZ 3.71Å
333I98.7Very high95.9Very high8 Ų837.5 Ų37.54%0.04119%0.191CC..EExtended strand (participates in β ladder)trans-89.2135.8175.2-67.1170.1000109.1R280 L301 E335 A343 I344 L346R280-I333 HydrophobicContact CB-CG1 4.3Å; R280-I333 HydrophobicContact CG-CG1 4.01Å; L301-I333 HydrophobicContact CD1-CB 4.3Å; L301-I333 HydrophobicContact CD1-CD1 4.01Å; L301-I333 HydrophobicContact CD1-CG1 3.87Å; L301-I333 HydrophobicContact CD1-CG2 3.59Å; I333-E335 HydrophobicContact CG2-CB 4.17Å; I333-A343 CarbonylContact O-C 3.48Å; I333-A343 VanDerWaalsContact O-CA 3.24Å; I333-A343 WeakPolarHBondContact O-CA 3.36Å; I333-I344 HydrophobicContact CB-CB 4.19Å; I333-I344 HydrophobicContact CG2-CD1 4.33Å; I333-I344 PolarHBondContact N-O 2.76Å; I333-I344 PolarHBondContact O-N 3.37Å; I333-L346 HydrophobicContact CD1-CD1 3.56Å; I333-L346 HydrophobicContact CD1-CG 4.21Å; I333-L346 HydrophobicContact CG1-CD1 4.28Å
334L98.7Very high96Very high0 Ų036.4 Ų36.40%018%0.178CC..EExtended strand (participates in β ladder)trans-113.9107.1164.2-58.4176.6000106.8L257 L259 G278 C279 L281 L332 Y342 A343 F403 V424L257-L334 HydrophobicContact CD1-CB 4.49Å; L259-L334 HydrophobicContact CD2-CD1 4.14Å; G278-L334 CarbonylContact C-O 3.57Å; G278-L334 VanDerWaalsContact CA-O 3.27Å; G278-L334 WeakPolarHBondContact CA-O 3.48Å; C279-L334 PolarHBondContact N-O 2.88Å; C279-L334 PolarHBondContact O-N 3.37Å; L281-L334 HydrophobicContact CD1-CD1 4.27Å; L281-L334 HydrophobicContact CG-CD1 4.45Å; L332-L334 HydrophobicContact CD2-CD2 4.45Å; L334-Y342 CarbonylContact C-O 3.42Å; L334-Y342 WeakPolarHBondContact CA-O 3.48Å; L334-A343 HydrophobicContact CD2-CB 3.95Å; L334-F403 HydrophobicContact CD2-CE2 3.79Å; L334-F403 HydrophobicContact CD2-CZ 3.74Å; L334-V424 HydrophobicContact CD1-CG1 4.13Å; L334-V424 HydrophobicContact CD1-CG2 3.72Å
335E97.7Very high96Very high57 Ų5736.2 Ų36.227%0.26618%0.175SC..EExtended strand (participates in β ladder)trans-104135-178.6-178.5-176.6-123.400109.7Q277 I333 I341 Y342 R372Q277-E335 WeakPolarHBondContact O-CA 3.09Å; I333-E335 HydrophobicContact CG2-CB 4.17Å; E335-I341 WeakPolarHBondContact O-CA 3.47Å; E335-Y342 PolarHBondContact N-O 2.83Å; E335-Y342 PolarHBondContact O-N 2.76Å; E335-R372 IonicContact OE2-CZ 3.71Å; E335-R372 IonicContact OE2-NE 3.87Å; E335-R372 PolarHBondContact OE2-NE 2.78Å; E335-R372 IonicContact OE2-NH2 2.84Å; E335-R372 PolarHBondContact OE2-NH2 3.26Å
336I95.8Very high96Very high22 Ų2236.8 Ų36.811%0.11318%0.178CC..EExtended strand (participates in β ladder)trans-100.4121.9174.4-58.4172000108.1T255 L257 Q277 D340T255-I336 HydrophobicContact CG2-CD1 4.5Å; T255-I336 HydrophobicContact CG2-CG2 4.36Å; T255-I336 WeakPolarHBondContact O-CD1 3.36Å; L257-I336 HydrophobicContact CD1-CD1 4.06Å; L257-I336 HydrophobicContact CD1-CG1 4.34Å; L257-I336 HydrophobicContact CD2-CD1 4.33Å; L257-I336 HydrophobicContact CG-CD1 4.08Å; Q277-I336 PolarHBondContact O-N 2.85Å; I336-D340 WeakPolarHBondContact CA-O 3.47Å
337Q92.5Very high96Very high74 Ų7430.9 Ų30.935%0.34615%0.146SC..EExtended strand (participates in β ladder)trans-134.8122174.6-176.5-179.740.300109Q339 D340 Y342 R372Q337-Q339 PolarHBondContact O-N 3.22Å; Q337-Q339 VanDerWaalsContact O-N 3.11Å; Q337-D340 PolarHBondContact N-O 3.35Å; Q337-D340 WeakPolarHBondContact O-CB 3.34Å; Q337-D340 PolarHBondContact O-N 3.08Å; Q337-Y342 HydrophobicContact CB-CD2 4.14Å; Q337-Y342 HydrophobicContact CB-CE2 3.98Å; Q337-R372 VanDerWaalsContact OE1-CZ 3.22Å
338Q85.5Confident96Very high159 Ų15935.2 Ų35.274%0.74316%0.164SC*.THydrogen-bonded Turntrans5236.2179.1-62.114617.100112.1D340Q338-D340 PolarHBondContact O-N 2.68Å
339Q82.2Confident96Very high65 Ų6535.5 Ų35.530%0.30417%0.166SC..THydrogen-bonded Turntrans68.9-0.4-178.2-41.8176.5-74.200116L252 Q337 L378L252-Q339 VanDerWaalsContact C-NE2 3.29Å; L252-Q339 PolarHBondContact O-NE2 3.13Å; Q337-Q339 PolarHBondContact O-N 3.22Å; Q337-Q339 VanDerWaalsContact O-N 3.11Å; Q339-L378 HydrophobicContact CB-CB 4.13Å; Q339-L378 HydrophobicContact CB-CD2 3.75Å; Q339-L378 VanDerWaalsContact CD-CD2 3.46Å; Q339-L378 HydrophobicContact CG-CD2 4.26Å
340D94Very high96.2Very high19 Ų1939.4 Ų39.410%0.10218%0.181CC..EExtended strand (participates in β ladder)trans-83.5148.6165.3-75.41.5000109.2I336 Q337 Q338 Y342 R374 S377 L378I336-D340 WeakPolarHBondContact CA-O 3.47Å; Q337-D340 PolarHBondContact N-O 3.35Å; Q337-D340 WeakPolarHBondContact O-CB 3.34Å; Q337-D340 PolarHBondContact O-N 3.08Å; Q338-D340 PolarHBondContact O-N 2.68Å; D340-Y342 HydrophobicContact CB-CD2 4.42Å; D340-Y342 HydrophobicContact CB-CE2 3.7Å; D340-R374 HydrophobicContact CB-CG 4.46Å; D340-R374 WeakPolarHBondContact OD2-CD 3.35Å; D340-R374 IonicContact OD2-CZ 2.91Å; D340-R374 IonicContact OD2-NE 2.98Å; D340-R374 IonicContact OD2-NH1 3.82Å; D340-R374 PolarHBondContact OD2-NH1 2.87Å; D340-S377 WeakPolarHBondContact OD1-CA 3.14Å; D340-S377 WeakPolarHBondContact OD1-CB 3.35Å; D340-S377 PolarHBondContact OD1-OG 2.88Å; D340-S377 PolarHBondContact OD2-OG 3.45Å; D340-L378 PolarHBondContact OD1-N 2.92Å; D340-L378 VanDerWaalsContact OD1-N 3.11Å
341I97.8Very high96.2Very high5 Ų537.3 Ų37.33%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-106.8127.4177.8-52.5169.6000108.6L257 E335 V375 F376 P426L257-I341 HydrophobicContact CD2-CD1 3.48Å; L257-I341 VanDerWaalsContact CD2-CD1 3.48Å; L257-I341 HydrophobicContact CD2-CG1 4.31Å; E335-I341 WeakPolarHBondContact O-CA 3.47Å; I341-V375 HydrophobicContact CB-CG2 4.09Å; I341-V375 HydrophobicContact CG2-CG2 3.84Å; I341-V375 WeakPolarHBondContact O-CG2 3.37Å; I341-V375 PolarHBondContact O-N 3.1Å; I341-F376 HydrophobicContact CB-CB 4.05Å; I341-F376 HydrophobicContact CD1-CB 4.03Å; I341-F376 HydrophobicContact CD1-CD1 3.99Å; I341-F376 HydrophobicContact CD1-CG 4.2Å; I341-F376 HydrophobicContact CG1-CB 4.21Å; I341-F376 HydrophobicContact CG1-CD1 4.08Å; I341-F376 PolarHBondContact N-O 3.47Å; I341-F376 PolarHBondContact O-N 2.91Å; I341-P426 HydrophobicContact CD1-CB 4.04Å; I341-P426 HydrophobicContact CD1-CG 3.65Å
342Y98.4Very high96.2Very high37 Ų3737.7 Ų37.715%0.14518%0.175CC..EExtended strand (participates in β ladder)trans-113.5139.3176.8-66.2-94.4000110.2L334 E335 Q337 D340 R372 I373 R374L334-Y342 CarbonylContact C-O 3.42Å; L334-Y342 WeakPolarHBondContact CA-O 3.48Å; E335-Y342 PolarHBondContact N-O 2.83Å; E335-Y342 PolarHBondContact O-N 2.76Å; Q337-Y342 HydrophobicContact CB-CD2 4.14Å; Q337-Y342 HydrophobicContact CB-CE2 3.98Å; D340-Y342 HydrophobicContact CB-CD2 4.42Å; D340-Y342 HydrophobicContact CB-CE2 3.7Å; Y342-R372 HydrophobicContact CD1-CG 3.86Å; Y342-R372 HydrophobicContact CG-CG 4.25Å; Y342-R372 VanDerWaalsContact CG-CZ 3.41Å; Y342-I373 CarbonylContact C-O 3.58Å; Y342-I373 VanDerWaalsContact CA-O 3.25Å; Y342-I373 WeakPolarHBondContact CA-O 3.5Å; Y342-R374 HydrophobicContact CD1-CB 3.86Å; Y342-R374 HydrophobicContact CD1-CG 4.38Å; Y342-R374 HydrophobicContact CE1-CB 3.59Å; Y342-R374 HydrophobicContact CE1-CG 4Å
343A98.6Very high96.2Very high0 Ų038.6 Ų38.60%018%0.178CC..EExtended strand (participates in β ladder)trans-111.4135.2174.900000110.3L332 I333 L334 M367 I373 V375 F403L332-A343 HydrophobicContact CD1-CB 4.46Å; I333-A343 CarbonylContact O-C 3.48Å; I333-A343 VanDerWaalsContact O-CA 3.24Å; I333-A343 WeakPolarHBondContact O-CA 3.36Å; L334-A343 HydrophobicContact CD2-CB 3.95Å; A343-M367 HydrophobicContact CB-CE 3.43Å; A343-M367 VanDerWaalsContact CB-CE 3.43Å; A343-M367 HydrophobicContact CB-SD 4.39Å; A343-I373 PolarHBondContact N-O 3.08Å; A343-I373 PolarHBondContact O-N 2.89Å; A343-V375 HydrophobicContact CB-CG1 3.64Å; A343-V375 HydrophobicContact CB-CG2 4.29Å; A343-F403 HydrophobicContact CB-CE1 3.95Å; A343-F403 HydrophobicContact CB-CZ 3.89Å
344I98.6Very high96Very high27 Ų2738.2 Ų38.214%0.13818%0.176CC..EExtended strand (participates in β ladder)trans-132113.8178.8-53.3158000108.4I333 L346 R372I333-I344 HydrophobicContact CB-CB 4.19Å; I333-I344 HydrophobicContact CG2-CD1 4.33Å; I333-I344 PolarHBondContact N-O 2.76Å; I333-I344 PolarHBondContact O-N 3.37Å; I344-L346 HydrophobicContact CG2-CD2 4.08Å; I344-R372 HydrophobicContact CD1-CB 4.48Å; I344-R372 HydrophobicContact CD1-CG 4.16Å; I344-R372 HydrophobicContact CG1-CB 3.99Å; I344-R372 HydrophobicContact CG1-CG 3.9Å
345R98.5Very high95.8Very high26 Ų2638.8 Ų38.810%0.09818%0.182CC..EExtended strand (participates in β ladder)trans-85.5117.5-178.1177.3-170.3165.3-139.2-11.5110.8L332 Q348 C349 V351 M367 R369 E370L332-R345 HydrophobicContact CD1-CB 4.08Å; R345-Q348 PolarHBondContact NH2-O 2.79Å; R345-C349 VanDerWaalsContact CZ-O 3.23Å; R345-C349 PolarHBondContact NE-O 2.89Å; R345-C349 PolarHBondContact NH2-O 3.42Å; R345-V351 HydrophobicContact CG-CB 4.45Å; R345-V351 HydrophobicContact CG-CG2 3.99Å; R345-M367 HydrophobicContact CB-CB 4.29Å; R345-M367 HydrophobicContact CB-CE 4.38Å; R345-M367 WeakPolarHBondContact CD-O 3.43Å; R345-M367 PolarHBondContact NH1-O 3.41Å; R345-R369 WeakPolarHBondContact O-CA 3.38Å; R345-R369 WeakPolarHBondContact O-CG 3.45Å; R345-E370 PolarHBondContact O-N 3.39Å
346L98.1Very high95.6Very high12 Ų1238 Ų386%0.06318%0.181CC..  trans-108.7-24.2175.1-57.7-175.3000113.4R330 G331 I333 I344 R369 E370R330-L346 HydrophobicContact CB-CB 3.76Å; R330-L346 WeakPolarHBondContact CB-O 3.44Å; R330-L346 WeakPolarHBondContact CD-O 3.38Å; R330-L346 PolarHBondContact NE-O 2.96Å; R330-L346 PolarHBondContact NH1-O 2.82Å; G331-L346 CarbonylContact O-C 3.6Å; G331-L346 WeakPolarHBondContact O-CA 3.42Å; G331-L346 PolarHBondContact O-N 2.68Å; I333-L346 HydrophobicContact CD1-CD1 3.56Å; I333-L346 HydrophobicContact CD1-CG 4.21Å; I333-L346 HydrophobicContact CG1-CD1 4.28Å; I344-L346 HydrophobicContact CG2-CD2 4.08Å; L346-R369 VanDerWaalsContact O-CZ 3.28Å; L346-R369 PolarHBondContact O-NE 3.46Å; L346-R369 PolarHBondContact O-NH2 2.63Å; L346-E370 HydrophobicContact CD2-CG 3.79Å
347C97.7Very high94.9Very high0 Ų040.7 Ų40.70%022%0.215CC..SBendtrans-64.6159.9-179.460.40000114.2M328 G331 C349 R369M328-C347 HydrophobicContact CE-CB 4.41Å; M328-C347 HydrophobicContact SD-CB 3.52Å; M328-C347 VanDerWaalsContact SD-CB 3.52Å; M328-C347 PolarHBondContact SD-SG 3.02Å; G331-C347 PolarHBondContact O-N 2.83Å; C347-C349 HydrophobicContact CB-CB 4.46Å; C347-C349 PolarHBondContact SG-O 3.41Å; C347-R369 PolarHBondContact O-NE 2.91Å
348Q97.3Very high94.5Very high134 Ų13440 Ų4063%0.62621%0.213SC*.SBendtrans-76.6-32.1172.8-47.3-175.725.400110.9V327 R345 K350V327-Q348 HydrophobicContact CB-CB 4.18Å; V327-Q348 PolarHBondContact O-N 3.24Å; R345-Q348 PolarHBondContact NH2-O 2.79Å; Q348-K350 PolarHBondContact O-N 2.89Å
349C97.7Very high94.1Very high6 Ų636.8 Ų36.84%0.04121%0.206CC..SBendtrans-49.6132170.9-172.30000110.4V327 M328 R345 C347 G406V327-C349 HydrophobicContact CG2-CB 3.95Å; M328-C349 HydrophobicContact CG-CB 4.16Å; M328-C349 HydrophobicContact SD-CB 3.41Å; M328-C349 WeakPolarHBondContact SD-CB 3.46Å; R345-C349 VanDerWaalsContact CZ-O 3.23Å; R345-C349 PolarHBondContact NE-O 2.89Å; R345-C349 PolarHBondContact NH2-O 3.42Å; C347-C349 HydrophobicContact CB-CB 4.46Å; C347-C349 PolarHBondContact SG-O 3.41Å; C349-G406 PolarHBondContact SG-N 2.87Å
350K98.2Very high93.6Very high132 Ų13239.8 Ų39.857%0.57422%0.22SC*.  trans-69.4139170.3-70.8-174.1-179.8-178.20109.1Q348 F352 G406Q348-K350 PolarHBondContact O-N 2.89Å; K350-F352 HydrophobicContact CB-CE2 3.96Å; K350-G406 PolarHBondContact O-N 2.8Å
351V98.6Very high92.9Very high0 Ų045.5 Ų45.50%025%0.25CC..EExtended strand (participates in β ladder)trans-120.5132.4176.6-173.10000107.4L332 R345 M367 F403 C404 F405L332-V351 HydrophobicContact CD2-CG1 4.23Å; R345-V351 HydrophobicContact CG-CB 4.45Å; R345-V351 HydrophobicContact CG-CG2 3.99Å; V351-M367 HydrophobicContact CB-SD 4.17Å; V351-M367 HydrophobicContact CG1-SD 3.83Å; V351-M367 WeakPolarHBondContact O-CB 3.37Å; V351-M367 PolarHBondContact O-N 3.04Å; V351-F403 HydrophobicContact CG1-CB 4.2Å; V351-F403 HydrophobicContact CG1-CD1 3.87Å; V351-F403 HydrophobicContact CG1-CG 4.48Å; V351-C404 WeakPolarHBondContact CA-O 3.12Å; V351-F405 HydrophobicContact CG1-CD1 4.33Å; V351-F405 HydrophobicContact CG1-CE1 4.04Å; V351-F405 HydrophobicContact CG1-CZ 4.23Å; V351-F405 HydrophobicContact CG2-CD1 3.63Å; V351-F405 HydrophobicContact CG2-CE1 3.66Å
352F98.1Very high92Very high9 Ų946.1 Ų46.14%0.03926%0.257CS..EExtended strand (participates in β ladder)trans-118.2153.3174.3-68.2-101.1000108.6K350 P364 N365 P366 F403 C404 E407 D408 W409K350-F352 HydrophobicContact CB-CE2 3.96Å; F352-P364 HydrophobicContact CD1-CB 3.94Å; F352-P364 HydrophobicContact CE1-CB 3.73Å; F352-N365 VanDerWaalsContact CA-O 3.3Å; F352-N365 WeakPolarHBondContact CA-O 3.33Å; F352-P366 HydrophobicContact CD1-CB 3.83Å; F352-P366 HydrophobicContact CE1-CB 3.56Å; F352-P366 HydrophobicContact CE1-CG 4.13Å; F352-P366 HydrophobicContact CZ-CB 4.08Å; F352-F403 CarbonylContact O-C 3.6Å; F352-F403 WeakPolarHBondContact O-CA 3.38Å; F352-C404 HydrophobicContact CB-CB 4.31Å; F352-C404 PolarHBondContact N-O 3.24Å; F352-C404 PolarHBondContact O-N 3.33Å; F352-E407 WeakPolarHBondContact CD2-O 3.46Å; F352-E407 WeakPolarHBondContact CE2-O 3.05Å; F352-D408 HydrophobicContact CE1-CB 4.43Å; F352-D408 HydrophobicContact CZ-CB 4.43Å; F352-D408 WeakPolarHBondContact CZ-OD1 3.43Å; F352-W409 HydrophobicContact CB-CB 3.72Å; F352-W409 WeakPolarHBondContact CB-O 3.43Å; F352-W409 WeakPolarHBondContact CD1-O 3.43Å
353W97.1Very high91.6Very high18 Ų1849.6 Ų49.67%0.06828%0.284CS..EExtended strand (participates in β ladder)trans-147.3153.1-175.375.2-71000114.2I358 N365 M367 I373 V375 V401 F402 F403W353-I358 HydrophobicContact CH2-CG1 3.98Å; W353-I358 HydrophobicContact CZ2-CG1 4.46Å; W353-I358 HydrophobicContact CZ3-CG1 4.22Å; W353-N365 VanDerWaalsContact CE2-ND2 3.28Å; W353-N365 PolarHBondContact N-O 3.19Å; W353-N365 VanDerWaalsContact N-O 3.08Å; W353-N365 PolarHBondContact NE1-ND2 3.05Å; W353-N365 WeakPolarHBondContact O-CB 3.3Å; W353-N365 PolarHBondContact O-ND2 3.33Å; W353-M367 VanDerWaalsContact CD1-CG 3.43Å; W353-M367 HydrophobicContact CG-CG 4.24Å; W353-M367 HydrophobicContact CG-SD 4.48Å; W353-I373 HydrophobicContact CZ2-CG2 3.76Å; W353-V375 HydrophobicContact CD2-CG1 3.97Å; W353-V375 HydrophobicContact CE3-CB 3.96Å; W353-V375 HydrophobicContact CE3-CG1 3.69Å; W353-V375 HydrophobicContact CH2-CB 4.28Å; W353-V375 HydrophobicContact CH2-CG1 4.04Å; W353-V375 HydrophobicContact CZ2-CG1 4.3Å; W353-V375 HydrophobicContact CZ3-CB 3.72Å; W353-V375 HydrophobicContact CZ3-CG1 3.74Å; W353-V401 HydrophobicContact CE3-CG1 4.19Å; W353-F402 CarbonylContact C-O 3.57Å; W353-F402 WeakPolarHBondContact CA-O 3.48Å; W353-F402 WeakPolarHBondContact CB-O 3.16Å; W353-F403 HydrophobicContact CB-CD1 3.59Å; W353-F403 HydrophobicContact CB-CE1 3.72Å; W353-F403 HydrophobicContact CB-CG 4.48Å; W353-F403 HydrophobicContact CG-CE1 4.33Å
354S95.8Very high91.4Very high1 Ų152.1 Ų52.11%0.00730%0.301CS..EExtended strand (participates in β ladder)trans-134.9155.3166.361.60000109V401 F402 W409S354-V401 WeakPolarHBondContact O-CA 3.48Å; S354-F402 PolarHBondContact N-O 2.92Å; S354-F402 PolarHBondContact O-N 3.09Å; S354-W409 PolarHBondContact OG-NE1 2.83Å
355G94.1Very high91.3Very high12 Ų1252.8 Ų52.812%0.12431%0.305CS..  trans-175.1-167.2-177.200000110.9G357 I358 D400G355-G357 PolarHBondContact O-N 3.49Å; G355-I358 PolarHBondContact O-N 2.87Å; G355-D400 WeakPolarHBondContact CA-O 3.15Å
356P92.4Very high91.2Very high39 Ų3955 Ų5525%0.25332%0.323SS..THydrogen-bonded Turntrans-54.1129.6-179.7-25.936.5000111.8I358 F376 P398P356-I358 VanDerWaalsContact C-N 3.3Å; P356-I358 PolarHBondContact O-N 2.97Å; P356-F376 HydrophobicContact CG-CD2 4.06Å; P356-P398 HydrophobicContact CB-CG 4.5Å; P356-P398 WeakPolarHBondContact CB-O 3.39Å; P356-P398 VanDerWaalsContact CG-O 3.22Å; P356-P398 WeakPolarHBondContact CG-O 3.29Å
357G82.1Confident91.2Very high79 Ų7954.6 Ų54.681%0.81432%0.32SS*.THydrogen-bonded Turntrans81.7-4.8-177.900000115.8G355G355-G357 PolarHBondContact O-N 3.49Å
358I83.8Confident91.2Very high60 Ų6059.8 Ų59.831%0.30834%0.344SS..SBendtrans-106.3118.5175.1-56.7-62.3000109.9W353 G355 P356 E360W353-I358 HydrophobicContact CH2-CG1 3.98Å; W353-I358 HydrophobicContact CZ2-CG1 4.46Å; W353-I358 HydrophobicContact CZ3-CG1 4.22Å; G355-I358 PolarHBondContact O-N 2.87Å; P356-I358 VanDerWaalsContact C-N 3.3Å; P356-I358 PolarHBondContact O-N 2.97Å; I358-E360 PolarHBondContact O-N 2.82Å
359P76.8Confident91.2Very high91 Ų9157.9 Ų57.959%0.59133%0.332SS*.  trans-62.2130.8178.5-21.832.1000112.7L361 G362P359-L361 PolarHBondContact O-N 3.09Å; P359-G362 PolarHBondContact O-N 3.28Å; P359-G362 VanDerWaalsContact O-N 3.09Å
360E72.3Confident91.1Very high128 Ų12863.3 Ų63.360%0.59836%0.356SS*.THydrogen-bonded Turntrans-64.2-22.4175.6-68.5-166.2161.100113.5I358 G362 P410I358-E360 PolarHBondContact O-N 2.82Å; E360-G362 VanDerWaalsContact C-N 3.33Å; E360-P410 WeakPolarHBondContact O-CB 3.32Å
361L79.1Confident91.1Very high140 Ų14063.4 Ų63.473%0.73335%0.353SS*.THydrogen-bonded Turntrans-95.313.3177.6-64.7171.3000112.9P359P359-L361 PolarHBondContact O-N 3.09Å
362G79.6Confident91Very high18 Ų1867.8 Ų67.819%0.18637%0.37CS..SBendtrans-72.9174.3179.700000114.5P359 E360P359-G362 PolarHBondContact O-N 3.28Å; P359-G362 VanDerWaalsContact O-N 3.09Å; E360-G362 VanDerWaalsContact C-N 3.33Å
363P90.2Very high91Very high109 Ų10969 Ų6971%0.70838%0.376SS*.SBendtrans-65.6163.2167.431.5-35.4000110.8N365 P410P363-N365 PolarHBondContact O-N 3.26Å; P363-P410 CarbonylContact C-O 3.54Å
364P94.1Very high91Very high54 Ų5473.3 Ų73.335%0.35139%0.392SS..  trans-54.7135.1175.7-25.533.8000111.9F352 P366 D408 W409 P410F352-P364 HydrophobicContact CD1-CB 3.94Å; F352-P364 HydrophobicContact CE1-CB 3.73Å; P364-P366 VanDerWaalsContact C-CD 3.48Å; P364-P366 WeakPolarHBondContact O-CD 3.35Å; P364-D408 HydrophobicContact CB-CB 4.06Å; P364-D408 HydrophobicContact CG-CB 3.92Å; P364-W409 CarbonylContact C-O 3.6Å; P364-W409 WeakPolarHBondContact CA-O 3.23Å; P364-P410 WeakPolarHBondContact CA-O 3.18Å; P364-P410 WeakPolarHBondContact CD-O 3.3Å; P364-P410 WeakPolarHBondContact CG-O 3.5Å; P364-P410 VanDerWaalsContact N-O 3.16Å
365N95.8Very high91.1Very high41 Ų4173.5 Ų73.522%0.21939%0.394CS..  trans-115.579.3-175.5-176.928000110.5F352 W353 P363 W409F352-N365 VanDerWaalsContact CA-O 3.3Å; F352-N365 WeakPolarHBondContact CA-O 3.33Å; W353-N365 VanDerWaalsContact CE2-ND2 3.28Å; W353-N365 PolarHBondContact N-O 3.19Å; W353-N365 VanDerWaalsContact N-O 3.08Å; W353-N365 PolarHBondContact NE1-ND2 3.05Å; W353-N365 WeakPolarHBondContact O-CB 3.3Å; W353-N365 PolarHBondContact O-ND2 3.33Å; P363-N365 PolarHBondContact O-N 3.26Å; N365-W409 PolarHBondContact N-O 3.42Å
366P97.3Very high91.2Very high73 Ų7373.2 Ų73.247%0.47439%0.389SS..BIsolated β-bridgetrans-73.8143.7-17829.2-34.1000112F352 P364F352-P366 HydrophobicContact CD1-CB 3.83Å; F352-P366 HydrophobicContact CE1-CB 3.56Å; F352-P366 HydrophobicContact CE1-CG 4.13Å; F352-P366 HydrophobicContact CZ-CB 4.08Å; P364-P366 VanDerWaalsContact C-CD 3.48Å; P364-P366 WeakPolarHBondContact O-CD 3.35Å
367M97.5Very high91.3Very high2 Ų271.8 Ų71.81%0.0138%0.38CS..PPolyproline II helixtrans-85.3124.6168.8-62.8-176.57000111.1L332 A343 R345 V351 W353 I373 F403L332-M367 HydrophobicContact CD1-CE 3.93Å; L332-M367 HydrophobicContact CD1-SD 4.01Å; A343-M367 HydrophobicContact CB-CE 3.43Å; A343-M367 VanDerWaalsContact CB-CE 3.43Å; A343-M367 HydrophobicContact CB-SD 4.39Å; R345-M367 HydrophobicContact CB-CB 4.29Å; R345-M367 HydrophobicContact CB-CE 4.38Å; R345-M367 WeakPolarHBondContact CD-O 3.43Å; R345-M367 PolarHBondContact NH1-O 3.41Å; V351-M367 HydrophobicContact CB-SD 4.17Å; V351-M367 HydrophobicContact CG1-SD 3.83Å; V351-M367 WeakPolarHBondContact O-CB 3.37Å; V351-M367 PolarHBondContact O-N 3.04Å; W353-M367 VanDerWaalsContact CD1-CG 3.43Å; W353-M367 HydrophobicContact CG-CG 4.24Å; W353-M367 HydrophobicContact CG-SD 4.48Å; M367-I373 HydrophobicContact CB-CD1 4.36Å; M367-I373 HydrophobicContact CE-CD1 4.28Å; M367-I373 HydrophobicContact CG-CD1 4.29Å; M367-F403 HydrophobicContact SD-CD1 4.02Å; M367-F403 HydrophobicContact SD-CE1 3.78Å
368E97Very high91.8Very high109 Ų10968.2 Ų68.251%0.50934%0.342SS..PPolyproline II helixtrans-62.5141.8165.8-70.1172.2-155.500110R371E368-R371 HydrophobicContact CB-CB 3.81Å; E368-R371 VanDerWaalsContact CD-NH1 3.3Å; E368-R371 IonicContact OE1-NH1 3.96Å; E368-R371 PolarHBondContact OE1-NH1 2.97Å; E368-R371 VanDerWaalsContact OE1-NH1 3.13Å; E368-R371 WeakPolarHBondContact OE2-CD 3.49Å; E368-R371 IonicContact OE2-CZ 3.19Å; E368-R371 IonicContact OE2-NE 3.18Å; E368-R371 IonicContact OE2-NH1 2.67Å; E368-R371 PolarHBondContact OE2-NH1 3.1Å
369R97.3Very high92.1Very high95 Ų9568.7 Ų68.736%0.35835%0.345SS..BIsolated β-bridgetrans-72142179.3-162.1-179.2-169.4164.53.6109.3R345 L346 C347 R371R345-R369 WeakPolarHBondContact O-CA 3.38Å; R345-R369 WeakPolarHBondContact O-CG 3.45Å; L346-R369 VanDerWaalsContact O-CZ 3.28Å; L346-R369 PolarHBondContact O-NE 3.46Å; L346-R369 PolarHBondContact O-NH2 2.63Å; C347-R369 PolarHBondContact O-NE 2.91Å; R369-R371 PolarHBondContact O-N 3.05Å
370E96.3Very high92.8Very high120 Ų12068 Ų6856%0.56134%0.337SS*.THydrogen-bonded Turntrans59.78.7178.6-69158.7-170.100114.5R330 R345 L346R330-E370 IonicContact CZ-OE1 3.47Å; R330-E370 IonicContact NH1-OE1 3.19Å; R330-E370 PolarHBondContact NH1-OE1 3.11Å; R330-E370 IonicContact NH2-OE1 2.78Å; R330-E370 PolarHBondContact NH2-OE1 3.02Å; R345-E370 PolarHBondContact O-N 3.39Å; L346-E370 HydrophobicContact CD2-CG 3.79Å
371R97.6Very high93.9Very high133 Ų13362.2 Ų62.250%0.50231%0.31SS..  trans-92.9129.7172.7-176.1169.1172.6166.3-2.7110.3E368 R369 I373E368-R371 HydrophobicContact CB-CB 3.81Å; E368-R371 VanDerWaalsContact CD-NH1 3.3Å; E368-R371 IonicContact OE1-NH1 3.96Å; E368-R371 PolarHBondContact OE1-NH1 2.97Å; E368-R371 VanDerWaalsContact OE1-NH1 3.13Å; E368-R371 WeakPolarHBondContact OE2-CD 3.49Å; E368-R371 IonicContact OE2-CZ 3.19Å; E368-R371 IonicContact OE2-NE 3.18Å; E368-R371 IonicContact OE2-NH1 2.67Å; E368-R371 PolarHBondContact OE2-NH1 3.1Å; R369-R371 PolarHBondContact O-N 3.05Å; R371-I373 HydrophobicContact CG-CG1 4.16Å
372R97.5Very high94.4Very high92 Ų9256.1 Ų56.135%0.34728%0.277SS..EExtended strand (participates in β ladder)trans-80.2124.3172.8-168.9174.5-171-111.31.3110.2E335 Q337 Y342 I344E335-R372 IonicContact OE2-CZ 3.71Å; E335-R372 IonicContact OE2-NE 3.87Å; E335-R372 PolarHBondContact OE2-NE 2.78Å; E335-R372 IonicContact OE2-NH2 2.84Å; E335-R372 PolarHBondContact OE2-NH2 3.26Å; Q337-R372 VanDerWaalsContact OE1-CZ 3.22Å; Y342-R372 HydrophobicContact CD1-CG 3.86Å; Y342-R372 HydrophobicContact CG-CG 4.25Å; Y342-R372 VanDerWaalsContact CG-CZ 3.41Å; I344-R372 HydrophobicContact CD1-CB 4.48Å; I344-R372 HydrophobicContact CD1-CG 4.16Å; I344-R372 HydrophobicContact CG1-CB 3.99Å; I344-R372 HydrophobicContact CG1-CG 3.9Å
373I97Very high94.9Very high34 Ų3459.8 Ų59.817%0.17429%0.29CS..EExtended strand (participates in β ladder)trans-128131.2-178.2-58.1173.2000108.5Y342 A343 W353 M367 R371 V375Y342-I373 CarbonylContact C-O 3.58Å; Y342-I373 VanDerWaalsContact CA-O 3.25Å; Y342-I373 WeakPolarHBondContact CA-O 3.5Å; A343-I373 PolarHBondContact N-O 3.08Å; A343-I373 PolarHBondContact O-N 2.89Å; W353-I373 HydrophobicContact CZ2-CG2 3.76Å; M367-I373 HydrophobicContact CB-CD1 4.36Å; M367-I373 HydrophobicContact CE-CD1 4.28Å; M367-I373 HydrophobicContact CG-CD1 4.29Å; R371-I373 HydrophobicContact CG-CG1 4.16Å; I373-V375 HydrophobicContact CG2-CG1 4.46Å; I373-V375 PolarHBondContact O-N 3.5Å
374R97.5Very high95Very high110 Ų11055.5 Ų55.542%0.41527%0.265SS..EExtended strand (participates in β ladder)trans-77.2119.2172.5-170.6172.866.2160.511.7109.2D340 Y342 F376 S377 D380D340-R374 HydrophobicContact CB-CG 4.46Å; D340-R374 WeakPolarHBondContact OD2-CD 3.35Å; D340-R374 IonicContact OD2-CZ 2.91Å; D340-R374 IonicContact OD2-NE 2.98Å; D340-R374 IonicContact OD2-NH1 3.82Å; D340-R374 PolarHBondContact OD2-NH1 2.87Å; Y342-R374 HydrophobicContact CD1-CB 3.86Å; Y342-R374 HydrophobicContact CD1-CG 4.38Å; Y342-R374 HydrophobicContact CE1-CB 3.59Å; Y342-R374 HydrophobicContact CE1-CG 4Å; R374-F376 WeakPolarHBondContact CG-O 3.47Å; R374-S377 PolarHBondContact NH1-OG 3.37Å; R374-D380 IonicContact CZ-OD2 2.76Å; R374-D380 IonicContact NH2-OD2 2.68Å; R374-D380 PolarHBondContact NH2-OD2 3.24Å
375V97.5Very high94.8Very high5 Ų552.9 Ų52.93%0.0325%0.249CC..EExtended strand (participates in β ladder)trans-105.5-19.4-177-62.60000113.1I341 A343 W353 I373 V401 F403I341-V375 HydrophobicContact CB-CG2 4.09Å; I341-V375 HydrophobicContact CG2-CG2 3.84Å; I341-V375 WeakPolarHBondContact O-CG2 3.37Å; I341-V375 PolarHBondContact O-N 3.1Å; A343-V375 HydrophobicContact CB-CG1 3.64Å; A343-V375 HydrophobicContact CB-CG2 4.29Å; W353-V375 HydrophobicContact CD2-CG1 3.97Å; W353-V375 HydrophobicContact CE3-CB 3.96Å; W353-V375 HydrophobicContact CE3-CG1 3.69Å; W353-V375 HydrophobicContact CH2-CB 4.28Å; W353-V375 HydrophobicContact CH2-CG1 4.04Å; W353-V375 HydrophobicContact CZ2-CG1 4.3Å; W353-V375 HydrophobicContact CZ3-CB 3.72Å; W353-V375 HydrophobicContact CZ3-CG1 3.74Å; I373-V375 HydrophobicContact CG2-CG1 4.46Å; I373-V375 PolarHBondContact O-N 3.5Å; V375-V401 HydrophobicContact CB-CG1 3.99Å; V375-V401 HydrophobicContact CB-CG2 4.46Å; V375-V401 HydrophobicContact CG2-CG1 4.23Å; V375-V401 HydrophobicContact CG2-CG2 4.44Å; V375-F403 HydrophobicContact CB-CZ 4.5Å; V375-F403 HydrophobicContact CG1-CE1 4.37Å; V375-F403 HydrophobicContact CG1-CZ 4.15Å; V375-F403 HydrophobicContact CG2-CZ 4.31Å
376F97.3Very high94.4Very high5 Ų551.8 Ų51.82%0.02224%0.242CC..EExtended strand (participates in β ladder)trans-146.4141.8174173.1-93.3000109.2I341 P356 R374 L378 F381 F399 V401 P426 A429I341-F376 HydrophobicContact CB-CB 4.05Å; I341-F376 HydrophobicContact CD1-CB 4.03Å; I341-F376 HydrophobicContact CD1-CD1 3.99Å; I341-F376 HydrophobicContact CD1-CG 4.2Å; I341-F376 HydrophobicContact CG1-CB 4.21Å; I341-F376 HydrophobicContact CG1-CD1 4.08Å; I341-F376 PolarHBondContact N-O 3.47Å; I341-F376 PolarHBondContact O-N 2.91Å; P356-F376 HydrophobicContact CG-CD2 4.06Å; R374-F376 WeakPolarHBondContact CG-O 3.47Å; F376-L378 HydrophobicContact CE1-CB 4Å; F376-L378 HydrophobicContact CE1-CD1 4.36Å; F376-L378 HydrophobicContact CZ-CD1 4.28Å; F376-F381 HydrophobicContact CE2-CB 3.94Å; F376-F381 HydrophobicContact CE2-CD2 4.4Å; F376-F381 HydrophobicContact CE2-CG 4.18Å; F376-F381 HydrophobicContact CZ-CB 3.91Å; F376-F381 HydrophobicContact CZ-CD1 4.47Å; F376-F381 HydrophobicContact CZ-CG 4.12Å; F376-F399 HydrophobicContact CD2-CB 4.37Å; F376-F399 HydrophobicContact CE2-CB 3.76Å; F376-V401 HydrophobicContact CB-CG2 4.28Å; F376-P426 HydrophobicContact CD1-CB 4.47Å; F376-P426 HydrophobicContact CD1-CG 4.07Å; F376-P426 HydrophobicContact CD2-CG 3.81Å; F376-P426 HydrophobicContact CE1-CB 4.2Å; F376-P426 HydrophobicContact CE1-CG 4.17Å; F376-P426 HydrophobicContact CE2-CG 3.95Å; F376-P426 HydrophobicContact CG-CG 3.91Å; F376-P426 HydrophobicContact CZ-CB 4.26Å; F376-P426 HydrophobicContact CZ-CG 4.13Å; F376-A429 HydrophobicContact CE2-CB 4.1Å; F376-A429 HydrophobicContact CZ-CB 3.86Å
377S94.8Very high94Very high9 Ų952 Ų526%0.06324%0.239CC..  trans-126.7126167.8-178.40000110.9D340 R374 N379 D380 F381D340-S377 WeakPolarHBondContact OD1-CA 3.14Å; D340-S377 WeakPolarHBondContact OD1-CB 3.35Å; D340-S377 PolarHBondContact OD1-OG 2.88Å; D340-S377 PolarHBondContact OD2-OG 3.45Å; R374-S377 PolarHBondContact NH1-OG 3.37Å; S377-N379 VanDerWaalsContact C-N 3.3Å; S377-N379 PolarHBondContact O-N 3.44Å; S377-N379 PolarHBondContact OG-N 3.37Å; S377-D380 WeakPolarHBondContact CB-OD2 3.47Å; S377-D380 PolarHBondContact O-N 2.67Å; S377-F381 WeakPolarHBondContact O-CB 3.43Å; S377-F381 PolarHBondContact O-N 2.75Å
378L91.1Very high93.5Very high4 Ų454.1 Ų54.12%0.02125%0.248CC..Hα-helixtrans-65.2-40.7178.2-177.464.1000110.2L252 Q339 D340 F376 D380 F381 L382 V428 L432L252-L378 HydrophobicContact CD2-CD2 3.84Å; Q339-L378 HydrophobicContact CB-CB 4.13Å; Q339-L378 HydrophobicContact CB-CD2 3.75Å; Q339-L378 VanDerWaalsContact CD-CD2 3.46Å; Q339-L378 HydrophobicContact CG-CD2 4.26Å; D340-L378 PolarHBondContact OD1-N 2.92Å; D340-L378 VanDerWaalsContact OD1-N 3.11Å; F376-L378 HydrophobicContact CE1-CB 4Å; F376-L378 HydrophobicContact CE1-CD1 4.36Å; F376-L378 HydrophobicContact CZ-CD1 4.28Å; L378-D380 PolarHBondContact O-N 3.33Å; L378-F381 HydrophobicContact CD1-CD1 4.07Å; L378-F381 WeakPolarHBondContact O-CB 3.27Å; L378-F381 PolarHBondContact O-N 3.16Å; L378-L382 HydrophobicContact CD1-CD2 4.47Å; L378-L382 HydrophobicContact CD1-CG 4.21Å; L378-L382 HydrophobicContact CG-CD1 4.07Å; L378-L382 HydrophobicContact CG-CG 4.15Å; L378-L382 WeakPolarHBondContact O-CB 3.3Å; L378-L382 VanDerWaalsContact O-CG 3.23Å; L378-L382 WeakPolarHBondContact O-CG 3.34Å; L378-L382 PolarHBondContact O-N 3.39Å; L378-V428 HydrophobicContact CD1-CG1 4.2Å; L378-V428 HydrophobicContact CD1-CG2 4.49Å; L378-L432 HydrophobicContact CD1-CD1 4.19Å
379N90.4Very high92.9Very high71 Ų7154.1 Ų54.138%0.3825%0.248SC..Hα-helixtrans-60.2-48.1178.9174.777000112S377 F381 L382 Q383S377-N379 VanDerWaalsContact C-N 3.3Å; S377-N379 PolarHBondContact O-N 3.44Å; S377-N379 PolarHBondContact OG-N 3.37Å; N379-F381 VanDerWaalsContact C-N 3.29Å; N379-F381 PolarHBondContact O-N 2.94Å; N379-L382 PolarHBondContact O-N 3.17Å; N379-Q383 PolarHBondContact ND2-NE2 2.78Å; N379-Q383 WeakPolarHBondContact O-CG 3.4Å; N379-Q383 PolarHBondContact O-N 3.31Å
380D92.8Very high92.4Very high77 Ų7754.5 Ų54.541%0.41225%0.253SS..Hα-helixtrans-64.6-38.2-179.4-59.9-14.8000110.6R374 S377 L378 G384R374-D380 IonicContact CZ-OD2 2.76Å; R374-D380 IonicContact NH2-OD2 2.68Å; R374-D380 PolarHBondContact NH2-OD2 3.24Å; S377-D380 WeakPolarHBondContact CB-OD2 3.47Å; S377-D380 PolarHBondContact O-N 2.67Å; L378-D380 PolarHBondContact O-N 3.33Å; D380-G384 PolarHBondContact O-N 2.98Å; D380-G384 VanDerWaalsContact O-N 3.15Å
381F93.9Very high91.9Very high6 Ų651.9 Ų51.93%0.02626%0.258CS..Hα-helixtrans-62.5-48.5173168.8-95.5000112.4F376 S377 L378 N379 Q383 G384 L385 P397 F399 A429 L432 T433F376-F381 HydrophobicContact CE2-CB 3.94Å; F376-F381 HydrophobicContact CE2-CD2 4.4Å; F376-F381 HydrophobicContact CE2-CG 4.18Å; F376-F381 HydrophobicContact CZ-CB 3.91Å; F376-F381 HydrophobicContact CZ-CD1 4.47Å; F376-F381 HydrophobicContact CZ-CG 4.12Å; S377-F381 WeakPolarHBondContact O-CB 3.43Å; S377-F381 PolarHBondContact O-N 2.75Å; L378-F381 HydrophobicContact CD1-CD1 4.07Å; L378-F381 WeakPolarHBondContact O-CB 3.27Å; L378-F381 PolarHBondContact O-N 3.16Å; N379-F381 VanDerWaalsContact C-N 3.29Å; N379-F381 PolarHBondContact O-N 2.94Å; F381-Q383 VanDerWaalsContact C-N 3.32Å; F381-Q383 PolarHBondContact O-N 2.77Å; F381-G384 PolarHBondContact O-N 3.24Å; F381-G384 VanDerWaalsContact O-N 3.15Å; F381-L385 HydrophobicContact CE1-CD2 4.08Å; F381-L385 HydrophobicContact CZ-CD2 4.22Å; F381-L385 WeakPolarHBondContact O-CB 3.42Å; F381-L385 PolarHBondContact O-N 2.78Å; F381-P397 HydrophobicContact CD2-CB 3.92Å; F381-P397 HydrophobicContact CD2-CG 3.61Å; F381-P397 HydrophobicContact CE2-CB 4.23Å; F381-P397 HydrophobicContact CE2-CG 3.55Å; F381-P397 HydrophobicContact CG-CG 4.44Å; F381-P397 HydrophobicContact CZ-CG 4.34Å; F381-P397 WeakPolarHBondContact O-CG 3.34Å; F381-F399 HydrophobicContact CD2-CB 4.09Å; F381-F399 HydrophobicContact CD2-CD1 4.43Å; F381-F399 HydrophobicContact CE2-CB 4.08Å; F381-F399 AromaticContact CE2-CD1 3.64Å; F381-F399 HydrophobicContact CE2-CD1 3.64Å; F381-F399 HydrophobicContact CE2-CG 4.28Å; F381-F399 HydrophobicContact CZ-CD1 4.28Å; F381-A429 HydrophobicContact CD1-CB 4.19Å; F381-A429 HydrophobicContact CD2-CB 4.32Å; F381-A429 HydrophobicContact CE1-CB 3.86Å; F381-A429 HydrophobicContact CE2-CB 4.01Å; F381-A429 HydrophobicContact CG-CB 4.41Å; F381-A429 HydrophobicContact CZ-CB 3.77Å; F381-A429 VanDerWaalsContact CZ-O 3.26Å; F381-A429 WeakPolarHBondContact CZ-O 3.22Å; F381-L432 HydrophobicContact CE1-CB 3.97Å; F381-L432 HydrophobicContact CE1-CD1 4.12Å; F381-L432 HydrophobicContact CZ-CB 4.42Å; F381-T433 WeakPolarHBondContact CZ-OG1 3.2Å
382L90.3Very high91.6Very high11 Ų1151.9 Ų51.96%0.05826%0.263CS..Hα-helixtrans-60.5-40.8179.4-72.6179.7000112L244 L378 N379 L385 I386 L432L244-L382 HydrophobicContact CD1-CD2 3.83Å; L244-L382 HydrophobicContact CD2-CD1 4.17Å; L244-L382 HydrophobicContact CD2-CD2 3.44Å; L244-L382 VanDerWaalsContact CD2-CD2 3.44Å; L244-L382 HydrophobicContact CD2-CG 4.45Å; L244-L382 HydrophobicContact CG-CD2 4.25Å; L378-L382 HydrophobicContact CD1-CD2 4.47Å; L378-L382 HydrophobicContact CD1-CG 4.21Å; L378-L382 HydrophobicContact CG-CD1 4.07Å; L378-L382 HydrophobicContact CG-CG 4.15Å; L378-L382 WeakPolarHBondContact O-CB 3.3Å; L378-L382 VanDerWaalsContact O-CG 3.23Å; L378-L382 WeakPolarHBondContact O-CG 3.34Å; L378-L382 PolarHBondContact O-N 3.39Å; N379-L382 PolarHBondContact O-N 3.17Å; L382-L385 PolarHBondContact O-N 3.17Å; L382-I386 WeakPolarHBondContact O-CD1 3.47Å; L382-I386 VanDerWaalsContact O-CG1 3.27Å; L382-I386 WeakPolarHBondContact O-CG1 3.45Å; L382-I386 PolarHBondContact O-N 2.72Å; L382-L432 HydrophobicContact CD2-CD1 3.63Å
383Q90.1Very high91.2Very high95 Ų9549.1 Ų49.144%0.44426%0.26SS..Hα-helixtrans-60.6-46.7174.7-70.217812.500111.2N379 F381 L385 I386 L387N379-Q383 PolarHBondContact ND2-NE2 2.78Å; N379-Q383 WeakPolarHBondContact O-CG 3.4Å; N379-Q383 PolarHBondContact O-N 3.31Å; F381-Q383 VanDerWaalsContact C-N 3.32Å; F381-Q383 PolarHBondContact O-N 2.77Å; Q383-L385 VanDerWaalsContact C-N 3.27Å; Q383-L385 PolarHBondContact O-N 3.21Å; Q383-I386 PolarHBondContact O-N 2.94Å; Q383-L387 WeakPolarHBondContact O-CG 3.47Å; Q383-L387 PolarHBondContact O-N 3.11Å; Q383-L387 VanDerWaalsContact O-N 3.15Å
384G91.4Very high90.8Very high19 Ų1951.9 Ų51.920%0.19629%0.288CS..Hα-helixtrans-60.4-36.8174.400000113D380 F381 L387 F388D380-G384 PolarHBondContact O-N 2.98Å; D380-G384 VanDerWaalsContact O-N 3.15Å; F381-G384 PolarHBondContact O-N 3.24Å; F381-G384 VanDerWaalsContact O-N 3.15Å; G384-L387 PolarHBondContact O-N 2.96Å; G384-F388 PolarHBondContact O-N 2.82Å
385L90.4Very high90.4Very high0 Ų052.6 Ų52.60%030%0.3CS..Hα-helixtrans-70.3-38.1-179.4-170.364.5000111.6F381 L382 Q383 F388 Q389 P397 L432 F436F381-L385 HydrophobicContact CE1-CD2 4.08Å; F381-L385 HydrophobicContact CZ-CD2 4.22Å; F381-L385 WeakPolarHBondContact O-CB 3.42Å; F381-L385 PolarHBondContact O-N 2.78Å; L382-L385 PolarHBondContact O-N 3.17Å; Q383-L385 VanDerWaalsContact C-N 3.27Å; Q383-L385 PolarHBondContact O-N 3.21Å; L385-F388 HydrophobicContact CD1-CD1 4.33Å; L385-F388 PolarHBondContact O-N 2.87Å; L385-Q389 WeakPolarHBondContact O-CB 3.36Å; L385-Q389 PolarHBondContact O-N 3.33Å; L385-P397 HydrophobicContact CB-CG 3.96Å; L385-P397 HydrophobicContact CD1-CG 4.32Å; L385-L432 HydrophobicContact CD2-CB 3.92Å; L385-F436 HydrophobicContact CD1-CB 3.96Å; L385-F436 HydrophobicContact CD2-CB 4.04Å; L385-F436 HydrophobicContact CD2-CD1 4.4Å; L385-F436 HydrophobicContact CD2-CD2 3.95Å; L385-F436 HydrophobicContact CD2-CG 3.86Å; L385-F436 HydrophobicContact CG-CB 3.99Å; L385-F436 HydrophobicContact CG-CD1 4.36Å; L385-F436 HydrophobicContact CG-CG 4.09Å
386I86.7Confident90.1Very high17 Ų1754.9 Ų54.99%0.08732%0.315CS..Hα-helixtrans-62.6-43.6173.6-68.1160.6000110.5M240 V241 L382 Q383 F388 Q389 K390M240-I386 HydrophobicContact CB-CG2 4.3Å; M240-I386 VanDerWaalsContact O-CD1 3.28Å; M240-I386 WeakPolarHBondContact O-CD1 3.3Å; V241-I386 HydrophobicContact CG2-CD1 4.48Å; L382-I386 WeakPolarHBondContact O-CD1 3.47Å; L382-I386 VanDerWaalsContact O-CG1 3.27Å; L382-I386 WeakPolarHBondContact O-CG1 3.45Å; L382-I386 PolarHBondContact O-N 2.72Å; Q383-I386 PolarHBondContact O-N 2.94Å; I386-F388 VanDerWaalsContact C-N 3.32Å; I386-F388 PolarHBondContact O-N 3.08Å; I386-Q389 PolarHBondContact O-N 3.25Å; I386-K390 HydrophobicContact CG2-CD 4.21Å; I386-K390 WeakPolarHBondContact O-CG 3.42Å; I386-K390 PolarHBondContact O-N 2.83Å
387L88.9Confident90Very high78 Ų7855.5 Ų55.541%0.40832%0.32SS..Hα-helixtrans-62.9-40.8176.8-65.7174000111.6Q383 G384 K390 G391 E392 A393Q383-L387 WeakPolarHBondContact O-CG 3.47Å; Q383-L387 PolarHBondContact O-N 3.11Å; Q383-L387 VanDerWaalsContact O-N 3.15Å; G384-L387 PolarHBondContact O-N 2.96Å; L387-K390 PolarHBondContact O-N 3.49Å; L387-G391 PolarHBondContact O-N 3Å; L387-E392 HydrophobicContact CB-CB 4.45Å; L387-E392 HydrophobicContact CD2-CB 4.37Å; L387-E392 VanDerWaalsContact CD2-OE2 3.26Å; L387-E392 WeakPolarHBondContact CD2-OE2 3.42Å; L387-E392 PolarHBondContact O-N 3.29Å; L387-A393 HydrophobicContact CB-CB 4.24Å; L387-A393 PolarHBondContact O-N 3.18Å; L387-A393 VanDerWaalsContact O-N 3.16Å
388F88.3Confident90Very high46 Ų4659.1 Ų59.120%0.20234%0.343CS..Hα-helixtrans-61.7-47.1174.1175.4-110.4000112G384 L385 I386 K390 G391 A393 N395 P396G384-F388 PolarHBondContact O-N 2.82Å; L385-F388 HydrophobicContact CD1-CD1 4.33Å; L385-F388 PolarHBondContact O-N 2.87Å; I386-F388 VanDerWaalsContact C-N 3.32Å; I386-F388 PolarHBondContact O-N 3.08Å; F388-K390 VanDerWaalsContact C-N 3.27Å; F388-K390 PolarHBondContact O-N 3.35Å; F388-G391 PolarHBondContact O-N 3.43Å; F388-A393 HydrophobicContact CB-CB 4.29Å; F388-A393 WeakPolarHBondContact CD2-O 3.26Å; F388-N395 WeakPolarHBondContact CD2-O 3.42Å; F388-P396 HydrophobicContact CD1-CB 4.05Å; F388-P396 HydrophobicContact CE1-CB 4.08Å; F388-P396 HydrophobicContact CG-CB 4.29Å; F388-P396 HydrophobicContact CZ-CB 4.35Å; F388-P396 HydrophobicContact CZ-CG 4.48Å
389Q84.8Confident90.2Very high109 Ų10960.4 Ų60.451%0.50935%0.348SS..Hα-helixtrans-61.4-34.4178.4-170.4-172.718.400112.8L385 I386 G391 F436L385-Q389 WeakPolarHBondContact O-CB 3.36Å; L385-Q389 PolarHBondContact O-N 3.33Å; I386-Q389 PolarHBondContact O-N 3.25Å; Q389-G391 PolarHBondContact O-N 2.98Å; Q389-F436 HydrophobicContact CB-CD1 4.24Å; Q389-F436 VanDerWaalsContact CD-CD1 3.43Å; Q389-F436 HydrophobicContact CG-CD1 4.13Å; Q389-F436 VanDerWaalsContact OE1-CD1 3.27Å
390K85.3Confident90.5Very high104 Ų10459.5 Ų59.545%0.45234%0.343SS..THydrogen-bonded Turntrans-74.8-5.7175.8-70.9178.5179.1-1750113.9M240 I386 L387 F388 E392M240-K390 WeakPolarHBondContact SD-CE 3.38Å; M240-K390 PolarHBondContact SD-NZ 2.91Å; I386-K390 HydrophobicContact CG2-CD 4.21Å; I386-K390 WeakPolarHBondContact O-CG 3.42Å; I386-K390 PolarHBondContact O-N 2.83Å; L387-K390 PolarHBondContact O-N 3.49Å; F388-K390 VanDerWaalsContact C-N 3.27Å; F388-K390 PolarHBondContact O-N 3.35Å; K390-E392 HydrophobicContact CB-CG 4.01Å; K390-E392 WeakPolarHBondContact CD-OE1 3.42Å; K390-E392 PolarHBondContact O-N 3.23Å
391G87Confident90.7Very high64 Ų6455.9 Ų55.966%0.6632%0.324SS*.THydrogen-bonded Turntrans73.411.9-17300000113.8L387 F388 Q389L387-G391 PolarHBondContact O-N 3Å; F388-G391 PolarHBondContact O-N 3.43Å; Q389-G391 PolarHBondContact O-N 2.98Å
392E91.4Very high90.9Very high134 Ų13456.5 Ų56.563%0.62633%0.327SS*.SBendtrans-82.2-21.8177-64.9176.5-148.900111.8L387 K390L387-E392 HydrophobicContact CB-CB 4.45Å; L387-E392 HydrophobicContact CD2-CB 4.37Å; L387-E392 VanDerWaalsContact CD2-OE2 3.26Å; L387-E392 WeakPolarHBondContact CD2-OE2 3.42Å; L387-E392 PolarHBondContact O-N 3.29Å; K390-E392 HydrophobicContact CB-CG 4.01Å; K390-E392 WeakPolarHBondContact CD-OE1 3.42Å; K390-E392 PolarHBondContact O-N 3.23Å
393A88.1Confident91.2Very high33 Ų3356 Ų5627%0.27332%0.324SS..SBendtrans-114.5138.5169.500000110.6L387 F388L387-A393 HydrophobicContact CB-CB 4.24Å; L387-A393 PolarHBondContact O-N 3.18Å; L387-A393 VanDerWaalsContact O-N 3.16Å; F388-A393 HydrophobicContact CB-CB 4.29Å; F388-A393 WeakPolarHBondContact CD2-O 3.26Å
394A88.1Confident91.6Very high93 Ų9351.4 Ų51.477%0.76930%0.303SS*.SBendtrans-75.6-27.8-177.300000113.9
395N90.3Very high92Very high125 Ų12550.6 Ų50.667%0.66829%0.294SS*.SBendtrans-129.2151.1-176.5-62.7-53.5000109.9F388F388-N395 WeakPolarHBondContact CD2-O 3.42Å
396P91.2Very high92.3Very high52 Ų5252.1 Ų52.134%0.33831%0.31SS..PPolyproline II helixtrans-63.3150.7173.727.7-34.4000110.7F388 T433F388-P396 HydrophobicContact CD1-CB 4.05Å; F388-P396 HydrophobicContact CE1-CB 4.08Å; F388-P396 HydrophobicContact CG-CB 4.29Å; F388-P396 HydrophobicContact CZ-CB 4.35Å; F388-P396 HydrophobicContact CZ-CG 4.48Å; P396-T433 HydrophobicContact CB-CG2 3.86Å; P396-T433 HydrophobicContact CG-CG2 4.29Å
397P94Very high92.8Very high19 Ų1953.9 Ų53.912%0.12332%0.318CS..PPolyproline II helixtrans-62.9136.3177.227.7-36.6000110.9F381 L385F381-P397 HydrophobicContact CD2-CB 3.92Å; F381-P397 HydrophobicContact CD2-CG 3.61Å; F381-P397 HydrophobicContact CE2-CB 4.23Å; F381-P397 HydrophobicContact CE2-CG 3.55Å; F381-P397 HydrophobicContact CG-CG 4.44Å; F381-P397 HydrophobicContact CZ-CG 4.34Å; F381-P397 WeakPolarHBondContact O-CG 3.34Å; L385-P397 HydrophobicContact CB-CG 3.96Å; L385-P397 HydrophobicContact CD1-CG 4.32Å
398P94.8Very high93.1Very high85 Ų8554.4 Ų54.455%0.55232%0.321SS*.PPolyproline II helixtrans-68.6149.7174.729.8-34.7000110.7P356P356-P398 HydrophobicContact CB-CG 4.5Å; P356-P398 WeakPolarHBondContact CB-O 3.39Å; P356-P398 VanDerWaalsContact CG-O 3.22Å; P356-P398 WeakPolarHBondContact CG-O 3.29Å
399F95.9Very high93.5Very high30 Ų3053 Ų5313%0.13231%0.314CS..  trans-134.4-9.2176.450.9-95.2000113.7F376 F381 V425 P426 A429 R430 T433F376-F399 HydrophobicContact CD2-CB 4.37Å; F376-F399 HydrophobicContact CE2-CB 3.76Å; F381-F399 HydrophobicContact CD2-CB 4.09Å; F381-F399 HydrophobicContact CD2-CD1 4.43Å; F381-F399 HydrophobicContact CE2-CB 4.08Å; F381-F399 AromaticContact CE2-CD1 3.64Å; F381-F399 HydrophobicContact CE2-CD1 3.64Å; F381-F399 HydrophobicContact CE2-CG 4.28Å; F381-F399 HydrophobicContact CZ-CD1 4.28Å; F399-V425 HydrophobicContact CD2-CG1 3.72Å; F399-V425 HydrophobicContact CE2-CG1 3.5Å; F399-V425 VanDerWaalsContact CE2-CG1 3.5Å; F399-P426 WeakPolarHBondContact O-CD 3.45Å; F399-A429 HydrophobicContact CB-CB 3.46Å; F399-A429 VanDerWaalsContact CB-CB 3.46Å; F399-A429 HydrophobicContact CD1-CB 4.12Å; F399-A429 HydrophobicContact CD2-CB 4.1Å; F399-A429 HydrophobicContact CG-CB 3.63Å; F399-R430 HydrophobicContact CE2-CB 3.88Å; F399-R430 HydrophobicContact CZ-CB 3.95Å; F399-R430 HydrophobicContact CZ-CG 4.41Å; F399-T433 HydrophobicContact CE1-CG2 4.37Å; F399-T433 WeakPolarHBondContact CE1-OG1 3.26Å
400D95.9Very high93.9Very high52 Ų5247.9 Ų47.928%0.27829%0.29SS..  trans-67.4132.8175.4-69.6-51.7000111.3G355 F402 Q423 V425G355-D400 WeakPolarHBondContact CA-O 3.15Å; D400-F402 HydrophobicContact CB-CD2 4.41Å; D400-F402 HydrophobicContact CB-CE2 3.68Å; D400-F402 HydrophobicContact CB-CZ 4.05Å; D400-Q423 PolarHBondContact OD1-NE2 2.86Å; D400-V425 VanDerWaalsContact OD1-CG2 3.29Å; D400-V425 WeakPolarHBondContact OD1-CG2 3.37Å
401V97.6Very high94.1Very high1 Ų144.5 Ų44.51%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-113.5127.6170.7-174.70000108.5W353 S354 V375 F376 F403 Q423 V424W353-V401 HydrophobicContact CE3-CG1 4.19Å; S354-V401 WeakPolarHBondContact O-CA 3.48Å; V375-V401 HydrophobicContact CB-CG1 3.99Å; V375-V401 HydrophobicContact CB-CG2 4.46Å; V375-V401 HydrophobicContact CG2-CG1 4.23Å; V375-V401 HydrophobicContact CG2-CG2 4.44Å; F376-V401 HydrophobicContact CB-CG2 4.28Å; V401-F403 HydrophobicContact CB-CE2 4.33Å; V401-F403 HydrophobicContact CG1-CD2 4.24Å; V401-F403 HydrophobicContact CG1-CE1 4.41Å; V401-F403 HydrophobicContact CG1-CE2 3.51Å; V401-F403 HydrophobicContact CG1-CZ 3.61Å; V401-Q423 CarbonylContact O-C 3.53Å; V401-Q423 WeakPolarHBondContact O-CA 3.16Å; V401-V424 HydrophobicContact CB-CB 4.3Å; V401-V424 PolarHBondContact N-O 3.23Å; V401-V424 PolarHBondContact O-N 3.07Å
402F97.6Very high94.1Very high19 Ų1951.8 Ų51.88%0.08329%0.285CS..EExtended strand (participates in β ladder)trans-111.4131.4178.4-65.4-82.6000110.5W353 S354 D400 M421 V422 Q423W353-F402 CarbonylContact C-O 3.57Å; W353-F402 WeakPolarHBondContact CA-O 3.48Å; W353-F402 WeakPolarHBondContact CB-O 3.16Å; S354-F402 PolarHBondContact N-O 2.92Å; S354-F402 PolarHBondContact O-N 3.09Å; D400-F402 HydrophobicContact CB-CD2 4.41Å; D400-F402 HydrophobicContact CB-CE2 3.68Å; D400-F402 HydrophobicContact CB-CZ 4.05Å; F402-M421 HydrophobicContact CB-CE 3.99Å; F402-M421 HydrophobicContact CD1-CE 4.4Å; F402-V422 CarbonylContact C-O 3.55Å; F402-V422 WeakPolarHBondContact CA-O 3.47Å; F402-Q423 HydrophobicContact CD1-CB 3.84Å; F402-Q423 HydrophobicContact CD1-CG 4.02Å; F402-Q423 HydrophobicContact CE1-CB 3.64Å; F402-Q423 HydrophobicContact CE1-CG 3.49Å; F402-Q423 VanDerWaalsContact CE1-CG 3.49Å; F402-Q423 HydrophobicContact CZ-CG 3.94Å
403F98.4Very high94Very high0 Ų050.6 Ų50.60%028%0.278CS..EExtended strand (participates in β ladder)trans-114.5128.9172.3-63.5-82.1000110.1L332 L334 A343 V351 F352 W353 M367 V375 V401 F405 M421 V422 V424L332-F403 HydrophobicContact CD2-CB 4.46Å; L332-F403 HydrophobicContact CD2-CD1 3.76Å; L332-F403 HydrophobicContact CD2-CD2 4.31Å; L332-F403 HydrophobicContact CD2-CE1 4.03Å; L332-F403 HydrophobicContact CD2-CG 3.92Å; L332-F403 HydrophobicContact CD2-CZ 4.4Å; L334-F403 HydrophobicContact CD2-CE2 3.79Å; L334-F403 HydrophobicContact CD2-CZ 3.74Å; A343-F403 HydrophobicContact CB-CE1 3.95Å; A343-F403 HydrophobicContact CB-CZ 3.89Å; V351-F403 HydrophobicContact CG1-CB 4.2Å; V351-F403 HydrophobicContact CG1-CD1 3.87Å; V351-F403 HydrophobicContact CG1-CG 4.48Å; F352-F403 CarbonylContact O-C 3.6Å; F352-F403 WeakPolarHBondContact O-CA 3.38Å; W353-F403 HydrophobicContact CB-CD1 3.59Å; W353-F403 HydrophobicContact CB-CE1 3.72Å; W353-F403 HydrophobicContact CB-CG 4.48Å; W353-F403 HydrophobicContact CG-CE1 4.33Å; M367-F403 HydrophobicContact SD-CD1 4.02Å; M367-F403 HydrophobicContact SD-CE1 3.78Å; V375-F403 HydrophobicContact CB-CZ 4.5Å; V375-F403 HydrophobicContact CG1-CE1 4.37Å; V375-F403 HydrophobicContact CG1-CZ 4.15Å; V375-F403 HydrophobicContact CG2-CZ 4.31Å; V401-F403 HydrophobicContact CB-CE2 4.33Å; V401-F403 HydrophobicContact CG1-CD2 4.24Å; V401-F403 HydrophobicContact CG1-CE1 4.41Å; V401-F403 HydrophobicContact CG1-CE2 3.51Å; V401-F403 HydrophobicContact CG1-CZ 3.61Å; F403-F405 HydrophobicContact CB-CD2 4.4Å; F403-F405 HydrophobicContact CB-CE2 3.55Å; F403-F405 HydrophobicContact CB-CZ 3.93Å; F403-M421 CarbonylContact O-C 3.57Å; F403-M421 WeakPolarHBondContact O-CA 3.49Å; F403-V422 PolarHBondContact N-O 3.27Å; F403-V422 PolarHBondContact O-N 2.83Å; F403-V424 HydrophobicContact CD2-CG2 3.85Å; F403-V424 HydrophobicContact CE2-CB 4.49Å; F403-V424 HydrophobicContact CE2-CG2 3.71Å
404C98.3Very high94.2Very high0 Ų051.9 Ų51.90%028%0.283CS..EExtended strand (participates in β ladder)trans-108.6128.2173.2-169.50000109.6V351 F352 E407 W409 M421V351-C404 WeakPolarHBondContact CA-O 3.12Å; F352-C404 HydrophobicContact CB-CB 4.31Å; F352-C404 PolarHBondContact N-O 3.24Å; F352-C404 PolarHBondContact O-N 3.33Å; C404-E407 PolarHBondContact SG-O 2.94Å; C404-W409 HydrophobicContact CB-CB 3.39Å; C404-W409 HydrophobicContact CB-CG 3.79Å; C404-M421 HydrophobicContact CB-CE 4.35Å; C404-M421 HydrophobicContact CB-SD 3.42Å; C404-M421 WeakPolarHBondContact CB-SD 3.38Å
405F98.6Very high94.4Very high1 Ų151.9 Ų51.90%0.00427%0.266CS..EExtended strand (participates in β ladder)trans-107.8122.6-176-62.7-102.5000109.8F306 M328 L332 V351 F403 E407 I420 V422F306-F405 HydrophobicContact CE1-CD2 4.46Å; F306-F405 HydrophobicContact CE1-CE2 4.33Å; F306-F405 HydrophobicContact CZ-CD1 4.3Å; F306-F405 HydrophobicContact CZ-CD2 4.32Å; F306-F405 AromaticContact CZ-CE1 3.93Å; F306-F405 HydrophobicContact CZ-CE1 3.93Å; F306-F405 AromaticContact CZ-CE2 3.93Å; F306-F405 HydrophobicContact CZ-CE2 3.93Å; F306-F405 HydrophobicContact CZ-CG 4.5Å; F306-F405 AromaticContact CZ-CZ 3.73Å; F306-F405 HydrophobicContact CZ-CZ 3.73Å; M328-F405 HydrophobicContact CE-CD1 3.47Å; M328-F405 VanDerWaalsContact CE-CD1 3.47Å; M328-F405 HydrophobicContact CE-CE1 3.42Å; M328-F405 VanDerWaalsContact CE-CE1 3.42Å; M328-F405 HydrophobicContact CE-CZ 4.48Å; M328-F405 HydrophobicContact SD-CD1 3.89Å; M328-F405 HydrophobicContact SD-CE1 4.35Å; L332-F405 HydrophobicContact CB-CE1 4.19Å; L332-F405 HydrophobicContact CB-CZ 4.46Å; L332-F405 HydrophobicContact CD2-CE1 4.1Å; L332-F405 HydrophobicContact CD2-CZ 3.71Å; V351-F405 HydrophobicContact CG1-CD1 4.33Å; V351-F405 HydrophobicContact CG1-CE1 4.04Å; V351-F405 HydrophobicContact CG1-CZ 4.23Å; V351-F405 HydrophobicContact CG2-CD1 3.63Å; V351-F405 HydrophobicContact CG2-CE1 3.66Å; F403-F405 HydrophobicContact CB-CD2 4.4Å; F403-F405 HydrophobicContact CB-CE2 3.55Å; F403-F405 HydrophobicContact CB-CZ 3.93Å; F405-E407 VanDerWaalsContact C-N 3.3Å; F405-E407 PolarHBondContact O-N 2.91Å; F405-I420 HydrophobicContact CB-CB 4Å; F405-I420 HydrophobicContact CB-CG2 3.88Å; F405-I420 HydrophobicContact CD2-CG2 3.75Å; F405-I420 HydrophobicContact CG-CG2 4.06Å; F405-I420 PolarHBondContact N-O 2.98Å; F405-I420 VanDerWaalsContact N-O 3.09Å; F405-V422 HydrophobicContact CD2-CG2 4.28Å; F405-V422 HydrophobicContact CE2-CB 4Å; F405-V422 HydrophobicContact CE2-CG2 3.59Å; F405-V422 HydrophobicContact CZ-CG2 4.35Å
406G97.2Very high94.6Very high33 Ų3350.5 Ų50.534%0.3426%0.255SS..SBendtrans85.1-9173.100000115.7C349 K350C349-G406 PolarHBondContact SG-N 2.87Å; K350-G406 PolarHBondContact O-N 2.8Å
407E97Very high94.7Very high54 Ų5452.8 Ų52.825%0.25226%0.26SS..SBendtrans-131.8148.5-178.4-64.7-177.399.300111.8F352 C404 F405 W409 K418 L419F352-E407 WeakPolarHBondContact CD2-O 3.46Å; F352-E407 WeakPolarHBondContact CE2-O 3.05Å; C404-E407 PolarHBondContact SG-O 2.94Å; F405-E407 VanDerWaalsContact C-N 3.3Å; F405-E407 PolarHBondContact O-N 2.91Å; E407-W409 PolarHBondContact O-N 2.97Å; E407-K418 HydrophobicContact CB-CD 4.25Å; E407-K418 VanDerWaalsContact OE2-CA 3.3Å; E407-K418 WeakPolarHBondContact OE2-CA 3.4Å; E407-L419 WeakPolarHBondContact OE2-CB 3.4Å; E407-L419 PolarHBondContact OE2-N 3.47Å
408D96.4Very high94.8Very high89 Ų8952 Ų5248%0.47626%0.255SS..  trans-58.2132.5178-66.8-21.2000111F352 P364 D411 K418F352-D408 HydrophobicContact CE1-CB 4.43Å; F352-D408 HydrophobicContact CZ-CB 4.43Å; F352-D408 WeakPolarHBondContact CZ-OD1 3.43Å; P364-D408 HydrophobicContact CB-CB 4.06Å; P364-D408 HydrophobicContact CG-CB 3.92Å; D408-D411 HydrophobicContact CB-CB 4.21Å; D408-K418 PolarHBondContact O-NZ 3.32Å
409W94.8Very high95Very high16 Ų1648.9 Ų48.96%0.06123%0.233CC..SBendtrans-151.6140.5175.1176.6-98.8000111.1F352 S354 P364 N365 C404 E407 K415 K418 M421F352-W409 HydrophobicContact CB-CB 3.72Å; F352-W409 WeakPolarHBondContact CB-O 3.43Å; F352-W409 WeakPolarHBondContact CD1-O 3.43Å; S354-W409 PolarHBondContact OG-NE1 2.83Å; P364-W409 CarbonylContact C-O 3.6Å; P364-W409 WeakPolarHBondContact CA-O 3.23Å; N365-W409 PolarHBondContact N-O 3.42Å; C404-W409 HydrophobicContact CB-CB 3.39Å; C404-W409 HydrophobicContact CB-CG 3.79Å; E407-W409 PolarHBondContact O-N 2.97Å; W409-K415 HydrophobicContact CH2-CB 3.76Å; W409-K415 HydrophobicContact CZ3-CB 4.04Å; W409-K418 HydrophobicContact CE3-CG 4.45Å; W409-M421 HydrophobicContact CD2-CE 4.23Å; W409-M421 HydrophobicContact CZ2-CE 4.13Å
410P93.7Very high95.1Very high1 Ų147.5 Ų47.51%0.00623%0.227CC..SBendcis-65.5147.4-15.6-16.530.7000112.5E360 P363 P364E360-P410 WeakPolarHBondContact O-CB 3.32Å; P363-P410 CarbonylContact C-O 3.54Å; P364-P410 WeakPolarHBondContact CA-O 3.18Å; P364-P410 WeakPolarHBondContact CD-O 3.3Å; P364-P410 WeakPolarHBondContact CG-O 3.5Å; P364-P410 VanDerWaalsContact N-O 3.16Å
411D90.3Very high95.2Very high33 Ų3345.5 Ų45.518%0.17622%0.216CC..SBendtrans-13921.8-179.877.8-28.9000113.5D408 K413 K418D408-D411 HydrophobicContact CB-CB 4.21Å; D411-K413 PolarHBondContact O-N 3.38Å; D411-K413 VanDerWaalsContact O-N 3.08Å; D411-K413 WeakPolarHBondContact OD1-CB 3.31Å; D411-K413 PolarHBondContact OD1-N 2.98Å; D411-K413 IonicContact OD2-NZ 2.71Å; D411-K413 PolarHBondContact OD2-NZ 2.91Å; D411-K418 WeakPolarHBondContact OD1-CE 3.45Å; D411-K418 IonicContact OD1-NZ 3.21Å; D411-K418 PolarHBondContact OD1-NZ 3.12Å; D411-K418 IonicContact OD2-NZ 3.04Å; D411-K418 PolarHBondContact OD2-NZ 3.48Å
412R86.8Confident95.3Very high217 Ų21745.4 Ų45.482%0.81922%0.216SC*.SBendtrans64.9-4-175.1-49.7178.8179.6-167.8-2115.5
413K89.6Confident95.3Very high110 Ų11045.8 Ų45.848%0.47822%0.218SC..SBendtrans-81.5147.7171.3-59.6-170.5-163.5107.80109.7D411D411-K413 PolarHBondContact O-N 3.38Å; D411-K413 VanDerWaalsContact O-N 3.08Å; D411-K413 WeakPolarHBondContact OD1-CB 3.31Å; D411-K413 PolarHBondContact OD1-N 2.98Å; D411-K413 IonicContact OD2-NZ 2.71Å; D411-K413 PolarHBondContact OD2-NZ 2.91Å
414P91.4Very high95.3Very high60 Ų6045.9 Ų45.939%0.3922%0.219SC..  trans-58.6142.9172.223.3-33.1000111.1E416 K417P414-E416 VanDerWaalsContact CB-OE2 3.26Å; P414-E416 WeakPolarHBondContact CB-OE2 3.49Å; P414-E416 PolarHBondContact O-N 3.25Å; P414-K417 HydrophobicContact CG-CB 4.46Å; P414-K417 HydrophobicContact CG-CD 3.77Å; P414-K417 HydrophobicContact CG-CG 3.9Å; P414-K417 PolarHBondContact O-N 2.96Å
415K92Very high95.3Very high92 Ų9246.1 Ų46.140%0.422%0.22SC..G310 helixtrans-59.4-26.6179.262.4-173.6177-171.70112.3W409 K417 K418 M421W409-K415 HydrophobicContact CH2-CB 3.76Å; W409-K415 HydrophobicContact CZ3-CB 4.04Å; K415-K417 PolarHBondContact O-N 2.91Å; K415-K418 VanDerWaalsContact O-CB 3.28Å; K415-K418 WeakPolarHBondContact O-CB 3.42Å; K415-K418 WeakPolarHBondContact O-CG 3.41Å; K415-K418 PolarHBondContact O-N 2.74Å; K415-M421 HydrophobicContact CB-CE 4.28Å
416E94.4Very high95.1Very high96 Ų9646.2 Ų46.245%0.44922%0.221SC..G310 helixtrans-65.7-20.8177.8-61.771.1-153.300112.3R264 G265 P414 K418R264-E416 CarbonylContact C-O 3.52Å; R264-E416 VanDerWaalsContact CA-O 3.3Å; R264-E416 WeakPolarHBondContact CA-O 3.5Å; G265-E416 PolarHBondContact N-O 3.36Å; P414-E416 VanDerWaalsContact CB-OE2 3.26Å; P414-E416 WeakPolarHBondContact CB-OE2 3.49Å; P414-E416 PolarHBondContact O-N 3.25Å; E416-K418 VanDerWaalsContact C-N 3.34Å
417K94.4Very high94.9Very high100 Ų10045.1 Ų45.144%0.43521%0.208SC..G310 helixtrans-83.4-9.2174.9-72.3-178.2-176-179.70113.1P414 K415P414-K417 HydrophobicContact CG-CB 4.46Å; P414-K417 HydrophobicContact CG-CD 3.77Å; P414-K417 HydrophobicContact CG-CG 3.9Å; P414-K417 PolarHBondContact O-N 2.96Å; K415-K417 PolarHBondContact O-N 2.91Å
418K96.7Very high94.5Very high3 Ų343 Ų431%0.01320%0.198CC..  trans-80.6135.2-177.7-58.6-59.9-177.31790112.3R264 E407 D408 W409 D411 K415 E416 I420 M421R264-K418 WeakPolarHBondContact CA-O 3.35Å; R264-K418 PolarHBondContact N-O 3.48Å; E407-K418 HydrophobicContact CB-CD 4.25Å; E407-K418 VanDerWaalsContact OE2-CA 3.3Å; E407-K418 WeakPolarHBondContact OE2-CA 3.4Å; D408-K418 PolarHBondContact O-NZ 3.32Å; W409-K418 HydrophobicContact CE3-CG 4.45Å; D411-K418 WeakPolarHBondContact OD1-CE 3.45Å; D411-K418 IonicContact OD1-NZ 3.21Å; D411-K418 PolarHBondContact OD1-NZ 3.12Å; D411-K418 IonicContact OD2-NZ 3.04Å; D411-K418 PolarHBondContact OD2-NZ 3.48Å; K415-K418 VanDerWaalsContact O-CB 3.28Å; K415-K418 WeakPolarHBondContact O-CB 3.42Å; K415-K418 WeakPolarHBondContact O-CG 3.41Å; K415-K418 PolarHBondContact O-N 2.74Å; E416-K418 VanDerWaalsContact C-N 3.34Å; K418-I420 PolarHBondContact O-N 3.22Å; K418-M421 HydrophobicContact CB-CG 3.52Å; K418-M421 HydrophobicContact CB-SD 3.78Å; K418-M421 HydrophobicContact CG-CG 4.08Å; K418-M421 HydrophobicContact CG-SD 3.82Å
419L97.3Very high94.3Very high19 Ų1938.8 Ų38.810%0.09918%0.175CC..SBendtrans-61.2-42.6-178.6-72.5174.8000112.5Y263 R264 Q317 L324 E407Y263-L419 WeakPolarHBondContact CA-O 3.23Å; Y263-L419 WeakPolarHBondContact CD1-O 3.34Å; R264-L419 PolarHBondContact N-O 3.38Å; Q317-L419 HydrophobicContact CG-CD2 4.01Å; L324-L419 HydrophobicContact CD1-CB 4.24Å; L324-L419 HydrophobicContact CD1-CD1 3.98Å; E407-L419 WeakPolarHBondContact OE2-CB 3.4Å; E407-L419 PolarHBondContact OE2-N 3.47Å
420I98.5Very high94.2Very high2 Ų241.2 Ų41.21%0.0119%0.185CC..  trans-140.6114.3-179.7-57.6179.1000109.6Y263 F306 T321 L324 L325 F405 K418Y263-I420 HydrophobicContact CD1-CB 4.25Å; Y263-I420 HydrophobicContact CD1-CG1 3.82Å; Y263-I420 HydrophobicContact CD1-CG2 4.32Å; Y263-I420 HydrophobicContact CE1-CB 4.19Å; Y263-I420 HydrophobicContact CE1-CD1 4.3Å; Y263-I420 HydrophobicContact CE1-CG1 3.74Å; Y263-I420 HydrophobicContact CE1-CG2 3.87Å; F306-I420 HydrophobicContact CD1-CG2 4.32Å; F306-I420 HydrophobicContact CE1-CG2 3.77Å; T321-I420 HydrophobicContact CG2-CD1 4Å; T321-I420 HydrophobicContact CG2-CG1 4Å; L324-I420 HydrophobicContact CB-CD1 3.84Å; L324-I420 HydrophobicContact CD1-CD1 4.16Å; L324-I420 HydrophobicContact CD1-CG1 4.49Å; L325-I420 HydrophobicContact CD2-CD1 3.99Å; L325-I420 HydrophobicContact CG-CD1 4.11Å; F405-I420 HydrophobicContact CB-CB 4Å; F405-I420 HydrophobicContact CB-CG2 3.88Å; F405-I420 HydrophobicContact CD2-CG2 3.75Å; F405-I420 HydrophobicContact CG-CG2 4.06Å; F405-I420 PolarHBondContact N-O 2.98Å; F405-I420 VanDerWaalsContact N-O 3.09Å; K418-I420 PolarHBondContact O-N 3.22Å
421M98.3Very high93.9Very high9 Ų943.3 Ų43.34%0.04420%0.195CC..EExtended strand (participates in β ladder)trans-121.7138.4171.3-67.9-66.1-66.400110.1W262 F402 F403 C404 W409 K415 K418W262-M421 HydrophobicContact CB-CB 4.24Å; W262-M421 PolarHBondContact N-O 3.41Å; W262-M421 PolarHBondContact O-N 3.39Å; F402-M421 HydrophobicContact CB-CE 3.99Å; F402-M421 HydrophobicContact CD1-CE 4.4Å; F403-M421 CarbonylContact O-C 3.57Å; F403-M421 WeakPolarHBondContact O-CA 3.49Å; C404-M421 HydrophobicContact CB-CE 4.35Å; C404-M421 HydrophobicContact CB-SD 3.42Å; C404-M421 WeakPolarHBondContact CB-SD 3.38Å; W409-M421 HydrophobicContact CD2-CE 4.23Å; W409-M421 HydrophobicContact CZ2-CE 4.13Å; K415-M421 HydrophobicContact CB-CE 4.28Å; K418-M421 HydrophobicContact CB-CG 3.52Å; K418-M421 HydrophobicContact CB-SD 3.78Å; K418-M421 HydrophobicContact CG-CG 4.08Å; K418-M421 HydrophobicContact CG-SD 3.82Å
422V98.7Very high93.8Very high0 Ų041.9 Ų41.90%019%0.188CC..EExtended strand (participates in β ladder)trans-122.9124.1169.5-177.40000108.6K260 F261 L281 F306 F402 F403 F405 V424K260-V422 WeakPolarHBondContact O-CA 3.48Å; F261-V422 HydrophobicContact CD1-CG1 4.44Å; F261-V422 HydrophobicContact CD1-CG2 3.62Å; F261-V422 HydrophobicContact CE1-CG1 4.24Å; F261-V422 HydrophobicContact CE1-CG2 3.81Å; L281-V422 HydrophobicContact CD1-CG1 3.98Å; F306-V422 HydrophobicContact CE1-CG2 3.55Å; F306-V422 HydrophobicContact CZ-CG2 3.94Å; F402-V422 CarbonylContact C-O 3.55Å; F402-V422 WeakPolarHBondContact CA-O 3.47Å; F403-V422 PolarHBondContact N-O 3.27Å; F403-V422 PolarHBondContact O-N 2.83Å; F405-V422 HydrophobicContact CD2-CG2 4.28Å; F405-V422 HydrophobicContact CE2-CB 4Å; F405-V422 HydrophobicContact CE2-CG2 3.59Å; F405-V422 HydrophobicContact CZ-CG2 4.35Å; V422-V424 HydrophobicContact CG1-CG2 4.3Å
423Q98.3Very high93.9Very high27 Ų2732.3 Ų32.313%0.12615%0.153CC..EExtended strand (participates in β ladder)trans-95.9134.1168.3-178.6-178.37.500108.6L259 K260 D400 V401 F402 V425L259-Q423 WeakPolarHBondContact CA-O 3.46Å; K260-Q423 HydrophobicContact CB-CB 4.28Å; K260-Q423 PolarHBondContact N-O 3.49Å; K260-Q423 PolarHBondContact O-N 3.4Å; D400-Q423 PolarHBondContact OD1-NE2 2.86Å; V401-Q423 CarbonylContact O-C 3.53Å; V401-Q423 WeakPolarHBondContact O-CA 3.16Å; F402-Q423 HydrophobicContact CD1-CB 3.84Å; F402-Q423 HydrophobicContact CD1-CG 4.02Å; F402-Q423 HydrophobicContact CE1-CB 3.64Å; F402-Q423 HydrophobicContact CE1-CG 3.49Å; F402-Q423 VanDerWaalsContact CE1-CG 3.49Å; F402-Q423 HydrophobicContact CZ-CG 3.94Å; Q423-V425 HydrophobicContact CG-CG2 3.9Å
424V98.5Very high93.7Very high2 Ų232.1 Ų32.11%0.01215%0.154CC..EExtended strand (participates in β ladder)trans-117.6123.5174.5-176.20000107.7L257 D258 L259 L334 V401 F403 V422L257-V424 HydrophobicContact CB-CG1 4.37Å; L257-V424 HydrophobicContact CD1-CG1 4.44Å; D258-V424 WeakPolarHBondContact O-CA 3.19Å; L259-V424 HydrophobicContact CD2-CB 4.2Å; L259-V424 HydrophobicContact CD2-CG1 3.94Å; L259-V424 HydrophobicContact CD2-CG2 3.72Å; L334-V424 HydrophobicContact CD1-CG1 4.13Å; L334-V424 HydrophobicContact CD1-CG2 3.72Å; V401-V424 HydrophobicContact CB-CB 4.3Å; V401-V424 PolarHBondContact N-O 3.23Å; V401-V424 PolarHBondContact O-N 3.07Å; F403-V424 HydrophobicContact CD2-CG2 3.85Å; F403-V424 HydrophobicContact CE2-CB 4.49Å; F403-V424 HydrophobicContact CE2-CG2 3.71Å; V422-V424 HydrophobicContact CG1-CG2 4.3Å
425V97.8Very high93.2Very high4 Ų432.9 Ų32.92%0.02415%0.154CC..EExtended strand (participates in β ladder)trans-118.5113.3-179.5-166.80000108.9D258 F399 D400 Q423 V427D258-V425 HydrophobicContact CB-CB 4.15Å; D258-V425 PolarHBondContact N-O 3.38Å; D258-V425 PolarHBondContact O-N 3.25Å; F399-V425 HydrophobicContact CD2-CG1 3.72Å; F399-V425 HydrophobicContact CE2-CG1 3.5Å; F399-V425 VanDerWaalsContact CE2-CG1 3.5Å; D400-V425 VanDerWaalsContact OD1-CG2 3.29Å; D400-V425 WeakPolarHBondContact OD1-CG2 3.37Å; Q423-V425 HydrophobicContact CG-CG2 3.9Å; V425-V427 PolarHBondContact O-N 3.03Å; V425-V427 VanDerWaalsContact O-N 3.17Å
426P95.8Very high92.5Very high3 Ų330.6 Ų30.62%0.01914%0.144CC..EExtended strand (participates in β ladder)trans-66.4112.9170.8-13.227.4000108.8I341 F376 F399 V428 A429 R430I341-P426 HydrophobicContact CD1-CB 4.04Å; I341-P426 HydrophobicContact CD1-CG 3.65Å; F376-P426 HydrophobicContact CD1-CB 4.47Å; F376-P426 HydrophobicContact CD1-CG 4.07Å; F376-P426 HydrophobicContact CD2-CG 3.81Å; F376-P426 HydrophobicContact CE1-CB 4.2Å; F376-P426 HydrophobicContact CE1-CG 4.17Å; F376-P426 HydrophobicContact CE2-CG 3.95Å; F376-P426 HydrophobicContact CG-CG 3.91Å; F376-P426 HydrophobicContact CZ-CB 4.26Å; F376-P426 HydrophobicContact CZ-CG 4.13Å; F399-P426 WeakPolarHBondContact O-CD 3.45Å; P426-V428 VanDerWaalsContact C-N 3.25Å; P426-V428 HydrophobicContact CB-CG1 4.43Å; P426-V428 PolarHBondContact O-N 3.29Å; P426-A429 HydrophobicContact CB-CB 4.08Å; P426-A429 WeakPolarHBondContact O-CB 3.37Å; P426-A429 PolarHBondContact O-N 3.24Å; P426-R430 PolarHBondContact O-N 3.33Å
427V92.5Very high91.5Very high11 Ų1128.8 Ų28.87%0.06714%0.141CC..Hα-helixtrans-62.1-37.2-173.8173.10000111.3I254 D256 D258 V425 A429 R430 I431I254-V427 HydrophobicContact CG2-CB 4.35Å; I254-V427 HydrophobicContact CG2-CG1 4.34Å; D256-V427 HydrophobicContact CB-CB 3.75Å; D256-V427 HydrophobicContact CB-CG1 4.29Å; D256-V427 HydrophobicContact CB-CG2 3.63Å; D256-V427 WeakPolarHBondContact O-CB 3.39Å; D256-V427 WeakPolarHBondContact O-CG2 3.23Å; D256-V427 PolarHBondContact O-N 2.9Å; D258-V427 HydrophobicContact CB-CG2 4.48Å; V425-V427 PolarHBondContact O-N 3.03Å; V425-V427 VanDerWaalsContact O-N 3.17Å; V427-A429 VanDerWaalsContact C-N 3.28Å; V427-A429 PolarHBondContact O-N 3.31Å; V427-R430 PolarHBondContact O-N 3.09Å; V427-I431 HydrophobicContact CG1-CD1 3.77Å; V427-I431 HydrophobicContact CG1-CG1 4.29Å; V427-I431 WeakPolarHBondContact O-CG1 3.35Å; V427-I431 PolarHBondContact O-N 3.02Å
428V89Confident89.8Confident9 Ų926.5 Ų26.56%0.05515%0.146CC..Hα-helixtrans-56.6-40.6174.364.30000112.2L251 I254 L378 P426 L432L251-V428 WeakPolarHBondContact O-CG2 3.42Å; I254-V428 HydrophobicContact CB-CB 4.34Å; I254-V428 HydrophobicContact CG2-CB 4.41Å; L378-V428 HydrophobicContact CD1-CG1 4.2Å; L378-V428 HydrophobicContact CD1-CG2 4.49Å; P426-V428 VanDerWaalsContact C-N 3.25Å; P426-V428 HydrophobicContact CB-CG1 4.43Å; P426-V428 PolarHBondContact O-N 3.29Å; V428-L432 HydrophobicContact CG2-CD1 3.94Å; V428-L432 HydrophobicContact CG2-CG 4.44Å; V428-L432 WeakPolarHBondContact O-CB 3.45Å; V428-L432 WeakPolarHBondContact O-CD1 3.4Å; V428-L432 WeakPolarHBondContact O-CG 3.48Å; V428-L432 PolarHBondContact O-N 3Å
429A92.3Very high87.4Confident0 Ų034.7 Ų34.70%019%0.185CC..Hα-helixtrans-68.8-42.5-18000000111.3F376 F381 F399 P426 V427 L432 T433F376-A429 HydrophobicContact CE2-CB 4.1Å; F376-A429 HydrophobicContact CZ-CB 3.86Å; F381-A429 HydrophobicContact CD1-CB 4.19Å; F381-A429 HydrophobicContact CD2-CB 4.32Å; F381-A429 HydrophobicContact CE1-CB 3.86Å; F381-A429 HydrophobicContact CE2-CB 4.01Å; F381-A429 HydrophobicContact CG-CB 4.41Å; F381-A429 HydrophobicContact CZ-CB 3.77Å; F381-A429 VanDerWaalsContact CZ-O 3.26Å; F381-A429 WeakPolarHBondContact CZ-O 3.22Å; F399-A429 HydrophobicContact CB-CB 3.46Å; F399-A429 VanDerWaalsContact CB-CB 3.46Å; F399-A429 HydrophobicContact CD1-CB 4.12Å; F399-A429 HydrophobicContact CD2-CB 4.1Å; F399-A429 HydrophobicContact CG-CB 3.63Å; P426-A429 HydrophobicContact CB-CB 4.08Å; P426-A429 WeakPolarHBondContact O-CB 3.37Å; P426-A429 PolarHBondContact O-N 3.24Å; V427-A429 VanDerWaalsContact C-N 3.28Å; V427-A429 PolarHBondContact O-N 3.31Å; A429-L432 PolarHBondContact O-N 2.82Å; A429-T433 PolarHBondContact O-N 3.48Å; A429-T433 PolarHBondContact O-OG1 2.87Å
430R91.8Very high84.9Confident67 Ų6738.1 Ų38.125%0.25320%0.202SC..Hα-helixtrans-58.1-51.6174.6177.4177.761.4-131.56.6111.9D258 F399 P426 V427 L432 T433 E434D258-R430 IonicContact OD2-CZ 3.97Å; D258-R430 IonicContact OD2-NH1 3.72Å; D258-R430 PolarHBondContact OD2-NH1 3.03Å; D258-R430 IonicContact OD2-NH2 3Å; D258-R430 PolarHBondContact OD2-NH2 3.13Å; F399-R430 HydrophobicContact CE2-CB 3.88Å; F399-R430 HydrophobicContact CZ-CB 3.95Å; F399-R430 HydrophobicContact CZ-CG 4.41Å; P426-R430 PolarHBondContact O-N 3.33Å; V427-R430 PolarHBondContact O-N 3.09Å; R430-L432 VanDerWaalsContact C-N 3.28Å; R430-L432 PolarHBondContact O-N 3.09Å; R430-T433 PolarHBondContact O-N 3.36Å; R430-E434 VanDerWaalsContact CG-OE1 3.23Å; R430-E434 WeakPolarHBondContact CG-OE1 3.5Å; R430-E434 WeakPolarHBondContact O-CG 3.44Å; R430-E434 PolarHBondContact O-N 3.02Å
431I88.1Confident82.1Confident45 Ų4541.8 Ų41.823%0.23123%0.233CC..Hα-helixtrans-57.6-45.3179.4-67.7168.9000110.2L251 I254 V427 E434 M435L251-I431 HydrophobicContact CD1-CG2 4.44Å; L251-I431 HydrophobicContact CD2-CG2 4Å; I254-I431 HydrophobicContact CD1-CD1 3.92Å; V427-I431 HydrophobicContact CG1-CD1 3.77Å; V427-I431 HydrophobicContact CG1-CG1 4.29Å; V427-I431 WeakPolarHBondContact O-CG1 3.35Å; V427-I431 PolarHBondContact O-N 3.02Å; I431-E434 PolarHBondContact O-N 3.25Å; I431-M435 HydrophobicContact CG2-CG 4.26Å; I431-M435 HydrophobicContact CG2-SD 3.74Å; I431-M435 WeakPolarHBondContact O-CB 2.75Å; I431-M435 WeakPolarHBondContact O-CG 3.33Å; I431-M435 PolarHBondContact O-N 3.03Å
432L87.6Confident79.6Confident3 Ų352.9 Ų52.92%0.01628%0.275CS..Hα-helixtrans-65-41179.2-71.9172.4000112.5L244 L251 L378 F381 L382 L385 V428 A429 R430 M435 F436L244-L432 HydrophobicContact CD2-CD1 4.12Å; L244-L432 HydrophobicContact CD2-CD2 3.68Å; L244-L432 HydrophobicContact CG-CD2 4.33Å; L251-L432 HydrophobicContact CD1-CD2 4.08Å; L378-L432 HydrophobicContact CD1-CD1 4.19Å; F381-L432 HydrophobicContact CE1-CB 3.97Å; F381-L432 HydrophobicContact CE1-CD1 4.12Å; F381-L432 HydrophobicContact CZ-CB 4.42Å; L382-L432 HydrophobicContact CD2-CD1 3.63Å; L385-L432 HydrophobicContact CD2-CB 3.92Å; V428-L432 HydrophobicContact CG2-CD1 3.94Å; V428-L432 HydrophobicContact CG2-CG 4.44Å; V428-L432 WeakPolarHBondContact O-CB 3.45Å; V428-L432 WeakPolarHBondContact O-CD1 3.4Å; V428-L432 WeakPolarHBondContact O-CG 3.48Å; V428-L432 PolarHBondContact O-N 3Å; A429-L432 PolarHBondContact O-N 2.82Å; R430-L432 VanDerWaalsContact C-N 3.28Å; R430-L432 PolarHBondContact O-N 3.09Å; L432-M435 HydrophobicContact CD2-SD 4.48Å; L432-M435 PolarHBondContact O-N 3.49Å; L432-F436 HydrophobicContact CD2-CE2 4.4Å; L432-F436 WeakPolarHBondContact O-CB 3.21Å; L432-F436 WeakPolarHBondContact O-CD2 3.43Å; L432-F436 PolarHBondContact O-N 3.31Å
433T88.6Confident76.8Confident16 Ų1657 Ų5710%0.09830%0.304CS..Hα-helixtrans-60.1-48.4173.1-63.80000111.1F381 P396 F399 A429 R430 M435 F436 S437F381-T433 WeakPolarHBondContact CZ-OG1 3.2Å; P396-T433 HydrophobicContact CB-CG2 3.86Å; P396-T433 HydrophobicContact CG-CG2 4.29Å; F399-T433 HydrophobicContact CE1-CG2 4.37Å; F399-T433 WeakPolarHBondContact CE1-OG1 3.26Å; A429-T433 PolarHBondContact O-N 3.48Å; A429-T433 PolarHBondContact O-OG1 2.87Å; R430-T433 PolarHBondContact O-N 3.36Å; T433-M435 VanDerWaalsContact C-N 3.34Å; T433-M435 PolarHBondContact O-N 3.07Å; T433-F436 PolarHBondContact O-N 3.46Å; T433-S437 VanDerWaalsContact O-CB 3.27Å; T433-S437 WeakPolarHBondContact O-CB 3.26Å; T433-S437 PolarHBondContact O-N 3.41Å; T433-S437 PolarHBondContact O-OG 3.07Å; T433-S437 VanDerWaalsContact O-OG 3.11Å
434E86.1Confident74.1Confident106 Ų10662.6 Ų62.650%0.49534%0.34SS..Hα-helixtrans-59.3-42.9178.7-71169.3-172.200112.1R430 I431 F436R430-E434 VanDerWaalsContact CG-OE1 3.23Å; R430-E434 WeakPolarHBondContact CG-OE1 3.5Å; R430-E434 WeakPolarHBondContact O-CG 3.44Å; R430-E434 PolarHBondContact O-N 3.02Å; I431-E434 PolarHBondContact O-N 3.25Å; E434-F436 VanDerWaalsContact C-N 3.35Å; E434-F436 PolarHBondContact O-N 3.42Å
435M80.9Confident71.5Confident77 Ų7769.7 Ų69.738%0.37938%0.378SS..Hα-helixtrans-62.6-38.3176.9-73.6175.371.100112.9L251 I431 L432 T433L251-M435 HydrophobicContact CD1-CE 4.08Å; L251-M435 HydrophobicContact CD1-SD 3.59Å; L251-M435 VanDerWaalsContact CD1-SD 3.59Å; I431-M435 HydrophobicContact CG2-CG 4.26Å; I431-M435 HydrophobicContact CG2-SD 3.74Å; I431-M435 WeakPolarHBondContact O-CB 2.75Å; I431-M435 WeakPolarHBondContact O-CG 3.33Å; I431-M435 PolarHBondContact O-N 3.03Å; L432-M435 HydrophobicContact CD2-SD 4.48Å; L432-M435 PolarHBondContact O-N 3.49Å; T433-M435 VanDerWaalsContact C-N 3.34Å; T433-M435 PolarHBondContact O-N 3.07Å
436F76.6Confident68.7Low44 Ų4473.9 Ų73.919%0.19341%0.407CS..Hα-helixtrans-92.8-18.3-173.9-80.1-107.8000113.8L244 L385 Q389 L432 T433 E434 G438L244-F436 HydrophobicContact CD1-CE1 3.92Å; L244-F436 HydrophobicContact CD1-CE2 3.57Å; L244-F436 HydrophobicContact CD1-CZ 3.22Å; L244-F436 HydrophobicContact CG-CE2 4.25Å; L244-F436 HydrophobicContact CG-CZ 4.03Å; L385-F436 HydrophobicContact CD1-CB 3.96Å; L385-F436 HydrophobicContact CD2-CB 4.04Å; L385-F436 HydrophobicContact CD2-CD1 4.4Å; L385-F436 HydrophobicContact CD2-CD2 3.95Å; L385-F436 HydrophobicContact CD2-CG 3.86Å; L385-F436 HydrophobicContact CG-CB 3.99Å; L385-F436 HydrophobicContact CG-CD1 4.36Å; L385-F436 HydrophobicContact CG-CG 4.09Å; Q389-F436 HydrophobicContact CB-CD1 4.24Å; Q389-F436 VanDerWaalsContact CD-CD1 3.43Å; Q389-F436 HydrophobicContact CG-CD1 4.13Å; Q389-F436 VanDerWaalsContact OE1-CD1 3.27Å; L432-F436 HydrophobicContact CD2-CE2 4.4Å; L432-F436 WeakPolarHBondContact O-CB 3.21Å; L432-F436 WeakPolarHBondContact O-CD2 3.43Å; L432-F436 PolarHBondContact O-N 3.31Å; T433-F436 PolarHBondContact O-N 3.46Å; E434-F436 VanDerWaalsContact C-N 3.35Å; E434-F436 PolarHBondContact O-N 3.42Å; F436-G438 VanDerWaalsContact C-N 3.27Å; F436-G438 PolarHBondContact O-N 2.7Å
437S73.8Confident66.5Low57 Ų5779.4 Ų79.440%0.39944%0.435SS..THydrogen-bonded Turntrans-77.6-3.8176.9-74.90000114.5T433T433-S437 VanDerWaalsContact O-CB 3.27Å; T433-S437 WeakPolarHBondContact O-CB 3.26Å; T433-S437 PolarHBondContact O-N 3.41Å; T433-S437 PolarHBondContact O-OG 3.07Å; T433-S437 VanDerWaalsContact O-OG 3.11Å
438G57.8Low64.4Low52 Ų5289.4 Ų89.454%0.53647%0.472SS..THydrogen-bonded Turntrans83.211.4168.500000116.5F436 L440F436-G438 VanDerWaalsContact C-N 3.27Å; F436-G438 PolarHBondContact O-N 2.7Å; G438-L440 PolarHBondContact O-N 3.32Å
439E48.1Very low63.2Low176 Ų17695 Ų9582%0.82250%0.501SS*.THydrogen-bonded Turntrans-72.1-3.4163.5-77.3-170.8165.900112.8
440L44.1Very low61.4Low90 Ų90103.4 Ų103.447%0.47154%0.54SS..THydrogen-bonded Turntrans-110.853.7168.9-122.278.2000111.4G438 W442G438-L440 PolarHBondContact O-N 3.32Å; L440-W442 PolarHBondContact O-N 2.84Å
441A39.8Very low60.7Low80 Ų80106.4 Ų106.466%0.66156%0.56SS**SBendtrans-56.8121.9141.200000106.1S443A441-S443 VanDerWaalsContact C-N 3.31Å; A441-S443 PolarHBondContact O-N 2.97Å
442W46Very low59.7Low242 Ų242109.2 Ų109.292%0.91758%0.584SS**SBendtrans-61.284.7-170.4-63.75.4000113L440L440-W442 PolarHBondContact O-N 2.84Å
443S40Very low59.3Low86 Ų86116.3 Ų116.360%0.60162%0.622SS**  trans-112.7107.5152.4-66.50000105.9A441 D445A441-S443 VanDerWaalsContact C-N 3.31Å; A441-S443 PolarHBondContact O-N 2.97Å; S443-D445 PolarHBondContact O-N 3.16Å
444T41.1Very low59.1Low144 Ų144119.7 Ų119.788%0.88364%0.644SS**THydrogen-bonded Turntrans-60.517.4178.7460000114.4
445D43.2Very low58.8Low151 Ų151118.4 Ų118.481%0.80764%0.64SS**THydrogen-bonded Turntrans-103-8.2-171.9-135.115.6000112.9S443S443-D445 PolarHBondContact O-N 3.16Å
446S39Very low59.2Low92 Ų92119.9 Ų119.964%0.64365%0.653SS**SBendtrans-97.5-11.1-175-53.10000114.6R448S446-R448 PolarHBondContact O-N 2.9Å; S446-R448 VanDerWaalsContact O-N 3.16Å
447I49.4Very low59.6Low120 Ų120125.2 Ų125.262%0.61568%0.677SS**  trans-84.692.1175.9-55.9176.4000108.5L449I447-L449 VanDerWaalsContact C-N 3.32Å; I447-L449 HydrophobicContact CG2-CD2 3.68Å; I447-L449 HydrophobicContact CG2-CG 4.04Å; I447-L449 PolarHBondContact O-N 3.32Å
448R49.9Very low60.1Low220 Ų220126.3 Ų126.383%0.8368%0.678SS**  trans-75.285170.7-74.1-173.5174.8-159.5-0.9110.3S446 Q450S446-R448 PolarHBondContact O-N 2.9Å; S446-R448 VanDerWaalsContact O-N 3.16Å; R448-Q450 PolarHBondContact O-N 2.96Å
449L62.3Low61.5Low126 Ų126129 Ų12966%0.6668%0.677SS**  trans-59.3119.1169.8-61.2175.6000109.4I447 I451I447-L449 VanDerWaalsContact C-N 3.32Å; I447-L449 HydrophobicContact CG2-CD2 3.68Å; I447-L449 HydrophobicContact CG2-CG 4.04Å; I447-L449 PolarHBondContact O-N 3.32Å; L449-I451 VanDerWaalsContact C-N 3.26Å; L449-I451 HydrophobicContact CB-CD1 3.81Å; L449-I451 HydrophobicContact CB-CG1 4Å; L449-I451 HydrophobicContact CD1-CD1 3.97Å; L449-I451 HydrophobicContact CG-CD1 4.48Å; L449-I451 PolarHBondContact O-N 3.21Å
450Q55.5Low63.4Low177 Ų177124.2 Ų124.283%0.82766%0.659SS**  trans-83.473.4174.1-63.9-63.8-42.600109.1R448R448-Q450 PolarHBondContact O-N 2.96Å
451I76.9Confident65.3Low130 Ų130123.4 Ų123.467%0.66766%0.658SS**PPolyproline II helixtrans-102.3127.8176.6-60.1167.9000107.5L449L449-I451 VanDerWaalsContact C-N 3.26Å; L449-I451 HydrophobicContact CB-CD1 3.81Å; L449-I451 HydrophobicContact CB-CG1 4Å; L449-I451 HydrophobicContact CD1-CD1 3.97Å; L449-I451 HydrophobicContact CG-CD1 4.48Å; L449-I451 PolarHBondContact O-N 3.21Å
452S66.4Low67.6Low105 Ų105124.7 Ų124.773%0.73465%0.65SS**PPolyproline II helixtrans-67156.4175.7-58.80000111.3
453N79.3Confident69.5Low152 Ų152119.9 Ų119.981%0.81364%0.638SS**PPolyproline II helixtrans-61.2133.7171.6-722.6000109.5D455N453-D455 PolarHBondContact O-N 3.37Å
454P84.5Confident71.8Confident86 Ų86122.6 Ų122.656%0.55864%0.639SS**PPolyproline II helixtrans-66136.1-175.626.2-34.1000111.2D458P454-D458 WeakPolarHBondContact CA-OD2 3.48Å; P454-D458 HydrophobicContact CB-CB 3.73Å
455D81.3Confident73.8Confident79 Ų79120.9 Ų120.942%0.42262%0.619SS.*  trans-88.6-177.417180.312.6000111.8N453 K457 D458 Q459N453-D455 PolarHBondContact O-N 3.37Å; D455-K457 PolarHBondContact O-N 2.76Å; D455-K457 VanDerWaalsContact OD1-CA 3.29Å; D455-K457 WeakPolarHBondContact OD1-CA 3.25Å; D455-K457 WeakPolarHBondContact OD1-CB 3.49Å; D455-K457 PolarHBondContact OD1-N 3.48Å; D455-D458 PolarHBondContact N-OD2 3.19Å; D455-D458 PolarHBondContact O-N 2.88Å; D455-D458 PolarHBondContact OD1-N 3.44Å; D455-Q459 WeakPolarHBondContact O-CG 3.27Å; D455-Q459 PolarHBondContact O-N 3.44Å
456V87.4Confident76Confident109 Ų109117.4 Ų117.466%0.66160%0.599SS**Hα-helixtrans-63.4-30.3-179.5-179.70000111.9T460V456-T460 PolarHBondContact O-N 3.27Å; V456-T460 VanDerWaalsContact O-N 3.1Å; V456-T460 PolarHBondContact O-OG1 3.2Å
457K84.9Confident78.1Confident156 Ų156118.5 Ų118.568%0.67860%0.596SS**Hα-helixtrans-73-41.2177.4-57.4176.7178.2175.40110D455 Q459 T460 V461D455-K457 PolarHBondContact O-N 2.76Å; D455-K457 VanDerWaalsContact OD1-CA 3.29Å; D455-K457 WeakPolarHBondContact OD1-CA 3.25Å; D455-K457 WeakPolarHBondContact OD1-CB 3.49Å; D455-K457 PolarHBondContact OD1-N 3.48Å; K457-Q459 VanDerWaalsContact C-N 3.31Å; K457-Q459 PolarHBondContact O-N 3.06Å; K457-T460 WeakPolarHBondContact O-CB 3.27Å; K457-T460 PolarHBondContact O-N 3.33Å; K457-T460 VanDerWaalsContact O-N 3.09Å; K457-V461 WeakPolarHBondContact O-CG2 3.49Å; K457-V461 PolarHBondContact O-N 3.2Å
458D86.3Confident79.4Confident79 Ų79118 Ų11842%0.42259%0.591SS.*Hα-helixtrans-60.9-41.5175.1-61.2-44000111.4P454 D455 T460 V461 E462P454-D458 WeakPolarHBondContact CA-OD2 3.48Å; P454-D458 HydrophobicContact CB-CB 3.73Å; D455-D458 PolarHBondContact N-OD2 3.19Å; D455-D458 PolarHBondContact O-N 2.88Å; D455-D458 PolarHBondContact OD1-N 3.44Å; D458-T460 VanDerWaalsContact C-N 3.31Å; D458-T460 PolarHBondContact O-N 2.87Å; D458-V461 PolarHBondContact O-N 2.62Å; D458-E462 PolarHBondContact O-N 3.14Å
459Q86.4Confident81.1Confident110 Ų110113.4 Ų113.451%0.51457%0.574SS.*Hα-helixtrans-62.3-38.1173.7-68.9176.717.700112.5D455 K457 E462 Q463D455-Q459 WeakPolarHBondContact O-CG 3.27Å; D455-Q459 PolarHBondContact O-N 3.44Å; K457-Q459 VanDerWaalsContact C-N 3.31Å; K457-Q459 PolarHBondContact O-N 3.06Å; Q459-E462 PolarHBondContact O-N 3.46Å; Q459-Q463 WeakPolarHBondContact O-CG 3.17Å; Q459-Q463 PolarHBondContact O-N 3.39Å
460T87.3Confident82.1Confident75 Ų75111.4 Ų111.446%0.4656%0.564SS.*Hα-helixtrans-67.2-40.1177.2-540000111V456 K457 D458 E462 Q463 F464V456-T460 PolarHBondContact O-N 3.27Å; V456-T460 VanDerWaalsContact O-N 3.1Å; V456-T460 PolarHBondContact O-OG1 3.2Å; K457-T460 WeakPolarHBondContact O-CB 3.27Å; K457-T460 PolarHBondContact O-N 3.33Å; K457-T460 VanDerWaalsContact O-N 3.09Å; D458-T460 VanDerWaalsContact C-N 3.31Å; D458-T460 PolarHBondContact O-N 2.87Å; T460-E462 VanDerWaalsContact C-N 3.35Å; T460-Q463 PolarHBondContact O-N 3.15Å; T460-F464 PolarHBondContact O-N 3.38Å
461V85.6Confident83.1Confident73 Ų73107.4 Ų107.444%0.44255%0.548SS..Hα-helixtrans-63.3-41.4175.2169.90000110.9K457 D458 F464 K465K457-V461 WeakPolarHBondContact O-CG2 3.49Å; K457-V461 PolarHBondContact O-N 3.2Å; D458-V461 PolarHBondContact O-N 2.62Å; V461-F464 WeakPolarHBondContact O-CB 3.17Å; V461-F464 PolarHBondContact O-N 3.44Å; V461-F464 VanDerWaalsContact O-N 3.16Å; V461-K465 HydrophobicContact CG1-CD 4.43Å; V461-K465 WeakPolarHBondContact O-CG 2.96Å; V461-K465 PolarHBondContact O-N 2.86Å
462E88.1Confident83Confident107 Ų107106.4 Ų106.450%0.554%0.54SS..Hα-helixtrans-63.5-40.3175.6-74.6-56.1133.600112.6D458 Q459 T460 F464 K465 E466D458-E462 PolarHBondContact O-N 3.14Å; Q459-E462 PolarHBondContact O-N 3.46Å; T460-E462 VanDerWaalsContact C-N 3.35Å; E462-F464 VanDerWaalsContact C-N 3.28Å; E462-F464 PolarHBondContact O-N 3.19Å; E462-K465 PolarHBondContact O-N 3.32Å; E462-K465 IonicContact OE1-NZ 3.62Å; E462-K465 PolarHBondContact OE1-NZ 3.15Å; E462-E466 PolarHBondContact O-N 3.49Å
463Q85.8Confident83.3Confident141 Ų141106.8 Ų106.866%0.65953%0.534SS*.Hα-helixtrans-61.2-38.2172.4-71.4179.7-3.900112.2Q459 T460 E466 L467Q459-Q463 WeakPolarHBondContact O-CG 3.17Å; Q459-Q463 PolarHBondContact O-N 3.39Å; T460-Q463 PolarHBondContact O-N 3.15Å; Q463-E466 PolarHBondContact O-N 3.43Å; Q463-L467 WeakPolarHBondContact O-CB 3.42Å; Q463-L467 PolarHBondContact O-N 3.4Å
464F88.4Confident82.9Confident142 Ų142107.7 Ų107.762%0.62353%0.533SS*.Hα-helixtrans-68.5-41.4178.1-139.6-87000112.1T460 V461 E462 E466 L467 Q468T460-F464 PolarHBondContact O-N 3.38Å; V461-F464 WeakPolarHBondContact O-CB 3.17Å; V461-F464 PolarHBondContact O-N 3.44Å; V461-F464 VanDerWaalsContact O-N 3.16Å; E462-F464 VanDerWaalsContact C-N 3.28Å; E462-F464 PolarHBondContact O-N 3.19Å; F464-E466 VanDerWaalsContact C-N 3.34Å; F464-L467 PolarHBondContact O-N 3.11Å; F464-Q468 WeakPolarHBondContact O-CB 3.09Å; F464-Q468 PolarHBondContact O-N 3.15Å
465K83.1Confident81.8Confident108 Ų108107.5 Ų107.547%0.4753%0.527SS..Hα-helixtrans-61.2-42.6173.8-72.3175.4-175168.60111.4V461 E462 Q468 R469V461-K465 HydrophobicContact CG1-CD 4.43Å; V461-K465 WeakPolarHBondContact O-CG 2.96Å; V461-K465 PolarHBondContact O-N 2.86Å; E462-K465 PolarHBondContact O-N 3.32Å; E462-K465 IonicContact OE1-NZ 3.62Å; E462-K465 PolarHBondContact OE1-NZ 3.15Å; K465-Q468 PolarHBondContact O-N 3.43Å; K465-R469 WeakPolarHBondContact O-CB 3.41Å; K465-R469 PolarHBondContact O-N 2.77Å
466E87.8Confident80.7Confident79 Ų79106 Ų10637%0.36953%0.53SS..Hα-helixtrans-67.1-42177.9-177.156.2-158.400111.6E462 Q463 F464 Q468 R469 L470E462-E466 PolarHBondContact O-N 3.49Å; Q463-E466 PolarHBondContact O-N 3.43Å; F464-E466 VanDerWaalsContact C-N 3.34Å; E466-Q468 VanDerWaalsContact C-N 3.33Å; E466-Q468 PolarHBondContact O-N 2.69Å; E466-R469 WeakPolarHBondContact O-CB 3.49Å; E466-R469 PolarHBondContact O-N 2.99Å; E466-R469 IonicContact OE1-CZ 3.43Å; E466-R469 IonicContact OE1-NE 3.32Å; E466-R469 PolarHBondContact OE1-NE 2.95Å; E466-R469 IonicContact OE1-NH2 2.63Å; E466-R469 PolarHBondContact OE1-NH2 2.7Å; E466-R469 IonicContact OE2-CZ 3.64Å; E466-R469 IonicContact OE2-NE 2.84Å; E466-R469 PolarHBondContact OE2-NE 2.89Å; E466-R469 IonicContact OE2-NH2 3.81Å; E466-L470 HydrophobicContact CG-CD1 4.27Å; E466-L470 WeakPolarHBondContact O-CB 3.23Å; E466-L470 VanDerWaalsContact O-CG 3.3Å; E466-L470 WeakPolarHBondContact O-CG 3.36Å; E466-L470 PolarHBondContact O-N 3.34Å
467L83.1Confident79.1Confident114 Ų114107 Ų10760%0.59754%0.539SS*.Hα-helixtrans-59.9-45.1174.1-166.383.8000111.2Q463 F464 L470 L471Q463-L467 WeakPolarHBondContact O-CB 3.42Å; Q463-L467 PolarHBondContact O-N 3.4Å; F464-L467 PolarHBondContact O-N 3.11Å; L467-L470 PolarHBondContact O-N 3.41Å; L467-L471 VanDerWaalsContact O-CB 3.31Å; L467-L471 WeakPolarHBondContact O-CB 3.42Å; L467-L471 PolarHBondContact O-N 3.36Å
468Q78.3Confident77.6Confident110 Ų110105.6 Ų105.651%0.51454%0.544SS..Hα-helixtrans-62-43.7176.8-175.3177.65.300111.1F464 K465 E466 L470 L471 Q472F464-Q468 WeakPolarHBondContact O-CB 3.09Å; F464-Q468 PolarHBondContact O-N 3.15Å; K465-Q468 PolarHBondContact O-N 3.43Å; E466-Q468 VanDerWaalsContact C-N 3.33Å; E466-Q468 PolarHBondContact O-N 2.69Å; Q468-L470 PolarHBondContact O-N 3.29Å; Q468-L471 PolarHBondContact O-N 3.3Å; Q468-Q472 WeakPolarHBondContact O-CB 3.28Å; Q468-Q472 PolarHBondContact O-N 3.41Å
469R85.1Confident76.1Confident124 Ų124103 Ų10347%0.46854%0.535SS..Hα-helixtrans-60.8-45.2177-169.4-169.675.187.54.7111.8K465 E466 L471 Q472 N473K465-R469 WeakPolarHBondContact O-CB 3.41Å; K465-R469 PolarHBondContact O-N 2.77Å; E466-R469 WeakPolarHBondContact O-CB 3.49Å; E466-R469 PolarHBondContact O-N 2.99Å; E466-R469 IonicContact OE1-CZ 3.43Å; E466-R469 IonicContact OE1-NE 3.32Å; E466-R469 PolarHBondContact OE1-NE 2.95Å; E466-R469 IonicContact OE1-NH2 2.63Å; E466-R469 PolarHBondContact OE1-NH2 2.7Å; E466-R469 IonicContact OE2-CZ 3.64Å; E466-R469 IonicContact OE2-NE 2.84Å; E466-R469 PolarHBondContact OE2-NE 2.89Å; E466-R469 IonicContact OE2-NH2 3.81Å; R469-L471 VanDerWaalsContact C-N 3.35Å; R469-Q472 PolarHBondContact O-N 3.35Å; R469-N473 WeakPolarHBondContact O-CB 3.26Å; R469-N473 PolarHBondContact O-N 2.97Å
470L83.8Confident74.3Confident84 Ų84103.5 Ų103.544%0.4455%0.548SS..Hα-helixtrans-64.5-40.7176.8-70.1172.4000111.6E466 L467 Q468 N473 Q474E466-L470 HydrophobicContact CG-CD1 4.27Å; E466-L470 WeakPolarHBondContact O-CB 3.23Å; E466-L470 VanDerWaalsContact O-CG 3.3Å; E466-L470 WeakPolarHBondContact O-CG 3.36Å; E466-L470 PolarHBondContact O-N 3.34Å; L467-L470 PolarHBondContact O-N 3.41Å; Q468-L470 PolarHBondContact O-N 3.29Å; L470-N473 PolarHBondContact O-N 3.38Å; L470-Q474 WeakPolarHBondContact O-CG 3.33Å; L470-Q474 PolarHBondContact O-N 3.39Å; L470-Q474 VanDerWaalsContact O-N 3.12Å
471L75.9Confident72.5Confident93 Ų93110.4 Ų110.449%0.48757%0.566SS.*Hα-helixtrans-65.4-42.7176.8-163.874.8000111.5L467 Q468 R469 N473 Q474 L475L467-L471 VanDerWaalsContact O-CB 3.31Å; L467-L471 WeakPolarHBondContact O-CB 3.42Å; L467-L471 PolarHBondContact O-N 3.36Å; Q468-L471 PolarHBondContact O-N 3.3Å; R469-L471 VanDerWaalsContact C-N 3.35Å; L471-N473 VanDerWaalsContact C-N 3.33Å; L471-N473 PolarHBondContact O-N 3.3Å; L471-Q474 PolarHBondContact O-N 3.03Å; L471-L475 HydrophobicContact CD1-CD1 4.36Å; L471-L475 HydrophobicContact CD2-CD1 4.49Å; L471-L475 HydrophobicContact CG-CD1 3.9Å; L471-L475 PolarHBondContact O-N 3.46Å
472Q74.7Confident70.6Confident108 Ų108110.3 Ų110.351%0.50557%0.573SS.*Hα-helixtrans-62.8-39.8176-129.682.839.600111.7Q468 R469 Q474 L475Q468-Q472 WeakPolarHBondContact O-CB 3.28Å; Q468-Q472 PolarHBondContact O-N 3.41Å; R469-Q472 PolarHBondContact O-N 3.35Å; Q472-Q474 VanDerWaalsContact C-N 3.33Å; Q472-Q474 PolarHBondContact O-N 3.33Å; Q472-L475 PolarHBondContact O-N 2.93Å
473N72.8Confident68.3Low114 Ų114111.2 Ų111.261%0.6159%0.588SS**Hα-helixtrans-71.1-25.7179.3-78.7-14.9000113.5R469 L470 L471R469-N473 WeakPolarHBondContact O-CB 3.26Å; R469-N473 PolarHBondContact O-N 2.97Å; L470-N473 PolarHBondContact O-N 3.38Å; L471-N473 VanDerWaalsContact C-N 3.33Å; L471-N473 PolarHBondContact O-N 3.3Å
474Q70.3Confident66.2Low171 Ų171109.6 Ų109.680%0.79960%0.598SS**Hα-helixtrans-83.8-25.4177.7-68.7-93.94.200112.8L470 L471 Q472L470-Q474 WeakPolarHBondContact O-CG 3.33Å; L470-Q474 PolarHBondContact O-N 3.39Å; L470-Q474 VanDerWaalsContact O-N 3.12Å; L471-Q474 PolarHBondContact O-N 3.03Å; Q472-Q474 VanDerWaalsContact C-N 3.33Å; Q472-Q474 PolarHBondContact O-N 3.33Å
475L61.3Low63.9Low81 Ų81106 Ų10642%0.42460%0.601SS.*Hα-helixtrans-93.3-11.6-170.3-81162.4000115.8L471 Q472L471-L475 HydrophobicContact CD1-CD1 4.36Å; L471-L475 HydrophobicContact CD2-CD1 4.49Å; L471-L475 HydrophobicContact CG-CD1 3.9Å; L471-L475 PolarHBondContact O-N 3.46Å; Q472-L475 PolarHBondContact O-N 2.93Å
476G58.8Low61.6Low47 Ų47106.2 Ų106.249%0.48562%0.617SS.*THydrogen-bonded Turntrans55.4-171.3-177.100000113.2T478G476-T478 PolarHBondContact O-N 3.43Å
477P53.7Low59.2Low132 Ų132111.2 Ų111.286%0.85765%0.645SS**THydrogen-bonded Turntrans-70.58.9-172.1-11.627000115.2
478T53.6Low57Low126 Ų126114.9 Ų114.977%0.77366%0.659SS**  trans-126.154-177.855.70000110.3G476G476-T478 PolarHBondContact O-N 3.43Å
479G53.6Low54.9Low23 Ų23114 Ų11424%0.23767%0.671CS.*  trans-93.8154167.800000111.5W481 A482G479-W481 PolarHBondContact O-N 2.93Å; G479-A482 PolarHBondContact O-N 3.16Å
480P49.8Very low52.8Low122 Ų122114.1 Ų114.179%0.79269%0.687SS**THydrogen-bonded Turntrans-63.92.2-173.2-17.330000116.1
481W50.1Low50.6Low220 Ų220117 Ų11783%0.83371%0.709SS**THydrogen-bonded Turntrans-118.620.4-176.7-83.5-44.5000114.3G479G479-W481 PolarHBondContact O-N 2.93Å
482A45.2Very low48.8Very low71 Ų71115.5 Ų115.559%0.58772%0.716SS**SBendtrans-61.2131.4161.700000109.1G479 A484G479-A482 PolarHBondContact O-N 3.16Å; A482-A484 PolarHBondContact O-N 2.89Å
483P40.2Very low46.8Very low126 Ų126121.1 Ų121.182%0.81874%0.739SS**  trans-60.7125.8179.223.9-30.4000108.9G485P483-G485 PolarHBondContact O-N 3.22Å
484A40Very low45.2Very low106 Ų106119.9 Ų119.988%0.87674%0.739SS**  trans-59.1104.6-178.300000110.3A482 S486A482-A484 PolarHBondContact O-N 2.89Å; A484-S486 PolarHBondContact O-N 2.95Å
485G40.6Very low43.5Very low67 Ų67120.7 Ų120.769%0.69175%0.745SS**  trans-71.9122.7168.800000110.3P483P483-G485 PolarHBondContact O-N 3.22Å
486S34.3Very low42.2Very low113 Ų113119.5 Ų119.579%0.7975%0.753SS**  trans44102.7143-36.60000117.6A484 E488A484-S486 PolarHBondContact O-N 2.95Å; S486-E488 PolarHBondContact O-N 3.01Å
487L38.8Very low41.3Very low183 Ų183124.1 Ų124.196%0.95877%0.772SS**  trans-57117.2156.2-88.483.9000109.6
488E36Very low40.5Very low191 Ų191127 Ų12789%0.89380%0.795SS**  trans-107.2133.8147.6-76.9-154.2152.100109.6S486S486-E488 PolarHBondContact O-N 3.01Å
489A34Very low39.9Very low93 Ų93127.1 Ų127.177%0.76980%0.796SS**  trans-76.4161.3-17500000112.3
490P41.6Very low39.2Very low125 Ų125132.6 Ų132.681%0.81283%0.826SS**  trans-87.7132.6-164.534-30.4000111.9
491T37.5Very low38.6Very low145 Ų145133.2 Ų133.289%0.8983%0.828SS**  trans-94.9102.815743.30000108.4
492G37.8Very low37.9Very low62 Ų62128.1 Ų128.164%0.63983%0.827SS**  trans-71.4140.4158.200000109.4
493F33.6Very low37.4Very low225 Ų225131.6 Ų131.699%0.98784%0.843SS**  -167.6145.8125.2-108.4-78.8000109.8
494S38.3Very low37.3Very low88 Ų88132 Ų13262%0.61584%0.844SS**  trans-107.7163.1-161.2165.20000112
495M35.7Very low37.1Very low188 Ų188133.9 Ų133.993%0.92684%0.842SS**  trans69.8140.1163.3-76166.7-155.800116.7
496G33.3Very low36.8Very low56 Ų56139 Ų13958%0.57785%0.854SS**  cis160.6168.36.200000109.2
497T40.3Very low37Very low144 Ų144141.2 Ų141.288%0.88386%0.859SS**  trans68.2134.1165.369.60000116.2
498S37Very low36.8Very low194 Ų194137.4 Ų137.4100%1.35785%0.85SS**  cis-147.509.4-78.50000109.7

Retrieved 498 of 498 residues in 1031.6 ms (Link to these results)