A0A077YXS9_TRITR Loading...

Methyltransferase protein 9

AlphaFold DB , UniProt , Accession A0A077YXS9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 286 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.3Very low38.7Very low242 Ų242139.5 Ų139.5100%1.19276%0.757SS**  095.10-75.4169.4170.300107T3M1-T3 PolarHBondContact O-N 3.08Å
2S28.4Very low42.6Very low111 Ų111130 Ų13078%0.77671%0.708SS**  trans-75.2108.4173.957.20000107.4T4S2-T4 VanDerWaalsContact C-N 3.27Å; S2-T4 PolarHBondContact O-N 3.32Å
3T28.5Very low46.2Very low135 Ų135123.4 Ų123.483%0.82868%0.677SS**  trans-65.594.5165.244.60000107.2M1 G5M1-T3 PolarHBondContact O-N 3.08Å; T3-G5 PolarHBondContact O-N 3.13Å
4T29.4Very low49.4Very low121 Ų121122.2 Ų122.274%0.74267%0.67SS**  trans-53.6109.415743.90000106S2 E6S2-T4 VanDerWaalsContact C-N 3.27Å; S2-T4 PolarHBondContact O-N 3.32Å; T4-E6 VanDerWaalsContact C-N 3.34Å; T4-E6 PolarHBondContact O-N 3.18Å
5G27.7Very low52.3Low70 Ų70118.4 Ų118.472%0.72266%0.655SS**  trans-60.7102.7170.100000107.1T3 V7T3-G5 PolarHBondContact O-N 3.13Å; G5-V7 PolarHBondContact O-N 3.45Å
6E27.3Very low55Low174 Ų174112.8 Ų112.881%0.81362%0.621SS**  trans-56108.9160.2-88.1-178.3141.500105.8T4 V8T4-E6 VanDerWaalsContact C-N 3.34Å; T4-E6 PolarHBondContact O-N 3.18Å; E6-V8 PolarHBondContact O-N 3.31Å
7V35Very low57.5Low85 Ų85106.2 Ų106.252%0.51559%0.585SS.*  trans-61.797.8160.9178.10000104.2G5 W9G5-V7 PolarHBondContact O-N 3.45Å; V7-W9 VanDerWaalsContact O-CD1 3.27Å; V7-W9 PolarHBondContact O-N 2.97Å
8V33.7Very low59.7Low116 Ų116103 Ų10370%0.70357%0.571SS**  trans-62107.7177.1175.90000106.4E6 Q10E6-V8 PolarHBondContact O-N 3.31Å; V8-Q10 VanDerWaalsContact C-N 3.29Å; V8-Q10 PolarHBondContact O-N 3.33Å
9W48.7Very low61.7Low176 Ų17698.3 Ų98.367%0.66755%0.546SS*.  trans-6488174.6-61.993.1000108.9V7 K11 E50V7-W9 VanDerWaalsContact O-CD1 3.27Å; V7-W9 PolarHBondContact O-N 2.97Å; W9-K11 PolarHBondContact O-N 3.03Å; W9-E50 WeakPolarHBondContact CH2-OE1 3.38Å; W9-E50 VanDerWaalsContact CZ3-CD 3.47Å; W9-E50 WeakPolarHBondContact CZ3-OE1 3.46Å; W9-E50 WeakPolarHBondContact CZ3-OE2 3.42Å
10Q59.9Low63.4Low126 Ų12696.6 Ų96.659%0.58954%0.535SS*.  trans-78.180.3178.2-146.7170.37.800108.6V8 W16 F273V8-Q10 VanDerWaalsContact C-N 3.29Å; V8-Q10 PolarHBondContact O-N 3.33Å; Q10-W16 HydrophobicContact CG-CZ2 4.41Å; Q10-F273 HydrophobicContact CB-CZ 4.34Å
11K75.3Confident64.9Low179 Ų17994.7 Ų94.778%0.77853%0.526SS*.  trans-58.3146.2169.1-80.8-173.9175.2-177.20109.2W9 S13W9-K11 PolarHBondContact O-N 3.03Å; K11-S13 PolarHBondContact O-N 3.01Å
12C85.7Confident67.9Low25 Ų2589.4 Ų89.417%0.16950%0.503CS..  trans-47.9135171.3-163.30000111W16 C38 L46C12-W16 HydrophobicContact CB-CZ3 4.12Å; C12-C38 HydrophobicContact CB-CB 3.76Å; C12-C38 WeakPolarHBondContact CB-SG 3.43Å; C12-C38 WeakPolarHBondContact SG-CB 3.4Å; C12-C38 CovalentContact SG-SG 2.02Å; C12-C38 PolarHBondContact SG-SG 2.88Å; C12-L46 HydrophobicContact CB-CD1 3.85Å
13S90.2Very high71.1Confident44 Ų4490.1 Ų90.131%0.30849%0.488SS..  trans-122.1136.9-177.5-178.70000110.6K11 S15 W16K11-S13 PolarHBondContact O-N 3.01Å; S13-S15 PolarHBondContact O-N 2.77Å; S13-S15 VanDerWaalsContact O-N 3.14Å; S13-S15 PolarHBondContact OG-N 2.81Å; S13-S15 PolarHBondContact OG-OG 2.79Å; S13-W16 VanDerWaalsContact O-CB 3.28Å; S13-W16 WeakPolarHBondContact O-CB 3.28Å; S13-W16 VanDerWaalsContact O-CG 3.26Å; S13-W16 PolarHBondContact O-N 2.75Å
14D90.3Very high74.3Confident107 Ų10783.8 Ų83.857%0.57245%0.45SS*.G310 helixtrans-59.7-25.5175.1-63.7-30.5000112.4W16 Y17 S18D14-W16 PolarHBondContact O-N 3.3Å; D14-W16 VanDerWaalsContact O-N 3.15Å; D14-Y17 PolarHBondContact O-N 3.33Å; D14-S18 PolarHBondContact O-N 2.87Å
15S93.7Very high77.2Confident65 Ų6584.7 Ų84.746%0.45545%0.45SS..G310 helixtrans-60.3-22.1174.766.80000113.8S13 Y17 S18S13-S15 PolarHBondContact O-N 2.77Å; S13-S15 VanDerWaalsContact O-N 3.14Å; S13-S15 PolarHBondContact OG-N 2.81Å; S13-S15 PolarHBondContact OG-OG 2.79Å; S15-Y17 PolarHBondContact O-N 2.8Å; S15-S18 PolarHBondContact O-OG 3.09Å
16W94.8Very high80.4Confident29 Ų2983.3 Ų83.311%0.1143%0.429CS..G310 helixtrans-68.2-22.2176.8-59-7.7000112.5Q10 C12 S13 D14 L46 P262 F273 M275Q10-W16 HydrophobicContact CG-CZ2 4.41Å; C12-W16 HydrophobicContact CB-CZ3 4.12Å; S13-W16 VanDerWaalsContact O-CB 3.28Å; S13-W16 WeakPolarHBondContact O-CB 3.28Å; S13-W16 VanDerWaalsContact O-CG 3.26Å; S13-W16 PolarHBondContact O-N 2.75Å; D14-W16 PolarHBondContact O-N 3.3Å; D14-W16 VanDerWaalsContact O-N 3.15Å; W16-L46 HydrophobicContact CH2-CD1 4.43Å; W16-L46 HydrophobicContact CZ3-CD1 4.15Å; W16-P262 HydrophobicContact CB-CB 4.27Å; W16-P262 HydrophobicContact CB-CG 4.32Å; W16-P262 HydrophobicContact CE3-CB 4.08Å; W16-P262 HydrophobicContact CE3-CG 4.02Å; W16-F273 HydrophobicContact CH2-CE2 4.23Å; W16-F273 AromaticContact CH2-CZ 3.99Å; W16-F273 HydrophobicContact CH2-CZ 3.99Å; W16-M275 HydrophobicContact CD2-CE 3.29Å; W16-M275 HydrophobicContact CD2-SD 4.04Å; W16-M275 HydrophobicContact CE3-CE 3.41Å; W16-M275 VanDerWaalsContact CE3-CE 3.41Å; W16-M275 HydrophobicContact CG-CE 4.05Å; W16-M275 HydrophobicContact CG-SD 4.18Å; W16-M275 HydrophobicContact CH2-CE 3.27Å; W16-M275 HydrophobicContact CZ2-CE 3.21Å; W16-M275 HydrophobicContact CZ3-CE 3.36Å
17Y97.5Very high83.6Confident0 Ų080.5 Ų80.50%043%0.426CS..THydrogen-bonded Turntrans-107.6-10.3-174.8-56-85.4000113D14 S15 Q35 M36 C38 T42 R260 L261 P262D14-Y17 PolarHBondContact O-N 3.33Å; S15-Y17 PolarHBondContact O-N 2.8Å; Y17-Q35 PolarHBondContact O-NE2 3.43Å; Y17-M36 WeakPolarHBondContact CB-O 3.22Å; Y17-M36 HydrophobicContact CD1-CB 3.64Å; Y17-M36 HydrophobicContact CE1-CB 4.33Å; Y17-M36 HydrophobicContact CG-CB 4.25Å; Y17-C38 HydrophobicContact CE2-CB 4.43Å; Y17-T42 WeakPolarHBondContact OH-CG2 3.2Å; Y17-R260 WeakPolarHBondContact CA-O 3.13Å; Y17-L261 HydrophobicContact CD1-CD2 3.76Å; Y17-L261 HydrophobicContact CE1-CD2 3.65Å; Y17-P262 HydrophobicContact CE1-CG 4Å
18S96.8Very high86.5Confident49 Ų4982 Ų8234%0.34343%0.428SS..  trans-78.3140.6-175.3600000112.7D14 S15 R260D14-S18 PolarHBondContact O-N 2.87Å; S15-S18 PolarHBondContact O-OG 3.09Å; S18-R260 WeakPolarHBondContact O-CD 3.27Å; S18-R260 PolarHBondContact O-NH1 2.73Å
19V97.3Very high89.5Confident14 Ų1477.2 Ų77.29%0.08540%0.398CS..  trans-122.4134.1171.4176.10000108.3V21 L24 F33 F236 E237 F258 R260V19-V21 PolarHBondContact O-N 3.48Å; V19-L24 HydrophobicContact CG1-CD1 4.15Å; V19-L24 HydrophobicContact CG1-CD2 4.27Å; V19-L24 HydrophobicContact CG1-CG 4.34Å; V19-F33 HydrophobicContact CB-CD2 4.23Å; V19-F33 HydrophobicContact CB-CE1 4.17Å; V19-F33 HydrophobicContact CB-CE2 3.84Å; V19-F33 HydrophobicContact CB-CZ 3.8Å; V19-F33 HydrophobicContact CG2-CD2 4.01Å; V19-F33 HydrophobicContact CG2-CE2 3.4Å; V19-F33 HydrophobicContact CG2-CZ 3.74Å; V19-F236 HydrophobicContact CG2-CD1 4.31Å; V19-F236 HydrophobicContact CG2-CE1 3.9Å; V19-E237 WeakPolarHBondContact CA-OE1 3.31Å; V19-E237 HydrophobicContact CG1-CG 3.86Å; V19-F258 HydrophobicContact CG1-CE2 4.37Å; V19-F258 HydrophobicContact CG2-CE2 4.37Å; V19-R260 HydrophobicContact CG2-CB 3.63Å
20D96.6Very high91.8Very high63 Ų6370.2 Ų70.234%0.33738%0.378SS..  trans-7588.9171.7-174.1-24000109.1D22 R23 L24 E237D20-D22 PolarHBondContact O-N 2.87Å; D20-D22 PolarHBondContact OD1-N 3.28Å; D20-R23 HydrophobicContact CB-CB 4.13Å; D20-R23 HydrophobicContact CB-CG 4.16Å; D20-R23 VanDerWaalsContact CG-CG 3.48Å; D20-R23 PolarHBondContact O-N 3.49Å; D20-R23 VanDerWaalsContact O-N 3.11Å; D20-R23 PolarHBondContact OD1-N 3.26Å; D20-R23 VanDerWaalsContact OD1-N 3.13Å; D20-R23 WeakPolarHBondContact OD2-CD 3.12Å; D20-R23 VanDerWaalsContact OD2-CG 3.31Å; D20-R23 WeakPolarHBondContact OD2-CG 3.42Å; D20-R23 IonicContact OD2-CZ 3.93Å; D20-R23 IonicContact OD2-NE 2.85Å; D20-R23 PolarHBondContact OD2-NE 3.15Å; D20-L24 PolarHBondContact O-N 3.36Å; D20-E237 HydrophobicContact CB-CG 4.1Å; D20-E237 PolarHBondContact N-OE1 3.14Å; D20-E237 WeakPolarHBondContact O-CG 3.4Å
21V94.8Very high93.6Very high57 Ų5768.8 Ų68.835%0.34538%0.382SS..THydrogen-bonded Turntrans-60.9-26.2-175.8-67.10000113.3V19 L24 A30 F33V19-V21 PolarHBondContact O-N 3.48Å; V21-L24 HydrophobicContact CB-CD1 4.43Å; V21-L24 HydrophobicContact CG1-CD1 4.39Å; V21-L24 WeakPolarHBondContact O-CB 3.33Å; V21-L24 PolarHBondContact O-N 2.64Å; V21-A30 HydrophobicContact CB-CB 4.24Å; V21-F33 HydrophobicContact CG1-CD1 3.94Å
22D93.8Very high94.7Very high132 Ų13263.1 Ų63.171%0.70636%0.355SS*.THydrogen-bonded Turntrans-71.7-39.6177.2-67-34.2000110.6D20 L24 N25D20-D22 PolarHBondContact O-N 2.87Å; D20-D22 PolarHBondContact OD1-N 3.28Å; D22-L24 PolarHBondContact O-N 3.34Å; D22-N25 PolarHBondContact O-N 3.1Å; D22-N25 VanDerWaalsContact O-N 3.09Å; D22-N25 PolarHBondContact O-OD1 3.04Å
23R95.7Very high95.2Very high125 Ų12563.6 Ų63.647%0.47235%0.354SS..THydrogen-bonded Turntrans-64.6-17.7173.9-75.8-177.8-163.8-132.6-2114D20 N25 E237 K241D20-R23 HydrophobicContact CB-CB 4.13Å; D20-R23 HydrophobicContact CB-CG 4.16Å; D20-R23 VanDerWaalsContact CG-CG 3.48Å; D20-R23 PolarHBondContact O-N 3.49Å; D20-R23 VanDerWaalsContact O-N 3.11Å; D20-R23 PolarHBondContact OD1-N 3.26Å; D20-R23 VanDerWaalsContact OD1-N 3.13Å; D20-R23 WeakPolarHBondContact OD2-CD 3.12Å; D20-R23 VanDerWaalsContact OD2-CG 3.31Å; D20-R23 WeakPolarHBondContact OD2-CG 3.42Å; D20-R23 IonicContact OD2-CZ 3.93Å; D20-R23 IonicContact OD2-NE 2.85Å; D20-R23 PolarHBondContact OD2-NE 3.15Å; R23-N25 PolarHBondContact O-N 3.13Å; R23-N25 PolarHBondContact O-ND2 3.34Å; R23-E237 HydrophobicContact CB-CB 3.94Å; R23-E237 HydrophobicContact CB-CG 4.04Å; R23-K241 PolarHBondContact O-NZ 2.93Å
24L95.3Very high95.6Very high2 Ų263 Ų631%0.0135%0.349CS..THydrogen-bonded Turntrans-64.3-23.9173.8-61.6173.5000111.9V19 D20 V21 D22 S26 L29 A30 E237 L240 K241 F258V19-L24 HydrophobicContact CG1-CD1 4.15Å; V19-L24 HydrophobicContact CG1-CD2 4.27Å; V19-L24 HydrophobicContact CG1-CG 4.34Å; D20-L24 PolarHBondContact O-N 3.36Å; V21-L24 HydrophobicContact CB-CD1 4.43Å; V21-L24 HydrophobicContact CG1-CD1 4.39Å; V21-L24 WeakPolarHBondContact O-CB 3.33Å; V21-L24 PolarHBondContact O-N 2.64Å; D22-L24 PolarHBondContact O-N 3.34Å; L24-S26 PolarHBondContact O-N 3.17Å; L24-L29 HydrophobicContact CD1-CG 4.41Å; L24-L29 HydrophobicContact CD2-CD2 4.11Å; L24-A30 HydrophobicContact CD1-CB 4.2Å; L24-E237 HydrophobicContact CD2-CB 3.98Å; L24-E237 HydrophobicContact CD2-CG 4.04Å; L24-E237 HydrophobicContact CG-CG 4.47Å; L24-L240 HydrophobicContact CD2-CD2 4.19Å; L24-K241 HydrophobicContact CD2-CG 4.49Å; L24-K241 WeakPolarHBondContact O-CD 3.28Å; L24-F258 HydrophobicContact CD1-CZ 3.88Å
25N91.5Very high95.9Very high140 Ų14063.1 Ų63.175%0.74935%0.346SS*.  trans47.929.8-179.8-68-48.7000113.6D22 R23D22-N25 PolarHBondContact O-N 3.1Å; D22-N25 VanDerWaalsContact O-N 3.09Å; D22-N25 PolarHBondContact O-OD1 3.04Å; R23-N25 PolarHBondContact O-N 3.13Å; R23-N25 PolarHBondContact O-ND2 3.34Å
26S94.6Very high96.1Very high42 Ų4260.7 Ų60.729%0.29433%0.328SS..  trans-148.9102.8-177.7173.40000108.7L24 E28 L29 A30L24-S26 PolarHBondContact O-N 3.17Å; S26-E28 PolarHBondContact O-N 2.95Å; S26-L29 PolarHBondContact O-N 3.3Å; S26-L29 WeakPolarHBondContact OG-CB 3.33Å; S26-L29 PolarHBondContact OG-N 3.38Å; S26-A30 WeakPolarHBondContact O-CB 3.44Å; S26-A30 PolarHBondContact O-N 3.43Å
27P95Very high96.2Very high115 Ų11562.3 Ų62.375%0.74734%0.344SS*.Hα-helixtrans-59.4-35.2179-25.234.5000112.6S31P27-S31 WeakPolarHBondContact O-CB 3.16Å; P27-S31 PolarHBondContact O-N 3.29Å
28E95.4Very high96.1Very high116 Ų11663.7 Ų63.754%0.54235%0.353SS..Hα-helixtrans-62.8-50.1176.1-175.6-175.3169.300110.8S26 S31 R32S26-E28 PolarHBondContact O-N 2.95Å; E28-S31 PolarHBondContact O-N 2.97Å; E28-S31 PolarHBondContact O-OG 2.83Å; E28-R32 WeakPolarHBondContact O-CG 3.34Å; E28-R32 IonicContact OE1-CZ 3.2Å; E28-R32 VanDerWaalsContact OE1-CZ 3.27Å; E28-R32 IonicContact OE1-NH1 3.27Å; E28-R32 PolarHBondContact OE1-NH1 3.21Å; E28-R32 IonicContact OE1-NH2 3.93Å; E28-R32 PolarHBondContact OE1-NH2 3Å
29L97Very high95.9Very high16 Ų1662.9 Ų62.98%0.08435%0.345CS..Hα-helixtrans-65.4-46.1178.4-176.459.8000110.4L24 S26 S31 R32 K241 I244 V255 F258L24-L29 HydrophobicContact CD1-CG 4.41Å; L24-L29 HydrophobicContact CD2-CD2 4.11Å; S26-L29 PolarHBondContact O-N 3.3Å; S26-L29 WeakPolarHBondContact OG-CB 3.33Å; S26-L29 PolarHBondContact OG-N 3.38Å; L29-S31 PolarHBondContact O-N 3.25Å; L29-R32 WeakPolarHBondContact O-CA 3.35Å; L29-R32 WeakPolarHBondContact O-CB 3.48Å; L29-R32 PolarHBondContact O-N 3.44Å; L29-K241 HydrophobicContact CD2-CG 4.22Å; L29-I244 HydrophobicContact CD1-CD1 3.85Å; L29-I244 HydrophobicContact CD2-CD1 3.77Å; L29-I244 HydrophobicContact CG-CD1 4.5Å; L29-V255 HydrophobicContact CD1-CB 4.46Å; L29-V255 HydrophobicContact CD1-CG1 4.34Å; L29-F258 HydrophobicContact CD1-CD1 3.89Å; L29-F258 HydrophobicContact CD1-CE1 3.73Å; L29-F258 HydrophobicContact CD1-CZ 4.49Å; L29-F258 HydrophobicContact CG-CE1 4Å; L29-F258 HydrophobicContact CG-CZ 4.43Å; L29-F258 VanDerWaalsContact O-CE1 3.3Å; L29-F258 WeakPolarHBondContact O-CE1 3.32Å
30A97.4Very high95.8Very high29 Ų2966.2 Ų66.224%0.2437%0.374CS..Hα-helixtrans-55.3-37.9178.100000112.6V21 L24 S26 R32 F33V21-A30 HydrophobicContact CB-CB 4.24Å; L24-A30 HydrophobicContact CD1-CB 4.2Å; S26-A30 WeakPolarHBondContact O-CB 3.44Å; S26-A30 PolarHBondContact O-N 3.43Å; A30-R32 PolarHBondContact O-N 3.09Å; A30-F33 WeakPolarHBondContact O-CB 3.4Å; A30-F33 PolarHBondContact O-N 3.13Å
31S97.1Very high95.8Very high96 Ų9665.6 Ų65.667%0.67137%0.369SS*.Hα-helixtrans-66.2-18177.277.20000114.4P27 E28 L29P27-S31 WeakPolarHBondContact O-CB 3.16Å; P27-S31 PolarHBondContact O-N 3.29Å; E28-S31 PolarHBondContact O-N 2.97Å; E28-S31 PolarHBondContact O-OG 2.83Å; L29-S31 PolarHBondContact O-N 3.25Å
32R97.4Very high95.7Very high60 Ų6062.9 Ų62.923%0.22635%0.352CS..THydrogen-bonded Turntrans-93-4-180-64.1179.8173.7159.611.5113.2E28 L29 A30 V255 E256 R257 F258E28-R32 WeakPolarHBondContact O-CG 3.34Å; E28-R32 IonicContact OE1-CZ 3.2Å; E28-R32 VanDerWaalsContact OE1-CZ 3.27Å; E28-R32 IonicContact OE1-NH1 3.27Å; E28-R32 PolarHBondContact OE1-NH1 3.21Å; E28-R32 IonicContact OE1-NH2 3.93Å; E28-R32 PolarHBondContact OE1-NH2 3Å; L29-R32 WeakPolarHBondContact O-CA 3.35Å; L29-R32 WeakPolarHBondContact O-CB 3.48Å; L29-R32 PolarHBondContact O-N 3.44Å; A30-R32 PolarHBondContact O-N 3.09Å; R32-V255 WeakPolarHBondContact CD-O 3.43Å; R32-V255 PolarHBondContact NE-O 3.04Å; R32-V255 PolarHBondContact NH1-O 3.34Å; R32-E256 WeakPolarHBondContact CB-O 3.49Å; R32-E256 WeakPolarHBondContact CD-O 3.41Å; R32-E256 VanDerWaalsContact CG-O 3.3Å; R32-E256 WeakPolarHBondContact CG-O 3.34Å; R32-R257 CarbonylContact O-C 3.55Å; R32-R257 WeakPolarHBondContact O-CA 3.41Å; R32-F258 HydrophobicContact CB-CD1 4.21Å; R32-F258 HydrophobicContact CB-CE1 4.44Å; R32-F258 PolarHBondContact O-N 2.9Å
33F98.2Very high95.7Very high34 Ų3460.7 Ų60.715%0.14934%0.34CS..BIsolated β-bridgetrans-72130.4178178.7-125.6000111.1V19 V21 A30 Q35 F258V19-F33 HydrophobicContact CB-CD2 4.23Å; V19-F33 HydrophobicContact CB-CE1 4.17Å; V19-F33 HydrophobicContact CB-CE2 3.84Å; V19-F33 HydrophobicContact CB-CZ 3.8Å; V19-F33 HydrophobicContact CG2-CD2 4.01Å; V19-F33 HydrophobicContact CG2-CE2 3.4Å; V19-F33 HydrophobicContact CG2-CZ 3.74Å; V21-F33 HydrophobicContact CG1-CD1 3.94Å; A30-F33 WeakPolarHBondContact O-CB 3.4Å; A30-F33 PolarHBondContact O-N 3.13Å; F33-Q35 HydrophobicContact CE1-CB 3.93Å; F33-Q35 VanDerWaalsContact CE1-OE1 3.22Å; F33-Q35 HydrophobicContact CZ-CB 4.27Å; F33-F258 CarbonylContact C-O 3.52Å; F33-F258 WeakPolarHBondContact CA-O 3.22Å; F33-F258 HydrophobicContact CB-CD1 4.47Å; F33-F258 HydrophobicContact CB-CE1 3.64Å; F33-F258 HydrophobicContact CB-CE2 4.34Å; F33-F258 HydrophobicContact CB-CZ 3.58Å; F33-F258 HydrophobicContact CD2-CD2 4.17Å; F33-F258 HydrophobicContact CD2-CE1 4.38Å; F33-F258 AromaticContact CD2-CE2 3.64Å; F33-F258 HydrophobicContact CD2-CE2 3.64Å; F33-F258 AromaticContact CD2-CZ 3.77Å; F33-F258 HydrophobicContact CD2-CZ 3.77Å; F33-F258 HydrophobicContact CE2-CE2 4.45Å; F33-F258 HydrophobicContact CG-CE1 4.47Å; F33-F258 HydrophobicContact CG-CE2 4.33Å; F33-F258 HydrophobicContact CG-CZ 4Å
34V97.8Very high95.6Very high33 Ų3358.5 Ų58.520%0.234%0.344CS..  trans-108.5105.7172.4-172.50000107.9M36 L98 R257 F258 T259V34-M36 HydrophobicContact CB-CE 4.03Å; V34-M36 HydrophobicContact CG1-CE 3.44Å; V34-M36 VanDerWaalsContact CG1-CE 3.44Å; V34-M36 HydrophobicContact CG1-SD 4.2Å; V34-M36 PolarHBondContact O-N 2.64Å; V34-L98 HydrophobicContact CG2-CD1 4.24Å; V34-R257 HydrophobicContact CG2-CB 4.18Å; V34-R257 HydrophobicContact CG2-CG 4.44Å; V34-F258 PolarHBondContact N-O 2.87Å; V34-T259 VanDerWaalsContact O-CB 3.24Å; V34-T259 WeakPolarHBondContact O-CB 3.23Å; V34-T259 PolarHBondContact O-OG1 3.2Å
35Q97.3Very high95.5Very high108 Ų10859.7 Ų59.751%0.50535%0.349SS..  trans-65.6125.6175.2-178.263.160.400109.5Y17 F33Y17-Q35 PolarHBondContact O-NE2 3.43Å; F33-Q35 HydrophobicContact CE1-CB 3.93Å; F33-Q35 VanDerWaalsContact CE1-OE1 3.22Å; F33-Q35 HydrophobicContact CZ-CB 4.27Å
36M97.2Very high95.5Very high14 Ų1453.8 Ų53.87%0.06932%0.318CS..  trans-109.4169.5174.5-61.4-62.9-179.300109.8Y17 V34 Q94 L98 T259 L261Y17-M36 WeakPolarHBondContact CB-O 3.22Å; Y17-M36 HydrophobicContact CD1-CB 3.64Å; Y17-M36 HydrophobicContact CE1-CB 4.33Å; Y17-M36 HydrophobicContact CG-CB 4.25Å; V34-M36 HydrophobicContact CB-CE 4.03Å; V34-M36 HydrophobicContact CG1-CE 3.44Å; V34-M36 VanDerWaalsContact CG1-CE 3.44Å; V34-M36 HydrophobicContact CG1-SD 4.2Å; V34-M36 PolarHBondContact O-N 2.64Å; M36-Q94 HydrophobicContact CB-CG 4.48Å; M36-Q94 VanDerWaalsContact CE-O 3.27Å; M36-Q94 WeakPolarHBondContact CE-O 3.38Å; M36-Q94 HydrophobicContact CG-CG 4.44Å; M36-Q94 HydrophobicContact SD-CB 4.07Å; M36-Q94 HydrophobicContact SD-CG 4Å; M36-L98 HydrophobicContact CE-CB 4.04Å; M36-T259 HydrophobicContact CE-CG2 4.2Å; M36-T259 HydrophobicContact CG-CG2 4.2Å; M36-T259 WeakPolarHBondContact CG-OG1 3.4Å; M36-L261 HydrophobicContact CB-CD2 4.19Å; M36-L261 HydrophobicContact CG-CD2 4.16Å
37S96.2Very high95.3Very high64 Ų6454.5 Ų54.545%0.44833%0.326SS..  trans-141.7174.1174.564.70000109.6Q94S37-Q94 PolarHBondContact O-NE2 2.89Å
38C94.8Very high95Very high28 Ų2852.3 Ų52.319%0.18931%0.308CS..  trans-60.3147.9164.7-142.30000111.3C12 Y17 D43C12-C38 HydrophobicContact CB-CB 3.76Å; C12-C38 WeakPolarHBondContact CB-SG 3.43Å; C12-C38 WeakPolarHBondContact SG-CB 3.4Å; C12-C38 CovalentContact SG-SG 2.02Å; C12-C38 PolarHBondContact SG-SG 2.88Å; Y17-C38 HydrophobicContact CE2-CB 4.43Å; C38-D43 PolarHBondContact SG-OD1 3.12Å; C38-D43 VanDerWaalsContact SG-OD1 3.42Å
39D94.4Very high94.6Very high33 Ų3346.9 Ų46.918%0.17628%0.283CS..  trans-144177.5176.763.823.4000111.6E41 T42 D43 S91 Q94D39-E41 VanDerWaalsContact C-N 3.28Å; D39-E41 PolarHBondContact O-N 2.82Å; D39-E41 PolarHBondContact OD1-N 2.92Å; D39-T42 WeakPolarHBondContact O-CB 3.46Å; D39-T42 PolarHBondContact O-N 3.47Å; D39-T42 VanDerWaalsContact O-N 3.17Å; D39-T42 WeakPolarHBondContact OD1-CB 3.36Å; D39-T42 PolarHBondContact OD1-N 3.5Å; D39-T42 PolarHBondContact OD1-OG1 3.4Å; D39-D43 PolarHBondContact O-N 2.87Å; D39-S91 WeakPolarHBondContact OD2-CB 3.49Å; D39-S91 PolarHBondContact OD2-OG 3.29Å; D39-Q94 WeakPolarHBondContact OD2-CG 3.31Å
40A95Very high94Very high83 Ų8348.4 Ų48.469%0.68629%0.29SS*.Hα-helixtrans-59.7-35.6-173.800000113.5S44A40-S44 VanDerWaalsContact O-CB 3.29Å; A40-S44 WeakPolarHBondContact O-CB 3.28Å; A40-S44 PolarHBondContact O-N 2.95Å
41E95.1Very high93.4Very high51 Ų5154.3 Ų54.324%0.23831%0.31CS..Hα-helixtrans-74.3-38.1178.3-71.8-168.3-133.600111.9D39 S44 F45 F88 S92 R129D39-E41 VanDerWaalsContact C-N 3.28Å; D39-E41 PolarHBondContact O-N 2.82Å; D39-E41 PolarHBondContact OD1-N 2.92Å; E41-S44 PolarHBondContact O-N 2.98Å; E41-F45 WeakPolarHBondContact O-CB 3.41Å; E41-F45 PolarHBondContact O-N 2.94Å; E41-F88 HydrophobicContact CB-CE2 4.32Å; E41-S92 WeakPolarHBondContact OE1-CB 3.39Å; E41-S92 PolarHBondContact OE1-N 2.85Å; E41-S92 PolarHBondContact OE1-OG 3.17Å; E41-R129 IonicContact OE2-CZ 3.36Å; E41-R129 IonicContact OE2-NE 4Å; E41-R129 PolarHBondContact OE2-NE 2.95Å; E41-R129 IonicContact OE2-NH2 3.28Å; E41-R129 PolarHBondContact OE2-NH2 3.14Å
42T94.5Very high92.5Very high0 Ų052 Ų520%029%0.29CS..Hα-helixtrans-61.3-48.8173.7-51.10000110.3Y17 D39 S44 F45 L46 F88 L264Y17-T42 WeakPolarHBondContact OH-CG2 3.2Å; D39-T42 WeakPolarHBondContact O-CB 3.46Å; D39-T42 PolarHBondContact O-N 3.47Å; D39-T42 VanDerWaalsContact O-N 3.17Å; D39-T42 WeakPolarHBondContact OD1-CB 3.36Å; D39-T42 PolarHBondContact OD1-N 3.5Å; D39-T42 PolarHBondContact OD1-OG1 3.4Å; T42-S44 VanDerWaalsContact C-N 3.3Å; T42-S44 PolarHBondContact O-N 3.25Å; T42-F45 PolarHBondContact O-N 2.92Å; T42-L46 HydrophobicContact CG2-CD1 4.3Å; T42-L46 WeakPolarHBondContact O-CG 3.35Å; T42-L46 PolarHBondContact O-N 2.77Å; T42-F88 HydrophobicContact CG2-CE1 4.15Å; T42-F88 WeakPolarHBondContact OG1-CZ 3.37Å; T42-L264 HydrophobicContact CG2-CD1 4.27Å
43D93.9Very high91.4Very high85 Ų8549.7 Ų49.746%0.45528%0.283SS..Hα-helixtrans-60.1-41.5177.1-77.1-25.3000111.5C38 D39 F45 L46 A47C38-D43 PolarHBondContact SG-OD1 3.12Å; C38-D43 VanDerWaalsContact SG-OD1 3.42Å; D39-D43 PolarHBondContact O-N 2.87Å; D43-F45 PolarHBondContact O-N 2.92Å; D43-L46 PolarHBondContact O-N 2.9Å; D43-A47 WeakPolarHBondContact O-CB 3.4Å; D43-A47 PolarHBondContact O-N 3.14Å
44S93.7Very high90.2Very high79 Ų7952.8 Ų52.855%0.55230%0.301SS*.Hα-helixtrans-64.5-38.9177-172.20000112.4A40 E41 T42 N48A40-S44 VanDerWaalsContact O-CB 3.29Å; A40-S44 WeakPolarHBondContact O-CB 3.28Å; A40-S44 PolarHBondContact O-N 2.95Å; E41-S44 PolarHBondContact O-N 2.98Å; T42-S44 VanDerWaalsContact C-N 3.3Å; T42-S44 PolarHBondContact O-N 3.25Å; S44-N48 WeakPolarHBondContact O-CB 3.35Å; S44-N48 PolarHBondContact O-N 2.92Å
45F92.3Very high89Confident27 Ų2753.5 Ų53.512%0.11831%0.308CS..Hα-helixtrans-64.8-46.1175.9-179.2-93.8000111.3E41 T42 D43 A47 N48 C49 A86 F88 L264 E266E41-F45 WeakPolarHBondContact O-CB 3.41Å; E41-F45 PolarHBondContact O-N 2.94Å; T42-F45 PolarHBondContact O-N 2.92Å; D43-F45 PolarHBondContact O-N 2.92Å; F45-A47 PolarHBondContact O-N 3.09Å; F45-N48 PolarHBondContact O-N 2.95Å; F45-C49 WeakPolarHBondContact CE1-SG 3.43Å; F45-C49 PolarHBondContact O-N 3.2Å; F45-C49 PolarHBondContact O-SG 2.84Å; F45-A86 HydrophobicContact CE2-CB 4.37Å; F45-A86 WeakPolarHBondContact CZ-O 3.39Å; F45-F88 HydrophobicContact CB-CD2 3.94Å; F45-F88 HydrophobicContact CB-CE2 4.37Å; F45-F88 HydrophobicContact CB-CG 4.24Å; F45-F88 HydrophobicContact CD1-CB 3.72Å; F45-F88 HydrophobicContact CD1-CG 4.12Å; F45-F88 HydrophobicContact CD2-CB 3.64Å; F45-F88 HydrophobicContact CD2-CD2 4.08Å; F45-F88 HydrophobicContact CD2-CG 4.17Å; F45-F88 HydrophobicContact CE1-CB 3.73Å; F45-F88 HydrophobicContact CE2-CB 3.64Å; F45-F88 HydrophobicContact CG-CB 3.68Å; F45-F88 AromaticContact CG-CD2 3.95Å; F45-F88 HydrophobicContact CG-CD2 3.95Å; F45-F88 AromaticContact CG-CG 3.89Å; F45-F88 HydrophobicContact CG-CG 3.89Å; F45-F88 HydrophobicContact CZ-CB 3.68Å; F45-L264 HydrophobicContact CD1-CB 4.13Å; F45-L264 HydrophobicContact CD1-CD1 4.09Å; F45-L264 HydrophobicContact CE1-CB 3.62Å; F45-L264 HydrophobicContact CE1-CD1 4.42Å; F45-L264 HydrophobicContact CZ-CB 4.49Å; F45-E266 HydrophobicContact CZ-CG 4.24Å
46L91.7Very high87.3Confident17 Ų1754.4 Ų54.49%0.08932%0.315CS..Hα-helixtrans-62.6-42.4178.2-66.8174.8000112C12 W16 T42 D43 N48 C49 E50 L264 F273C12-L46 HydrophobicContact CB-CD1 3.85Å; W16-L46 HydrophobicContact CH2-CD1 4.43Å; W16-L46 HydrophobicContact CZ3-CD1 4.15Å; T42-L46 HydrophobicContact CG2-CD1 4.3Å; T42-L46 WeakPolarHBondContact O-CG 3.35Å; T42-L46 PolarHBondContact O-N 2.77Å; D43-L46 PolarHBondContact O-N 2.9Å; L46-N48 VanDerWaalsContact C-N 3.31Å; L46-N48 PolarHBondContact O-N 3.14Å; L46-C49 WeakPolarHBondContact O-CB 3.43Å; L46-C49 PolarHBondContact O-N 2.86Å; L46-E50 PolarHBondContact O-N 3.38Å; L46-L264 HydrophobicContact CD2-CD1 3.87Å; L46-L264 HydrophobicContact CD2-CD2 4.36Å; L46-L264 HydrophobicContact CG-CD1 4.43Å; L46-F273 HydrophobicContact CD2-CD1 3.7Å; L46-F273 HydrophobicContact CD2-CD2 4.19Å; L46-F273 HydrophobicContact CD2-CE1 3.71Å; L46-F273 HydrophobicContact CD2-CE2 4.19Å; L46-F273 HydrophobicContact CD2-CG 3.95Å; L46-F273 HydrophobicContact CD2-CZ 3.96Å
47A90.9Very high85.3Confident57 Ų5756.2 Ų56.247%0.47134%0.338SS..Hα-helixtrans-63.7-37175.400000112.1D43 F45 K51D43-A47 WeakPolarHBondContact O-CB 3.4Å; D43-A47 PolarHBondContact O-N 3.14Å; F45-A47 PolarHBondContact O-N 3.09Å; A47-K51 WeakPolarHBondContact O-CB 3.45Å; A47-K51 PolarHBondContact O-N 2.93Å
48N88.9Confident83.5Confident68 Ų6855.8 Ų55.836%0.36433%0.33SS..Hα-helixtrans-67.5-43.7175.1-17362.6000112S44 F45 L46 E50 K51 L52S44-N48 WeakPolarHBondContact O-CB 3.35Å; S44-N48 PolarHBondContact O-N 2.92Å; F45-N48 PolarHBondContact O-N 2.95Å; L46-N48 VanDerWaalsContact C-N 3.31Å; L46-N48 PolarHBondContact O-N 3.14Å; N48-E50 VanDerWaalsContact C-N 3.29Å; N48-E50 PolarHBondContact O-N 3.36Å; N48-K51 PolarHBondContact O-N 3.35Å; N48-K51 VanDerWaalsContact O-N 3.14Å; N48-L52 WeakPolarHBondContact ND2-CD1 3.4Å; N48-L52 WeakPolarHBondContact O-CG 3.02Å; N48-L52 PolarHBondContact O-N 3.16Å
49C86.7Confident82Confident2 Ų255 Ų551%0.01432%0.324CS..Hα-helixtrans-54.4-46.8174.7-72.80000111.5F45 L46 L52 S53 N272 F273F45-C49 WeakPolarHBondContact CE1-SG 3.43Å; F45-C49 PolarHBondContact O-N 3.2Å; F45-C49 PolarHBondContact O-SG 2.84Å; L46-C49 WeakPolarHBondContact O-CB 3.43Å; L46-C49 PolarHBondContact O-N 2.86Å; C49-L52 PolarHBondContact O-N 2.98Å; C49-S53 WeakPolarHBondContact O-CB 2.84Å; C49-S53 PolarHBondContact O-N 2.88Å; C49-S53 PolarHBondContact O-OG 3.29Å; C49-N272 WeakPolarHBondContact CB-O 3.3Å; C49-F273 HydrophobicContact CB-CB 4.14Å
50E83.9Confident80.2Confident48 Ų4858.4 Ų58.422%0.22434%0.341CS..Hα-helixtrans-63.8-43.3176.1-175.5-173.1167.500112.6W9 L46 N48 L52 S53 N54W9-E50 WeakPolarHBondContact CH2-OE1 3.38Å; W9-E50 VanDerWaalsContact CZ3-CD 3.47Å; W9-E50 WeakPolarHBondContact CZ3-OE1 3.46Å; W9-E50 WeakPolarHBondContact CZ3-OE2 3.42Å; L46-E50 PolarHBondContact O-N 3.38Å; N48-E50 VanDerWaalsContact C-N 3.29Å; N48-E50 PolarHBondContact O-N 3.36Å; E50-L52 VanDerWaalsContact C-N 3.28Å; E50-L52 PolarHBondContact O-N 2.96Å; E50-S53 WeakPolarHBondContact CA-OG 3.35Å; E50-S53 PolarHBondContact O-N 3.16Å; E50-S53 PolarHBondContact O-OG 3.08Å; E50-N54 WeakPolarHBondContact CG-ND2 3.32Å; E50-N54 WeakPolarHBondContact O-CB 3.11Å; E50-N54 PolarHBondContact O-N 3.39Å; E50-N54 PolarHBondContact O-ND2 3Å
51K84.3Confident78.6Confident154 Ų15461.5 Ų61.567%0.6734%0.335SS*.Hα-helixtrans-60.9-40.7177.7-174.9-177.3176.4-174.10111.4A47 N48 N54 S55A47-K51 WeakPolarHBondContact O-CB 3.45Å; A47-K51 PolarHBondContact O-N 2.93Å; N48-K51 PolarHBondContact O-N 3.35Å; N48-K51 VanDerWaalsContact O-N 3.14Å; K51-N54 PolarHBondContact O-N 3.06Å; K51-S55 WeakPolarHBondContact O-CB 3.32Å; K51-S55 PolarHBondContact O-N 3.37Å; K51-S55 VanDerWaalsContact O-N 3.14Å
52L78.8Confident77.2Confident48 Ų4859.3 Ų59.325%0.25133%0.325SS..Hα-helixtrans-70.4-40.4178.4-69.7170.5000112N48 C49 E50 N54 S55 L58 E266N48-L52 WeakPolarHBondContact ND2-CD1 3.4Å; N48-L52 WeakPolarHBondContact O-CG 3.02Å; N48-L52 PolarHBondContact O-N 3.16Å; C49-L52 PolarHBondContact O-N 2.98Å; E50-L52 VanDerWaalsContact C-N 3.28Å; E50-L52 PolarHBondContact O-N 2.96Å; L52-N54 VanDerWaalsContact C-N 3.27Å; L52-N54 PolarHBondContact O-N 3.36Å; L52-S55 PolarHBondContact O-N 3.08Å; L52-L58 HydrophobicContact CD2-CD2 3.41Å; L52-L58 VanDerWaalsContact CD2-CD2 3.41Å; L52-E266 HydrophobicContact CD1-CG 4.35Å; L52-E266 WeakPolarHBondContact CD1-OE1 2.89Å
53S74.5Confident75.6Confident11 Ų1164 Ų648%0.07735%0.35CS..Hα-helixtrans-69.3-24.3175.669.70000112.9C49 E50 Q59 D268 N272C49-S53 WeakPolarHBondContact O-CB 2.84Å; C49-S53 PolarHBondContact O-N 2.88Å; C49-S53 PolarHBondContact O-OG 3.29Å; E50-S53 WeakPolarHBondContact CA-OG 3.35Å; E50-S53 PolarHBondContact O-N 3.16Å; E50-S53 PolarHBondContact O-OG 3.08Å; S53-Q59 VanDerWaalsContact C-NE2 3.31Å; S53-Q59 PolarHBondContact O-NE2 2.87Å; S53-D268 WeakPolarHBondContact CB-O 3.37Å; S53-N272 WeakPolarHBondContact CB-OD1 3.2Å; S53-N272 PolarHBondContact OG-OD1 2.95Å
54N72.9Confident73.9Confident99 Ų9965.8 Ų65.853%0.52936%0.358SS..THydrogen-bonded Turntrans-90.4-7174.1-72.4-35.9000113.5E50 K51 L52 L56E50-N54 WeakPolarHBondContact CG-ND2 3.32Å; E50-N54 WeakPolarHBondContact O-CB 3.11Å; E50-N54 PolarHBondContact O-N 3.39Å; E50-N54 PolarHBondContact O-ND2 3Å; K51-N54 PolarHBondContact O-N 3.06Å; L52-N54 VanDerWaalsContact C-N 3.27Å; L52-N54 PolarHBondContact O-N 3.36Å; N54-L56 PolarHBondContact O-N 2.96Å
55S72.2Confident71.9Confident48 Ų4862.9 Ų62.934%0.33634%0.338SS..  trans-8086.8-179.6-173.80000111.7K51 L52 G57 L58 Q59K51-S55 WeakPolarHBondContact O-CB 3.32Å; K51-S55 PolarHBondContact O-N 3.37Å; K51-S55 VanDerWaalsContact O-N 3.14Å; L52-S55 PolarHBondContact O-N 3.08Å; S55-G57 PolarHBondContact O-N 2.9Å; S55-L58 PolarHBondContact O-N 3.04Å; S55-L58 VanDerWaalsContact O-N 3.15Å; S55-L58 WeakPolarHBondContact OG-CB 3.38Å; S55-Q59 WeakPolarHBondContact O-CG 3.3Å; S55-Q59 PolarHBondContact O-N 3.44Å
56L61.7Low70.6Confident126 Ų12662.8 Ų62.866%0.6634%0.338SS*.Hα-helixtrans-53.5-39.9178.6-71.6171.6000113N54 Q59 L60N54-L56 PolarHBondContact O-N 2.96Å; L56-Q59 PolarHBondContact O-N 2.93Å; L56-L60 WeakPolarHBondContact O-CB 3.49Å; L56-L60 WeakPolarHBondContact O-CD1 3.34Å; L56-L60 WeakPolarHBondContact O-CG 3.4Å; L56-L60 PolarHBondContact O-N 3.35Å
57G54.7Low69Low53 Ų5365.5 Ų65.555%0.54636%0.357SS..Hα-helixtrans-65.8-42.3179.600000112.7S55 L60 W61S55-G57 PolarHBondContact O-N 2.9Å; G57-L60 PolarHBondContact O-N 3.01Å; G57-W61 WeakPolarHBondContact O-CB 3.49Å; G57-W61 PolarHBondContact O-N 3.46Å
58L59.4Low67Low55 Ų5566.7 Ų66.729%0.28836%0.359SS..Hα-helixtrans-67.9-38.3175.7-172.972.7000111.1L52 S55 W61 H62L52-L58 HydrophobicContact CD2-CD2 3.41Å; L52-L58 VanDerWaalsContact CD2-CD2 3.41Å; S55-L58 PolarHBondContact O-N 3.04Å; S55-L58 VanDerWaalsContact O-N 3.15Å; S55-L58 WeakPolarHBondContact OG-CB 3.38Å; L58-W61 WeakPolarHBondContact O-CB 3.46Å; L58-W61 PolarHBondContact O-N 3.37Å; L58-H62 VanDerWaalsContact CG-CE1 3.46Å; L58-H62 WeakPolarHBondContact CG-CE1 3.35Å; L58-H62 WeakPolarHBondContact O-CB 3.24Å; L58-H62 PolarHBondContact O-N 2.84Å; L58-H62 PolarHBondContact O-ND1 2.97Å
59Q62.7Low65Low11 Ų1164.8 Ų64.85%0.05135%0.348CS..Hα-helixtrans-66.6-43176-71.8-174.5-7.100112.6S53 S55 L56 W61 H62 L63 M269S53-Q59 VanDerWaalsContact C-NE2 3.31Å; S53-Q59 PolarHBondContact O-NE2 2.87Å; S55-Q59 WeakPolarHBondContact O-CG 3.3Å; S55-Q59 PolarHBondContact O-N 3.44Å; L56-Q59 PolarHBondContact O-N 2.93Å; Q59-W61 VanDerWaalsContact C-N 3.32Å; Q59-W61 PolarHBondContact O-N 2.81Å; Q59-H62 PolarHBondContact O-N 2.74Å; Q59-L63 WeakPolarHBondContact O-CB 3.4Å; Q59-L63 VanDerWaalsContact O-CG 3.27Å; Q59-L63 WeakPolarHBondContact O-CG 3.49Å; Q59-L63 PolarHBondContact O-N 2.93Å; Q59-M269 HydrophobicContact CB-CG 4.29Å; Q59-M269 HydrophobicContact CB-SD 3.75Å; Q59-M269 HydrophobicContact CG-CG 3.99Å; Q59-M269 HydrophobicContact CG-SD 4.1Å; Q59-M269 PolarHBondContact OE1-SD 3.26Å
60L56.8Low63.9Low105 Ų10572 Ų7255%0.5538%0.375SS..Hα-helixtrans-60.1-43.3172.9-82.9158.9000111.2L56 G57 H62 L63 L64L56-L60 WeakPolarHBondContact O-CB 3.49Å; L56-L60 WeakPolarHBondContact O-CD1 3.34Å; L56-L60 WeakPolarHBondContact O-CG 3.4Å; L56-L60 PolarHBondContact O-N 3.35Å; G57-L60 PolarHBondContact O-N 3.01Å; L60-H62 PolarHBondContact O-N 2.83Å; L60-L63 PolarHBondContact O-N 3.35Å; L60-L64 VanDerWaalsContact O-CG 3.3Å; L60-L64 WeakPolarHBondContact O-CG 3.13Å; L60-L64 PolarHBondContact O-N 2.88Å; L60-L64 VanDerWaalsContact O-N 3.08Å
61W61.4Low62.3Low147 Ų14775.8 Ų75.856%0.55740%0.395SS*.Hα-helixtrans-58.7-47.7173.5176.3-110.2000111.9G57 L58 Q59 L63 L64 C65G57-W61 WeakPolarHBondContact O-CB 3.49Å; G57-W61 PolarHBondContact O-N 3.46Å; L58-W61 WeakPolarHBondContact O-CB 3.46Å; L58-W61 PolarHBondContact O-N 3.37Å; Q59-W61 VanDerWaalsContact C-N 3.32Å; Q59-W61 PolarHBondContact O-N 2.81Å; W61-L63 PolarHBondContact O-N 3.08Å; W61-L64 PolarHBondContact O-N 3.41Å; W61-L64 VanDerWaalsContact O-N 3.17Å; W61-C65 VanDerWaalsContact CD2-SG 3.58Å; W61-C65 WeakPolarHBondContact CZ2-SG 3.3Å; W61-C65 WeakPolarHBondContact O-CB 3.44Å; W61-C65 PolarHBondContact O-N 2.97Å; W61-C65 PolarHBondContact O-SG 2.65Å; W61-C65 VanDerWaalsContact O-SG 3.4Å
62H65.7Low60.4Low6 Ų675.4 Ų75.43%0.02839%0.394CS..Hα-helixtrans-64-39.5177.4-68.5151000113.2L58 Q59 L60 L64 C65 I66 R84L58-H62 VanDerWaalsContact CG-CE1 3.46Å; L58-H62 WeakPolarHBondContact CG-CE1 3.35Å; L58-H62 WeakPolarHBondContact O-CB 3.24Å; L58-H62 PolarHBondContact O-N 2.84Å; L58-H62 PolarHBondContact O-ND1 2.97Å; Q59-H62 PolarHBondContact O-N 2.74Å; L60-H62 PolarHBondContact O-N 2.83Å; H62-L64 PolarHBondContact O-N 2.77Å; H62-C65 PolarHBondContact O-N 2.7Å; H62-I66 HydrophobicContact CB-CD1 4Å; H62-I66 HydrophobicContact CB-CG1 4.5Å; H62-I66 VanDerWaalsContact O-CB 3.3Å; H62-I66 WeakPolarHBondContact O-CB 3.36Å; H62-I66 VanDerWaalsContact O-CG1 3.23Å; H62-I66 WeakPolarHBondContact O-CG1 3.31Å; H62-I66 PolarHBondContact O-N 3.36Å; H62-R84 VanDerWaalsContact CE1-CD 3.4Å; H62-R84 WeakPolarHBondContact CE1-CD 3Å; H62-R84 PolarHBondContact CE1-NE 2.79Å; H62-R84 PolarHBondContact ND1-NE 2.75Å; H62-R84 PolarHBondContact ND1-NH1 3.33Å; H62-R84 VanDerWaalsContact ND1-NH1 3.14Å
63L59.8Low58.9Low99 Ų9977.5 Ų77.552%0.51840%0.399SS..Hα-helixtrans-61.3-32.4175.3-75.2169.2000111.9Q59 L60 W61 P67 M269Q59-L63 WeakPolarHBondContact O-CB 3.4Å; Q59-L63 VanDerWaalsContact O-CG 3.27Å; Q59-L63 WeakPolarHBondContact O-CG 3.49Å; Q59-L63 PolarHBondContact O-N 2.93Å; L60-L63 PolarHBondContact O-N 3.35Å; W61-L63 PolarHBondContact O-N 3.08Å; L63-P67 WeakPolarHBondContact O-CD 3.49Å; L63-P67 VanDerWaalsContact O-CG 3.31Å; L63-P67 WeakPolarHBondContact O-CG 3.3Å; L63-M269 HydrophobicContact CD1-CE 4.09Å; L63-M269 HydrophobicContact CD1-SD 3.98Å
64L58.2Low58.3Low121 Ų12183.3 Ų83.363%0.63442%0.423SS*.Hα-helixtrans-79.1-43.6175.7-67.7170.3000112.2L60 W61 H62L60-L64 VanDerWaalsContact O-CG 3.3Å; L60-L64 WeakPolarHBondContact O-CG 3.13Å; L60-L64 PolarHBondContact O-N 2.88Å; L60-L64 VanDerWaalsContact O-N 3.08Å; W61-L64 PolarHBondContact O-N 3.41Å; W61-L64 VanDerWaalsContact O-N 3.17Å; H62-L64 PolarHBondContact O-N 2.77Å
65C52.2Low57.7Low19 Ų1981.8 Ų81.813%0.12841%0.413CS..Hα-helixtrans-82.3-39.4-171.9-680000114.1W61 H62 V68 L69 L82W61-C65 VanDerWaalsContact CD2-SG 3.58Å; W61-C65 WeakPolarHBondContact CZ2-SG 3.3Å; W61-C65 WeakPolarHBondContact O-CB 3.44Å; W61-C65 PolarHBondContact O-N 2.97Å; W61-C65 PolarHBondContact O-SG 2.65Å; W61-C65 VanDerWaalsContact O-SG 3.4Å; H62-C65 PolarHBondContact O-N 2.7Å; C65-V68 PolarHBondContact O-N 2.63Å; C65-L69 HydrophobicContact CB-CD1 4.15Å; C65-L69 WeakPolarHBondContact O-CB 3.08Å; C65-L69 VanDerWaalsContact O-CG 3.25Å; C65-L69 WeakPolarHBondContact O-CG 3.2Å; C65-L69 PolarHBondContact O-N 3.05Å; C65-L82 HydrophobicContact CB-CD2 4.23Å
66I65Low57Low24 Ų2481.6 Ų81.612%0.12341%0.41CS..Hα-helixtrans-57.9-46.7-175.6-68.8170.5000111.8H62 V68 L69 R70 I78 L82H62-I66 HydrophobicContact CB-CD1 4Å; H62-I66 HydrophobicContact CB-CG1 4.5Å; H62-I66 VanDerWaalsContact O-CB 3.3Å; H62-I66 WeakPolarHBondContact O-CB 3.36Å; H62-I66 VanDerWaalsContact O-CG1 3.23Å; H62-I66 WeakPolarHBondContact O-CG1 3.31Å; H62-I66 PolarHBondContact O-N 3.36Å; I66-V68 VanDerWaalsContact C-N 3.34Å; I66-V68 PolarHBondContact O-N 2.95Å; I66-L69 PolarHBondContact O-N 3.43Å; I66-R70 HydrophobicContact CG2-CG 4.1Å; I66-R70 WeakPolarHBondContact O-CB 3.24Å; I66-R70 VanDerWaalsContact O-CG 3.27Å; I66-R70 WeakPolarHBondContact O-CG 3.25Å; I66-R70 PolarHBondContact O-N 2.98Å; I66-I78 HydrophobicContact CB-CG2 4.44Å; I66-I78 HydrophobicContact CG1-CG2 3.95Å; I66-I78 HydrophobicContact CG2-CG2 4.43Å; I66-L82 HydrophobicContact CD1-CD1 4.32Å; I66-L82 HydrophobicContact CG1-CD1 3.55Å
67P59.2Low56.8Low74 Ų7476.2 Ų76.248%0.48138%0.383SS..Hα-helixtrans-60.7-41.7178.1-22.733.7000112.9L63 R70L63-P67 WeakPolarHBondContact O-CD 3.49Å; L63-P67 VanDerWaalsContact O-CG 3.31Å; L63-P67 WeakPolarHBondContact O-CG 3.3Å; P67-R70 PolarHBondContact O-N 3.17Å
68V48.9Very low57Low83 Ų8373.7 Ų73.750%0.50336%0.357SS..Hα-helixtrans-65.3-43178.1178.60000110.6C65 I66 I71 F72C65-V68 PolarHBondContact O-N 2.63Å; I66-V68 VanDerWaalsContact C-N 3.34Å; I66-V68 PolarHBondContact O-N 2.95Å; V68-I71 WeakPolarHBondContact O-CB 3.37Å; V68-I71 PolarHBondContact O-N 3.41Å; V68-F72 WeakPolarHBondContact O-CD2 3.14Å
69L47.1Very low57.2Low28 Ų2873.4 Ų73.415%0.14736%0.356CS..Hα-helixtrans-72.4-30.2-179.7-66.5170.3000112.6C65 I66 I71 F72 Y73 I78 L81 L82C65-L69 HydrophobicContact CB-CD1 4.15Å; C65-L69 WeakPolarHBondContact O-CB 3.08Å; C65-L69 VanDerWaalsContact O-CG 3.25Å; C65-L69 WeakPolarHBondContact O-CG 3.2Å; C65-L69 PolarHBondContact O-N 3.05Å; I66-L69 PolarHBondContact O-N 3.43Å; L69-I71 PolarHBondContact O-N 3.45Å; L69-F72 PolarHBondContact O-N 3.19Å; L69-Y73 HydrophobicContact CB-CD2 4.42Å; L69-Y73 HydrophobicContact CD2-CD2 4.1Å; L69-Y73 HydrophobicContact CD2-CE2 4.17Å; L69-Y73 WeakPolarHBondContact O-CB 3.19Å; L69-Y73 PolarHBondContact O-N 2.85Å; L69-I78 HydrophobicContact CB-CD1 4.02Å; L69-I78 HydrophobicContact CB-CG1 3.87Å; L69-I78 HydrophobicContact CB-CG2 4.02Å; L69-I78 HydrophobicContact CD1-CG2 3.99Å; L69-L81 HydrophobicContact CD1-CD2 3.9Å; L69-L81 HydrophobicContact CD2-CD2 3.55Å; L69-L81 HydrophobicContact CG-CD2 4.33Å; L69-L82 HydrophobicContact CD1-CD1 4.08Å; L69-L82 HydrophobicContact CD1-CD2 3.88Å; L69-L82 HydrophobicContact CD1-CG 3.98Å
70R63.3Low56.8Low154 Ų15473.1 Ų73.158%0.58136%0.355SS*.Hα-helixtrans-61.7-22174.4-80.9-179178.9-179.31.2113.6I66 P67 F72 I78I66-R70 HydrophobicContact CG2-CG 4.1Å; I66-R70 WeakPolarHBondContact O-CB 3.24Å; I66-R70 VanDerWaalsContact O-CG 3.27Å; I66-R70 WeakPolarHBondContact O-CG 3.25Å; I66-R70 PolarHBondContact O-N 2.98Å; P67-R70 PolarHBondContact O-N 3.17Å; R70-F72 PolarHBondContact O-N 3.15Å; R70-I78 VanDerWaalsContact CA-CD1 3.48Å; R70-I78 HydrophobicContact CB-CD1 3.93Å; R70-I78 HydrophobicContact CG-CD1 3.23Å; R70-I78 VanDerWaalsContact N-CD1 3.34Å
71I50.6Low56.6Low126 Ų12671.4 Ų71.465%0.64635%0.346SS*.THydrogen-bonded Turntrans-65.7-32.4173.5-59.7169.7000110.6V68 L69V68-I71 WeakPolarHBondContact O-CB 3.37Å; V68-I71 PolarHBondContact O-N 3.41Å; L69-I71 PolarHBondContact O-N 3.45Å
72F43.8Very low56.6Low147 Ų14765.8 Ų65.865%0.64533%0.327SS*.THydrogen-bonded Turntrans-111.8-22.6-171.1-56.1-75000113.6V68 L69 R70V68-F72 WeakPolarHBondContact O-CD2 3.14Å; L69-F72 PolarHBondContact O-N 3.19Å; R70-F72 PolarHBondContact O-N 3.15Å
73Y47.9Very low56.4Low92 Ų9269.5 Ų69.536%0.36135%0.347SS..SBendtrans-136.6145.7-167.1-59.2-63.7000112.8L69 L81 F145L69-Y73 HydrophobicContact CB-CD2 4.42Å; L69-Y73 HydrophobicContact CD2-CD2 4.1Å; L69-Y73 HydrophobicContact CD2-CE2 4.17Å; L69-Y73 WeakPolarHBondContact O-CB 3.19Å; L69-Y73 PolarHBondContact O-N 2.85Å; Y73-L81 HydrophobicContact CE2-CD2 4.44Å; Y73-F145 AromaticContact CD1-CE2 3.71Å; Y73-F145 HydrophobicContact CD1-CE2 3.71Å; Y73-F145 AromaticContact CD1-CZ 3.82Å; Y73-F145 HydrophobicContact CD1-CZ 3.82Å; Y73-F145 HydrophobicContact CE1-CE1 4.44Å; Y73-F145 AromaticContact CE1-CE2 3.64Å; Y73-F145 HydrophobicContact CE1-CE2 3.64Å; Y73-F145 AromaticContact CE1-CZ 3.32Å; Y73-F145 HydrophobicContact CE1-CZ 3.32Å; Y73-F145 AromaticContact CZ-CZ 3.88Å
74K61.3Low56.6Low132 Ų13267 Ų6757%0.57433%0.331SS*.  trans-65.4152.2168.6-67.3-172.9178.7-175.90110.3T76 C77 I78K74-T76 PolarHBondContact O-N 3.28Å; K74-T76 VanDerWaalsContact O-N 3.12Å; K74-C77 WeakPolarHBondContact O-CA 3.5Å; K74-C77 WeakPolarHBondContact O-CB 3.47Å; K74-C77 PolarHBondContact O-N 2.95Å; K74-I78 WeakPolarHBondContact O-CG1 3.24Å; K74-I78 PolarHBondContact O-N 3.3Å
75Q60.4Low57.1Low67 Ų6762.2 Ų62.231%0.31331%0.31SS..Hα-helixtrans-51.8-40.8-176.3-174.163.834.600113.1C77 I78 N79Q75-C77 VanDerWaalsContact C-N 3.31Å; Q75-C77 PolarHBondContact O-N 2.76Å; Q75-I78 WeakPolarHBondContact O-CB 3.21Å; Q75-I78 PolarHBondContact O-N 3.45Å; Q75-I78 VanDerWaalsContact O-N 3.13Å; Q75-N79 PolarHBondContact NE2-OD1 3.48Å; Q75-N79 PolarHBondContact O-N 3.38Å
76T57.6Low58.4Low44 Ų4461.6 Ų61.627%0.2731%0.306SS..Hα-helixtrans-62.1-37.9177.6-19.60000112K74 A80 M146 E216K74-T76 PolarHBondContact O-N 3.28Å; K74-T76 VanDerWaalsContact O-N 3.12Å; T76-A80 WeakPolarHBondContact O-CB 3.41Å; T76-A80 PolarHBondContact O-N 3.03Å; T76-M146 HydrophobicContact CG2-CE 4.19Å; T76-E216 WeakPolarHBondContact CG2-OE1 3.48Å; T76-E216 PolarHBondContact OG1-OE1 2.92Å
77C56.9Low59.4Low14 Ų1463.4 Ų63.410%0.09532%0.315CS..Hα-helixtrans-70.3-34174.4-62.50000112.2K74 Q75 A80 L81 F145K74-C77 WeakPolarHBondContact O-CA 3.5Å; K74-C77 WeakPolarHBondContact O-CB 3.47Å; K74-C77 PolarHBondContact O-N 2.95Å; Q75-C77 VanDerWaalsContact C-N 3.31Å; Q75-C77 PolarHBondContact O-N 2.76Å; C77-A80 PolarHBondContact O-N 2.56Å; C77-L81 VanDerWaalsContact O-CB 3.29Å; C77-L81 WeakPolarHBondContact O-CB 3.27Å; C77-L81 PolarHBondContact O-N 3.42Å; C77-F145 HydrophobicContact CB-CD2 3.79Å; C77-F145 HydrophobicContact CB-CE2 4.22Å; C77-F145 HydrophobicContact CB-CG 4.43Å
78I58.8Low60.9Low0 Ų060.2 Ų60.20%029%0.294CS..Hα-helixtrans-68.6-45.2176.6-59.6174.2000110.4I66 L69 R70 K74 Q75 A80 L81 L82I66-I78 HydrophobicContact CB-CG2 4.44Å; I66-I78 HydrophobicContact CG1-CG2 3.95Å; I66-I78 HydrophobicContact CG2-CG2 4.43Å; L69-I78 HydrophobicContact CB-CD1 4.02Å; L69-I78 HydrophobicContact CB-CG1 3.87Å; L69-I78 HydrophobicContact CB-CG2 4.02Å; L69-I78 HydrophobicContact CD1-CG2 3.99Å; R70-I78 VanDerWaalsContact CA-CD1 3.48Å; R70-I78 HydrophobicContact CB-CD1 3.93Å; R70-I78 HydrophobicContact CG-CD1 3.23Å; R70-I78 VanDerWaalsContact N-CD1 3.34Å; K74-I78 WeakPolarHBondContact O-CG1 3.24Å; K74-I78 PolarHBondContact O-N 3.3Å; Q75-I78 WeakPolarHBondContact O-CB 3.21Å; Q75-I78 PolarHBondContact O-N 3.45Å; Q75-I78 VanDerWaalsContact O-N 3.13Å; I78-A80 VanDerWaalsContact C-N 3.31Å; I78-A80 PolarHBondContact O-N 3.36Å; I78-L81 PolarHBondContact O-N 2.88Å; I78-L81 VanDerWaalsContact O-N 3.17Å; I78-L82 HydrophobicContact CG2-CD1 3.66Å; I78-L82 HydrophobicContact CG2-CG 4.28Å; I78-L82 WeakPolarHBondContact O-CB 3.31Å; I78-L82 WeakPolarHBondContact O-CG 3.36Å; I78-L82 PolarHBondContact O-N 3.42Å
79N63.8Low63.1Low49 Ų4956.3 Ų56.326%0.26227%0.27SS..Hα-helixtrans-58.8-45.7174.9-74.83.4000110.2Q75 L81 L82 D83 R84Q75-N79 PolarHBondContact NE2-OD1 3.48Å; Q75-N79 PolarHBondContact O-N 3.38Å; N79-L81 PolarHBondContact O-N 3.45Å; N79-L82 PolarHBondContact O-N 3.23Å; N79-D83 PolarHBondContact O-N 3.01Å; N79-R84 WeakPolarHBondContact CB-O 3.44Å; N79-R84 PolarHBondContact O-N 3.23Å
80A54.8Low65.5Low5 Ų555.1 Ų55.14%0.04126%0.264CS..Hα-helixtrans-58.4-44.6173.100000112.8T76 C77 I78 D83 F145 M146 R149T76-A80 WeakPolarHBondContact O-CB 3.41Å; T76-A80 PolarHBondContact O-N 3.03Å; C77-A80 PolarHBondContact O-N 2.56Å; I78-A80 VanDerWaalsContact C-N 3.31Å; I78-A80 PolarHBondContact O-N 3.36Å; A80-D83 PolarHBondContact O-N 3.14Å; A80-F145 HydrophobicContact CB-CB 3.98Å; A80-M146 HydrophobicContact CB-CE 3.6Å; A80-M146 HydrophobicContact CB-CG 4.33Å; A80-M146 HydrophobicContact CB-SD 3.43Å; A80-M146 WeakPolarHBondContact CB-SD 3.37Å; A80-R149 VanDerWaalsContact O-CZ 3.3Å; A80-R149 PolarHBondContact O-NE 2.95Å; A80-R149 PolarHBondContact O-NH2 2.46Å
81L52.3Low67.1Low68 Ų6847.9 Ų47.936%0.35624%0.236SC..Hα-helixtrans-67.9-37.2-177.7-172.768.6000112L69 Y73 C77 I78 N79 D83 F145 R149L69-L81 HydrophobicContact CD1-CD2 3.9Å; L69-L81 HydrophobicContact CD2-CD2 3.55Å; L69-L81 HydrophobicContact CG-CD2 4.33Å; Y73-L81 HydrophobicContact CE2-CD2 4.44Å; C77-L81 VanDerWaalsContact O-CB 3.29Å; C77-L81 WeakPolarHBondContact O-CB 3.27Å; C77-L81 PolarHBondContact O-N 3.42Å; I78-L81 PolarHBondContact O-N 2.88Å; I78-L81 VanDerWaalsContact O-N 3.17Å; N79-L81 PolarHBondContact O-N 3.45Å; L81-D83 VanDerWaalsContact C-N 3.28Å; L81-F145 HydrophobicContact CD1-CD1 4.48Å; L81-F145 HydrophobicContact CD1-CE1 4.3Å; L81-R149 PolarHBondContact O-NH2 3.39Å
82L60.7Low69.2Low29 Ų2942.4 Ų42.415%0.15221%0.209CC..THydrogen-bonded Turntrans-86.81.3178.6-62.9174.8000113.1C65 I66 L69 I78 N79 R84C65-L82 HydrophobicContact CB-CD2 4.23Å; I66-L82 HydrophobicContact CD1-CD1 4.32Å; I66-L82 HydrophobicContact CG1-CD1 3.55Å; L69-L82 HydrophobicContact CD1-CD1 4.08Å; L69-L82 HydrophobicContact CD1-CD2 3.88Å; L69-L82 HydrophobicContact CD1-CG 3.98Å; I78-L82 HydrophobicContact CG2-CD1 3.66Å; I78-L82 HydrophobicContact CG2-CG 4.28Å; I78-L82 WeakPolarHBondContact O-CB 3.31Å; I78-L82 WeakPolarHBondContact O-CG 3.36Å; I78-L82 PolarHBondContact O-N 3.42Å; N79-L82 PolarHBondContact O-N 3.23Å; L82-R84 VanDerWaalsContact C-N 3.29Å; L82-R84 HydrophobicContact CB-CB 4.35Å; L82-R84 PolarHBondContact O-N 3.5Å
83D62.3Low71.7Confident85 Ų8538.4 Ų38.446%0.45520%0.203SC..THydrogen-bonded Turntrans52.548.6-176.9-156.440.3000111.8N79 A80 L81N79-D83 PolarHBondContact O-N 3.01Å; A80-D83 PolarHBondContact O-N 3.14Å; L81-D83 VanDerWaalsContact C-N 3.28Å
84R64.5Low74Confident47 Ų4734.3 Ų34.318%0.17719%0.188CC..  trans-125.4147.8-171.8-147.4-169.1-179.6-179.4-1.8110.9H62 N79 L82H62-R84 VanDerWaalsContact CE1-CD 3.4Å; H62-R84 WeakPolarHBondContact CE1-CD 3Å; H62-R84 PolarHBondContact CE1-NE 2.79Å; H62-R84 PolarHBondContact ND1-NE 2.75Å; H62-R84 PolarHBondContact ND1-NH1 3.33Å; H62-R84 VanDerWaalsContact ND1-NH1 3.14Å; N79-R84 WeakPolarHBondContact CB-O 3.44Å; N79-R84 PolarHBondContact O-N 3.23Å; L82-R84 VanDerWaalsContact C-N 3.29Å; L82-R84 HydrophobicContact CB-CB 4.35Å; L82-R84 PolarHBondContact O-N 3.5Å
85G67.8Low75.7Confident19 Ų1928.1 Ų28.120%0.19616%0.161CC..  trans85.833.4179.600000111.3M87 E266G85-M87 WeakPolarHBondContact O-CG 3.27Å; G85-M87 PolarHBondContact O-N 3.41Å; G85-E266 PolarHBondContact N-OE2 3.15Å
86A78.9Confident77.3Confident7 Ų725.1 Ų25.16%0.05815%0.148CC..  trans-55.5135.6175.400000109.2F45 E266F45-A86 HydrophobicContact CE2-CB 4.37Å; F45-A86 WeakPolarHBondContact CZ-O 3.39Å; A86-E266 HydrophobicContact CB-CG 4.05Å; A86-E266 PolarHBondContact N-OE2 3.22Å; A86-E266 PolarHBondContact O-N 3.49Å; A86-E266 VanDerWaalsContact O-N 3.1Å
87M85.9Confident79.1Confident62 Ų6226 Ų2631%0.30516%0.156SC..EExtended strand (participates in β ladder)trans-105.7143.2-177.8-56-167.8-60.400109.9G85 I126 Y263 L264G85-M87 WeakPolarHBondContact O-CG 3.27Å; G85-M87 PolarHBondContact O-N 3.41Å; M87-I126 HydrophobicContact CB-CD1 4.24Å; M87-Y263 HydrophobicContact CB-CE2 4.03Å; M87-Y263 WeakPolarHBondContact CE-OH 3.35Å; M87-Y263 HydrophobicContact SD-CE2 4.34Å; M87-Y263 PolarHBondContact SD-OH 3.48Å; M87-L264 WeakPolarHBondContact CA-O 3.34Å
88F92.4Very high81Confident7 Ų725.5 Ų25.53%0.03115%0.152CC..EExtended strand (participates in β ladder)trans-130.2131.5175.9178.9-80.9000108.9E41 T42 F45 L264E41-F88 HydrophobicContact CB-CE2 4.32Å; T42-F88 HydrophobicContact CG2-CE1 4.15Å; T42-F88 WeakPolarHBondContact OG1-CZ 3.37Å; F45-F88 HydrophobicContact CB-CD2 3.94Å; F45-F88 HydrophobicContact CB-CE2 4.37Å; F45-F88 HydrophobicContact CB-CG 4.24Å; F45-F88 HydrophobicContact CD1-CB 3.72Å; F45-F88 HydrophobicContact CD1-CG 4.12Å; F45-F88 HydrophobicContact CD2-CB 3.64Å; F45-F88 HydrophobicContact CD2-CD2 4.08Å; F45-F88 HydrophobicContact CD2-CG 4.17Å; F45-F88 HydrophobicContact CE1-CB 3.73Å; F45-F88 HydrophobicContact CE2-CB 3.64Å; F45-F88 HydrophobicContact CG-CB 3.68Å; F45-F88 AromaticContact CG-CD2 3.95Å; F45-F88 HydrophobicContact CG-CD2 3.95Å; F45-F88 AromaticContact CG-CG 3.89Å; F45-F88 HydrophobicContact CG-CG 3.89Å; F45-F88 HydrophobicContact CZ-CB 3.68Å; F88-L264 HydrophobicContact CB-CB 4.24Å; F88-L264 HydrophobicContact CD1-CD1 3.95Å; F88-L264 PolarHBondContact N-O 3.28Å; F88-L264 PolarHBondContact O-N 2.9Å
89L95Very high82.8Confident1 Ų127 Ų271%0.00516%0.16CC..  trans-122.6-44.2177.3-178.463000111.7I126 L176 L261 Y263 V280L89-I126 HydrophobicContact CB-CD1 3.84Å; L89-I126 HydrophobicContact CB-CG1 4.47Å; L89-L176 HydrophobicContact CD2-CB 4.34Å; L89-L176 HydrophobicContact CD2-CD1 3.91Å; L89-L176 HydrophobicContact CD2-CD2 4.02Å; L89-L176 HydrophobicContact CD2-CG 4.3Å; L89-L261 HydrophobicContact CD1-CB 4.27Å; L89-L261 WeakPolarHBondContact O-CB 3.44Å; L89-Y263 HydrophobicContact CB-CD2 4.19Å; L89-Y263 HydrophobicContact CD1-CD2 3.96Å; L89-Y263 HydrophobicContact CD1-CG 4.36Å; L89-V280 HydrophobicContact CD1-CG2 3.94Å; L89-V280 HydrophobicContact CD2-CG2 4.03Å; L89-V280 HydrophobicContact CG-CG2 4.1Å
90F97.3Very high84.1Confident3 Ų326.3 Ų26.31%0.01317%0.165CC..  trans-146153.617745.7-109.2000111.1Q94 L95 I126 R129 Y130 L176 L204 L261F90-Q94 VanDerWaalsContact CA-OE1 3.3Å; F90-Q94 HydrophobicContact CB-CB 4.09Å; F90-L95 HydrophobicContact CD2-CB 3.67Å; F90-L95 HydrophobicContact CD2-CD1 4.29Å; F90-L95 HydrophobicContact CD2-CD2 4.22Å; F90-L95 HydrophobicContact CD2-CG 4.26Å; F90-L95 HydrophobicContact CE1-CD1 4.28Å; F90-L95 HydrophobicContact CE2-CB 3.98Å; F90-L95 HydrophobicContact CE2-CD1 3.93Å; F90-L95 HydrophobicContact CE2-CD2 3.66Å; F90-L95 HydrophobicContact CE2-CG 4.05Å; F90-L95 HydrophobicContact CG-CB 4.25Å; F90-L95 HydrophobicContact CZ-CD1 3.94Å; F90-L95 HydrophobicContact CZ-CD2 4.26Å; F90-I126 HydrophobicContact CE1-CG2 4.16Å; F90-I126 HydrophobicContact CE2-CG2 3.87Å; F90-I126 HydrophobicContact CZ-CG2 3.57Å; F90-R129 HydrophobicContact CD2-CB 4.19Å; F90-R129 HydrophobicContact CD2-CG 4.27Å; F90-R129 HydrophobicContact CE2-CB 3.76Å; F90-R129 HydrophobicContact CE2-CG 4.18Å; F90-Y130 HydrophobicContact CE2-CE1 4.34Å; F90-Y130 AromaticContact CZ-CE1 3.88Å; F90-Y130 HydrophobicContact CZ-CE1 3.88Å; F90-L176 HydrophobicContact CE1-CD1 4.05Å; F90-L176 HydrophobicContact CZ-CD1 4.18Å; F90-L204 HydrophobicContact CE1-CD2 4.16Å; F90-L204 HydrophobicContact CZ-CD2 4.32Å; F90-L261 HydrophobicContact CB-CD1 3.85Å; F90-L261 HydrophobicContact CD1-CD1 4.34Å
91S96.4Very high85.4Confident1 Ų128 Ų281%0.00717%0.171CC..  trans-76.3171.5163.375.10000112D39 A93 Q94 L95D39-S91 WeakPolarHBondContact OD2-CB 3.49Å; D39-S91 PolarHBondContact OD2-OG 3.29Å; S91-A93 VanDerWaalsContact C-N 3.3Å; S91-A93 PolarHBondContact O-N 3.15Å; S91-A93 PolarHBondContact OG-N 3.28Å; S91-Q94 WeakPolarHBondContact OG-CB 3.39Å; S91-Q94 WeakPolarHBondContact OG-CG 3.42Å; S91-Q94 PolarHBondContact OG-N 3.44Å; S91-L95 WeakPolarHBondContact O-CB 3.37Å; S91-L95 PolarHBondContact O-N 3.2Å
92S95.1Very high85.9Confident11 Ų1127.7 Ų27.78%0.07718%0.175CC..Hα-helixtrans-62.8-39172-430000111.3E41 L95 G96 R129 H132 F133E41-S92 WeakPolarHBondContact OE1-CB 3.39Å; E41-S92 PolarHBondContact OE1-N 2.85Å; E41-S92 PolarHBondContact OE1-OG 3.17Å; S92-L95 PolarHBondContact O-N 2.92Å; S92-G96 PolarHBondContact O-N 2.88Å; S92-R129 WeakPolarHBondContact OG-CD 3.32Å; S92-H132 PolarHBondContact OG-CD2 2.87Å; S92-F133 VanDerWaalsContact O-CZ 3.24Å; S92-F133 WeakPolarHBondContact O-CZ 3.33Å
93A95Very high85.8Confident63 Ų6333.1 Ų33.152%0.52120%0.204SC..Hα-helixtrans-68.5-42-179.800000112.7S91 G96 S97S91-A93 VanDerWaalsContact C-N 3.3Å; S91-A93 PolarHBondContact O-N 3.15Å; S91-A93 PolarHBondContact OG-N 3.28Å; A93-G96 PolarHBondContact O-N 3.44Å; A93-S97 WeakPolarHBondContact O-CB 3.21Å; A93-S97 PolarHBondContact O-N 2.9Å; A93-S97 PolarHBondContact O-OG 3Å
94Q96.6Very high85.3Confident7 Ų737 Ų373%0.03322%0.217CC..Hα-helixtrans-64.1-44.6175.3-72.5166.9-15.800110.7M36 S37 D39 F90 S91 S97 L98M36-Q94 HydrophobicContact CB-CG 4.48Å; M36-Q94 VanDerWaalsContact CE-O 3.27Å; M36-Q94 WeakPolarHBondContact CE-O 3.38Å; M36-Q94 HydrophobicContact CG-CG 4.44Å; M36-Q94 HydrophobicContact SD-CB 4.07Å; M36-Q94 HydrophobicContact SD-CG 4Å; S37-Q94 PolarHBondContact O-NE2 2.89Å; D39-Q94 WeakPolarHBondContact OD2-CG 3.31Å; F90-Q94 VanDerWaalsContact CA-OE1 3.3Å; F90-Q94 HydrophobicContact CB-CB 4.09Å; S91-Q94 WeakPolarHBondContact OG-CB 3.39Å; S91-Q94 WeakPolarHBondContact OG-CG 3.42Å; S91-Q94 PolarHBondContact OG-N 3.44Å; Q94-S97 PolarHBondContact O-N 3.38Å; Q94-L98 PolarHBondContact O-N 3.26Å
95L96.6Very high84.9Confident1 Ų138.1 Ų38.11%0.00523%0.227CC..Hα-helixtrans-60.5-48.7175.3-179.663000111.5F90 S91 S92 S97 L98 L99 R129 Y130 F133 L204F90-L95 HydrophobicContact CD2-CB 3.67Å; F90-L95 HydrophobicContact CD2-CD1 4.29Å; F90-L95 HydrophobicContact CD2-CD2 4.22Å; F90-L95 HydrophobicContact CD2-CG 4.26Å; F90-L95 HydrophobicContact CE1-CD1 4.28Å; F90-L95 HydrophobicContact CE2-CB 3.98Å; F90-L95 HydrophobicContact CE2-CD1 3.93Å; F90-L95 HydrophobicContact CE2-CD2 3.66Å; F90-L95 HydrophobicContact CE2-CG 4.05Å; F90-L95 HydrophobicContact CG-CB 4.25Å; F90-L95 HydrophobicContact CZ-CD1 3.94Å; F90-L95 HydrophobicContact CZ-CD2 4.26Å; S91-L95 WeakPolarHBondContact O-CB 3.37Å; S91-L95 PolarHBondContact O-N 3.2Å; S92-L95 PolarHBondContact O-N 2.92Å; L95-S97 VanDerWaalsContact C-N 3.32Å; L95-S97 PolarHBondContact O-N 3.16Å; L95-L98 PolarHBondContact O-N 3.13Å; L95-L99 HydrophobicContact CD1-CD1 3.81Å; L95-L99 HydrophobicContact CD1-CD2 4.47Å; L95-L99 HydrophobicContact CD1-CG 3.92Å; L95-L99 HydrophobicContact CD2-CD1 4.39Å; L95-L99 HydrophobicContact CG-CD1 3.83Å; L95-L99 HydrophobicContact CG-CG 4.26Å; L95-L99 WeakPolarHBondContact O-CB 3.28Å; L95-L99 VanDerWaalsContact O-CG 3.31Å; L95-L99 WeakPolarHBondContact O-CG 3.41Å; L95-L99 PolarHBondContact O-N 3.11Å; L95-R129 HydrophobicContact CD2-CB 4.2Å; L95-Y130 HydrophobicContact CD1-CE1 4.36Å; L95-Y130 HydrophobicContact CD2-CD1 3.62Å; L95-Y130 HydrophobicContact CD2-CE1 3.87Å; L95-F133 HydrophobicContact CB-CE2 4.19Å; L95-F133 HydrophobicContact CD2-CD2 3.81Å; L95-F133 HydrophobicContact CD2-CE2 3.78Å; L95-F133 HydrophobicContact CG-CD2 4.28Å; L95-F133 HydrophobicContact CG-CE2 4Å; L95-L204 HydrophobicContact CD1-CD2 3.91Å
96G95.3Very high84.3Confident4 Ų440.3 Ų40.34%0.04124%0.236CC..Hα-helixtrans-57.7-44.1178.600000112.4S92 A93 L99 G100 F101 F133S92-G96 PolarHBondContact O-N 2.88Å; A93-G96 PolarHBondContact O-N 3.44Å; G96-L99 CarbonylContact O-C 3.56Å; G96-L99 PolarHBondContact O-N 3.2Å; G96-G100 PolarHBondContact O-N 2.9Å; G96-F101 PolarHBondContact O-N 2.98Å; G96-F133 VanDerWaalsContact CA-CZ 3.45Å
97S95.5Very high82.9Confident63 Ų6345.3 Ų45.344%0.44127%0.27SS..Hα-helixtrans-61.2-45.2176.2-610000112.1A93 Q94 L95 G100 R257A93-S97 WeakPolarHBondContact O-CB 3.21Å; A93-S97 PolarHBondContact O-N 2.9Å; A93-S97 PolarHBondContact O-OG 3Å; Q94-S97 PolarHBondContact O-N 3.38Å; L95-S97 VanDerWaalsContact C-N 3.32Å; L95-S97 PolarHBondContact O-N 3.16Å; S97-G100 PolarHBondContact O-N 3.34Å; S97-R257 PolarHBondContact O-NH1 3.47Å
98L96.9Very high81.2Confident3 Ų346.1 Ų46.12%0.01628%0.282CS..Hα-helixtrans-63.1-45.6177.6-175.762.9000111.4V34 M36 Q94 L95 G100 L204 R257 T259 V280V34-L98 HydrophobicContact CG2-CD1 4.24Å; M36-L98 HydrophobicContact CE-CB 4.04Å; Q94-L98 PolarHBondContact O-N 3.26Å; L95-L98 PolarHBondContact O-N 3.13Å; L98-G100 PolarHBondContact O-N 3.41Å; L98-L204 HydrophobicContact CD2-CD1 3.71Å; L98-R257 HydrophobicContact CD1-CB 3.83Å; L98-R257 WeakPolarHBondContact O-CD 3.3Å; L98-R257 PolarHBondContact O-NH1 3.41Å; L98-R257 VanDerWaalsContact O-NH1 3.08Å; L98-T259 HydrophobicContact CD1-CG2 4.38Å; L98-T259 HydrophobicContact CD2-CG2 4.33Å; L98-V280 HydrophobicContact CD2-CB 4.45Å; L98-V280 HydrophobicContact CD2-CG1 3.73Å
99L95.2Very high79.1Confident31 Ų3147.8 Ų47.816%0.16229%0.294CS..Hα-helixtrans-72.4-14.1178.2-64-177000113.8L95 G96 F101 F134 M172 L282L95-L99 HydrophobicContact CD1-CD1 3.81Å; L95-L99 HydrophobicContact CD1-CD2 4.47Å; L95-L99 HydrophobicContact CD1-CG 3.92Å; L95-L99 HydrophobicContact CD2-CD1 4.39Å; L95-L99 HydrophobicContact CG-CD1 3.83Å; L95-L99 HydrophobicContact CG-CG 4.26Å; L95-L99 WeakPolarHBondContact O-CB 3.28Å; L95-L99 VanDerWaalsContact O-CG 3.31Å; L95-L99 WeakPolarHBondContact O-CG 3.41Å; L95-L99 PolarHBondContact O-N 3.11Å; G96-L99 CarbonylContact O-C 3.56Å; G96-L99 PolarHBondContact O-N 3.2Å; L99-F101 HydrophobicContact CB-CD2 3.58Å; L99-F101 HydrophobicContact CB-CE2 3.83Å; L99-F101 HydrophobicContact CD1-CD2 4.16Å; L99-F101 HydrophobicContact CD1-CE2 3.91Å; L99-F134 HydrophobicContact CD1-CE2 4.1Å; L99-F134 HydrophobicContact CD1-CZ 4.43Å; L99-M172 HydrophobicContact CD1-SD 4.22Å; L99-M172 HydrophobicContact CD2-SD 3.63Å; L99-L282 HydrophobicContact CD2-CD1 3.82Å; L99-L282 HydrophobicContact CD2-CD2 4.37Å
100G91Very high76.9Confident36 Ų3653.1 Ų53.137%0.37133%0.331SS..THydrogen-bonded Turntrans80.820179.300000114.8G96 S97 L98 S102G96-G100 PolarHBondContact O-N 2.9Å; S97-G100 PolarHBondContact O-N 3.34Å; L98-G100 PolarHBondContact O-N 3.41Å; G100-S102 PolarHBondContact O-N 3Å
101F82.2Confident74.9Confident40 Ų4057.5 Ų57.518%0.17536%0.362CS..  trans-72.4122.5168.3-73.7-75.1000109.4G96 L99 D105 V106 F133G96-F101 PolarHBondContact O-N 2.98Å; L99-F101 HydrophobicContact CB-CD2 3.58Å; L99-F101 HydrophobicContact CB-CE2 3.83Å; L99-F101 HydrophobicContact CD1-CD2 4.16Å; L99-F101 HydrophobicContact CD1-CE2 3.91Å; F101-D105 HydrophobicContact CD1-CB 4.01Å; F101-V106 HydrophobicContact CB-CG2 4.3Å; F101-F133 HydrophobicContact CB-CD1 4.09Å; F101-F133 HydrophobicContact CB-CE1 3.99Å; F101-F133 HydrophobicContact CD1-CD1 4.32Å; F101-F133 HydrophobicContact CD2-CB 4.3Å; F101-F133 AromaticContact CD2-CD1 3.46Å; F101-F133 HydrophobicContact CD2-CD1 3.46Å; F101-F133 VanDerWaalsContact CD2-CD1 3.46Å; F101-F133 HydrophobicContact CD2-CE1 4.04Å; F101-F133 HydrophobicContact CD2-CG 4.03Å; F101-F133 HydrophobicContact CE2-CB 3.88Å; F101-F133 AromaticContact CE2-CD1 3.93Å; F101-F133 HydrophobicContact CE2-CD1 3.93Å; F101-F133 HydrophobicContact CE2-CG 4.11Å; F101-F133 AromaticContact CG-CD1 3.7Å; F101-F133 HydrophobicContact CG-CD1 3.7Å; F101-F133 HydrophobicContact CG-CE1 4.11Å; F101-F133 HydrophobicContact CZ-CB 4.21Å
102S64.4Low73.3Confident62 Ų6263 Ų6343%0.43439%0.39SS..  trans-79.9153.3161.1-177.30000109.4G100 K104 D105 V106G100-S102 PolarHBondContact O-N 3Å; S102-K104 PolarHBondContact O-N 3.06Å; S102-D105 WeakPolarHBondContact CB-OD2 3.46Å; S102-D105 PolarHBondContact N-OD2 3.24Å; S102-D105 WeakPolarHBondContact O-CB 3.44Å; S102-D105 PolarHBondContact O-N 3.15Å; S102-V106 PolarHBondContact O-N 2.91Å
103D57.6Low72.9Confident142 Ų14267.3 Ų67.376%0.75941%0.412SS*.Hα-helixtrans-49.9-27.8170.2-71.5-27.9000112.8S107D103-S107 PolarHBondContact O-N 2.57Å; D103-S107 PolarHBondContact O-OG 2.78Å; D103-S107 VanDerWaalsContact O-OG 3.08Å
104K52Low72.8Confident166 Ų16666.3 Ų66.372%0.72240%0.395SS*.Hα-helixtrans-69.4-35.7175.2-66.2-172.8179.4-179.50113.1S102 S108S102-K104 PolarHBondContact O-N 3.06Å; K104-S108 WeakPolarHBondContact O-CB 3.19Å; K104-S108 PolarHBondContact O-N 2.77Å; K104-S108 VanDerWaalsContact O-N 3.13Å; K104-S108 PolarHBondContact O-OG 2.88Å
105D55.8Low72.8Confident72 Ų7266.3 Ų66.339%0.38540%0.396SS..Hα-helixtrans-73.7-34.9-177.8-59.9-43.1000111.5F101 S102 S109F101-D105 HydrophobicContact CD1-CB 4.01Å; S102-D105 WeakPolarHBondContact CB-OD2 3.46Å; S102-D105 PolarHBondContact N-OD2 3.24Å; S102-D105 WeakPolarHBondContact O-CB 3.44Å; S102-D105 PolarHBondContact O-N 3.15Å; D105-S109 VanDerWaalsContact O-CB 3.23Å; D105-S109 WeakPolarHBondContact O-CB 3.45Å; D105-S109 PolarHBondContact O-N 3.32Å
106V54.8Low72.8Confident64 Ų6466.2 Ų66.239%0.38840%0.395SS..Hα-helixtrans-66.4-40.2176.3-177.20000110.7F101 S102 F133F101-V106 HydrophobicContact CB-CG2 4.3Å; S102-V106 PolarHBondContact O-N 2.91Å; V106-F133 HydrophobicContact CG2-CD1 4.11Å; V106-F133 HydrophobicContact CG2-CE1 3.9Å
107S49.8Very low73Confident112 Ų11266 Ų6678%0.78339%0.393SS*.Hα-helixtrans-79.5-21-178.1-54.60000114D103D103-S107 PolarHBondContact O-N 2.57Å; D103-S107 PolarHBondContact O-OG 2.78Å; D103-S107 VanDerWaalsContact O-OG 3.08Å
108S50.7Low73.1Confident80 Ų8063.2 Ų63.256%0.55937%0.373SS*.Hα-helixtrans-111.1-0.8-176.563.10000114.4K104 C110K104-S108 WeakPolarHBondContact O-CB 3.19Å; K104-S108 PolarHBondContact O-N 2.77Å; K104-S108 VanDerWaalsContact O-N 3.13Å; K104-S108 PolarHBondContact O-OG 2.88Å; S108-C110 PolarHBondContact O-N 2.9Å
109S48.5Very low73.1Confident41 Ų4163.2 Ų63.229%0.28737%0.373SS..  trans-67.882171.61790000109.6D105 S111 R114D105-S109 VanDerWaalsContact O-CB 3.23Å; D105-S109 WeakPolarHBondContact O-CB 3.45Å; D105-S109 PolarHBondContact O-N 3.32Å; S109-S111 PolarHBondContact O-N 2.98Å; S109-R114 PolarHBondContact OG-NH2 2.73Å
110C47.5Very low73Confident114 Ų11463.2 Ų63.277%0.7738%0.381SS*.  trans-39.4116.1149.4-77.20000106.6S108 L112S108-C110 PolarHBondContact O-N 2.9Å; C110-L112 PolarHBondContact O-N 3.13Å
111S55.9Low73.1Confident94 Ų9462.1 Ų62.166%0.65737%0.368SS*.  trans-38.398.5-169.761.30000111.4S109 N113S109-S111 PolarHBondContact O-N 2.98Å; S111-N113 PolarHBondContact O-N 2.99Å; S111-N113 VanDerWaalsContact O-N 3.09Å
112L63.7Low73.4Confident116 Ų11660.7 Ų60.761%0.60737%0.365SS*.  trans-75.56.3-178.8-85.3166.7000111C110 R114C110-L112 PolarHBondContact O-N 3.13Å; L112-R114 HydrophobicContact CB-CG 3.68Å; L112-R114 PolarHBondContact O-N 3.12Å
113N86.3Confident74.6Confident102 Ų10258.6 Ų58.655%0.54535%0.349SS..  trans51.143.8-175.7-164.519.8000110.8S111 D135S111-N113 PolarHBondContact O-N 2.99Å; S111-N113 VanDerWaalsContact O-N 3.09Å; N113-D135 WeakPolarHBondContact CA-OD2 3.5Å; N113-D135 PolarHBondContact N-OD2 3.47Å
114R92.7Very high76.2Confident43 Ų4351.9 Ų51.916%0.16231%0.313CS..  trans-75.6135.3-174.3-72.9-171.8-92.9-164.8-6.1110.4S109 L112 F134 D135 R136 D171S109-R114 PolarHBondContact OG-NH2 2.73Å; L112-R114 HydrophobicContact CB-CG 3.68Å; L112-R114 PolarHBondContact O-N 3.12Å; R114-F134 HydrophobicContact CB-CD1 3.87Å; R114-F134 CarbonylContact O-C 3.49Å; R114-D135 PolarHBondContact N-OD2 3.28Å; R114-D135 PolarHBondContact O-N 3.05Å; R114-R136 PolarHBondContact O-N 3.29Å; R114-D171 WeakPolarHBondContact CA-OD2 3.26Å
115T96.1Very high78.1Confident6 Ų646.8 Ų46.84%0.03729%0.292CS..EExtended strand (participates in β ladder)trans-119.4125-176.3-56.90000110.4R136 L138 V170 D171 M172T115-R136 WeakPolarHBondContact CA-O 3.45Å; T115-R136 HydrophobicContact CG2-CB 4.07Å; T115-L138 HydrophobicContact CG2-CD1 3.66Å; T115-L138 HydrophobicContact CG2-CG 3.72Å; T115-V170 HydrophobicContact CG2-CG1 4.13Å; T115-D171 PolarHBondContact N-OD2 2.85Å; T115-D171 PolarHBondContact O-N 3.33Å; T115-M172 PolarHBondContact O-N 2.88Å
116V97.8Very high79.9Confident0 Ų044.2 Ų44.20%028%0.278CS..EExtended strand (participates in β ladder)trans-100.5144.5165.863.50000109.9Y130 F134 R136 V137 L138 M172V116-Y130 HydrophobicContact CG1-CD2 4.03Å; V116-Y130 HydrophobicContact CG1-CG 3.91Å; V116-Y130 HydrophobicContact CG2-CD1 4.36Å; V116-Y130 HydrophobicContact CG2-CD2 4.2Å; V116-Y130 HydrophobicContact CG2-CG 4.16Å; V116-F134 HydrophobicContact CB-CB 4.27Å; V116-F134 HydrophobicContact CB-CD1 3.87Å; V116-F134 HydrophobicContact CB-CD2 3.99Å; V116-F134 HydrophobicContact CB-CE1 4.2Å; V116-F134 HydrophobicContact CB-CE2 4.31Å; V116-F134 HydrophobicContact CB-CG 3.77Å; V116-F134 HydrophobicContact CB-CZ 4.42Å; V116-F134 HydrophobicContact CG1-CB 4.02Å; V116-F134 HydrophobicContact CG1-CD2 4.19Å; V116-F134 HydrophobicContact CG1-CG 4.01Å; V116-R136 PolarHBondContact N-O 2.75Å; V116-V137 HydrophobicContact CG1-CB 4.07Å; V116-V137 HydrophobicContact CG1-CG1 3.9Å; V116-V137 HydrophobicContact CG1-CG2 3.88Å; V116-L138 PolarHBondContact O-N 3.12Å; V116-M172 WeakPolarHBondContact CA-O 3.32Å; V116-M172 HydrophobicContact CB-CE 4.3Å; V116-M172 HydrophobicContact CG2-CB 4.32Å; V116-M172 HydrophobicContact CG2-CE 3.38Å
117L98.4Very high81.9Confident0 Ų041.2 Ų41.20%026%0.259CS..EExtended strand (participates in β ladder)trans-114.6118169.2168.765.7000109.9L119 L138 T140 I158 W163 V170 M172 I173 S174L117-L119 HydrophobicContact CD1-CD2 4.04Å; L117-L119 HydrophobicContact CD2-CD2 3.98Å; L117-L119 HydrophobicContact CG-CD2 3.91Å; L117-L119 HydrophobicContact CG-CG 4.41Å; L117-L138 CarbonylContact C-O 3.51Å; L117-L138 WeakPolarHBondContact CA-O 3.37Å; L117-L138 HydrophobicContact CD1-CB 4.07Å; L117-T140 HydrophobicContact CD1-CG2 4.43Å; L117-I158 HydrophobicContact CD1-CD1 3.67Å; L117-I158 HydrophobicContact CD1-CG1 4.34Å; L117-W163 HydrophobicContact CD1-CB 4.17Å; L117-W163 HydrophobicContact CD2-CB 3.6Å; L117-W163 HydrophobicContact CD2-CD2 4.33Å; L117-W163 HydrophobicContact CD2-CE3 4.06Å; L117-W163 HydrophobicContact CD2-CG 4.2Å; L117-V170 HydrophobicContact CB-CG1 4.02Å; L117-M172 PolarHBondContact N-O 2.8Å; L117-I173 HydrophobicContact CD2-CG1 4.3Å; L117-I173 HydrophobicContact CD2-CG2 4.28Å; L117-I173 HydrophobicContact CG-CG2 4.43Å; L117-I173 CarbonylContact O-C 3.56Å; L117-I173 WeakPolarHBondContact O-CA 3.34Å; L117-S174 PolarHBondContact O-N 2.79Å
118D98.4Very high84.1Confident4 Ų438.5 Ų38.52%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-103.6109.6177.9-163.921.5000111.4A121 S127 Y130 L138 A139 T140 S174D118-A121 HydrophobicContact CB-CB 4.2Å; D118-A121 WeakPolarHBondContact OD2-CB 3.5Å; D118-S127 WeakPolarHBondContact OD2-CB 3.49Å; D118-S127 PolarHBondContact OD2-OG 3.31Å; D118-Y130 HydrophobicContact CB-CE2 4.09Å; D118-L138 PolarHBondContact N-O 3.36Å; D118-A139 HydrophobicContact CB-CB 4.47Å; D118-A139 CarbonylContact O-C 3.58Å; D118-A139 WeakPolarHBondContact O-CA 3.36Å; D118-T140 PolarHBondContact O-N 2.87Å; D118-S174 VanDerWaalsContact OD1-CB 3.24Å; D118-S174 WeakPolarHBondContact OD1-CB 3.48Å; D118-S174 PolarHBondContact OD1-OG 3.25Å
119L96.8Very high86.2Confident3 Ų337.5 Ų37.52%0.01622%0.22CC..EExtended strand (participates in β ladder)trans-86.4123.6-179.2-61.1-174.8000110.7L117 T140 W163 I173 S174 L178 L188 L192L117-L119 HydrophobicContact CD1-CD2 4.04Å; L117-L119 HydrophobicContact CD2-CD2 3.98Å; L117-L119 HydrophobicContact CG-CD2 3.91Å; L117-L119 HydrophobicContact CG-CG 4.41Å; L119-T140 WeakPolarHBondContact CA-OG1 3.2Å; L119-T140 HydrophobicContact CD2-CG2 3.77Å; L119-T140 WeakPolarHBondContact CD2-OG1 3.39Å; L119-W163 HydrophobicContact CD1-CD2 4.4Å; L119-W163 HydrophobicContact CD1-CE3 4.48Å; L119-W163 HydrophobicContact CD1-CH2 4.21Å; L119-W163 HydrophobicContact CD1-CZ2 4.12Å; L119-W163 HydrophobicContact CD1-CZ3 4.39Å; L119-W163 HydrophobicContact CD2-CB 4.47Å; L119-W163 HydrophobicContact CD2-CD2 3.97Å; L119-W163 HydrophobicContact CD2-CG 3.92Å; L119-I173 HydrophobicContact CD1-CG2 4.09Å; L119-I173 HydrophobicContact CG-CG2 4.1Å; L119-S174 PolarHBondContact N-O 3.13Å; L119-L178 HydrophobicContact CB-CD2 3.97Å; L119-L188 HydrophobicContact CD1-CD1 4.34Å; L119-L192 HydrophobicContact CD1-CD2 3.61Å; L119-L192 HydrophobicContact CD1-CG 4.48Å
120G92.6Very high88.4Confident31 Ų3135.5 Ų35.532%0.3221%0.206SC..THydrogen-bonded Turntrans70.147.3-177.600000112.1G122 T140G120-G122 PolarHBondContact O-N 2.86Å; G120-G122 VanDerWaalsContact O-N 3.12Å; G120-T140 WeakPolarHBondContact CA-O 3.2Å; G120-T140 PolarHBondContact N-O 2.93Å; G120-T140 PolarHBondContact N-OG1 2.8Å
121A93.7Very high90.6Very high12 Ų1233.6 Ų33.610%0.09919%0.194CC..  trans-67.6-11.2-170.600000114.7D118 D123 G124 A139 T140 L150D118-A121 HydrophobicContact CB-CB 4.2Å; D118-A121 WeakPolarHBondContact OD2-CB 3.5Å; A121-D123 PolarHBondContact O-N 2.97Å; A121-G124 PolarHBondContact O-N 3.24Å; A121-G124 VanDerWaalsContact O-N 3.11Å; A121-A139 HydrophobicContact CB-CB 3.64Å; A121-T140 PolarHBondContact N-O 2.93Å; A121-T140 VanDerWaalsContact N-O 3.13Å; A121-L150 HydrophobicContact CB-CD1 4.1Å; A121-L150 HydrophobicContact CB-CD2 3.75Å
122G88.5Confident92.3Very high11 Ų1134 Ų3411%0.11319%0.185CC..THydrogen-bonded Turntrans58.5-129.2-177.500000111.4G120 G124 E141 M146G120-G122 PolarHBondContact O-N 2.86Å; G120-G122 VanDerWaalsContact O-N 3.12Å; G122-G124 VanDerWaalsContact C-N 3.26Å; G122-G124 PolarHBondContact O-N 2.82Å; G122-E141 WeakPolarHBondContact CA-OE2 3.2Å; G122-E141 PolarHBondContact N-OE2 3.29Å; G122-M146 WeakPolarHBondContact O-CB 3.4Å
123D88.3Confident93.6Very high18 Ų1829.6 Ų29.610%0.09616%0.161CC..THydrogen-bonded Turntrans-78.6-5.6-179687.1000114.3A121 H125 M146 K153A121-D123 PolarHBondContact O-N 2.97Å; D123-H125 WeakPolarHBondContact OD1-CB 3.43Å; D123-H125 IonicContact OD1-CD2 2.8Å; D123-H125 IonicContact OD1-CG 3.07Å; D123-H125 PolarHBondContact OD1-N 3.36Å; D123-H125 IonicContact OD2-CD2 2.66Å; D123-H125 PolarHBondContact OD2-CD2 2.99Å; D123-M146 HydrophobicContact CB-SD 3.97Å; D123-K153 WeakPolarHBondContact O-CD 3.18Å; D123-K153 WeakPolarHBondContact O-CE 3.24Å; D123-K153 PolarHBondContact O-NZ 3.42Å
124G92.4Very high94Very high0 Ų025.5 Ų25.50%014%0.138CC..SBendtrans82.44.9179.100000116.4A121 G122 I126 S127 L128 L150A121-G124 PolarHBondContact O-N 3.24Å; A121-G124 VanDerWaalsContact O-N 3.11Å; G122-G124 VanDerWaalsContact C-N 3.26Å; G122-G124 PolarHBondContact O-N 2.82Å; G124-I126 PolarHBondContact O-N 3.22Å; G124-S127 PolarHBondContact O-N 2.92Å; G124-L128 WeakPolarHBondContact O-CG 3.49Å; G124-L128 PolarHBondContact O-N 2.87Å; G124-L128 VanDerWaalsContact O-N 3.13Å; G124-L150 VanDerWaalsContact CA-CD2 3.4Å
125H91.4Very high94Very high60 Ų6027.5 Ų27.528%0.27815%0.152SC..THydrogen-bonded Turntrans-62.4-41.8-178.3-96.2-79.7000113.1D123D123-H125 WeakPolarHBondContact OD1-CB 3.43Å; D123-H125 IonicContact OD1-CD2 2.8Å; D123-H125 IonicContact OD1-CG 3.07Å; D123-H125 PolarHBondContact OD1-N 3.36Å; D123-H125 IonicContact OD2-CD2 2.66Å; D123-H125 PolarHBondContact OD2-CD2 2.99Å
126I94.5Very high94Very high18 Ų1832.7 Ų32.79%0.09217%0.171CC..THydrogen-bonded Turntrans-69.8-39.9174.7-60.5170.9000110M87 L89 F90 G124 L128 R129 L176 Y263M87-I126 HydrophobicContact CB-CD1 4.24Å; L89-I126 HydrophobicContact CB-CD1 3.84Å; L89-I126 HydrophobicContact CB-CG1 4.47Å; F90-I126 HydrophobicContact CE1-CG2 4.16Å; F90-I126 HydrophobicContact CE2-CG2 3.87Å; F90-I126 HydrophobicContact CZ-CG2 3.57Å; G124-I126 PolarHBondContact O-N 3.22Å; I126-L128 PolarHBondContact O-N 3.21Å; I126-L128 VanDerWaalsContact O-N 3.16Å; I126-R129 VanDerWaalsContact O-CB 3.27Å; I126-R129 WeakPolarHBondContact O-CB 3.43Å; I126-R129 WeakPolarHBondContact O-CG 3.3Å; I126-R129 PolarHBondContact O-N 3.04Å; I126-L176 HydrophobicContact CG2-CD1 3.55Å; I126-Y263 HydrophobicContact CD1-CE2 4.23Å
127S96.2Very high93.9Very high0 Ų033.6 Ų33.60%018%0.177CC..G310 helixtrans-61.2-28-177.5-36.40000113.5D118 G124 R129 Y130D118-S127 WeakPolarHBondContact OD2-CB 3.49Å; D118-S127 PolarHBondContact OD2-OG 3.31Å; G124-S127 PolarHBondContact O-N 2.92Å; S127-R129 PolarHBondContact O-N 3.16Å; S127-Y130 WeakPolarHBondContact O-CB 3.41Å; S127-Y130 WeakPolarHBondContact O-CD2 3.39Å; S127-Y130 PolarHBondContact O-N 3.2Å; S127-Y130 VanDerWaalsContact O-N 3.11Å
128L95.3Very high93.9Very high55 Ų5533.8 Ų33.829%0.28818%0.178SC..G310 helixtrans-60.5-22.2173.1-72.6177000113.3G124 I126 Y130 S131 K153G124-L128 WeakPolarHBondContact O-CG 3.49Å; G124-L128 PolarHBondContact O-N 2.87Å; G124-L128 VanDerWaalsContact O-N 3.13Å; I126-L128 PolarHBondContact O-N 3.21Å; I126-L128 VanDerWaalsContact O-N 3.16Å; L128-Y130 PolarHBondContact O-N 3.23Å; L128-S131 PolarHBondContact O-N 3.31Å; L128-S131 PolarHBondContact O-OG 3.43Å; L128-K153 HydrophobicContact CD1-CD 3.93Å; L128-K153 HydrophobicContact CD1-CG 4.45Å; L128-K153 HydrophobicContact CD2-CB 4.14Å; L128-K153 HydrophobicContact CG-CD 4.21Å
129R95.1Very high93.9Very high59 Ų5933.6 Ų33.622%0.22318%0.177CC..G310 helixtrans-70.4-23.4176.5-61-60.5179.3-99.615.2112.8E41 F90 S92 L95 I126 S127 S131E41-R129 IonicContact OE2-CZ 3.36Å; E41-R129 IonicContact OE2-NE 4Å; E41-R129 PolarHBondContact OE2-NE 2.95Å; E41-R129 IonicContact OE2-NH2 3.28Å; E41-R129 PolarHBondContact OE2-NH2 3.14Å; F90-R129 HydrophobicContact CD2-CB 4.19Å; F90-R129 HydrophobicContact CD2-CG 4.27Å; F90-R129 HydrophobicContact CE2-CB 3.76Å; F90-R129 HydrophobicContact CE2-CG 4.18Å; S92-R129 WeakPolarHBondContact OG-CD 3.32Å; L95-R129 HydrophobicContact CD2-CB 4.2Å; I126-R129 VanDerWaalsContact O-CB 3.27Å; I126-R129 WeakPolarHBondContact O-CB 3.43Å; I126-R129 WeakPolarHBondContact O-CG 3.3Å; I126-R129 PolarHBondContact O-N 3.04Å; S127-R129 PolarHBondContact O-N 3.16Å; R129-S131 VanDerWaalsContact C-N 3.3Å; R129-S131 PolarHBondContact O-N 2.97Å
130Y95.5Very high93.9Very high0 Ų033.6 Ų33.60%018%0.177CC..G310 helixtrans-71.3-24.8178.2-55.8-52.4000113.3F90 L95 V116 D118 S127 L128 H132 F133 F134 V137 M172 S174 L176 L204F90-Y130 HydrophobicContact CE2-CE1 4.34Å; F90-Y130 AromaticContact CZ-CE1 3.88Å; F90-Y130 HydrophobicContact CZ-CE1 3.88Å; L95-Y130 HydrophobicContact CD1-CE1 4.36Å; L95-Y130 HydrophobicContact CD2-CD1 3.62Å; L95-Y130 HydrophobicContact CD2-CE1 3.87Å; V116-Y130 HydrophobicContact CG1-CD2 4.03Å; V116-Y130 HydrophobicContact CG1-CG 3.91Å; V116-Y130 HydrophobicContact CG2-CD1 4.36Å; V116-Y130 HydrophobicContact CG2-CD2 4.2Å; V116-Y130 HydrophobicContact CG2-CG 4.16Å; D118-Y130 HydrophobicContact CB-CE2 4.09Å; S127-Y130 WeakPolarHBondContact O-CB 3.41Å; S127-Y130 WeakPolarHBondContact O-CD2 3.39Å; S127-Y130 PolarHBondContact O-N 3.2Å; S127-Y130 VanDerWaalsContact O-N 3.11Å; L128-Y130 PolarHBondContact O-N 3.23Å; Y130-H132 PolarHBondContact O-N 2.88Å; Y130-F133 PolarHBondContact O-N 3.39Å; Y130-F134 WeakPolarHBondContact O-CD2 3.2Å; Y130-F134 PolarHBondContact O-N 3.42Å; Y130-V137 HydrophobicContact CD2-CG1 4.34Å; Y130-M172 HydrophobicContact CD1-CE 3.76Å; Y130-M172 HydrophobicContact CE1-CE 3.68Å; Y130-S174 WeakPolarHBondContact OH-CB 3.43Å; Y130-S174 PolarHBondContact OH-OG 3.09Å; Y130-L176 VanDerWaalsContact OH-CD1 3.32Å; Y130-L176 WeakPolarHBondContact OH-CD1 3.34Å; Y130-L204 HydrophobicContact CE1-CD2 4.14Å
131S93.1Very high93.9Very high73 Ų7333.3 Ų33.351%0.5117%0.167SC..G310 helixtrans-65.2-11.7-177.563.80000113.7L128 R129 F133L128-S131 PolarHBondContact O-N 3.31Å; L128-S131 PolarHBondContact O-OG 3.43Å; R129-S131 VanDerWaalsContact C-N 3.3Å; R129-S131 PolarHBondContact O-N 2.97Å; S131-F133 VanDerWaalsContact C-N 3.31Å
132H91.1Very high93.5Very high104 Ų10434.9 Ų34.948%0.48118%0.18SC..G310 helixtrans-74.6-20.9171.4-71.8-90.5000113.4S92 Y130S92-H132 PolarHBondContact OG-CD2 2.87Å; Y130-H132 PolarHBondContact O-N 2.88Å
133F91.6Very high93.3Very high23 Ų2334.7 Ų34.710%0.10118%0.177CC..THydrogen-bonded Turntrans-125.3-19.4-170.6-52.2-72.7000113.4S92 L95 G96 F101 V106 Y130 S131S92-F133 VanDerWaalsContact O-CZ 3.24Å; S92-F133 WeakPolarHBondContact O-CZ 3.33Å; L95-F133 HydrophobicContact CB-CE2 4.19Å; L95-F133 HydrophobicContact CD2-CD2 3.81Å; L95-F133 HydrophobicContact CD2-CE2 3.78Å; L95-F133 HydrophobicContact CG-CD2 4.28Å; L95-F133 HydrophobicContact CG-CE2 4Å; G96-F133 VanDerWaalsContact CA-CZ 3.45Å; F101-F133 HydrophobicContact CB-CD1 4.09Å; F101-F133 HydrophobicContact CB-CE1 3.99Å; F101-F133 HydrophobicContact CD1-CD1 4.32Å; F101-F133 HydrophobicContact CD2-CB 4.3Å; F101-F133 AromaticContact CD2-CD1 3.46Å; F101-F133 HydrophobicContact CD2-CD1 3.46Å; F101-F133 VanDerWaalsContact CD2-CD1 3.46Å; F101-F133 HydrophobicContact CD2-CE1 4.04Å; F101-F133 HydrophobicContact CD2-CG 4.03Å; F101-F133 HydrophobicContact CE2-CB 3.88Å; F101-F133 AromaticContact CE2-CD1 3.93Å; F101-F133 HydrophobicContact CE2-CD1 3.93Å; F101-F133 HydrophobicContact CE2-CG 4.11Å; F101-F133 AromaticContact CG-CD1 3.7Å; F101-F133 HydrophobicContact CG-CD1 3.7Å; F101-F133 HydrophobicContact CG-CE1 4.11Å; F101-F133 HydrophobicContact CZ-CB 4.21Å; V106-F133 HydrophobicContact CG2-CD1 4.11Å; V106-F133 HydrophobicContact CG2-CE1 3.9Å; Y130-F133 PolarHBondContact O-N 3.39Å; S131-F133 VanDerWaalsContact C-N 3.31Å
134F93.7Very high93.2Very high15 Ų1536.7 Ų36.77%0.06620%0.196CC..  trans-127.7135.1-175.8-59.7-91.7000110L99 R114 V116 Y130 R136 D171 M172L99-F134 HydrophobicContact CD1-CE2 4.1Å; L99-F134 HydrophobicContact CD1-CZ 4.43Å; R114-F134 HydrophobicContact CB-CD1 3.87Å; R114-F134 CarbonylContact O-C 3.49Å; V116-F134 HydrophobicContact CB-CB 4.27Å; V116-F134 HydrophobicContact CB-CD1 3.87Å; V116-F134 HydrophobicContact CB-CD2 3.99Å; V116-F134 HydrophobicContact CB-CE1 4.2Å; V116-F134 HydrophobicContact CB-CE2 4.31Å; V116-F134 HydrophobicContact CB-CG 3.77Å; V116-F134 HydrophobicContact CB-CZ 4.42Å; V116-F134 HydrophobicContact CG1-CB 4.02Å; V116-F134 HydrophobicContact CG1-CD2 4.19Å; V116-F134 HydrophobicContact CG1-CG 4.01Å; Y130-F134 WeakPolarHBondContact O-CD2 3.2Å; Y130-F134 PolarHBondContact O-N 3.42Å; F134-R136 VanDerWaalsContact C-N 3.3Å; F134-D171 HydrophobicContact CD1-CB 4.5Å; F134-D171 HydrophobicContact CE1-CB 4.08Å; F134-M172 HydrophobicContact CE1-CB 3.8Å; F134-M172 HydrophobicContact CE2-CE 3.65Å; F134-M172 HydrophobicContact CE2-SD 4.33Å; F134-M172 HydrophobicContact CZ-CB 3.69Å; F134-M172 HydrophobicContact CZ-CE 3.69Å; F134-M172 HydrophobicContact CZ-CG 4.41Å; F134-M172 HydrophobicContact CZ-SD 3.89Å
135D92.9Very high92.9Very high86 Ų8639.5 Ų39.546%0.4621%0.209SC..SBendtrans-70.9-29.4177.5-58.7-79.9000111.6N113 R114N113-D135 WeakPolarHBondContact CA-OD2 3.5Å; N113-D135 PolarHBondContact N-OD2 3.47Å; R114-D135 PolarHBondContact N-OD2 3.28Å; R114-D135 PolarHBondContact O-N 3.05Å
136R95.9Very high92.7Very high114 Ų11437.7 Ų37.743%0.4320%0.201SC..EExtended strand (participates in β ladder)trans-129.2128.1-177.3-61.5177.567.1-161.4-0.4110.9R114 T115 V116 F134R114-R136 PolarHBondContact O-N 3.29Å; T115-R136 WeakPolarHBondContact CA-O 3.45Å; T115-R136 HydrophobicContact CG2-CB 4.07Å; V116-R136 PolarHBondContact N-O 2.75Å; F134-R136 VanDerWaalsContact C-N 3.3Å
137V97.4Very high92.6Very high20 Ų2041 Ų4112%0.12121%0.212CC..EExtended strand (participates in β ladder)trans-111.6111.1173.3-172.60000108.7V116 Y130 I155 T156V116-V137 HydrophobicContact CG1-CB 4.07Å; V116-V137 HydrophobicContact CG1-CG1 3.9Å; V116-V137 HydrophobicContact CG1-CG2 3.88Å; Y130-V137 HydrophobicContact CD2-CG1 4.34Å; V137-I155 HydrophobicContact CG1-CG1 4.23Å; V137-I155 HydrophobicContact CG1-CG2 4.02Å; V137-T156 PolarHBondContact O-N 3.45Å
138L98.2Very high92.4Very high3 Ų347.1 Ų47.12%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-99.2148.1170.9-51-176.5000109.1T115 V116 L117 D118 T156 I158 L168T115-L138 HydrophobicContact CG2-CD1 3.66Å; T115-L138 HydrophobicContact CG2-CG 3.72Å; V116-L138 PolarHBondContact O-N 3.12Å; L117-L138 CarbonylContact C-O 3.51Å; L117-L138 WeakPolarHBondContact CA-O 3.37Å; L117-L138 HydrophobicContact CD1-CB 4.07Å; D118-L138 PolarHBondContact N-O 3.36Å; L138-T156 CarbonylContact C-O 3.59Å; L138-T156 VanDerWaalsContact CA-O 3.28Å; L138-T156 WeakPolarHBondContact CA-O 3.47Å; L138-T156 HydrophobicContact CD2-CG2 3.8Å; L138-I158 HydrophobicContact CB-CD1 4.46Å; L138-I158 HydrophobicContact CD1-CD1 4.49Å; L138-L168 HydrophobicContact CD1-CD1 3.8Å; L138-L168 HydrophobicContact CD1-CD2 4.21Å; L138-L168 HydrophobicContact CD1-CG 4.42Å
139A98.2Very high92Very high0 Ų046.3 Ų46.30%023%0.229CC..EExtended strand (participates in β ladder)trans-143.7150.3176.900000113D118 A121 L150 I155 T156 V157 I158D118-A139 HydrophobicContact CB-CB 4.47Å; D118-A139 CarbonylContact O-C 3.58Å; D118-A139 WeakPolarHBondContact O-CA 3.36Å; A121-A139 HydrophobicContact CB-CB 3.64Å; A139-L150 HydrophobicContact CB-CD1 4.05Å; A139-L150 HydrophobicContact CB-CD2 4.33Å; A139-I155 HydrophobicContact CB-CG2 3.57Å; A139-T156 PolarHBondContact N-O 2.9Å; A139-V157 WeakPolarHBondContact O-CA 3.36Å; A139-I158 PolarHBondContact O-N 3.33Å
140T96.2Very high92Very high4 Ų443.5 Ų43.53%0.02522%0.218CC..EExtended strand (participates in β ladder)trans-111.6145.7164.766.70000110L117 D118 L119 G120 A121 I158 W163L117-T140 HydrophobicContact CD1-CG2 4.43Å; D118-T140 PolarHBondContact O-N 2.87Å; L119-T140 WeakPolarHBondContact CA-OG1 3.2Å; L119-T140 HydrophobicContact CD2-CG2 3.77Å; L119-T140 WeakPolarHBondContact CD2-OG1 3.39Å; G120-T140 WeakPolarHBondContact CA-O 3.2Å; G120-T140 PolarHBondContact N-O 2.93Å; G120-T140 PolarHBondContact N-OG1 2.8Å; A121-T140 PolarHBondContact N-O 2.93Å; A121-T140 VanDerWaalsContact N-O 3.13Å; T140-I158 HydrophobicContact CG2-CD1 4.44Å; T140-I158 HydrophobicContact CG2-CG1 3.84Å; T140-W163 HydrophobicContact CG2-CB 4.37Å; T140-W163 HydrophobicContact CG2-CG 4.34Å
141E91.9Very high92Very high24 Ų2450 Ų5011%0.11225%0.247CC..  trans-159.5130.9178.117846-12100111.4G122 S143 M146 R147 L150G122-E141 WeakPolarHBondContact CA-OE2 3.2Å; G122-E141 PolarHBondContact N-OE2 3.29Å; E141-S143 PolarHBondContact OE1-N 3Å; E141-M146 HydrophobicContact CG-CB 3.3Å; E141-M146 HydrophobicContact CG-CG 4.32Å; E141-R147 HydrophobicContact CB-CG 3.92Å; E141-R147 HydrophobicContact CG-CG 4.29Å; E141-R147 VanDerWaalsContact O-CD 3.32Å; E141-R147 WeakPolarHBondContact O-CD 3.48Å; E141-R147 VanDerWaalsContact O-CG 3.31Å; E141-R147 WeakPolarHBondContact O-CG 3.29Å; E141-R147 PolarHBondContact O-NH1 3.26Å; E141-L150 HydrophobicContact CB-CD1 3.68Å; E141-L150 HydrophobicContact CG-CD1 4.24Å
142A86.7Confident92.1Very high45 Ų4551.6 Ų51.637%0.37225%0.246SC..SBendtrans-72.3-36.4-176.200000112.2R147 Y217A142-R147 VanDerWaalsContact C-NH1 3.28Å; A142-R147 PolarHBondContact O-NH1 3.47Å; A142-Y217 HydrophobicContact CB-CD1 4.31Å; A142-Y217 HydrophobicContact CB-CG 4.34Å
143S83.3Confident92.3Very high7 Ų749 Ų495%0.04923%0.233CC..  trans-78.8126.8-178.8170.40000112.6E141 F145 M146 R147E141-S143 PolarHBondContact OE1-N 3Å; S143-F145 VanDerWaalsContact C-N 3.27Å; S143-F145 PolarHBondContact O-N 2.7Å; S143-F145 PolarHBondContact OG-N 2.84Å; S143-M146 PolarHBondContact O-N 2.7Å; S143-M146 PolarHBondContact OG-N 2.66Å; S143-R147 WeakPolarHBondContact O-CG 3.23Å; S143-R147 PolarHBondContact O-N 2.97Å
144A87.7Confident92.5Very high60 Ų6051 Ų5150%0.49626%0.261SS..Hα-helixtrans-60.5-35.317600000113.2Y148A144-Y148 PolarHBondContact O-N 2.8Å
145F85.4Confident92.7Very high60 Ų6050.7 Ų50.726%0.26326%0.26SS..Hα-helixtrans-69.2-41.6177.2-73.3-79.4000111.6Y73 C77 A80 L81 S143 Y148 R149Y73-F145 AromaticContact CD1-CE2 3.71Å; Y73-F145 HydrophobicContact CD1-CE2 3.71Å; Y73-F145 AromaticContact CD1-CZ 3.82Å; Y73-F145 HydrophobicContact CD1-CZ 3.82Å; Y73-F145 HydrophobicContact CE1-CE1 4.44Å; Y73-F145 AromaticContact CE1-CE2 3.64Å; Y73-F145 HydrophobicContact CE1-CE2 3.64Å; Y73-F145 AromaticContact CE1-CZ 3.32Å; Y73-F145 HydrophobicContact CE1-CZ 3.32Å; Y73-F145 AromaticContact CZ-CZ 3.88Å; C77-F145 HydrophobicContact CB-CD2 3.79Å; C77-F145 HydrophobicContact CB-CE2 4.22Å; C77-F145 HydrophobicContact CB-CG 4.43Å; A80-F145 HydrophobicContact CB-CB 3.98Å; L81-F145 HydrophobicContact CD1-CD1 4.48Å; L81-F145 HydrophobicContact CD1-CE1 4.3Å; S143-F145 VanDerWaalsContact C-N 3.27Å; S143-F145 PolarHBondContact O-N 2.7Å; S143-F145 PolarHBondContact OG-N 2.84Å; F145-Y148 WeakPolarHBondContact O-CB 3.35Å; F145-Y148 PolarHBondContact O-N 2.86Å; F145-Y148 VanDerWaalsContact O-N 3.15Å; F145-R149 PolarHBondContact O-N 3.46Å
146M86.5Confident92.9Very high22 Ų2250.1 Ų50.111%0.10826%0.259CS..Hα-helixtrans-67.7-40.3176.9-66.4-56.2-16700111.1T76 A80 G122 D123 E141 S143 Y148 R149 L150T76-M146 HydrophobicContact CG2-CE 4.19Å; A80-M146 HydrophobicContact CB-CE 3.6Å; A80-M146 HydrophobicContact CB-CG 4.33Å; A80-M146 HydrophobicContact CB-SD 3.43Å; A80-M146 WeakPolarHBondContact CB-SD 3.37Å; G122-M146 WeakPolarHBondContact O-CB 3.4Å; D123-M146 HydrophobicContact CB-SD 3.97Å; E141-M146 HydrophobicContact CG-CB 3.3Å; E141-M146 HydrophobicContact CG-CG 4.32Å; S143-M146 PolarHBondContact O-N 2.7Å; S143-M146 PolarHBondContact OG-N 2.66Å; M146-Y148 PolarHBondContact O-N 3.04Å; M146-R149 WeakPolarHBondContact O-CB 3.37Å; M146-R149 PolarHBondContact O-N 3.22Å; M146-L150 WeakPolarHBondContact O-CG 3.34Å; M146-L150 PolarHBondContact O-N 3.23Å
147R92.1Very high93Very high86 Ų8646.1 Ų46.133%0.32525%0.247SC..Hα-helixtrans-56.4-35.9169.2-69.5-164.3-60.8-86.34.3113.2E141 A142 S143 K151 V157E141-R147 HydrophobicContact CB-CG 3.92Å; E141-R147 HydrophobicContact CG-CG 4.29Å; E141-R147 VanDerWaalsContact O-CD 3.32Å; E141-R147 WeakPolarHBondContact O-CD 3.48Å; E141-R147 VanDerWaalsContact O-CG 3.31Å; E141-R147 WeakPolarHBondContact O-CG 3.29Å; E141-R147 PolarHBondContact O-NH1 3.26Å; A142-R147 VanDerWaalsContact C-NH1 3.28Å; A142-R147 PolarHBondContact O-NH1 3.47Å; S143-R147 WeakPolarHBondContact O-CG 3.23Å; S143-R147 PolarHBondContact O-N 2.97Å; R147-K151 WeakPolarHBondContact O-CG 3.42Å; R147-K151 PolarHBondContact O-N 3.4Å; R147-V157 HydrophobicContact CB-CG1 4.17Å; R147-V157 HydrophobicContact CG-CG1 3.7Å
148Y91.9Very high93Very high130 Ų13046 Ų4651%0.5125%0.246SC..Hα-helixtrans-66.1-46.4173.9173.1-92.5000111.2A144 F145 M146 L150 K151 E152A144-Y148 PolarHBondContact O-N 2.8Å; F145-Y148 WeakPolarHBondContact O-CB 3.35Å; F145-Y148 PolarHBondContact O-N 2.86Å; F145-Y148 VanDerWaalsContact O-N 3.15Å; M146-Y148 PolarHBondContact O-N 3.04Å; Y148-L150 PolarHBondContact O-N 3.05Å; Y148-K151 WeakPolarHBondContact O-CB 3.46Å; Y148-K151 PolarHBondContact O-N 2.8Å; Y148-K151 VanDerWaalsContact O-N 3.14Å; Y148-E152 HydrophobicContact CD1-CG 4.28Å; Y148-E152 HydrophobicContact CE1-CG 3.73Å; Y148-E152 WeakPolarHBondContact CE1-OE1 3.05Å; Y148-E152 VanDerWaalsContact CE1-OE2 3.23Å; Y148-E152 WeakPolarHBondContact CE1-OE2 3.43Å; Y148-E152 HydrophobicContact CE2-CG 4.46Å; Y148-E152 VanDerWaalsContact CZ-CD 3.49Å; Y148-E152 VanDerWaalsContact CZ-OE1 3.25Å; Y148-E152 PolarHBondContact O-N 2.94Å; Y148-E152 PolarHBondContact OH-OE1 2.71Å
149R88.9Confident92.8Very high38 Ų3847.5 Ų47.514%0.14326%0.262CS..Hα-helixtrans-60.1-40.6175.9-65.3-54.8-170178.68.2113.4A80 L81 F145 M146 K151 E152 K153A80-R149 VanDerWaalsContact O-CZ 3.3Å; A80-R149 PolarHBondContact O-NE 2.95Å; A80-R149 PolarHBondContact O-NH2 2.46Å; L81-R149 PolarHBondContact O-NH2 3.39Å; F145-R149 PolarHBondContact O-N 3.46Å; M146-R149 WeakPolarHBondContact O-CB 3.37Å; M146-R149 PolarHBondContact O-N 3.22Å; R149-K151 VanDerWaalsContact C-N 3.31Å; R149-K151 PolarHBondContact O-N 3.11Å; R149-E152 VanDerWaalsContact CD-OE2 3.29Å; R149-E152 WeakPolarHBondContact CD-OE2 3.4Å; R149-E152 IonicContact CZ-OE2 3.7Å; R149-E152 IonicContact NE-OE2 3.41Å; R149-E152 IonicContact NH1-OE2 2.84Å; R149-E152 PolarHBondContact NH1-OE2 3.35Å; R149-E152 PolarHBondContact O-N 3.32Å; R149-K153 WeakPolarHBondContact O-CG 3.48Å; R149-K153 PolarHBondContact O-N 3.39Å; R149-K153 VanDerWaalsContact O-N 3.15Å
150L94.3Very high92.4Very high0 Ų052.1 Ų52.10%028%0.284CS..Hα-helixtrans-58.2-45174.5-69.8169.3000111.1A121 G124 A139 E141 M146 Y148 K153 G154 I155 V157A121-L150 HydrophobicContact CB-CD1 4.1Å; A121-L150 HydrophobicContact CB-CD2 3.75Å; G124-L150 VanDerWaalsContact CA-CD2 3.4Å; A139-L150 HydrophobicContact CB-CD1 4.05Å; A139-L150 HydrophobicContact CB-CD2 4.33Å; E141-L150 HydrophobicContact CB-CD1 3.68Å; E141-L150 HydrophobicContact CG-CD1 4.24Å; M146-L150 WeakPolarHBondContact O-CG 3.34Å; M146-L150 PolarHBondContact O-N 3.23Å; Y148-L150 PolarHBondContact O-N 3.05Å; L150-K153 CarbonylContact O-C 3.54Å; L150-K153 PolarHBondContact O-N 3.01Å; L150-K153 VanDerWaalsContact O-N 3.17Å; L150-G154 PolarHBondContact O-N 2.76Å; L150-I155 HydrophobicContact CB-CB 4.25Å; L150-I155 HydrophobicContact CB-CG2 4.45Å; L150-I155 HydrophobicContact CD2-CB 4.37Å; L150-I155 HydrophobicContact CD2-CD1 3.73Å; L150-I155 HydrophobicContact CD2-CG2 4.21Å; L150-I155 WeakPolarHBondContact O-CB 3.37Å; L150-I155 PolarHBondContact O-N 2.91Å; L150-V157 HydrophobicContact CB-CG2 3.57Å; L150-V157 HydrophobicContact CD1-CG2 3.98Å; L150-V157 HydrophobicContact CG-CG2 4.42Å
151K96Very high92.1Very high137 Ų13757.6 Ų57.660%0.59631%0.314SS*.Hα-helixtrans-65.7-39.4177.6-69.7175.1-177.2-173.90112.8R147 Y148 R149 K153 G154 V157R147-K151 WeakPolarHBondContact O-CG 3.42Å; R147-K151 PolarHBondContact O-N 3.4Å; Y148-K151 WeakPolarHBondContact O-CB 3.46Å; Y148-K151 PolarHBondContact O-N 2.8Å; Y148-K151 VanDerWaalsContact O-N 3.14Å; R149-K151 VanDerWaalsContact C-N 3.31Å; R149-K151 PolarHBondContact O-N 3.11Å; K151-K153 PolarHBondContact O-N 3.49Å; K151-G154 PolarHBondContact O-N 2.93Å; K151-V157 HydrophobicContact CG-CG2 4.01Å
152E95.2Very high92.2Very high105 Ų10561.7 Ų61.749%0.49133%0.333SS..Hα-helixtrans-59.2-32173.9-71.3-171129.800112.1Y148 R149 G154Y148-E152 HydrophobicContact CD1-CG 4.28Å; Y148-E152 HydrophobicContact CE1-CG 3.73Å; Y148-E152 WeakPolarHBondContact CE1-OE1 3.05Å; Y148-E152 VanDerWaalsContact CE1-OE2 3.23Å; Y148-E152 WeakPolarHBondContact CE1-OE2 3.43Å; Y148-E152 HydrophobicContact CE2-CG 4.46Å; Y148-E152 VanDerWaalsContact CZ-CD 3.49Å; Y148-E152 VanDerWaalsContact CZ-OE1 3.25Å; Y148-E152 PolarHBondContact O-N 2.94Å; Y148-E152 PolarHBondContact OH-OE1 2.71Å; R149-E152 VanDerWaalsContact CD-OE2 3.29Å; R149-E152 WeakPolarHBondContact CD-OE2 3.4Å; R149-E152 IonicContact CZ-OE2 3.7Å; R149-E152 IonicContact NE-OE2 3.41Å; R149-E152 IonicContact NH1-OE2 2.84Å; R149-E152 PolarHBondContact NH1-OE2 3.35Å; R149-E152 PolarHBondContact O-N 3.32Å; E152-G154 VanDerWaalsContact C-N 3.29Å; E152-G154 PolarHBondContact O-N 2.94Å
153K94.5Very high92.6Very high50 Ų5060 Ų6022%0.21732%0.317CS..THydrogen-bonded Turntrans-84.65176.8-69.5-179.3173.986.10114D123 L128 R149 L150 K151 I155D123-K153 WeakPolarHBondContact O-CD 3.18Å; D123-K153 WeakPolarHBondContact O-CE 3.24Å; D123-K153 PolarHBondContact O-NZ 3.42Å; L128-K153 HydrophobicContact CD1-CD 3.93Å; L128-K153 HydrophobicContact CD1-CG 4.45Å; L128-K153 HydrophobicContact CD2-CB 4.14Å; L128-K153 HydrophobicContact CG-CD 4.21Å; R149-K153 WeakPolarHBondContact O-CG 3.48Å; R149-K153 PolarHBondContact O-N 3.39Å; R149-K153 VanDerWaalsContact O-N 3.15Å; L150-K153 CarbonylContact O-C 3.54Å; L150-K153 PolarHBondContact O-N 3.01Å; L150-K153 VanDerWaalsContact O-N 3.17Å; K151-K153 PolarHBondContact O-N 3.49Å; K153-I155 VanDerWaalsContact C-N 3.27Å; K153-I155 HydrophobicContact CB-CD1 4.11Å; K153-I155 HydrophobicContact CB-CG1 4.41Å; K153-I155 PolarHBondContact O-N 3Å
154G96.1Very high93.1Very high66 Ų6662.4 Ų62.468%0.6833%0.327SS*.THydrogen-bonded Turntrans74.712-178.600000114.7L150 K151 E152L150-G154 PolarHBondContact O-N 2.76Å; K151-G154 PolarHBondContact O-N 2.93Å; E152-G154 VanDerWaalsContact C-N 3.29Å; E152-G154 PolarHBondContact O-N 2.94Å
155I97.7Very high93.4Very high8 Ų863 Ų634%0.04133%0.325CS..  trans-82.5131.9177.6-62.3161.3000109.1V137 A139 L150 K153 V157V137-I155 HydrophobicContact CG1-CG1 4.23Å; V137-I155 HydrophobicContact CG1-CG2 4.02Å; A139-I155 HydrophobicContact CB-CG2 3.57Å; L150-I155 HydrophobicContact CB-CB 4.25Å; L150-I155 HydrophobicContact CB-CG2 4.45Å; L150-I155 HydrophobicContact CD2-CB 4.37Å; L150-I155 HydrophobicContact CD2-CD1 3.73Å; L150-I155 HydrophobicContact CD2-CG2 4.21Å; L150-I155 WeakPolarHBondContact O-CB 3.37Å; L150-I155 PolarHBondContact O-N 2.91Å; K153-I155 VanDerWaalsContact C-N 3.27Å; K153-I155 HydrophobicContact CB-CD1 4.11Å; K153-I155 HydrophobicContact CB-CG1 4.41Å; K153-I155 PolarHBondContact O-N 3Å; I155-V157 PolarHBondContact O-N 2.98Å
156T97.8Very high93.5Very high73 Ų7365.7 Ų65.745%0.44834%0.342SS..EExtended strand (participates in β ladder)trans-80.8114.9-179.9-60.40000109.9V137 L138 A139 I158V137-T156 PolarHBondContact O-N 3.45Å; L138-T156 CarbonylContact C-O 3.59Å; L138-T156 VanDerWaalsContact CA-O 3.28Å; L138-T156 WeakPolarHBondContact CA-O 3.47Å; L138-T156 HydrophobicContact CD2-CG2 3.8Å; A139-T156 PolarHBondContact N-O 2.9Å; T156-I158 HydrophobicContact CG2-CG2 4.42Å
157V97.9Very high93.8Very high30 Ų3071 Ų7118%0.18238%0.375CS..EExtended strand (participates in β ladder)trans-89.3125.2179.5-176.60000110.6A139 R147 L150 K151 I155A139-V157 WeakPolarHBondContact O-CA 3.36Å; R147-V157 HydrophobicContact CB-CG1 4.17Å; R147-V157 HydrophobicContact CG-CG1 3.7Å; L150-V157 HydrophobicContact CB-CG2 3.57Å; L150-V157 HydrophobicContact CD1-CG2 3.98Å; L150-V157 HydrophobicContact CG-CG2 4.42Å; K151-V157 HydrophobicContact CG-CG2 4.01Å; I155-V157 PolarHBondContact O-N 2.98Å
158I96.9Very high93.9Very high19 Ų1968.7 Ų68.710%0.09737%0.369CS..  trans-112.8163.9176.265.9176000111.3L117 L138 A139 T140 T156 W163 L168L117-I158 HydrophobicContact CD1-CD1 3.67Å; L117-I158 HydrophobicContact CD1-CG1 4.34Å; L138-I158 HydrophobicContact CB-CD1 4.46Å; L138-I158 HydrophobicContact CD1-CD1 4.49Å; A139-I158 PolarHBondContact O-N 3.33Å; T140-I158 HydrophobicContact CG2-CD1 4.44Å; T140-I158 HydrophobicContact CG2-CG1 3.84Å; T156-I158 HydrophobicContact CG2-CG2 4.42Å; I158-W163 HydrophobicContact CD1-CB 3.7Å; I158-L168 HydrophobicContact CD1-CD2 3.79Å
159G93.2Very high94Very high33 Ų3367.8 Ų67.834%0.3437%0.37SS..  trans-64.7154.5-179.800000114.1D161 E162G159-D161 PolarHBondContact O-N 3.42Å; G159-D161 VanDerWaalsContact O-N 3.12Å; G159-E162 PolarHBondContact N-OE2 3.35Å; G159-E162 PolarHBondContact O-N 3.46Å; G159-E162 VanDerWaalsContact O-N 3.14Å
160M90.1Very high94.4Very high97 Ų9766 Ų6648%0.47836%0.363SS..THydrogen-bonded Turntrans-59.6-23.2-178.9-70.5-61.1-6300114.3W163M160-W163 PolarHBondContact O-NE1 3.32Å
161D90.1Very high94.5Very high119 Ų11968.3 Ų68.364%0.63638%0.375SS*.THydrogen-bonded Turntrans-112.8-13.1175.8-61.3-57.9000113.1G159 W163 Q164G159-D161 PolarHBondContact O-N 3.42Å; G159-D161 VanDerWaalsContact O-N 3.12Å; D161-W163 PolarHBondContact O-N 3.39Å; D161-Q164 PolarHBondContact O-N 2.86Å; D161-Q164 PolarHBondContact OD1-NE2 3.49Å
162E94.1Very high94.6Very high110 Ų11062 Ų6251%0.51435%0.348SS..G310 helixtrans-64.7-28.8-176.6-171.1179.7173.200112G159 Q164 V165G159-E162 PolarHBondContact N-OE2 3.35Å; G159-E162 PolarHBondContact O-N 3.46Å; G159-E162 VanDerWaalsContact O-N 3.14Å; E162-Q164 PolarHBondContact O-N 3.46Å; E162-V165 WeakPolarHBondContact O-CG2 3.24Å; E162-V165 PolarHBondContact O-N 3.06Å
163W95.7Very high94.7Very high9 Ų957 Ų573%0.03433%0.325CS..G310 helixtrans-66.6-21.7179.171.5-91.6000114.1L117 L119 T140 I158 M160 D161 V165 L188 Q191 L192 K195L117-W163 HydrophobicContact CD1-CB 4.17Å; L117-W163 HydrophobicContact CD2-CB 3.6Å; L117-W163 HydrophobicContact CD2-CD2 4.33Å; L117-W163 HydrophobicContact CD2-CE3 4.06Å; L117-W163 HydrophobicContact CD2-CG 4.2Å; L119-W163 HydrophobicContact CD1-CD2 4.4Å; L119-W163 HydrophobicContact CD1-CE3 4.48Å; L119-W163 HydrophobicContact CD1-CH2 4.21Å; L119-W163 HydrophobicContact CD1-CZ2 4.12Å; L119-W163 HydrophobicContact CD1-CZ3 4.39Å; L119-W163 HydrophobicContact CD2-CB 4.47Å; L119-W163 HydrophobicContact CD2-CD2 3.97Å; L119-W163 HydrophobicContact CD2-CG 3.92Å; T140-W163 HydrophobicContact CG2-CB 4.37Å; T140-W163 HydrophobicContact CG2-CG 4.34Å; I158-W163 HydrophobicContact CD1-CB 3.7Å; M160-W163 PolarHBondContact O-NE1 3.32Å; D161-W163 PolarHBondContact O-N 3.39Å; W163-V165 VanDerWaalsContact C-N 3.3Å; W163-V165 PolarHBondContact O-N 2.82Å; W163-L188 HydrophobicContact CH2-CD1 4.24Å; W163-L188 HydrophobicContact CZ2-CD1 4.02Å; W163-Q191 HydrophobicContact CH2-CB 3.78Å; W163-Q191 HydrophobicContact CZ2-CB 4.36Å; W163-L192 HydrophobicContact CH2-CD2 4.13Å; W163-L192 HydrophobicContact CH2-CG 4.34Å; W163-L192 HydrophobicContact CZ3-CD2 4.09Å; W163-K195 HydrophobicContact CE3-CB 4.44Å; W163-K195 HydrophobicContact CE3-CG 4.18Å; W163-K195 HydrophobicContact CZ3-CB 3.95Å; W163-K195 HydrophobicContact CZ3-CG 4.18Å; W163-K195 WeakPolarHBondContact O-CD 3.39Å; W163-K195 WeakPolarHBondContact O-CE 3.45Å; W163-K195 PolarHBondContact O-NZ 3.46Å
164Q94Very high94.9Very high58 Ų5854.6 Ų54.627%0.27131%0.314SS..G310 helixtrans-79.5-13.2-177.2-63.1175.658.200112.5D161 E162 D166D161-Q164 PolarHBondContact O-N 2.86Å; D161-Q164 PolarHBondContact OD1-NE2 3.49Å; E162-Q164 PolarHBondContact O-N 3.46Å; Q164-D166 PolarHBondContact O-N 3.16Å
165V92.5Very high95Very high73 Ų7351.5 Ų51.544%0.44228%0.282SS..  trans-69.1130.2-175.4-170.50000110.5E162 W163 T167 L168 K195E162-V165 WeakPolarHBondContact O-CG2 3.24Å; E162-V165 PolarHBondContact O-N 3.06Å; W163-V165 VanDerWaalsContact C-N 3.3Å; W163-V165 PolarHBondContact O-N 2.82Å; V165-T167 WeakPolarHBondContact CG1-OG1 3.24Å; V165-T167 PolarHBondContact O-N 2.94Å; V165-L168 PolarHBondContact O-N 3.37Å; V165-L168 VanDerWaalsContact O-N 3.13Å; V165-K195 PolarHBondContact O-NZ 2.77Å
166D87.9Confident94.9Very high117 Ų11752 Ų5263%0.62628%0.284SS*.THydrogen-bonded Turntrans-62.6-25.2-174.9-73.2-34.5000114.2Q164 L168 S198Q164-D166 PolarHBondContact O-N 3.16Å; D166-L168 PolarHBondContact O-N 3.29Å; D166-S198 VanDerWaalsContact OD1-CB 3.28Å; D166-S198 WeakPolarHBondContact OD1-CB 3.39Å; D166-S198 PolarHBondContact OD1-OG 3.15Å
167T92.1Very high94.7Very high132 Ų13248.7 Ų48.781%0.8126%0.264SS*.THydrogen-bonded Turntrans-70.4-17.5178.255.30000113.7V165 H169V165-T167 WeakPolarHBondContact CG1-OG1 3.24Å; V165-T167 PolarHBondContact O-N 2.94Å; T167-H169 PolarHBondContact O-N 3.09Å
168L94.8Very high94.4Very high38 Ų3849 Ų4920%0.19927%0.265CS..SBendtrans-84.795.4177.2179.265.2000110.2L138 I158 V165 D166 V170 K195L138-L168 HydrophobicContact CD1-CD1 3.8Å; L138-L168 HydrophobicContact CD1-CD2 4.21Å; L138-L168 HydrophobicContact CD1-CG 4.42Å; I158-L168 HydrophobicContact CD1-CD2 3.79Å; V165-L168 PolarHBondContact O-N 3.37Å; V165-L168 VanDerWaalsContact O-N 3.13Å; D166-L168 PolarHBondContact O-N 3.29Å; L168-V170 HydrophobicContact CG-CG1 4.28Å; L168-K195 WeakPolarHBondContact O-CE 3.41Å; L168-K195 PolarHBondContact O-NZ 2.96Å
169H95.3Very high94.2Very high111 Ų11148.1 Ų48.151%0.51426%0.26SS..  trans-74.7137.8175.4-169.573.7000111.7T167 S199T167-H169 PolarHBondContact O-N 3.09Å; H169-S199 PolarHBondContact CE1-O 3.18Å
170V96.9Very high94Very high0 Ų047 Ų470%025%0.246CC..  trans-139.2145.2175.8-61.10000109.6T115 L117 L168 I173 S199 C201T115-V170 HydrophobicContact CG2-CG1 4.13Å; L117-V170 HydrophobicContact CB-CG1 4.02Å; L168-V170 HydrophobicContact CG-CG1 4.28Å; V170-I173 HydrophobicContact CG2-CD1 4.35Å; V170-I173 HydrophobicContact CG2-CG1 3.85Å; V170-S199 VanDerWaalsContact O-CB 3.31Å; V170-S199 WeakPolarHBondContact O-CB 3.36Å; V170-C201 WeakPolarHBondContact O-CB 3.25Å
171D96.1Very high93.8Very high50 Ų5046.4 Ų46.427%0.26724%0.239SC..SBendtrans-93-21.9-179.2-60.8-96.9000112.4R114 T115 F134 C201 H202R114-D171 WeakPolarHBondContact CA-OD2 3.26Å; T115-D171 PolarHBondContact N-OD2 2.85Å; T115-D171 PolarHBondContact O-N 3.33Å; F134-D171 HydrophobicContact CD1-CB 4.5Å; F134-D171 HydrophobicContact CE1-CB 4.08Å; D171-C201 VanDerWaalsContact C-CB 3.48Å; D171-C201 WeakPolarHBondContact O-CB 3.33Å; D171-H202 PolarHBondContact O-N 2.88Å
172M97.6Very high93.7Very high4 Ų442.6 Ų42.62%0.0222%0.217CC..EExtended strand (participates in β ladder)trans-151.3143.2173.6-173.3179.374.100110.6L99 T115 V116 L117 Y130 F134 H202 L204L99-M172 HydrophobicContact CD1-SD 4.22Å; L99-M172 HydrophobicContact CD2-SD 3.63Å; T115-M172 PolarHBondContact O-N 2.88Å; V116-M172 WeakPolarHBondContact CA-O 3.32Å; V116-M172 HydrophobicContact CB-CE 4.3Å; V116-M172 HydrophobicContact CG2-CB 4.32Å; V116-M172 HydrophobicContact CG2-CE 3.38Å; L117-M172 PolarHBondContact N-O 2.8Å; Y130-M172 HydrophobicContact CD1-CE 3.76Å; Y130-M172 HydrophobicContact CE1-CE 3.68Å; F134-M172 HydrophobicContact CE1-CB 3.8Å; F134-M172 HydrophobicContact CE2-CE 3.65Å; F134-M172 HydrophobicContact CE2-SD 4.33Å; F134-M172 HydrophobicContact CZ-CB 3.69Å; F134-M172 HydrophobicContact CZ-CE 3.69Å; F134-M172 HydrophobicContact CZ-CG 4.41Å; F134-M172 HydrophobicContact CZ-SD 3.89Å; M172-H202 WeakPolarHBondContact CA-O 3.5Å; M172-L204 HydrophobicContact CE-CD2 4.34Å; M172-L204 HydrophobicContact SD-CB 4.04Å; M172-L204 HydrophobicContact SD-CD2 4.48Å
173I98.6Very high93.5Very high0 Ų037.9 Ų37.90%020%0.196CC..EExtended strand (participates in β ladder)trans-108.9136.1165.2-53.7173.3000108.2L117 L119 V170 L192 K195 H202 L203 L204L117-I173 HydrophobicContact CD2-CG1 4.3Å; L117-I173 HydrophobicContact CD2-CG2 4.28Å; L117-I173 HydrophobicContact CG-CG2 4.43Å; L117-I173 CarbonylContact O-C 3.56Å; L117-I173 WeakPolarHBondContact O-CA 3.34Å; L119-I173 HydrophobicContact CD1-CG2 4.09Å; L119-I173 HydrophobicContact CG-CG2 4.1Å; V170-I173 HydrophobicContact CG2-CD1 4.35Å; V170-I173 HydrophobicContact CG2-CG1 3.85Å; I173-L192 HydrophobicContact CB-CD2 4.44Å; I173-L192 HydrophobicContact CD1-CD2 4.14Å; I173-L192 HydrophobicContact CG2-CD2 3.61Å; I173-K195 HydrophobicContact CD1-CB 3.92Å; I173-K195 HydrophobicContact CD1-CG 3.51Å; I173-H202 PolarHBondContact N-O 3.45Å; I173-L203 HydrophobicContact CB-CD1 4.09Å; I173-L203 HydrophobicContact CG2-CD1 4.16Å; I173-L203 CarbonylContact O-C 3.57Å; I173-L203 WeakPolarHBondContact O-CA 3.41Å; I173-L204 PolarHBondContact O-N 3.38Å
174S98.6Very high93.4Very high0 Ų041.9 Ų41.90%021%0.211CC..EExtended strand (participates in β ladder)trans-110.2136.6172.3168.50000109.7L117 D118 L119 Y130 L176 L204L117-S174 PolarHBondContact O-N 2.79Å; D118-S174 VanDerWaalsContact OD1-CB 3.24Å; D118-S174 WeakPolarHBondContact OD1-CB 3.48Å; D118-S174 PolarHBondContact OD1-OG 3.25Å; L119-S174 PolarHBondContact N-O 3.13Å; Y130-S174 WeakPolarHBondContact OH-CB 3.43Å; Y130-S174 PolarHBondContact OH-OG 3.09Å; S174-L176 VanDerWaalsContact OG-CG 3.28Å; S174-L176 WeakPolarHBondContact OG-CG 3.22Å; S174-L204 CarbonylContact C-O 3.6Å; S174-L204 WeakPolarHBondContact CA-O 3.39Å
175C97.7Very high93.5Very high0 Ų039.1 Ų39.10%020%0.198CC..EExtended strand (participates in β ladder)trans-143.977.2179.5175.70000108.3L192 L203 L204 V205 S206C175-L192 HydrophobicContact CB-CD1 4.33Å; C175-L203 HydrophobicContact CB-CD1 4.23Å; C175-L204 PolarHBondContact N-O 3.31Å; C175-V205 HydrophobicContact CB-CG2 4.07Å; C175-V205 WeakPolarHBondContact O-CA 3.48Å; C175-S206 PolarHBondContact O-N 2.68Å
176L96.3Very high93.7Very high18 Ų1841.3 Ų41.39%0.09420%0.199CC..EExtended strand (participates in β ladder)trans-94.3120.8-170.1-53.5-179.7000111.8L89 F90 I126 Y130 S174 L178 L204 S206L89-L176 HydrophobicContact CD2-CB 4.34Å; L89-L176 HydrophobicContact CD2-CD1 3.91Å; L89-L176 HydrophobicContact CD2-CD2 4.02Å; L89-L176 HydrophobicContact CD2-CG 4.3Å; F90-L176 HydrophobicContact CE1-CD1 4.05Å; F90-L176 HydrophobicContact CZ-CD1 4.18Å; I126-L176 HydrophobicContact CG2-CD1 3.55Å; Y130-L176 VanDerWaalsContact OH-CD1 3.32Å; Y130-L176 WeakPolarHBondContact OH-CD1 3.34Å; S174-L176 VanDerWaalsContact OG-CG 3.28Å; S174-L176 WeakPolarHBondContact OG-CG 3.22Å; L176-L178 PolarHBondContact O-N 2.73Å; L176-L204 HydrophobicContact CD2-CD2 4.26Å; L176-L204 HydrophobicContact CD2-CG 4.19Å; L176-S206 WeakPolarHBondContact CA-OG 3.25Å; L176-S206 WeakPolarHBondContact CB-OG 3.47Å
177N92.5Very high94.1Very high5 Ų536.4 Ų36.43%0.02717%0.173CC..SBendtrans49.134.9176.2-57.1-33.1000112.9D180 R181 S206 Y263 S278N177-D180 VanDerWaalsContact C-OD1 3.23Å; N177-R181 WeakPolarHBondContact O-CD 3.42Å; N177-S206 WeakPolarHBondContact CA-O 3.14Å; N177-S206 PolarHBondContact N-O 3.25Å; N177-S206 PolarHBondContact N-OG 2.79Å; N177-S206 PolarHBondContact ND2-OG 3Å; N177-S206 PolarHBondContact OD1-O 3.45Å; N177-S206 PolarHBondContact OD1-OG 3.49Å; N177-Y263 HydrophobicContact CB-CE1 4.36Å; N177-Y263 WeakPolarHBondContact ND2-CD1 3.35Å; N177-Y263 WeakPolarHBondContact ND2-CE1 3.49Å; N177-Y263 WeakPolarHBondContact ND2-CE2 3.25Å; N177-S278 PolarHBondContact OD1-OG 3.09Å
178L92.3Very high94.3Very high36 Ų3630.5 Ų30.519%0.18814%0.136CC..  trans-102.9-32.4-178.8179.161.3000111.5L119 L176 D180 R181 H182 L188L119-L178 HydrophobicContact CB-CD2 3.97Å; L176-L178 PolarHBondContact O-N 2.73Å; L178-D180 PolarHBondContact O-N 2.86Å; L178-R181 CarbonylContact O-C 3.56Å; L178-R181 WeakPolarHBondContact O-CA 3.42Å; L178-R181 PolarHBondContact O-N 3.01Å; L178-H182 WeakPolarHBondContact O-CB 3.49Å; L178-H182 PolarHBondContact O-N 2.84Å; L178-L188 HydrophobicContact CD2-CD2 4.03Å; L178-L188 HydrophobicContact CG-CD2 4.32Å
179L93.1Very high94.5Very high0 Ų028.7 Ų28.70%013%0.127CC..G310 helixtrans-64.5-40.5-172.7-65.1178.6000112.7R181 H182 P185 L188 L189 V205 V207 W211 F248L179-R181 PolarHBondContact O-N 3.35Å; L179-H182 PolarHBondContact O-N 2.91Å; L179-P185 HydrophobicContact CB-CB 4.49Å; L179-P185 HydrophobicContact CD2-CB 4.43Å; L179-P185 WeakPolarHBondContact O-CB 3.26Å; L179-L188 HydrophobicContact CD2-CD2 4.02Å; L179-L189 HydrophobicContact CD1-CD2 4.21Å; L179-L189 HydrophobicContact CD2-CD2 4.2Å; L179-L189 HydrophobicContact CD2-CG 4.11Å; L179-V205 HydrophobicContact CD1-CG1 3.75Å; L179-V207 HydrophobicContact CD1-CG1 4.19Å; L179-W211 HydrophobicContact CB-CH2 3.91Å; L179-W211 HydrophobicContact CB-CZ3 4.34Å; L179-F248 HydrophobicContact CD1-CE1 3.78Å; L179-F248 HydrophobicContact CD1-CZ 4.3Å
180D87.8Confident94.6Very high10 Ų1030.1 Ų30.15%0.05313%0.128CC..G310 helixtrans-67.6-17.5174.257.1-51.6000112.5N177 L178 W211 Q213 Y214N177-D180 VanDerWaalsContact C-OD1 3.23Å; L178-D180 PolarHBondContact O-N 2.86Å; D180-W211 HydrophobicContact CB-CE3 4.3Å; D180-W211 HydrophobicContact CB-CH2 3.88Å; D180-W211 HydrophobicContact CB-CZ2 4.15Å; D180-W211 HydrophobicContact CB-CZ3 3.96Å; D180-Q213 CarbonylContact O-C 3.59Å; D180-Q213 WeakPolarHBondContact O-CA 3.47Å; D180-Q213 VanDerWaalsContact O-CG 3.26Å; D180-Q213 WeakPolarHBondContact O-CG 3.49Å; D180-Y214 PolarHBondContact O-N 2.91Å
181R85.1Confident94.6Very high85 Ų8532.2 Ų32.232%0.32114%0.138SC..G310 helixtrans-106.1-7.4-178.9-59178.4-173.3-88.9-17114.6N177 L178 L179 Y214 E216N177-R181 WeakPolarHBondContact O-CD 3.42Å; L178-R181 CarbonylContact O-C 3.56Å; L178-R181 WeakPolarHBondContact O-CA 3.42Å; L178-R181 PolarHBondContact O-N 3.01Å; L179-R181 PolarHBondContact O-N 3.35Å; R181-Y214 VanDerWaalsContact CA-O 3.25Å; R181-Y214 WeakPolarHBondContact CA-O 3.29Å; R181-E216 IonicContact NH1-OE2 3.71Å
182H88.7Confident94.7Very high38 Ų3829.9 Ų29.918%0.17613%0.125CC..  trans-85.2139-177.5-158.6-96.6000110L178 L179 R184 P185 L188L178-H182 WeakPolarHBondContact O-CB 3.49Å; L178-H182 PolarHBondContact O-N 2.84Å; L179-H182 PolarHBondContact O-N 2.91Å; H182-R184 PolarHBondContact ND1-N 3.17Å; H182-R184 VanDerWaalsContact ND1-N 3.14Å; H182-R184 PolarHBondContact ND1-O 3.31Å; H182-R184 VanDerWaalsContact ND1-O 3.09Å; H182-R184 PolarHBondContact O-N 2.74Å; H182-P185 WeakPolarHBondContact O-CD 3.49Å; H182-L188 HydrophobicContact CB-CD2 4.39Å
183P90Very high94.7Very high12 Ų1233.7 Ų33.78%0.07814%0.139CC..SBendtrans-65.3-30.1175.924.5-33.5000112.5V215 N218 E226 E227P183-V215 HydrophobicContact CB-CG1 4.1Å; P183-V215 HydrophobicContact CB-CG2 4.3Å; P183-N218 HydrophobicContact CB-CB 4.26Å; P183-N218 HydrophobicContact CG-CB 4.12Å; P183-E226 HydrophobicContact CB-CG 4.32Å; P183-E226 WeakPolarHBondContact O-CA 3.46Å; P183-E226 WeakPolarHBondContact O-CB 3.29Å; P183-E226 PolarHBondContact O-N 3.27Å; P183-E227 PolarHBondContact O-N 2.95Å
184R94.1Very high94.7Very high93 Ų9339.6 Ų39.635%0.35117%0.167SC..  trans-131.365.7-176.2-64.7-178.7-83.1134.23.1112.9H182 R186 T187 L188 E226 E227H182-R184 PolarHBondContact ND1-N 3.17Å; H182-R184 VanDerWaalsContact ND1-N 3.14Å; H182-R184 PolarHBondContact ND1-O 3.31Å; H182-R184 VanDerWaalsContact ND1-O 3.09Å; H182-R184 PolarHBondContact O-N 2.74Å; R184-R186 VanDerWaalsContact C-N 3.33Å; R184-R186 PolarHBondContact O-N 2.97Å; R184-T187 PolarHBondContact O-N 2.87Å; R184-L188 PolarHBondContact O-N 3.41Å; R184-E226 WeakPolarHBondContact CD-OE2 3.41Å; R184-E226 HydrophobicContact CG-CB 3.72Å; R184-E226 HydrophobicContact CG-CG 4.41Å; R184-E226 VanDerWaalsContact CG-OE2 3.3Å; R184-E226 WeakPolarHBondContact CG-OE2 3.42Å; R184-E226 IonicContact NE-OE2 2.65Å; R184-E226 PolarHBondContact NE-OE2 2.92Å; R184-E227 VanDerWaalsContact CA-OE2 3.24Å; R184-E227 WeakPolarHBondContact CA-OE2 2.81Å; R184-E227 HydrophobicContact CB-CG 4.18Å; R184-E227 HydrophobicContact CG-CG 4.17Å
185P95.2Very high94.6Very high0 Ų039.7 Ų39.70%017%0.167CC..Hα-helixtrans-60.4-34.9-174.121.5-35.7000114.5L179 H182 L188 L189 E227 V229L179-P185 HydrophobicContact CB-CB 4.49Å; L179-P185 HydrophobicContact CD2-CB 4.43Å; L179-P185 WeakPolarHBondContact O-CB 3.26Å; H182-P185 WeakPolarHBondContact O-CD 3.49Å; P185-L188 PolarHBondContact O-N 2.93Å; P185-L189 WeakPolarHBondContact O-CB 3.44Å; P185-L189 VanDerWaalsContact O-CG 3.3Å; P185-L189 WeakPolarHBondContact O-CG 3.47Å; P185-L189 PolarHBondContact O-N 2.87Å; P185-E227 HydrophobicContact CG-CB 4.49Å; P185-V229 HydrophobicContact CB-CG2 4.3Å; P185-V229 HydrophobicContact CG-CG2 3.51Å
186R97.4Very high94.6Very high119 Ų11939.9 Ų39.945%0.44917%0.168SC..Hα-helixtrans-72.2-38.6178.4-63.4-180165.6-174.6-4.6110.8R184 L189 R190 E227 L247R184-R186 VanDerWaalsContact C-N 3.33Å; R184-R186 PolarHBondContact O-N 2.97Å; R186-L189 PolarHBondContact O-N 3.17Å; R186-R190 WeakPolarHBondContact O-CG 3.48Å; R186-R190 PolarHBondContact O-N 3.48Å; R186-E227 VanDerWaalsContact CA-OE2 3.31Å; R186-E227 WeakPolarHBondContact CA-OE2 2.92Å; R186-E227 VanDerWaalsContact CB-OE2 3.25Å; R186-E227 WeakPolarHBondContact CB-OE2 3.25Å; R186-E227 PolarHBondContact N-OE2 3.41Å; R186-L247 HydrophobicContact CG-CD2 4.35Å
187T96.7Very high94.6Very high14 Ų1443.2 Ų43.29%0.08619%0.185CC..Hα-helixtrans-63.1-44.2172-69.50000111.8R184 L189 R190 Q191 E227R184-T187 PolarHBondContact O-N 2.87Å; T187-L189 VanDerWaalsContact C-N 3.34Å; T187-L189 PolarHBondContact O-N 3.42Å; T187-R190 PolarHBondContact O-N 3Å; T187-R190 VanDerWaalsContact O-N 3.16Å; T187-R190 PolarHBondContact OG1-NH2 2.91Å; T187-Q191 PolarHBondContact O-N 3.36Å; T187-Q191 VanDerWaalsContact O-N 3.08Å; T187-E227 WeakPolarHBondContact CB-OE1 3.17Å; T187-E227 PolarHBondContact N-OE1 2.99Å; T187-E227 PolarHBondContact N-OE2 3.01Å; T187-E227 PolarHBondContact OG1-OE1 3.29Å
188L96.3Very high94.8Very high7 Ų745.5 Ų45.54%0.03720%0.202CC..Hα-helixtrans-58.1-45.8174.8176.858.1000111.4L119 W163 L178 L179 H182 R184 P185 R190 Q191 L192L119-L188 HydrophobicContact CD1-CD1 4.34Å; W163-L188 HydrophobicContact CH2-CD1 4.24Å; W163-L188 HydrophobicContact CZ2-CD1 4.02Å; L178-L188 HydrophobicContact CD2-CD2 4.03Å; L178-L188 HydrophobicContact CG-CD2 4.32Å; L179-L188 HydrophobicContact CD2-CD2 4.02Å; H182-L188 HydrophobicContact CB-CD2 4.39Å; R184-L188 PolarHBondContact O-N 3.41Å; P185-L188 PolarHBondContact O-N 2.93Å; L188-R190 VanDerWaalsContact C-N 3.31Å; L188-R190 PolarHBondContact O-N 3.48Å; L188-Q191 PolarHBondContact O-N 3.38Å; L188-Q191 VanDerWaalsContact O-N 3.16Å; L188-L192 HydrophobicContact CD1-CD1 4.26Å; L188-L192 HydrophobicContact CD1-CG 4.14Å; L188-L192 HydrophobicContact CG-CD1 3.98Å; L188-L192 HydrophobicContact CG-CG 4.35Å; L188-L192 WeakPolarHBondContact O-CB 3.48Å; L188-L192 WeakPolarHBondContact O-CG 3.32Å; L188-L192 PolarHBondContact O-N 3.26Å
189L98.3Very high95Very high1 Ų144 Ų441%0.00519%0.194CC..Hα-helixtrans-60.5-36.9176.7-74.8170.1000113.1L179 P185 R186 T187 L192 R193 L247 F248 A251L179-L189 HydrophobicContact CD1-CD2 4.21Å; L179-L189 HydrophobicContact CD2-CD2 4.2Å; L179-L189 HydrophobicContact CD2-CG 4.11Å; P185-L189 WeakPolarHBondContact O-CB 3.44Å; P185-L189 VanDerWaalsContact O-CG 3.3Å; P185-L189 WeakPolarHBondContact O-CG 3.47Å; P185-L189 PolarHBondContact O-N 2.87Å; R186-L189 PolarHBondContact O-N 3.17Å; T187-L189 VanDerWaalsContact C-N 3.34Å; T187-L189 PolarHBondContact O-N 3.42Å; L189-L192 HydrophobicContact CD2-CD1 4.33Å; L189-R193 PolarHBondContact O-N 2.83Å; L189-L247 HydrophobicContact CD1-CB 3.88Å; L189-L247 HydrophobicContact CD1-CD2 3.91Å; L189-L247 HydrophobicContact CD1-CG 4.43Å; L189-F248 HydrophobicContact CD1-CD1 4.5Å; L189-F248 HydrophobicContact CD2-CD1 4.19Å; L189-F248 HydrophobicContact CD2-CE1 4.27Å; L189-A251 HydrophobicContact CB-CB 3.75Å; L189-A251 HydrophobicContact CD1-CB 4.26Å; L189-A251 HydrophobicContact CG-CB 4.47Å
190R97.7Very high95.1Very high140 Ų14050.6 Ų50.653%0.52823%0.229SC..Hα-helixtrans-65-41.8174.2-71.1-176.4-58.4117.5-1112.2R186 T187 L188 R193 Q194R186-R190 WeakPolarHBondContact O-CG 3.48Å; R186-R190 PolarHBondContact O-N 3.48Å; T187-R190 PolarHBondContact O-N 3Å; T187-R190 VanDerWaalsContact O-N 3.16Å; T187-R190 PolarHBondContact OG1-NH2 2.91Å; L188-R190 VanDerWaalsContact C-N 3.31Å; L188-R190 PolarHBondContact O-N 3.48Å; R190-R193 PolarHBondContact O-N 3.27Å; R190-Q194 WeakPolarHBondContact O-CG 3.48Å; R190-Q194 PolarHBondContact O-N 3.05Å; R190-Q194 VanDerWaalsContact O-N 3.09Å
191Q97.2Very high95.5Very high45 Ų4550.3 Ų50.321%0.2123%0.228CC..Hα-helixtrans-66.8-44.3177-68.6169.2-50.700111W163 T187 L188 R193 Q194 K195W163-Q191 HydrophobicContact CH2-CB 3.78Å; W163-Q191 HydrophobicContact CZ2-CB 4.36Å; T187-Q191 PolarHBondContact O-N 3.36Å; T187-Q191 VanDerWaalsContact O-N 3.08Å; L188-Q191 PolarHBondContact O-N 3.38Å; L188-Q191 VanDerWaalsContact O-N 3.16Å; Q191-R193 VanDerWaalsContact C-N 3.29Å; Q191-R193 PolarHBondContact O-N 2.86Å; Q191-Q194 PolarHBondContact O-N 3.13Å; Q191-K195 PolarHBondContact O-N 2.88Å
192L98Very high96.1Very high0 Ų049 Ų490%023%0.226CC..Hα-helixtrans-55.8-44.6173.1-77.3172.3000111.3L119 W163 I173 C175 L188 L189 K195 C196 L203 F253L119-L192 HydrophobicContact CD1-CD2 3.61Å; L119-L192 HydrophobicContact CD1-CG 4.48Å; W163-L192 HydrophobicContact CH2-CD2 4.13Å; W163-L192 HydrophobicContact CH2-CG 4.34Å; W163-L192 HydrophobicContact CZ3-CD2 4.09Å; I173-L192 HydrophobicContact CB-CD2 4.44Å; I173-L192 HydrophobicContact CD1-CD2 4.14Å; I173-L192 HydrophobicContact CG2-CD2 3.61Å; C175-L192 HydrophobicContact CB-CD1 4.33Å; L188-L192 HydrophobicContact CD1-CD1 4.26Å; L188-L192 HydrophobicContact CD1-CG 4.14Å; L188-L192 HydrophobicContact CG-CD1 3.98Å; L188-L192 HydrophobicContact CG-CG 4.35Å; L188-L192 WeakPolarHBondContact O-CB 3.48Å; L188-L192 WeakPolarHBondContact O-CG 3.32Å; L188-L192 PolarHBondContact O-N 3.26Å; L189-L192 HydrophobicContact CD2-CD1 4.33Å; L192-K195 PolarHBondContact O-N 3.41Å; L192-C196 WeakPolarHBondContact O-CB 3.19Å; L192-C196 PolarHBondContact O-N 2.79Å; L192-C196 PolarHBondContact O-SG 2.92Å; L192-L203 HydrophobicContact CB-CD2 4.22Å; L192-L203 HydrophobicContact CD1-CD1 4.16Å; L192-L203 HydrophobicContact CD1-CD2 4.11Å; L192-L203 HydrophobicContact CD2-CD1 4.09Å; L192-F253 HydrophobicContact CB-CZ 4.36Å
193R97.9Very high96.5Very high85 Ų8547.2 Ų47.232%0.32122%0.217SC..Hα-helixtrans-61-47.9176.4177.2164.4-179.7-68.6-2.2112.2L189 R190 Q191 K195 C196 I197 A251 F253 V285L189-R193 PolarHBondContact O-N 2.83Å; R190-R193 PolarHBondContact O-N 3.27Å; Q191-R193 VanDerWaalsContact C-N 3.29Å; Q191-R193 PolarHBondContact O-N 2.86Å; R193-K195 VanDerWaalsContact C-N 3.26Å; R193-K195 PolarHBondContact O-N 3.12Å; R193-C196 PolarHBondContact O-N 3.29Å; R193-I197 HydrophobicContact CG-CD1 3.97Å; R193-I197 HydrophobicContact CG-CG1 4.49Å; R193-I197 VanDerWaalsContact NH1-CD1 3.33Å; R193-I197 WeakPolarHBondContact O-CG1 3.43Å; R193-I197 PolarHBondContact O-N 2.89Å; R193-A251 WeakPolarHBondContact CD-O 3.4Å; R193-F253 VanDerWaalsContact CA-CZ 3.46Å; R193-F253 HydrophobicContact CB-CE2 3.73Å; R193-F253 HydrophobicContact CB-CZ 3.72Å; R193-F253 HydrophobicContact CG-CZ 4.47Å; R193-V285 HydrophobicContact CG-CG1 4.26Å; R193-V285 HydrophobicContact CG-CG2 4.25Å
194Q97Very high97Very high123 Ų12346.7 Ų46.758%0.57521%0.214SC*.Hα-helixtrans-56.7-45.2177.7-73.6173.9-18.400110.9R190 Q191 I197 S198R190-Q194 WeakPolarHBondContact O-CG 3.48Å; R190-Q194 PolarHBondContact O-N 3.05Å; R190-Q194 VanDerWaalsContact O-N 3.09Å; Q191-Q194 PolarHBondContact O-N 3.13Å; Q194-I197 PolarHBondContact O-N 2.84Å; Q194-S198 PolarHBondContact O-N 2.92Å
195K97.6Very high97.2Very high3 Ų342.2 Ų42.21%0.01320%0.197CC..Hα-helixtrans-65.7-40.8178.3-172.363.1-177.3172.70113.2W163 V165 L168 I173 Q191 L192 R193 I197 S198 S199W163-K195 HydrophobicContact CE3-CB 4.44Å; W163-K195 HydrophobicContact CE3-CG 4.18Å; W163-K195 HydrophobicContact CZ3-CB 3.95Å; W163-K195 HydrophobicContact CZ3-CG 4.18Å; W163-K195 WeakPolarHBondContact O-CD 3.39Å; W163-K195 WeakPolarHBondContact O-CE 3.45Å; W163-K195 PolarHBondContact O-NZ 3.46Å; V165-K195 PolarHBondContact O-NZ 2.77Å; L168-K195 WeakPolarHBondContact O-CE 3.41Å; L168-K195 PolarHBondContact O-NZ 2.96Å; I173-K195 HydrophobicContact CD1-CB 3.92Å; I173-K195 HydrophobicContact CD1-CG 3.51Å; Q191-K195 PolarHBondContact O-N 2.88Å; L192-K195 PolarHBondContact O-N 3.41Å; R193-K195 VanDerWaalsContact C-N 3.26Å; R193-K195 PolarHBondContact O-N 3.12Å; K195-I197 VanDerWaalsContact C-N 3.28Å; K195-I197 PolarHBondContact O-N 3.03Å; K195-S198 PolarHBondContact O-N 2.81Å; K195-S198 PolarHBondContact O-OG 2.83Å; K195-S199 WeakPolarHBondContact CE-OG 3.16Å; K195-S199 WeakPolarHBondContact O-CB 3.25Å; K195-S199 PolarHBondContact O-N 2.82Å; K195-S199 PolarHBondContact O-OG 3.13Å
196C97.6Very high97.3Very high3 Ų342.2 Ų42.22%0.0220%0.197CC..Hα-helixtrans-63.6-35.3176.3-67.10000112L192 R193 N200 C201 F253 V285L192-C196 WeakPolarHBondContact O-CB 3.19Å; L192-C196 PolarHBondContact O-N 2.79Å; L192-C196 PolarHBondContact O-SG 2.92Å; R193-C196 PolarHBondContact O-N 3.29Å; C196-N200 WeakPolarHBondContact O-CA 3.4Å; C196-N200 PolarHBondContact O-N 3.11Å; C196-C201 PolarHBondContact O-N 3.39Å; C196-C201 VanDerWaalsContact O-N 3.1Å; C196-F253 HydrophobicContact CB-CE1 4.31Å; C196-V285 HydrophobicContact CB-CG2 3.58Å
197I96.8Very high97.2Very high89 Ų8936.6 Ų36.646%0.45618%0.176SC..Hα-helixtrans-67-51.1173.7-68.5168000110.5R193 Q194 K195 S199 N200 V285R193-I197 HydrophobicContact CG-CD1 3.97Å; R193-I197 HydrophobicContact CG-CG1 4.49Å; R193-I197 VanDerWaalsContact NH1-CD1 3.33Å; R193-I197 WeakPolarHBondContact O-CG1 3.43Å; R193-I197 PolarHBondContact O-N 2.89Å; Q194-I197 PolarHBondContact O-N 2.84Å; K195-I197 VanDerWaalsContact C-N 3.28Å; K195-I197 PolarHBondContact O-N 3.03Å; I197-S199 VanDerWaalsContact C-N 3.26Å; I197-S199 PolarHBondContact O-N 3.27Å; I197-N200 PolarHBondContact O-N 3.44Å; I197-V285 HydrophobicContact CD1-CG1 4.09Å; I197-V285 HydrophobicContact CG1-CB 4.39Å; I197-V285 HydrophobicContact CG1-CG1 3.83Å; I197-V285 HydrophobicContact CG1-CG2 4.07Å
198S96.3Very high97.1Very high52 Ų5236.6 Ų36.636%0.36418%0.176SC..Hα-helixtrans-67.5-28.8-175.765.40000112.9D166 Q194 K195D166-S198 VanDerWaalsContact OD1-CB 3.28Å; D166-S198 WeakPolarHBondContact OD1-CB 3.39Å; D166-S198 PolarHBondContact OD1-OG 3.15Å; Q194-S198 PolarHBondContact O-N 2.92Å; K195-S198 PolarHBondContact O-N 2.81Å; K195-S198 PolarHBondContact O-OG 2.83Å
199S96Very high97Very high4 Ų436.6 Ų36.63%0.02818%0.176CC..Hα-helixtrans-97.7-5.8177.6-47.50000113.9H169 V170 K195 I197 C201H169-S199 PolarHBondContact CE1-O 3.18Å; V170-S199 VanDerWaalsContact O-CB 3.31Å; V170-S199 WeakPolarHBondContact O-CB 3.36Å; K195-S199 WeakPolarHBondContact CE-OG 3.16Å; K195-S199 WeakPolarHBondContact O-CB 3.25Å; K195-S199 PolarHBondContact O-N 2.82Å; K195-S199 PolarHBondContact O-OG 3.13Å; I197-S199 VanDerWaalsContact C-N 3.26Å; I197-S199 PolarHBondContact O-N 3.27Å; S199-C201 VanDerWaalsContact C-N 3.27Å; S199-C201 PolarHBondContact O-N 3.19Å
200N95Very high96.8Very high139 Ų13940.5 Ų40.574%0.74320%0.201SC*.THydrogen-bonded Turntrans46.948.5-171.3-173.443.6000112.9C196 I197C196-N200 WeakPolarHBondContact O-CA 3.4Å; C196-N200 PolarHBondContact O-N 3.11Å; I197-N200 PolarHBondContact O-N 3.44Å
201C96Very high96.5Very high5 Ų535 Ų353%0.03418%0.18CC..  trans-113.7162.7-171.276.40000113.1V170 D171 C196 S199V170-C201 WeakPolarHBondContact O-CB 3.25Å; D171-C201 VanDerWaalsContact C-CB 3.48Å; D171-C201 WeakPolarHBondContact O-CB 3.33Å; C196-C201 PolarHBondContact O-N 3.39Å; C196-C201 VanDerWaalsContact O-N 3.1Å; S199-C201 VanDerWaalsContact C-N 3.27Å; S199-C201 PolarHBondContact O-N 3.19Å
202H97.5Very high96Very high58 Ų5840.2 Ų40.227%0.26921%0.205SC..EExtended strand (participates in β ladder)trans-84.2156.1171-58.494.7000110.9D171 M172 I173 E256 L282 K284D171-H202 PolarHBondContact O-N 2.88Å; M172-H202 WeakPolarHBondContact CA-O 3.5Å; I173-H202 PolarHBondContact N-O 3.45Å; H202-E256 IonicContact CD2-OE2 2.92Å; H202-E256 PolarHBondContact CD2-OE2 3.05Å; H202-E256 IonicContact NE2-OE1 3.74Å; H202-E256 IonicContact NE2-OE2 3.91Å; H202-E256 PolarHBondContact NE2-OE2 3.33Å; H202-L282 HydrophobicContact CB-CD1 3.75Å; H202-L282 HydrophobicContact CB-CG 4.44Å; H202-K284 PolarHBondContact NE2-NZ 3.07Å
203L98.7Very high95.5Very high0 Ų042.4 Ų42.40%022%0.215CC..EExtended strand (participates in β ladder)trans-116.4113.4174.1170.761.4000109.3I173 C175 L192 V205 F253 L283I173-L203 HydrophobicContact CB-CD1 4.09Å; I173-L203 HydrophobicContact CG2-CD1 4.16Å; I173-L203 CarbonylContact O-C 3.57Å; I173-L203 WeakPolarHBondContact O-CA 3.41Å; C175-L203 HydrophobicContact CB-CD1 4.23Å; L192-L203 HydrophobicContact CB-CD2 4.22Å; L192-L203 HydrophobicContact CD1-CD1 4.16Å; L192-L203 HydrophobicContact CD1-CD2 4.11Å; L192-L203 HydrophobicContact CD2-CD1 4.09Å; L203-V205 HydrophobicContact CD1-CG2 3.78Å; L203-V205 HydrophobicContact CD2-CG2 3.86Å; L203-V205 HydrophobicContact CG-CG2 3.62Å; L203-F253 HydrophobicContact CB-CE1 4.14Å; L203-F253 HydrophobicContact CD2-CD1 4.32Å; L203-F253 HydrophobicContact CD2-CD2 4.49Å; L203-F253 HydrophobicContact CD2-CE1 3.75Å; L203-F253 HydrophobicContact CD2-CE2 3.92Å; L203-F253 HydrophobicContact CD2-CZ 3.5Å; L203-L283 HydrophobicContact CB-CB 4.2Å; L203-L283 HydrophobicContact CD2-CD1 4.14Å; L203-L283 HydrophobicContact CG-CB 4.49Å; L203-L283 HydrophobicContact CG-CD1 4.44Å; L203-L283 PolarHBondContact N-O 3.03Å; L203-L283 WeakPolarHBondContact O-CA 3.3Å; L203-L283 WeakPolarHBondContact O-CB 3.37Å; L203-L283 PolarHBondContact O-N 2.78Å
204L98.8Very high94.6Very high0 Ų044.4 Ų44.40%022%0.223CC..EExtended strand (participates in β ladder)trans-89.6118170.3-175.269.1000108.9F90 L95 L98 Y130 M172 I173 S174 C175 L176 V280 L281 L282F90-L204 HydrophobicContact CE1-CD2 4.16Å; F90-L204 HydrophobicContact CZ-CD2 4.32Å; L95-L204 HydrophobicContact CD1-CD2 3.91Å; L98-L204 HydrophobicContact CD2-CD1 3.71Å; Y130-L204 HydrophobicContact CE1-CD2 4.14Å; M172-L204 HydrophobicContact CE-CD2 4.34Å; M172-L204 HydrophobicContact SD-CB 4.04Å; M172-L204 HydrophobicContact SD-CD2 4.48Å; I173-L204 PolarHBondContact O-N 3.38Å; S174-L204 CarbonylContact C-O 3.6Å; S174-L204 WeakPolarHBondContact CA-O 3.39Å; C175-L204 PolarHBondContact N-O 3.31Å; L176-L204 HydrophobicContact CD2-CD2 4.26Å; L176-L204 HydrophobicContact CD2-CG 4.19Å; L204-V280 HydrophobicContact CD1-CG1 3.81Å; L204-V280 HydrophobicContact CG-CG1 4.46Å; L204-L281 WeakPolarHBondContact CA-O 3.48Å; L204-L282 HydrophobicContact CD1-CD1 4.47Å
205V98.6Very high93.7Very high0 Ų038.6 Ų38.60%020%0.196CC..EExtended strand (participates in β ladder)trans-122.1141.5178168.40000109.3C175 L179 L203 V207 F248 V280 L281 L283C175-V205 HydrophobicContact CB-CG2 4.07Å; C175-V205 WeakPolarHBondContact O-CA 3.48Å; L179-V205 HydrophobicContact CD1-CG1 3.75Å; L203-V205 HydrophobicContact CD1-CG2 3.78Å; L203-V205 HydrophobicContact CD2-CG2 3.86Å; L203-V205 HydrophobicContact CG-CG2 3.62Å; V205-V207 HydrophobicContact CG1-CG1 4.12Å; V205-F248 HydrophobicContact CB-CZ 4.42Å; V205-F248 HydrophobicContact CG1-CE1 3.99Å; V205-F248 HydrophobicContact CG1-CZ 3.7Å; V205-V280 CarbonylContact O-C 3.58Å; V205-V280 WeakPolarHBondContact O-CA 3.45Å; V205-L281 PolarHBondContact N-O 3.11Å; V205-L281 PolarHBondContact O-N 2.66Å; V205-L283 HydrophobicContact CB-CD1 4.28Å; V205-L283 HydrophobicContact CG2-CD1 4.09Å
206S98.3Very high92.2Very high0 Ų041.4 Ų41.40%021%0.209CC..EExtended strand (participates in β ladder)trans-120.7144.5162.277.50000111.2C175 L176 N177 A279C175-S206 PolarHBondContact O-N 2.68Å; L176-S206 WeakPolarHBondContact CA-OG 3.25Å; L176-S206 WeakPolarHBondContact CB-OG 3.47Å; N177-S206 WeakPolarHBondContact CA-O 3.14Å; N177-S206 PolarHBondContact N-O 3.25Å; N177-S206 PolarHBondContact N-OG 2.79Å; N177-S206 PolarHBondContact ND2-OG 3Å; N177-S206 PolarHBondContact OD1-O 3.45Å; N177-S206 PolarHBondContact OD1-OG 3.49Å; S206-A279 VanDerWaalsContact CA-O 3.24Å; S206-A279 WeakPolarHBondContact CA-O 3.38Å
207V95.6Very high90.8Very high0 Ų045.1 Ų45.10%022%0.224CC..EExtended strand (participates in β ladder)trans-131.6143171.4-62.60000109.1L179 V205 L209 W211 V243 F248 S278 A279L179-V207 HydrophobicContact CD1-CG1 4.19Å; V205-V207 HydrophobicContact CG1-CG1 4.12Å; V207-L209 HydrophobicContact CG2-CD2 4.49Å; V207-W211 HydrophobicContact CB-CE3 4.3Å; V207-W211 HydrophobicContact CB-CZ3 4.1Å; V207-W211 HydrophobicContact CG1-CE3 4.46Å; V207-W211 HydrophobicContact CG1-CZ3 3.8Å; V207-V243 HydrophobicContact CG2-CG1 4.2Å; V207-V243 HydrophobicContact CG2-CG2 4.44Å; V207-F248 HydrophobicContact CG1-CZ 4.39Å; V207-S278 CarbonylContact O-C 3.55Å; V207-S278 VanDerWaalsContact O-CA 3.25Å; V207-S278 WeakPolarHBondContact O-CA 3.39Å; V207-S278 PolarHBondContact O-OG 3.37Å; V207-A279 HydrophobicContact CG2-CB 4.04Å; V207-A279 PolarHBondContact N-O 3.18Å; V207-A279 PolarHBondContact O-N 2.93Å
208V93.6Very high89.7Confident14 Ų1442.1 Ų42.19%0.08521%0.209CC..EExtended strand (participates in β ladder)trans-82.5137.3171.2169.30000109.5Y263 L276V208-Y263 HydrophobicContact CG2-CD1 3.88Å; V208-Y263 HydrophobicContact CG2-CE1 4.49Å; V208-L276 HydrophobicContact CG1-CB 3.8Å; V208-L276 HydrophobicContact CG1-CD1 4.06Å; V208-L276 HydrophobicContact CG1-CD2 4.42Å; V208-L276 HydrophobicContact CG1-CG 4.3Å; V208-L276 HydrophobicContact CG2-CB 4.18Å; V208-L276 HydrophobicContact CG2-CD1 4.21Å
209L93.6Very high88.7Confident7 Ų747.9 Ų47.94%0.03724%0.235CC..EExtended strand (participates in β ladder)trans-121.8134.6172.9-62.5-179.1000110V207 W211 F236 Q239 L240 V243 S277 A279V207-L209 HydrophobicContact CG2-CD2 4.49Å; L209-W211 HydrophobicContact CD2-CB 4.23Å; L209-F236 HydrophobicContact CB-CD2 3.86Å; L209-F236 HydrophobicContact CB-CE2 4.14Å; L209-F236 HydrophobicContact CD1-CD2 3.76Å; L209-F236 HydrophobicContact CD1-CE2 3.73Å; L209-F236 HydrophobicContact CD1-CG 4.31Å; L209-F236 HydrophobicContact CD1-CZ 4.26Å; L209-F236 HydrophobicContact CG-CD2 4.37Å; L209-F236 HydrophobicContact CG-CE2 4.31Å; L209-Q239 HydrophobicContact CD1-CB 4.06Å; L209-Q239 HydrophobicContact CD2-CB 3.78Å; L209-Q239 HydrophobicContact CG-CB 4.42Å; L209-L240 HydrophobicContact CD1-CB 4.1Å; L209-V243 HydrophobicContact CD2-CG2 4.08Å; L209-S277 PolarHBondContact N-O 3.34Å; L209-A279 HydrophobicContact CD1-CB 4.24Å
210P95.1Very high87.6Confident83 Ų8352.1 Ų52.154%0.53927%0.265SS..SBendcis-67.2145.42.829.7-35.8000113E212P210-E212 PolarHBondContact O-N 3.03Å
211W92.3Very high86.5Confident25 Ų2548.4 Ų48.410%0.09526%0.259CS..  trans-70.3122.6-176.3174.2-86.5000111.2L179 D180 V207 L209 V229 I231 L247L179-W211 HydrophobicContact CB-CH2 3.91Å; L179-W211 HydrophobicContact CB-CZ3 4.34Å; D180-W211 HydrophobicContact CB-CE3 4.3Å; D180-W211 HydrophobicContact CB-CH2 3.88Å; D180-W211 HydrophobicContact CB-CZ2 4.15Å; D180-W211 HydrophobicContact CB-CZ3 3.96Å; V207-W211 HydrophobicContact CB-CE3 4.3Å; V207-W211 HydrophobicContact CB-CZ3 4.1Å; V207-W211 HydrophobicContact CG1-CE3 4.46Å; V207-W211 HydrophobicContact CG1-CZ3 3.8Å; L209-W211 HydrophobicContact CD2-CB 4.23Å; W211-V229 HydrophobicContact CZ2-CB 3.85Å; W211-V229 HydrophobicContact CZ2-CG1 4.14Å; W211-V229 HydrophobicContact CZ2-CG2 4.23Å; W211-V229 PolarHBondContact NE1-O 3.33Å; W211-I231 HydrophobicContact CB-CB 3.69Å; W211-I231 HydrophobicContact CB-CG1 3.81Å; W211-I231 HydrophobicContact CB-CG2 3.97Å; W211-I231 HydrophobicContact CD2-CG1 3.74Å; W211-I231 HydrophobicContact CE3-CG1 4.39Å; W211-I231 HydrophobicContact CG-CB 3.8Å; W211-I231 HydrophobicContact CG-CG1 3.44Å; W211-I231 VanDerWaalsContact CG-CG1 3.44Å; W211-L247 HydrophobicContact CH2-CD1 3.89Å; W211-L247 HydrophobicContact CZ2-CD1 4.44Å; W211-L247 HydrophobicContact CZ3-CD1 4.14Å
212E85.8Confident85.5Confident154 Ų15450.1 Ų50.172%0.7227%0.272SS*.  trans-133.7113.8173-68.9-172.1179.300109.7P210P210-E212 PolarHBondContact O-N 3.03Å
213Q86.6Confident84.4Confident46 Ų4651.2 Ų51.222%0.21528%0.282CS..  trans-84.3126.2-178.5-161.3177.89.600110.8D180 A225 E227D180-Q213 CarbonylContact O-C 3.59Å; D180-Q213 WeakPolarHBondContact O-CA 3.47Å; D180-Q213 VanDerWaalsContact O-CG 3.26Å; D180-Q213 WeakPolarHBondContact O-CG 3.49Å; Q213-A225 HydrophobicContact CG-CB 4.43Å; Q213-E227 PolarHBondContact NE2-O 2.89Å
214Y79.8Confident83.5Confident127 Ų12757.3 Ų57.350%0.49831%0.314SS..  trans-145.5115.3177.4168.7-98.3000110.8D180 R181 E216 T223D180-Y214 PolarHBondContact O-N 2.91Å; R181-Y214 VanDerWaalsContact CA-O 3.25Å; R181-Y214 WeakPolarHBondContact CA-O 3.29Å; Y214-E216 HydrophobicContact CD1-CB 4.48Å; Y214-E216 HydrophobicContact CE1-CB 3.96Å; Y214-E216 HydrophobicContact CE1-CG 4.34Å; Y214-E216 PolarHBondContact O-N 3.39Å; Y214-T223 HydrophobicContact CE2-CG2 4.42Å
215V77.9Confident82.7Confident1 Ų159 Ų591%0.00633%0.328CS..  trans-82.6116179.8-179.20000110.6P183 Y217 N218 T223 A225P183-V215 HydrophobicContact CB-CG1 4.1Å; P183-V215 HydrophobicContact CB-CG2 4.3Å; V215-Y217 WeakPolarHBondContact CG1-O 3.06Å; V215-N218 HydrophobicContact CG1-CB 4.32Å; V215-T223 WeakPolarHBondContact O-CA 3.45Å; V215-T223 WeakPolarHBondContact O-CB 3.35Å; V215-A225 HydrophobicContact CG2-CB 3.99Å
216E65.9Low82.4Confident62 Ų6264.5 Ų64.529%0.2935%0.354SS..  trans-88.6-34.3176.8-168.2173.916600112.4T76 R181 Y214T76-E216 WeakPolarHBondContact CG2-OE1 3.48Å; T76-E216 PolarHBondContact OG1-OE1 2.92Å; R181-E216 IonicContact NH1-OE2 3.71Å; Y214-E216 HydrophobicContact CD1-CB 4.48Å; Y214-E216 HydrophobicContact CE1-CB 3.96Å; Y214-E216 HydrophobicContact CE1-CG 4.34Å; Y214-E216 PolarHBondContact O-N 3.39Å
217Y68.7Low82.2Confident82 Ų8266.6 Ų66.632%0.32236%0.364SS..  trans-134.6128.6-177.7-86.2-88.1000111.9A142 V215A142-Y217 HydrophobicContact CB-CD1 4.31Å; A142-Y217 HydrophobicContact CB-CG 4.34Å; V215-Y217 WeakPolarHBondContact CG1-O 3.06Å
218N74Confident82.1Confident26 Ų2671.4 Ų71.414%0.13939%0.393CS..  trans-148.3167.6158.266.531.7000109.8P183 V215 S220 G221 S222P183-N218 HydrophobicContact CB-CB 4.26Å; P183-N218 HydrophobicContact CG-CB 4.12Å; V215-N218 HydrophobicContact CG1-CB 4.32Å; N218-S220 PolarHBondContact O-N 3.39Å; N218-S220 VanDerWaalsContact O-N 3.16Å; N218-S220 PolarHBondContact OD1-N 3.42Å; N218-S220 VanDerWaalsContact OD1-N 3.12Å; N218-S220 PolarHBondContact OD1-OG 3Å; N218-G221 PolarHBondContact O-N 3.42Å; N218-G221 PolarHBondContact OD1-N 3.24Å; N218-S222 WeakPolarHBondContact ND2-CB 3.42Å; N218-S222 PolarHBondContact ND2-O 2.02Å; N218-S222 PolarHBondContact OD1-N 2.92Å; N218-S222 PolarHBondContact OD1-O 2.86Å
219D73.9Confident82.1Confident172 Ų17271 Ų7192%0.9239%0.391SS*.THydrogen-bonded Turntrans-62.4-24.9-175.8-60.4-29.3000113
220S74Confident82.1Confident94 Ų9473.8 Ų73.866%0.65741%0.41SS*.THydrogen-bonded Turntrans-86.1-9.7178.772.10000114.2N218 S222N218-S220 PolarHBondContact O-N 3.39Å; N218-S220 VanDerWaalsContact O-N 3.16Å; N218-S220 PolarHBondContact OD1-N 3.42Å; N218-S220 VanDerWaalsContact OD1-N 3.12Å; N218-S220 PolarHBondContact OD1-OG 3Å; S220-S222 PolarHBondContact O-N 2.99Å; S220-S222 WeakPolarHBondContact OG-CB 3.3Å; S220-S222 PolarHBondContact OG-N 3.2Å
221G70.9Confident82.2Confident60 Ų6071 Ų7162%0.61939%0.39SS*.  trans69.46.6-169.100000115N218N218-G221 PolarHBondContact O-N 3.42Å; N218-G221 PolarHBondContact OD1-N 3.24Å
222S75.1Confident82.3Confident42 Ų4275.9 Ų75.929%0.29441%0.413SS..  trans-72.1150.1174.8175.30000111N218 S220 L224N218-S222 WeakPolarHBondContact ND2-CB 3.42Å; N218-S222 PolarHBondContact ND2-O 2.02Å; N218-S222 PolarHBondContact OD1-N 2.92Å; N218-S222 PolarHBondContact OD1-O 2.86Å; S220-S222 PolarHBondContact O-N 2.99Å; S220-S222 WeakPolarHBondContact OG-CB 3.3Å; S220-S222 PolarHBondContact OG-N 3.2Å; S222-L224 WeakPolarHBondContact OG-CB 3.35Å; S222-L224 PolarHBondContact OG-N 3.1Å; S222-L224 VanDerWaalsContact OG-N 3.13Å
223T75.1Confident82.8Confident81 Ų8170.2 Ų70.250%0.49740%0.396SS..  trans-99.68.4172.460.80000112.7Y214 V215Y214-T223 HydrophobicContact CE2-CG2 4.42Å; V215-T223 WeakPolarHBondContact O-CA 3.45Å; V215-T223 WeakPolarHBondContact O-CB 3.35Å
224L79.4Confident83.2Confident128 Ų12877.2 Ų77.267%0.6743%0.429SS*.  trans-83.1135.9178.9-63.4173.5000110.8S222S222-L224 WeakPolarHBondContact OG-CB 3.35Å; S222-L224 PolarHBondContact OG-N 3.1Å; S222-L224 VanDerWaalsContact OG-N 3.13Å
225A83.2Confident84Confident34 Ų3472.5 Ų72.528%0.28141%0.413SS..  trans-70.7132.2167.800000110.2Q213 V215Q213-A225 HydrophobicContact CG-CB 4.43Å; V215-A225 HydrophobicContact CG2-CB 3.99Å
226E91Very high84.9Confident116 Ų11673.4 Ų73.454%0.54242%0.417SS..SBendtrans-82.1-29.7172.5-64.9169.7-142.500110.8P183 R184P183-E226 HydrophobicContact CB-CG 4.32Å; P183-E226 WeakPolarHBondContact O-CA 3.46Å; P183-E226 WeakPolarHBondContact O-CB 3.29Å; P183-E226 PolarHBondContact O-N 3.27Å; R184-E226 WeakPolarHBondContact CD-OE2 3.41Å; R184-E226 HydrophobicContact CG-CB 3.72Å; R184-E226 HydrophobicContact CG-CG 4.41Å; R184-E226 VanDerWaalsContact CG-OE2 3.3Å; R184-E226 WeakPolarHBondContact CG-OE2 3.42Å; R184-E226 IonicContact NE-OE2 2.65Å; R184-E226 PolarHBondContact NE-OE2 2.92Å
227E94.3Very high86.4Confident45 Ų4571.1 Ų71.121%0.2141%0.406CS..SBendtrans-122.4109.4170.6-60.7168.6175.700109.4P183 R184 P185 R186 T187 Q213P183-E227 PolarHBondContact O-N 2.95Å; R184-E227 VanDerWaalsContact CA-OE2 3.24Å; R184-E227 WeakPolarHBondContact CA-OE2 2.81Å; R184-E227 HydrophobicContact CB-CG 4.18Å; R184-E227 HydrophobicContact CG-CG 4.17Å; P185-E227 HydrophobicContact CG-CB 4.49Å; R186-E227 VanDerWaalsContact CA-OE2 3.31Å; R186-E227 WeakPolarHBondContact CA-OE2 2.92Å; R186-E227 VanDerWaalsContact CB-OE2 3.25Å; R186-E227 WeakPolarHBondContact CB-OE2 3.25Å; R186-E227 PolarHBondContact N-OE2 3.41Å; T187-E227 WeakPolarHBondContact CB-OE1 3.17Å; T187-E227 PolarHBondContact N-OE1 2.99Å; T187-E227 PolarHBondContact N-OE2 3.01Å; T187-E227 PolarHBondContact OG1-OE1 3.29Å; Q213-E227 PolarHBondContact NE2-O 2.89Å
228T93.5Very high87.8Confident101 Ų10169.5 Ų69.562%0.6240%0.403SS*.  trans-79.6137.7175.9-48.10000111.2
229V94.1Very high88.9Confident6 Ų669.4 Ų69.44%0.03640%0.402CS..  trans-115.7119.3172.8-175.60000109P185 W211 I231 L247P185-V229 HydrophobicContact CB-CG2 4.3Å; P185-V229 HydrophobicContact CG-CG2 3.51Å; W211-V229 HydrophobicContact CZ2-CB 3.85Å; W211-V229 HydrophobicContact CZ2-CG1 4.14Å; W211-V229 HydrophobicContact CZ2-CG2 4.23Å; W211-V229 PolarHBondContact NE1-O 3.33Å; V229-I231 HydrophobicContact CG1-CD1 3.7Å; V229-I231 HydrophobicContact CG1-CG1 4.01Å; V229-L247 HydrophobicContact CB-CD2 4.38Å; V229-L247 HydrophobicContact CG1-CD1 3.96Å; V229-L247 HydrophobicContact CG1-CD2 3.71Å; V229-L247 HydrophobicContact CG1-CG 3.81Å; V229-L247 HydrophobicContact CG2-CD2 3.72Å
230S94.2Very high90.1Very high64 Ų6461.2 Ų61.245%0.44836%0.358SS..  trans-96.5114.1174.1-55.50000109.7
231I96.4Very high91.2Very high24 Ų2458.8 Ų58.812%0.12334%0.336CS..  trans-107.6134.3173.4-58.3-54.7000108.6W211 V229 Q239 N242 V243 Q246W211-I231 HydrophobicContact CB-CB 3.69Å; W211-I231 HydrophobicContact CB-CG1 3.81Å; W211-I231 HydrophobicContact CB-CG2 3.97Å; W211-I231 HydrophobicContact CD2-CG1 3.74Å; W211-I231 HydrophobicContact CE3-CG1 4.39Å; W211-I231 HydrophobicContact CG-CB 3.8Å; W211-I231 HydrophobicContact CG-CG1 3.44Å; W211-I231 VanDerWaalsContact CG-CG1 3.44Å; V229-I231 HydrophobicContact CG1-CD1 3.7Å; V229-I231 HydrophobicContact CG1-CG1 4.01Å; I231-Q239 HydrophobicContact CG2-CB 3.88Å; I231-Q239 HydrophobicContact CG2-CG 4.09Å; I231-N242 VanDerWaalsContact CA-OD1 3.25Å; I231-N242 WeakPolarHBondContact CA-OD1 3.35Å; I231-N242 HydrophobicContact CG2-CB 4.24Å; I231-V243 HydrophobicContact CD1-CB 4.39Å; I231-V243 HydrophobicContact CD1-CG2 3.77Å; I231-V243 HydrophobicContact CG1-CG2 3.91Å; I231-V243 HydrophobicContact CG2-CG2 3.91Å; I231-Q246 HydrophobicContact CD1-CB 3.93Å; I231-Q246 HydrophobicContact CD1-CG 4.32Å
232F95.2Very high92.5Very high128 Ų12857.4 Ų57.456%0.56131%0.314SS*.  trans-122.2155.2-176.8-50.8-83.4000111.2N242F232-N242 PolarHBondContact N-OD1 3.36Å; F232-N242 VanDerWaalsContact O-CB 3.26Å; F232-N242 WeakPolarHBondContact O-CB 3.46Å
233G95.8Very high93.5Very high36 Ų3655.4 Ų55.437%0.37130%0.3SS..  trans130.7149.8179.200000112Q239G233-Q239 WeakPolarHBondContact O-CG 3.34Å; G233-Q239 PolarHBondContact O-NE2 2.84Å
234E95.2Very high94.6Very high192 Ų19252.6 Ų52.690%0.89728%0.282SS*.SBendtrans-91.9-27-178.6-62.7-175.5171.400112.4
235T96.3Very high95.5Very high28 Ų2850.7 Ų50.717%0.17228%0.276CS..SBendtrans-109.5165.1-175.965.40000111.6E237 D238 Q239T235-E237 PolarHBondContact O-N 3.15Å; T235-D238 PolarHBondContact O-N 3.04Å; T235-D238 WeakPolarHBondContact OG1-CB 3.4Å; T235-D238 PolarHBondContact OG1-N 3.38Å; T235-D238 VanDerWaalsContact OG1-N 3.11Å; T235-D238 PolarHBondContact OG1-OD2 3.01Å; T235-Q239 PolarHBondContact O-N 3.37Å
236F97Very high96.1Very high20 Ų2052.1 Ų52.19%0.08828%0.276CS..Hα-helixtrans-56-44172.9177.4-90.5000110.6V19 L209 Q239 L240 R260 S277 A279V19-F236 HydrophobicContact CG2-CD1 4.31Å; V19-F236 HydrophobicContact CG2-CE1 3.9Å; L209-F236 HydrophobicContact CB-CD2 3.86Å; L209-F236 HydrophobicContact CB-CE2 4.14Å; L209-F236 HydrophobicContact CD1-CD2 3.76Å; L209-F236 HydrophobicContact CD1-CE2 3.73Å; L209-F236 HydrophobicContact CD1-CG 4.31Å; L209-F236 HydrophobicContact CD1-CZ 4.26Å; L209-F236 HydrophobicContact CG-CD2 4.37Å; L209-F236 HydrophobicContact CG-CE2 4.31Å; F236-Q239 PolarHBondContact O-N 3.45Å; F236-L240 HydrophobicContact CE1-CD2 4.15Å; F236-L240 VanDerWaalsContact O-CB 3.22Å; F236-L240 WeakPolarHBondContact O-CB 3.23Å; F236-L240 PolarHBondContact O-N 3.45Å; F236-R260 HydrophobicContact CD2-CG 4.47Å; F236-R260 HydrophobicContact CE1-CB 3.93Å; F236-R260 HydrophobicContact CE1-CG 3.97Å; F236-R260 HydrophobicContact CE2-CG 3.85Å; F236-R260 HydrophobicContact CZ-CB 3.76Å; F236-R260 HydrophobicContact CZ-CG 3.56Å; F236-S277 VanDerWaalsContact CD2-OG 3.3Å; F236-S277 WeakPolarHBondContact CD2-OG 3.39Å; F236-S277 WeakPolarHBondContact CE2-OG 3.47Å; F236-A279 HydrophobicContact CE2-CB 4.17Å; F236-A279 HydrophobicContact CZ-CB 3.7Å
237E98.1Very high96.4Very high14 Ų1446.7 Ų46.77%0.06525%0.251CS..Hα-helixtrans-63.9-43.5179.9-66.870.9-155.800112V19 D20 R23 L24 T235 L240 K241V19-E237 WeakPolarHBondContact CA-OE1 3.31Å; V19-E237 HydrophobicContact CG1-CG 3.86Å; D20-E237 HydrophobicContact CB-CG 4.1Å; D20-E237 PolarHBondContact N-OE1 3.14Å; D20-E237 WeakPolarHBondContact O-CG 3.4Å; R23-E237 HydrophobicContact CB-CB 3.94Å; R23-E237 HydrophobicContact CB-CG 4.04Å; L24-E237 HydrophobicContact CD2-CB 3.98Å; L24-E237 HydrophobicContact CD2-CG 4.04Å; L24-E237 HydrophobicContact CG-CG 4.47Å; T235-E237 PolarHBondContact O-N 3.15Å; E237-L240 PolarHBondContact O-N 2.84Å; E237-K241 VanDerWaalsContact O-CE 3.25Å; E237-K241 WeakPolarHBondContact O-CE 3.34Å; E237-K241 WeakPolarHBondContact O-CG 3.35Å; E237-K241 PolarHBondContact O-N 2.94Å
238D97.2Very high96.6Very high49 Ų4944.6 Ų44.626%0.26224%0.241SC..Hα-helixtrans-63.6-46.5177.8-65.9-40000111.8T235 K241 N242T235-D238 PolarHBondContact O-N 3.04Å; T235-D238 WeakPolarHBondContact OG1-CB 3.4Å; T235-D238 PolarHBondContact OG1-N 3.38Å; T235-D238 VanDerWaalsContact OG1-N 3.11Å; T235-D238 PolarHBondContact OG1-OD2 3.01Å; D238-K241 PolarHBondContact O-N 2.91Å; D238-K241 WeakPolarHBondContact OD1-CE 3.39Å; D238-K241 IonicContact OD1-NZ 2.84Å; D238-K241 PolarHBondContact OD1-NZ 2.85Å; D238-N242 WeakPolarHBondContact O-CB 3.37Å; D238-N242 PolarHBondContact O-N 3.38Å
239Q97.7Very high96.8Very high23 Ų2342.9 Ų42.911%0.10723%0.233CC..Hα-helixtrans-70.3-35.6178.2-65.8-160.92100112.5L209 I231 G233 T235 F236 K241 N242 V243L209-Q239 HydrophobicContact CD1-CB 4.06Å; L209-Q239 HydrophobicContact CD2-CB 3.78Å; L209-Q239 HydrophobicContact CG-CB 4.42Å; I231-Q239 HydrophobicContact CG2-CB 3.88Å; I231-Q239 HydrophobicContact CG2-CG 4.09Å; G233-Q239 WeakPolarHBondContact O-CG 3.34Å; G233-Q239 PolarHBondContact O-NE2 2.84Å; T235-Q239 PolarHBondContact O-N 3.37Å; F236-Q239 PolarHBondContact O-N 3.45Å; Q239-K241 PolarHBondContact O-N 3.01Å; Q239-N242 CarbonylContact O-C 3.57Å; Q239-N242 PolarHBondContact O-N 2.98Å; Q239-N242 VanDerWaalsContact O-N 3.16Å; Q239-V243 WeakPolarHBondContact O-CB 3.2Å; Q239-V243 WeakPolarHBondContact O-CG2 3.34Å; Q239-V243 PolarHBondContact O-N 3.38Å
240L98.3Very high97Very high0 Ų047.1 Ų47.10%026%0.261CS..Hα-helixtrans-57.7-50.1173.717260.7000111.1L24 L209 F236 E237 N242 V243 I244 F258 A279 L281L24-L240 HydrophobicContact CD2-CD2 4.19Å; L209-L240 HydrophobicContact CD1-CB 4.1Å; F236-L240 HydrophobicContact CE1-CD2 4.15Å; F236-L240 VanDerWaalsContact O-CB 3.22Å; F236-L240 WeakPolarHBondContact O-CB 3.23Å; F236-L240 PolarHBondContact O-N 3.45Å; E237-L240 PolarHBondContact O-N 2.84Å; L240-N242 VanDerWaalsContact C-N 3.27Å; L240-N242 PolarHBondContact O-N 3.22Å; L240-V243 PolarHBondContact O-N 2.9Å; L240-I244 HydrophobicContact CD1-CD1 4.11Å; L240-I244 HydrophobicContact CD1-CG1 4.49Å; L240-I244 HydrophobicContact CG-CD1 4.19Å; L240-I244 WeakPolarHBondContact O-CG1 3.46Å; L240-I244 PolarHBondContact O-N 3.37Å; L240-F258 HydrophobicContact CD2-CD2 3.64Å; L240-F258 HydrophobicContact CD2-CE2 3.33Å; L240-F258 HydrophobicContact CD2-CZ 4.05Å; L240-A279 HydrophobicContact CD1-CB 3.78Å; L240-L281 HydrophobicContact CD1-CD2 3.92Å
241K97.5Very high97.1Very high44 Ų4444.7 Ų44.719%0.19125%0.245CC..Hα-helixtrans-58.3-43.5174.9-70.4173.3-58.6-168.80111.1R23 L24 L29 E237 D238 Q239 I244 V245R23-K241 PolarHBondContact O-NZ 2.93Å; L24-K241 HydrophobicContact CD2-CG 4.49Å; L24-K241 WeakPolarHBondContact O-CD 3.28Å; L29-K241 HydrophobicContact CD2-CG 4.22Å; E237-K241 VanDerWaalsContact O-CE 3.25Å; E237-K241 WeakPolarHBondContact O-CE 3.34Å; E237-K241 WeakPolarHBondContact O-CG 3.35Å; E237-K241 PolarHBondContact O-N 2.94Å; D238-K241 PolarHBondContact O-N 2.91Å; D238-K241 WeakPolarHBondContact OD1-CE 3.39Å; D238-K241 IonicContact OD1-NZ 2.84Å; D238-K241 PolarHBondContact OD1-NZ 2.85Å; Q239-K241 PolarHBondContact O-N 3.01Å; K241-I244 PolarHBondContact O-N 3.19Å; K241-V245 WeakPolarHBondContact O-CG2 3.35Å; K241-V245 PolarHBondContact O-N 3.48Å
242N97.2Very high97.2Very high31 Ų3144.5 Ų44.517%0.16625%0.249CC..Hα-helixtrans-68.3-38.5-177.6-162-106.5000112.1I231 F232 D238 Q239 L240 I244 V245 Q246I231-N242 VanDerWaalsContact CA-OD1 3.25Å; I231-N242 WeakPolarHBondContact CA-OD1 3.35Å; I231-N242 HydrophobicContact CG2-CB 4.24Å; F232-N242 PolarHBondContact N-OD1 3.36Å; F232-N242 VanDerWaalsContact O-CB 3.26Å; F232-N242 WeakPolarHBondContact O-CB 3.46Å; D238-N242 WeakPolarHBondContact O-CB 3.37Å; D238-N242 PolarHBondContact O-N 3.38Å; Q239-N242 CarbonylContact O-C 3.57Å; Q239-N242 PolarHBondContact O-N 2.98Å; Q239-N242 VanDerWaalsContact O-N 3.16Å; L240-N242 VanDerWaalsContact C-N 3.27Å; L240-N242 PolarHBondContact O-N 3.22Å; N242-I244 VanDerWaalsContact C-N 3.34Å; N242-I244 PolarHBondContact O-N 3.45Å; N242-V245 PolarHBondContact O-N 3.4Å; N242-Q246 WeakPolarHBondContact O-CB 3.34Å; N242-Q246 WeakPolarHBondContact O-CG 3.46Å; N242-Q246 PolarHBondContact O-N 2.91Å
243V98Very high97.4Very high0 Ų038.6 Ų38.60%022%0.223CC..Hα-helixtrans-56.8-48.1170.3164.70000110.6V207 L209 I231 Q239 L240 V245 Q246 L247 F248V207-V243 HydrophobicContact CG2-CG1 4.2Å; V207-V243 HydrophobicContact CG2-CG2 4.44Å; L209-V243 HydrophobicContact CD2-CG2 4.08Å; I231-V243 HydrophobicContact CD1-CB 4.39Å; I231-V243 HydrophobicContact CD1-CG2 3.77Å; I231-V243 HydrophobicContact CG1-CG2 3.91Å; I231-V243 HydrophobicContact CG2-CG2 3.91Å; Q239-V243 WeakPolarHBondContact O-CB 3.2Å; Q239-V243 WeakPolarHBondContact O-CG2 3.34Å; Q239-V243 PolarHBondContact O-N 3.38Å; L240-V243 PolarHBondContact O-N 2.9Å; V243-V245 VanDerWaalsContact C-N 3.34Å; V243-V245 PolarHBondContact O-N 2.92Å; V243-Q246 PolarHBondContact O-N 3.14Å; V243-L247 HydrophobicContact CG1-CD1 4.33Å; V243-L247 WeakPolarHBondContact O-CB 3.31Å; V243-L247 PolarHBondContact O-N 2.99Å; V243-F248 HydrophobicContact CG1-CD2 4.06Å; V243-F248 HydrophobicContact CG1-CE2 3.41Å; V243-F248 VanDerWaalsContact CG1-CE2 3.41Å; V243-F248 HydrophobicContact CG1-CZ 3.69Å
244I97.9Very high97.5Very high21 Ų2139.7 Ų39.711%0.10822%0.218CC..Iπ-helixtrans-58.6-48.8178.9-65.9161.9000110.3L29 L240 K241 N242 F248 S249 V255 L281L29-I244 HydrophobicContact CD1-CD1 3.85Å; L29-I244 HydrophobicContact CD2-CD1 3.77Å; L29-I244 HydrophobicContact CG-CD1 4.5Å; L240-I244 HydrophobicContact CD1-CD1 4.11Å; L240-I244 HydrophobicContact CD1-CG1 4.49Å; L240-I244 HydrophobicContact CG-CD1 4.19Å; L240-I244 WeakPolarHBondContact O-CG1 3.46Å; L240-I244 PolarHBondContact O-N 3.37Å; K241-I244 PolarHBondContact O-N 3.19Å; N242-I244 VanDerWaalsContact C-N 3.34Å; N242-I244 PolarHBondContact O-N 3.45Å; I244-F248 HydrophobicContact CG1-CD2 4.07Å; I244-F248 PolarHBondContact O-N 3.5Å; I244-F248 VanDerWaalsContact O-N 3.15Å; I244-S249 PolarHBondContact O-N 3.17Å; I244-S249 PolarHBondContact O-OG 3.38Å; I244-V255 HydrophobicContact CD1-CG2 3.85Å; I244-V255 HydrophobicContact CG1-CG2 3.9Å; I244-V255 HydrophobicContact CG2-CG2 4.35Å; I244-L281 HydrophobicContact CD1-CD2 4.31Å; I244-L281 HydrophobicContact CG1-CD2 4.12Å
245V96.6Very high97.6Very high89 Ų8930.7 Ų30.754%0.53918%0.176SC..Iπ-helixtrans-71-32.8-177.3173.80000113.1K241 N242 V243 P250K241-V245 WeakPolarHBondContact O-CG2 3.35Å; K241-V245 PolarHBondContact O-N 3.48Å; N242-V245 PolarHBondContact O-N 3.4Å; V243-V245 VanDerWaalsContact C-N 3.34Å; V243-V245 PolarHBondContact O-N 2.92Å; V245-P250 WeakPolarHBondContact O-CD 3.49Å; V245-P250 WeakPolarHBondContact O-CG 3.47Å
246Q96.9Very high97.7Very high63 Ų6332.1 Ų32.129%0.29418%0.181SC..Iπ-helixtrans-90.8-27.7-175.4-68-61.8-29.800113.9I231 N242 V243I231-Q246 HydrophobicContact CD1-CB 3.93Å; I231-Q246 HydrophobicContact CD1-CG 4.32Å; N242-Q246 WeakPolarHBondContact O-CB 3.34Å; N242-Q246 WeakPolarHBondContact O-CG 3.46Å; N242-Q246 PolarHBondContact O-N 2.91Å; V243-Q246 PolarHBondContact O-N 3.14Å
247L97.4Very high97.8Very high3 Ų335.7 Ų35.72%0.01619%0.194CC..Iπ-helixtrans-116.2-58.2-175.4-71.8176.6000112.6R186 L189 W211 V229 V243 A251R186-L247 HydrophobicContact CG-CD2 4.35Å; L189-L247 HydrophobicContact CD1-CB 3.88Å; L189-L247 HydrophobicContact CD1-CD2 3.91Å; L189-L247 HydrophobicContact CD1-CG 4.43Å; W211-L247 HydrophobicContact CH2-CD1 3.89Å; W211-L247 HydrophobicContact CZ2-CD1 4.44Å; W211-L247 HydrophobicContact CZ3-CD1 4.14Å; V229-L247 HydrophobicContact CB-CD2 4.38Å; V229-L247 HydrophobicContact CG1-CD1 3.96Å; V229-L247 HydrophobicContact CG1-CD2 3.71Å; V229-L247 HydrophobicContact CG1-CG 3.81Å; V229-L247 HydrophobicContact CG2-CD2 3.72Å; V243-L247 HydrophobicContact CG1-CD1 4.33Å; V243-L247 WeakPolarHBondContact O-CB 3.31Å; V243-L247 PolarHBondContact O-N 2.99Å; L247-A251 WeakPolarHBondContact O-CB 3.46Å; L247-A251 PolarHBondContact O-N 3.21Å
248F98.4Very high97.8Very high0 Ų035 Ų350%019%0.191CC..Iπ-helixtrans-79.8-48.8-166.2-55.3-36000113.2L179 L189 V205 V207 V243 I244 A251 G252 F253 L281 L283L179-F248 HydrophobicContact CD1-CE1 3.78Å; L179-F248 HydrophobicContact CD1-CZ 4.3Å; L189-F248 HydrophobicContact CD1-CD1 4.5Å; L189-F248 HydrophobicContact CD2-CD1 4.19Å; L189-F248 HydrophobicContact CD2-CE1 4.27Å; V205-F248 HydrophobicContact CB-CZ 4.42Å; V205-F248 HydrophobicContact CG1-CE1 3.99Å; V205-F248 HydrophobicContact CG1-CZ 3.7Å; V207-F248 HydrophobicContact CG1-CZ 4.39Å; V243-F248 HydrophobicContact CG1-CD2 4.06Å; V243-F248 HydrophobicContact CG1-CE2 3.41Å; V243-F248 VanDerWaalsContact CG1-CE2 3.41Å; V243-F248 HydrophobicContact CG1-CZ 3.69Å; I244-F248 HydrophobicContact CG1-CD2 4.07Å; I244-F248 PolarHBondContact O-N 3.5Å; I244-F248 VanDerWaalsContact O-N 3.15Å; F248-A251 CarbonylContact O-C 3.52Å; F248-A251 PolarHBondContact O-N 3.24Å; F248-G252 PolarHBondContact O-N 3.46Å; F248-F253 CarbonylContact C-O 3.42Å; F248-F253 HydrophobicContact CB-CB 4.32Å; F248-F253 PolarHBondContact O-N 2.92Å; F248-L281 HydrophobicContact CD2-CD2 4.18Å; F248-L281 HydrophobicContact CE2-CD1 3.82Å; F248-L281 HydrophobicContact CE2-CD2 3.84Å; F248-L281 HydrophobicContact CE2-CG 4.36Å; F248-L281 HydrophobicContact CZ-CD1 4.29Å; F248-L283 HydrophobicContact CB-CD1 4.39Å; F248-L283 HydrophobicContact CD1-CD1 3.71Å; F248-L283 HydrophobicContact CD2-CD1 4.13Å; F248-L283 HydrophobicContact CD2-CD2 4.22Å; F248-L283 HydrophobicContact CE1-CD1 3.97Å; F248-L283 HydrophobicContact CE2-CD1 4.35Å; F248-L283 HydrophobicContact CG-CD1 3.82Å; F248-L283 HydrophobicContact CG-CD2 4.48Å; F248-L283 HydrophobicContact CZ-CD1 4.29Å
249S97.5Very high97.9Very high65 Ų6532.7 Ų32.746%0.45518%0.178SC..THydrogen-bonded Turntrans-60.8-46.4178.8-54.30000112.3I244 A251 G252I244-S249 PolarHBondContact O-N 3.17Å; I244-S249 PolarHBondContact O-OG 3.38Å; S249-A251 VanDerWaalsContact C-N 3.27Å; S249-A251 PolarHBondContact O-N 2.88Å; S249-G252 PolarHBondContact O-N 3.48Å
250P97.6Very high97.9Very high95 Ų9534.2 Ų34.262%0.61718%0.183SC*.THydrogen-bonded Turntrans-66.6-28.8176.3-2134.8000113.3V245 G252V245-P250 WeakPolarHBondContact O-CD 3.49Å; V245-P250 WeakPolarHBondContact O-CG 3.47Å; P250-G252 PolarHBondContact O-N 3.14Å
251A98Very high97.9Very high14 Ų1434.3 Ų34.312%0.11618%0.184CC..THydrogen-bonded Turntrans-74-5.7173.100000113L189 R193 L247 F248 S249 F253L189-A251 HydrophobicContact CB-CB 3.75Å; L189-A251 HydrophobicContact CD1-CB 4.26Å; L189-A251 HydrophobicContact CG-CB 4.47Å; R193-A251 WeakPolarHBondContact CD-O 3.4Å; L247-A251 WeakPolarHBondContact O-CB 3.46Å; L247-A251 PolarHBondContact O-N 3.21Å; F248-A251 CarbonylContact O-C 3.52Å; F248-A251 PolarHBondContact O-N 3.24Å; S249-A251 VanDerWaalsContact C-N 3.27Å; S249-A251 PolarHBondContact O-N 2.88Å; A251-F253 HydrophobicContact CB-CD2 3.92Å; A251-F253 HydrophobicContact CB-CE2 4.34Å
252G98.4Very high97.8Very high19 Ų1932.3 Ų32.320%0.19618%0.175CC..THydrogen-bonded Turntrans83.829.5178.700000113.9F248 S249 P250 A286F248-G252 PolarHBondContact O-N 3.46Å; S249-G252 PolarHBondContact O-N 3.48Å; P250-G252 PolarHBondContact O-N 3.14Å; G252-A286 PolarHBondContact O-N 3.28Å
253F98.7Very high97.4Very high4 Ų432 Ų322%0.01817%0.172CC..EExtended strand (participates in β ladder)trans-111.8147173.5-70-79.7000111.4L192 R193 C196 L203 F248 A251 L283 K284 V285L192-F253 HydrophobicContact CB-CZ 4.36Å; R193-F253 VanDerWaalsContact CA-CZ 3.46Å; R193-F253 HydrophobicContact CB-CE2 3.73Å; R193-F253 HydrophobicContact CB-CZ 3.72Å; R193-F253 HydrophobicContact CG-CZ 4.47Å; C196-F253 HydrophobicContact CB-CE1 4.31Å; L203-F253 HydrophobicContact CB-CE1 4.14Å; L203-F253 HydrophobicContact CD2-CD1 4.32Å; L203-F253 HydrophobicContact CD2-CD2 4.49Å; L203-F253 HydrophobicContact CD2-CE1 3.75Å; L203-F253 HydrophobicContact CD2-CE2 3.92Å; L203-F253 HydrophobicContact CD2-CZ 3.5Å; F248-F253 CarbonylContact C-O 3.42Å; F248-F253 HydrophobicContact CB-CB 4.32Å; F248-F253 PolarHBondContact O-N 2.92Å; A251-F253 HydrophobicContact CB-CD2 3.92Å; A251-F253 HydrophobicContact CB-CE2 4.34Å; F253-L283 HydrophobicContact CB-CB 4.3Å; F253-L283 HydrophobicContact CB-CD1 4.38Å; F253-L283 HydrophobicContact CD1-CB 4.06Å; F253-L283 HydrophobicContact CG-CB 4.41Å; F253-L283 HydrophobicContact CG-CD1 4.5Å; F253-K284 CarbonylContact C-O 3.58Å; F253-K284 VanDerWaalsContact CA-O 3.3Å; F253-K284 WeakPolarHBondContact CA-O 3.38Å; F253-V285 HydrophobicContact CD1-CG2 4.25Å; F253-V285 HydrophobicContact CE1-CG2 3.81Å
254H97.6Very high97Very high59 Ų5932 Ų3227%0.27317%0.172SC..EExtended strand (participates in β ladder)trans-113.6150.1162.466.4-84.8000109.9L283 K284 V285H254-L283 WeakPolarHBondContact O-CA 3.15Å; H254-K284 PolarHBondContact N-O 2.87Å; H254-K284 PolarHBondContact ND1-O 2.98Å; H254-K284 VanDerWaalsContact ND1-O 3.14Å; H254-K284 PolarHBondContact O-N 2.95Å; H254-V285 PolarHBondContact CE1-O 3.28Å
255V98.5Very high96.3Very high3 Ų332.8 Ų32.82%0.01818%0.178CC..EExtended strand (participates in β ladder)trans-73.5123.9173.2-179.60000107.9L29 R32 I244 R257 F258 L281 L283L29-V255 HydrophobicContact CD1-CB 4.46Å; L29-V255 HydrophobicContact CD1-CG1 4.34Å; R32-V255 WeakPolarHBondContact CD-O 3.43Å; R32-V255 PolarHBondContact NE-O 3.04Å; R32-V255 PolarHBondContact NH1-O 3.34Å; I244-V255 HydrophobicContact CD1-CG2 3.85Å; I244-V255 HydrophobicContact CG1-CG2 3.9Å; I244-V255 HydrophobicContact CG2-CG2 4.35Å; V255-R257 WeakPolarHBondContact CG1-O 3.23Å; V255-F258 HydrophobicContact CG1-CB 4.04Å; V255-F258 HydrophobicContact CG1-CD1 4.23Å; V255-L281 HydrophobicContact CG1-CD2 4.28Å; V255-L281 HydrophobicContact CG2-CD2 3.72Å; V255-L283 HydrophobicContact CB-CD2 4.24Å; V255-L283 HydrophobicContact CG2-CD2 3.77Å
256E97.9Very high95.5Very high58 Ų5829.6 Ų29.627%0.27116%0.158SC..EExtended strand (participates in β ladder)trans-86.7-43.7167.9-83.1-172.4137.900110.6R32 H202 L282 K284R32-E256 WeakPolarHBondContact CB-O 3.49Å; R32-E256 WeakPolarHBondContact CD-O 3.41Å; R32-E256 VanDerWaalsContact CG-O 3.3Å; R32-E256 WeakPolarHBondContact CG-O 3.34Å; H202-E256 IonicContact CD2-OE2 2.92Å; H202-E256 PolarHBondContact CD2-OE2 3.05Å; H202-E256 IonicContact NE2-OE1 3.74Å; H202-E256 IonicContact NE2-OE2 3.91Å; H202-E256 PolarHBondContact NE2-OE2 3.33Å; E256-L282 PolarHBondContact N-O 2.86Å; E256-K284 HydrophobicContact CG-CB 3.92Å; E256-K284 HydrophobicContact CG-CD 4.25Å; E256-K284 WeakPolarHBondContact OE1-CD 3.3Å; E256-K284 IonicContact OE1-NZ 3.13Å; E256-K284 PolarHBondContact OE1-NZ 2.93Å; E256-K284 VanDerWaalsContact OE1-NZ 3.13Å
257R98.4Very high94.6Very high95 Ų9527.1 Ų27.136%0.35815%0.15SC..EExtended strand (participates in β ladder)trans-147.5153.4178.4-64.7177.9-179.2179.21.6110.1R32 V34 S97 L98 V255 L282R32-R257 CarbonylContact O-C 3.55Å; R32-R257 WeakPolarHBondContact O-CA 3.41Å; V34-R257 HydrophobicContact CG2-CB 4.18Å; V34-R257 HydrophobicContact CG2-CG 4.44Å; S97-R257 PolarHBondContact O-NH1 3.47Å; L98-R257 HydrophobicContact CD1-CB 3.83Å; L98-R257 WeakPolarHBondContact O-CD 3.3Å; L98-R257 PolarHBondContact O-NH1 3.41Å; L98-R257 VanDerWaalsContact O-NH1 3.08Å; V255-R257 WeakPolarHBondContact CG1-O 3.23Å; R257-L282 HydrophobicContact CB-CB 4.3Å; R257-L282 PolarHBondContact N-O 3.34Å; R257-L282 PolarHBondContact O-N 2.85Å
258F98.7Very high93.5Very high0 Ų029.8 Ų29.80%016%0.164CC..EExtended strand (participates in β ladder)trans-149.1162.6170.878.4-76.1000111.7V19 L24 L29 R32 F33 V34 L240 V255 V280 L281V19-F258 HydrophobicContact CG1-CE2 4.37Å; V19-F258 HydrophobicContact CG2-CE2 4.37Å; L24-F258 HydrophobicContact CD1-CZ 3.88Å; L29-F258 HydrophobicContact CD1-CD1 3.89Å; L29-F258 HydrophobicContact CD1-CE1 3.73Å; L29-F258 HydrophobicContact CD1-CZ 4.49Å; L29-F258 HydrophobicContact CG-CE1 4Å; L29-F258 HydrophobicContact CG-CZ 4.43Å; L29-F258 VanDerWaalsContact O-CE1 3.3Å; L29-F258 WeakPolarHBondContact O-CE1 3.32Å; R32-F258 HydrophobicContact CB-CD1 4.21Å; R32-F258 HydrophobicContact CB-CE1 4.44Å; R32-F258 PolarHBondContact O-N 2.9Å; F33-F258 CarbonylContact C-O 3.52Å; F33-F258 WeakPolarHBondContact CA-O 3.22Å; F33-F258 HydrophobicContact CB-CD1 4.47Å; F33-F258 HydrophobicContact CB-CE1 3.64Å; F33-F258 HydrophobicContact CB-CE2 4.34Å; F33-F258 HydrophobicContact CB-CZ 3.58Å; F33-F258 HydrophobicContact CD2-CD2 4.17Å; F33-F258 HydrophobicContact CD2-CE1 4.38Å; F33-F258 AromaticContact CD2-CE2 3.64Å; F33-F258 HydrophobicContact CD2-CE2 3.64Å; F33-F258 AromaticContact CD2-CZ 3.77Å; F33-F258 HydrophobicContact CD2-CZ 3.77Å; F33-F258 HydrophobicContact CE2-CE2 4.45Å; F33-F258 HydrophobicContact CG-CE1 4.47Å; F33-F258 HydrophobicContact CG-CE2 4.33Å; F33-F258 HydrophobicContact CG-CZ 4Å; V34-F258 PolarHBondContact N-O 2.87Å; L240-F258 HydrophobicContact CD2-CD2 3.64Å; L240-F258 HydrophobicContact CD2-CE2 3.33Å; L240-F258 HydrophobicContact CD2-CZ 4.05Å; V255-F258 HydrophobicContact CG1-CB 4.04Å; V255-F258 HydrophobicContact CG1-CD1 4.23Å; F258-V280 CarbonylContact C-O 3.5Å; F258-V280 WeakPolarHBondContact CA-O 3.5Å; F258-V280 WeakPolarHBondContact CB-O 3.31Å; F258-L281 HydrophobicContact CB-CB 4.31Å; F258-L281 HydrophobicContact CB-CD2 4.26Å; F258-L281 HydrophobicContact CB-CG 3.98Å
259T98.6Very high92.2Very high0 Ų035.1 Ų35.10%019%0.19CC..EExtended strand (participates in β ladder)trans-146.4168.2172.4-169.40000110.5V34 M36 L98 L261 V280V34-T259 VanDerWaalsContact O-CB 3.24Å; V34-T259 WeakPolarHBondContact O-CB 3.23Å; V34-T259 PolarHBondContact O-OG1 3.2Å; M36-T259 HydrophobicContact CE-CG2 4.2Å; M36-T259 HydrophobicContact CG-CG2 4.2Å; M36-T259 WeakPolarHBondContact CG-OG1 3.4Å; L98-T259 HydrophobicContact CD1-CG2 4.38Å; L98-T259 HydrophobicContact CD2-CG2 4.33Å; T259-L261 HydrophobicContact CG2-CD1 3.72Å; T259-L261 HydrophobicContact CG2-CD2 4.47Å; T259-L261 HydrophobicContact CG2-CG 3.78Å; T259-V280 HydrophobicContact CG2-CB 4.11Å; T259-V280 PolarHBondContact N-O 3.44Å; T259-V280 PolarHBondContact O-N 2.63Å
260R98.4Very high90.9Very high55 Ų5541.3 Ų41.321%0.20820%0.204CC..EExtended strand (participates in β ladder)trans-106.3128.2168.9-179-176.5-176.2-179.91.8108Y17 S18 V19 F236 S277 S278Y17-R260 WeakPolarHBondContact CA-O 3.13Å; S18-R260 WeakPolarHBondContact O-CD 3.27Å; S18-R260 PolarHBondContact O-NH1 2.73Å; V19-R260 HydrophobicContact CG2-CB 3.63Å; F236-R260 HydrophobicContact CD2-CG 4.47Å; F236-R260 HydrophobicContact CE1-CB 3.93Å; F236-R260 HydrophobicContact CE1-CG 3.97Å; F236-R260 HydrophobicContact CE2-CG 3.85Å; F236-R260 HydrophobicContact CZ-CB 3.76Å; F236-R260 HydrophobicContact CZ-CG 3.56Å; R260-S277 PolarHBondContact NE-OG 3.35Å; R260-S277 PolarHBondContact NH2-OG 3.08Å; R260-S277 VanDerWaalsContact NH2-OG 3.15Å; R260-S278 WeakPolarHBondContact CA-O 3.39Å
261L97.7Very high89.8Confident3 Ų341.1 Ų41.12%0.01619%0.193CC..EExtended strand (participates in β ladder)trans-130.1144.8179.4-70.4166.8000110.4Y17 M36 L89 F90 T259 Y263 S278 V280Y17-L261 HydrophobicContact CD1-CD2 3.76Å; Y17-L261 HydrophobicContact CE1-CD2 3.65Å; M36-L261 HydrophobicContact CB-CD2 4.19Å; M36-L261 HydrophobicContact CG-CD2 4.16Å; L89-L261 HydrophobicContact CD1-CB 4.27Å; L89-L261 WeakPolarHBondContact O-CB 3.44Å; F90-L261 HydrophobicContact CB-CD1 3.85Å; F90-L261 HydrophobicContact CD1-CD1 4.34Å; T259-L261 HydrophobicContact CG2-CD1 3.72Å; T259-L261 HydrophobicContact CG2-CD2 4.47Å; T259-L261 HydrophobicContact CG2-CG 3.78Å; L261-Y263 PolarHBondContact O-N 3.34Å; L261-S278 PolarHBondContact N-O 2.83Å; L261-S278 PolarHBondContact O-N 2.84Å; L261-V280 HydrophobicContact CB-CG2 4.21Å; L261-V280 HydrophobicContact CD1-CB 4.09Å; L261-V280 HydrophobicContact CD1-CG2 3.62Å; L261-V280 HydrophobicContact CG-CG2 4.29Å
262P94.9Very high89.1Confident2 Ų242.2 Ų42.21%0.01320%0.197CC..EExtended strand (participates in β ladder)trans-70.3116.2167.431-32.7000108.4W16 Y17 L264 M275W16-P262 HydrophobicContact CB-CB 4.27Å; W16-P262 HydrophobicContact CB-CG 4.32Å; W16-P262 HydrophobicContact CE3-CB 4.08Å; W16-P262 HydrophobicContact CE3-CG 4.02Å; Y17-P262 HydrophobicContact CE1-CG 4Å; P262-L264 HydrophobicContact CB-CD2 4.04Å; P262-L264 HydrophobicContact CB-CG 4.04Å; P262-L264 HydrophobicContact CG-CD1 4.39Å; P262-L264 HydrophobicContact CG-CG 4.39Å; P262-L264 PolarHBondContact O-N 2.82Å; P262-M275 HydrophobicContact CB-CE 4.17Å; P262-M275 HydrophobicContact CB-CG 3.9Å; P262-M275 HydrophobicContact CB-SD 4.07Å
263Y90.4Very high88.4Confident25 Ų2542.6 Ų42.610%0.09819%0.193CC..EExtended strand (participates in β ladder)trans-80.9103167.8-177.2-138.1000108.6M87 L89 I126 N177 V208 L261 M275 L276M87-Y263 HydrophobicContact CB-CE2 4.03Å; M87-Y263 WeakPolarHBondContact CE-OH 3.35Å; M87-Y263 HydrophobicContact SD-CE2 4.34Å; M87-Y263 PolarHBondContact SD-OH 3.48Å; L89-Y263 HydrophobicContact CB-CD2 4.19Å; L89-Y263 HydrophobicContact CD1-CD2 3.96Å; L89-Y263 HydrophobicContact CD1-CG 4.36Å; I126-Y263 HydrophobicContact CD1-CE2 4.23Å; N177-Y263 HydrophobicContact CB-CE1 4.36Å; N177-Y263 WeakPolarHBondContact ND2-CD1 3.35Å; N177-Y263 WeakPolarHBondContact ND2-CE1 3.49Å; N177-Y263 WeakPolarHBondContact ND2-CE2 3.25Å; V208-Y263 HydrophobicContact CG2-CD1 3.88Å; V208-Y263 HydrophobicContact CG2-CE1 4.49Å; L261-Y263 PolarHBondContact O-N 3.34Å; Y263-M275 WeakPolarHBondContact O-CA 3.43Å; Y263-L276 HydrophobicContact CD1-CB 4.45Å; Y263-L276 HydrophobicContact CD1-CD1 4.32Å; Y263-L276 PolarHBondContact N-O 2.86Å; Y263-L276 PolarHBondContact O-N 3.49Å
264L89.4Confident87.5Confident0 Ų047.4 Ų47.40%021%0.212CC..EExtended strand (participates in β ladder)trans-100144-172.8-60169.8000110.4T42 F45 L46 M87 F88 P262 F273 Y274 M275T42-L264 HydrophobicContact CG2-CD1 4.27Å; F45-L264 HydrophobicContact CD1-CB 4.13Å; F45-L264 HydrophobicContact CD1-CD1 4.09Å; F45-L264 HydrophobicContact CE1-CB 3.62Å; F45-L264 HydrophobicContact CE1-CD1 4.42Å; F45-L264 HydrophobicContact CZ-CB 4.49Å; L46-L264 HydrophobicContact CD2-CD1 3.87Å; L46-L264 HydrophobicContact CD2-CD2 4.36Å; L46-L264 HydrophobicContact CG-CD1 4.43Å; M87-L264 WeakPolarHBondContact CA-O 3.34Å; F88-L264 HydrophobicContact CB-CB 4.24Å; F88-L264 HydrophobicContact CD1-CD1 3.95Å; F88-L264 PolarHBondContact N-O 3.28Å; F88-L264 PolarHBondContact O-N 2.9Å; P262-L264 HydrophobicContact CB-CD2 4.04Å; P262-L264 HydrophobicContact CB-CG 4.04Å; P262-L264 HydrophobicContact CG-CD1 4.39Å; P262-L264 HydrophobicContact CG-CG 4.39Å; P262-L264 PolarHBondContact O-N 2.82Å; L264-F273 HydrophobicContact CD2-CD2 3.75Å; L264-F273 HydrophobicContact CD2-CE2 4.01Å; L264-Y274 WeakPolarHBondContact CA-O 3.49Å; L264-M275 HydrophobicContact CD2-CB 3.88Å; L264-M275 HydrophobicContact CD2-CE 3.83Å; L264-M275 HydrophobicContact CD2-CG 3.87Å
265C81.9Confident87Confident36 Ų3647.7 Ų47.724%0.24321%0.214CC..EExtended strand (participates in β ladder)trans-135.6142.4171.9-179.70000109.2G267 F273 Y274C265-G267 PolarHBondContact O-N 3.07Å; C265-F273 CarbonylContact O-C 3.58Å; C265-F273 VanDerWaalsContact O-CA 3.23Å; C265-F273 WeakPolarHBondContact O-CA 3.43Å; C265-F273 WeakPolarHBondContact O-CB 3.44Å; C265-Y274 PolarHBondContact N-O 3.41Å; C265-Y274 PolarHBondContact O-N 2.96Å
266E80.9Confident86.6Confident22 Ų2251.5 Ų51.510%0.10323%0.234CC..EExtended strand (participates in β ladder)trans-51.4135.9170.6-71.2178.916300111.2F45 L52 G85 A86F45-E266 HydrophobicContact CZ-CG 4.24Å; L52-E266 HydrophobicContact CD1-CG 4.35Å; L52-E266 WeakPolarHBondContact CD1-OE1 2.89Å; G85-E266 PolarHBondContact N-OE2 3.15Å; A86-E266 HydrophobicContact CB-CG 4.05Å; A86-E266 PolarHBondContact N-OE2 3.22Å; A86-E266 PolarHBondContact O-N 3.49Å; A86-E266 VanDerWaalsContact O-N 3.1Å
267G77.4Confident86.3Confident12 Ų1249.9 Ų49.912%0.12423%0.229CC..  trans-89.4-158.8-177.200000113.9C265 F271 N272C265-G267 PolarHBondContact O-N 3.07Å; G267-F271 CarbonylContact C-O 3.41Å; G267-F271 WeakPolarHBondContact CA-O 3.19Å; G267-N272 VanDerWaalsContact CA-O 3.32Å; G267-N272 WeakPolarHBondContact CA-O 3.3Å; G267-N272 PolarHBondContact N-O 3.24Å
268D73.4Confident86.2Confident58 Ų5845.4 Ų45.431%0.3121%0.212SC..  trans-125-157.4-17868.410.5000111.2S53 R270 F271 Y274S53-D268 WeakPolarHBondContact CB-O 3.37Å; D268-R270 PolarHBondContact O-N 3.14Å; D268-R270 WeakPolarHBondContact OD1-CA 3.34Å; D268-R270 VanDerWaalsContact OD1-CB 3.3Å; D268-R270 WeakPolarHBondContact OD1-CB 3.27Å; D268-R270 PolarHBondContact OD1-N 3.24Å; D268-F271 PolarHBondContact N-O 3.02Å; D268-F271 PolarHBondContact OD1-N 3.49Å; D268-Y274 VanDerWaalsContact CG-OH 3.31Å; D268-Y274 PolarHBondContact OD2-OH 3.35Å; D268-Y274 VanDerWaalsContact OD2-OH 3.07Å
269M71.4Confident86.2Confident113 Ų11345.4 Ų45.456%0.55721%0.212SC*.SBendtrans-71.5-15.2179.1-43.5-153.8-61.400113.1Q59 L63Q59-M269 HydrophobicContact CB-CG 4.29Å; Q59-M269 HydrophobicContact CB-SD 3.75Å; Q59-M269 HydrophobicContact CG-CG 3.99Å; Q59-M269 HydrophobicContact CG-SD 4.1Å; Q59-M269 PolarHBondContact OE1-SD 3.26Å; L63-M269 HydrophobicContact CD1-CE 4.09Å; L63-M269 HydrophobicContact CD1-SD 3.98Å
270R70.8Confident86.2Confident195 Ų19545.4 Ų45.474%0.73621%0.212SC*.SBendtrans-99.2-39.4-175.7-176178174.7-177.2-1111.5D268D268-R270 PolarHBondContact O-N 3.14Å; D268-R270 WeakPolarHBondContact OD1-CA 3.34Å; D268-R270 VanDerWaalsContact OD1-CB 3.3Å; D268-R270 WeakPolarHBondContact OD1-CB 3.27Å; D268-R270 PolarHBondContact OD1-N 3.24Å
271F74Confident86.2Confident90 Ų9042.8 Ų42.840%0.39520%0.202SC..  trans-126137.6179.9-59-74.6000109.9G267 D268 F273 Y274G267-F271 CarbonylContact C-O 3.41Å; G267-F271 WeakPolarHBondContact CA-O 3.19Å; D268-F271 PolarHBondContact N-O 3.02Å; D268-F271 PolarHBondContact OD1-N 3.49Å; F271-F273 VanDerWaalsContact C-N 3.32Å; F271-F273 PolarHBondContact O-N 2.93Å; F271-Y274 HydrophobicContact CB-CE1 4.29Å; F271-Y274 AromaticContact CD2-CE1 3.68Å; F271-Y274 HydrophobicContact CD2-CE1 3.68Å; F271-Y274 AromaticContact CD2-CZ 3.93Å; F271-Y274 HydrophobicContact CE2-CE1 4.35Å; F271-Y274 HydrophobicContact CG-CE1 4.23Å
272N82.8Confident86.2Confident38 Ų3843 Ų4320%0.20320%0.204CC..SBendtrans-64.9-40.5178-64.8-13.4000111.3C49 S53 G267C49-N272 WeakPolarHBondContact CB-O 3.3Å; S53-N272 WeakPolarHBondContact CB-OD1 3.2Å; S53-N272 PolarHBondContact OG-OD1 2.95Å; G267-N272 VanDerWaalsContact CA-O 3.32Å; G267-N272 WeakPolarHBondContact CA-O 3.3Å; G267-N272 PolarHBondContact N-O 3.24Å
273F84.3Confident86.4Confident27 Ų2743 Ų4312%0.11820%0.203CC..EExtended strand (participates in β ladder)trans-149.4160.8177.661.4-90000110Q10 W16 L46 C49 L264 C265 F271 M275Q10-F273 HydrophobicContact CB-CZ 4.34Å; W16-F273 HydrophobicContact CH2-CE2 4.23Å; W16-F273 AromaticContact CH2-CZ 3.99Å; W16-F273 HydrophobicContact CH2-CZ 3.99Å; L46-F273 HydrophobicContact CD2-CD1 3.7Å; L46-F273 HydrophobicContact CD2-CD2 4.19Å; L46-F273 HydrophobicContact CD2-CE1 3.71Å; L46-F273 HydrophobicContact CD2-CE2 4.19Å; L46-F273 HydrophobicContact CD2-CG 3.95Å; L46-F273 HydrophobicContact CD2-CZ 3.96Å; C49-F273 HydrophobicContact CB-CB 4.14Å; L264-F273 HydrophobicContact CD2-CD2 3.75Å; L264-F273 HydrophobicContact CD2-CE2 4.01Å; C265-F273 CarbonylContact O-C 3.58Å; C265-F273 VanDerWaalsContact O-CA 3.23Å; C265-F273 WeakPolarHBondContact O-CA 3.43Å; C265-F273 WeakPolarHBondContact O-CB 3.44Å; F271-F273 VanDerWaalsContact C-N 3.32Å; F271-F273 PolarHBondContact O-N 2.93Å; F273-M275 HydrophobicContact CD2-CB 4.49Å; F273-M275 HydrophobicContact CE2-CB 4.42Å; F273-M275 HydrophobicContact CE2-CE 3.91Å
274Y80.5Confident86.8Confident105 Ų10545 Ų4541%0.41221%0.213SC..EExtended strand (participates in β ladder)trans-106.1153.2165.8-62.6-80.6000109.7L264 C265 D268 F271L264-Y274 WeakPolarHBondContact CA-O 3.49Å; C265-Y274 PolarHBondContact N-O 3.41Å; C265-Y274 PolarHBondContact O-N 2.96Å; D268-Y274 VanDerWaalsContact CG-OH 3.31Å; D268-Y274 PolarHBondContact OD2-OH 3.35Å; D268-Y274 VanDerWaalsContact OD2-OH 3.07Å; F271-Y274 HydrophobicContact CB-CE1 4.29Å; F271-Y274 AromaticContact CD2-CE1 3.68Å; F271-Y274 HydrophobicContact CD2-CE1 3.68Å; F271-Y274 AromaticContact CD2-CZ 3.93Å; F271-Y274 HydrophobicContact CE2-CE1 4.35Å; F271-Y274 HydrophobicContact CG-CE1 4.23Å
275M87.5Confident87.2Confident65 Ų6546.5 Ų46.532%0.3222%0.222SC..EExtended strand (participates in β ladder)trans-138.1135.4179.6-176.7-163.2-65.800110.7W16 P262 Y263 L264 F273W16-M275 HydrophobicContact CD2-CE 3.29Å; W16-M275 HydrophobicContact CD2-SD 4.04Å; W16-M275 HydrophobicContact CE3-CE 3.41Å; W16-M275 VanDerWaalsContact CE3-CE 3.41Å; W16-M275 HydrophobicContact CG-CE 4.05Å; W16-M275 HydrophobicContact CG-SD 4.18Å; W16-M275 HydrophobicContact CH2-CE 3.27Å; W16-M275 HydrophobicContact CZ2-CE 3.21Å; W16-M275 HydrophobicContact CZ3-CE 3.36Å; P262-M275 HydrophobicContact CB-CE 4.17Å; P262-M275 HydrophobicContact CB-CG 3.9Å; P262-M275 HydrophobicContact CB-SD 4.07Å; Y263-M275 WeakPolarHBondContact O-CA 3.43Å; L264-M275 HydrophobicContact CD2-CB 3.88Å; L264-M275 HydrophobicContact CD2-CE 3.83Å; L264-M275 HydrophobicContact CD2-CG 3.87Å; F273-M275 HydrophobicContact CD2-CB 4.49Å; F273-M275 HydrophobicContact CE2-CB 4.42Å; F273-M275 HydrophobicContact CE2-CE 3.91Å
276L88.5Confident87.6Confident83 Ų8350.1 Ų50.144%0.43525%0.254SS..EExtended strand (participates in β ladder)trans-121.5153.4165.8-63.3168.8000109.1V208 Y263V208-L276 HydrophobicContact CG1-CB 3.8Å; V208-L276 HydrophobicContact CG1-CD1 4.06Å; V208-L276 HydrophobicContact CG1-CD2 4.42Å; V208-L276 HydrophobicContact CG1-CG 4.3Å; V208-L276 HydrophobicContact CG2-CB 4.18Å; V208-L276 HydrophobicContact CG2-CD1 4.21Å; Y263-L276 HydrophobicContact CD1-CB 4.45Å; Y263-L276 HydrophobicContact CD1-CD1 4.32Å; Y263-L276 PolarHBondContact N-O 2.86Å; Y263-L276 PolarHBondContact O-N 3.49Å
277S92.5Very high88Confident24 Ų2451.6 Ų51.617%0.16826%0.262CS..EExtended strand (participates in β ladder)trans-84.7122.5174.4-169.60000108.8L209 F236 R260L209-S277 PolarHBondContact N-O 3.34Å; F236-S277 VanDerWaalsContact CD2-OG 3.3Å; F236-S277 WeakPolarHBondContact CD2-OG 3.39Å; F236-S277 WeakPolarHBondContact CE2-OG 3.47Å; R260-S277 PolarHBondContact NE-OG 3.35Å; R260-S277 PolarHBondContact NH2-OG 3.08Å; R260-S277 VanDerWaalsContact NH2-OG 3.15Å
278S95.7Very high88.5Confident0 Ų053.6 Ų53.60%027%0.269CS..EExtended strand (participates in β ladder)trans-115.9134.7179.5-171.40000111.6N177 V207 R260 L261N177-S278 PolarHBondContact OD1-OG 3.09Å; V207-S278 CarbonylContact O-C 3.55Å; V207-S278 VanDerWaalsContact O-CA 3.25Å; V207-S278 WeakPolarHBondContact O-CA 3.39Å; V207-S278 PolarHBondContact O-OG 3.37Å; R260-S278 WeakPolarHBondContact CA-O 3.39Å; L261-S278 PolarHBondContact N-O 2.83Å; L261-S278 PolarHBondContact O-N 2.84Å
279A98.3Very high89.4Confident0 Ų053.4 Ų53.40%027%0.267CS..EExtended strand (participates in β ladder)trans-88.2122.1163.500000108.1S206 V207 L209 F236 L240 L281S206-A279 VanDerWaalsContact CA-O 3.24Å; S206-A279 WeakPolarHBondContact CA-O 3.38Å; V207-A279 HydrophobicContact CG2-CB 4.04Å; V207-A279 PolarHBondContact N-O 3.18Å; V207-A279 PolarHBondContact O-N 2.93Å; L209-A279 HydrophobicContact CD1-CB 4.24Å; F236-A279 HydrophobicContact CE2-CB 4.17Å; F236-A279 HydrophobicContact CZ-CB 3.7Å; L240-A279 HydrophobicContact CD1-CB 3.78Å; A279-L281 HydrophobicContact CB-CD1 4.03Å
280V98.7Very high90.4Very high0 Ų049.9 Ų49.90%025%0.25CC..EExtended strand (participates in β ladder)trans-111.2119.9175.7-172.90000108L89 L98 L204 V205 F258 T259 L261L89-V280 HydrophobicContact CD1-CG2 3.94Å; L89-V280 HydrophobicContact CD2-CG2 4.03Å; L89-V280 HydrophobicContact CG-CG2 4.1Å; L98-V280 HydrophobicContact CD2-CB 4.45Å; L98-V280 HydrophobicContact CD2-CG1 3.73Å; L204-V280 HydrophobicContact CD1-CG1 3.81Å; L204-V280 HydrophobicContact CG-CG1 4.46Å; V205-V280 CarbonylContact O-C 3.58Å; V205-V280 WeakPolarHBondContact O-CA 3.45Å; F258-V280 CarbonylContact C-O 3.5Å; F258-V280 WeakPolarHBondContact CA-O 3.5Å; F258-V280 WeakPolarHBondContact CB-O 3.31Å; T259-V280 HydrophobicContact CG2-CB 4.11Å; T259-V280 PolarHBondContact N-O 3.44Å; T259-V280 PolarHBondContact O-N 2.63Å; L261-V280 HydrophobicContact CB-CG2 4.21Å; L261-V280 HydrophobicContact CD1-CB 4.09Å; L261-V280 HydrophobicContact CD1-CG2 3.62Å; L261-V280 HydrophobicContact CG-CG2 4.29Å
281L98.8Very high91.7Very high0 Ų040.8 Ų40.80%022%0.22CC..EExtended strand (participates in β ladder)trans-122.7129.7-172.2-50.895.2000109.9L204 V205 L240 I244 F248 V255 F258 A279 L283L204-L281 WeakPolarHBondContact CA-O 3.48Å; V205-L281 PolarHBondContact N-O 3.11Å; V205-L281 PolarHBondContact O-N 2.66Å; L240-L281 HydrophobicContact CD1-CD2 3.92Å; I244-L281 HydrophobicContact CD1-CD2 4.31Å; I244-L281 HydrophobicContact CG1-CD2 4.12Å; F248-L281 HydrophobicContact CD2-CD2 4.18Å; F248-L281 HydrophobicContact CE2-CD1 3.82Å; F248-L281 HydrophobicContact CE2-CD2 3.84Å; F248-L281 HydrophobicContact CE2-CG 4.36Å; F248-L281 HydrophobicContact CZ-CD1 4.29Å; V255-L281 HydrophobicContact CG1-CD2 4.28Å; V255-L281 HydrophobicContact CG2-CD2 3.72Å; F258-L281 HydrophobicContact CB-CB 4.31Å; F258-L281 HydrophobicContact CB-CD2 4.26Å; F258-L281 HydrophobicContact CB-CG 3.98Å; A279-L281 HydrophobicContact CB-CD1 4.03Å; L281-L283 HydrophobicContact CB-CD2 3.71Å; L281-L283 HydrophobicContact CB-CG 4.2Å; L281-L283 HydrophobicContact CD2-CD2 4.31Å
282L98.7Very high92.8Very high9 Ų937.5 Ų37.55%0.04721%0.208CC..EExtended strand (participates in β ladder)trans-88.9117.7162.5-171.766.2000107.7L99 H202 L204 E256 R257L99-L282 HydrophobicContact CD2-CD1 3.82Å; L99-L282 HydrophobicContact CD2-CD2 4.37Å; H202-L282 HydrophobicContact CB-CD1 3.75Å; H202-L282 HydrophobicContact CB-CG 4.44Å; L204-L282 HydrophobicContact CD1-CD1 4.47Å; E256-L282 PolarHBondContact N-O 2.86Å; R257-L282 HydrophobicContact CB-CB 4.3Å; R257-L282 PolarHBondContact N-O 3.34Å; R257-L282 PolarHBondContact O-N 2.85Å
283L98.7Very high93.5Very high0 Ų037.5 Ų37.50%021%0.208CC..EExtended strand (participates in β ladder)trans-112.9151.8-175.3-53.6-178.3000110.7L203 V205 F248 F253 H254 V255 L281L203-L283 HydrophobicContact CB-CB 4.2Å; L203-L283 HydrophobicContact CD2-CD1 4.14Å; L203-L283 HydrophobicContact CG-CB 4.49Å; L203-L283 HydrophobicContact CG-CD1 4.44Å; L203-L283 PolarHBondContact N-O 3.03Å; L203-L283 WeakPolarHBondContact O-CA 3.3Å; L203-L283 WeakPolarHBondContact O-CB 3.37Å; L203-L283 PolarHBondContact O-N 2.78Å; V205-L283 HydrophobicContact CB-CD1 4.28Å; V205-L283 HydrophobicContact CG2-CD1 4.09Å; F248-L283 HydrophobicContact CB-CD1 4.39Å; F248-L283 HydrophobicContact CD1-CD1 3.71Å; F248-L283 HydrophobicContact CD2-CD1 4.13Å; F248-L283 HydrophobicContact CD2-CD2 4.22Å; F248-L283 HydrophobicContact CE1-CD1 3.97Å; F248-L283 HydrophobicContact CE2-CD1 4.35Å; F248-L283 HydrophobicContact CG-CD1 3.82Å; F248-L283 HydrophobicContact CG-CD2 4.48Å; F248-L283 HydrophobicContact CZ-CD1 4.29Å; F253-L283 HydrophobicContact CB-CB 4.3Å; F253-L283 HydrophobicContact CB-CD1 4.38Å; F253-L283 HydrophobicContact CD1-CB 4.06Å; F253-L283 HydrophobicContact CG-CB 4.41Å; F253-L283 HydrophobicContact CG-CD1 4.5Å; H254-L283 WeakPolarHBondContact O-CA 3.15Å; V255-L283 HydrophobicContact CB-CD2 4.24Å; V255-L283 HydrophobicContact CG2-CD2 3.77Å; L281-L283 HydrophobicContact CB-CD2 3.71Å; L281-L283 HydrophobicContact CB-CG 4.2Å; L281-L283 HydrophobicContact CD2-CD2 4.31Å
284K97.9Very high94.3Very high68 Ų6838.3 Ų38.330%0.29622%0.215SC..EExtended strand (participates in β ladder)trans-137.8149.8173-169.5164-168.6156.20111H202 F253 H254 E256 A286H202-K284 PolarHBondContact NE2-NZ 3.07Å; F253-K284 CarbonylContact C-O 3.58Å; F253-K284 VanDerWaalsContact CA-O 3.3Å; F253-K284 WeakPolarHBondContact CA-O 3.38Å; H254-K284 PolarHBondContact N-O 2.87Å; H254-K284 PolarHBondContact ND1-O 2.98Å; H254-K284 VanDerWaalsContact ND1-O 3.14Å; H254-K284 PolarHBondContact O-N 2.95Å; E256-K284 HydrophobicContact CG-CB 3.92Å; E256-K284 HydrophobicContact CG-CD 4.25Å; E256-K284 WeakPolarHBondContact OE1-CD 3.3Å; E256-K284 IonicContact OE1-NZ 3.13Å; E256-K284 PolarHBondContact OE1-NZ 2.93Å; E256-K284 VanDerWaalsContact OE1-NZ 3.13Å; K284-A286 PolarHBondContact O-N 2.91Å
285V97.8Very high95.4Very high32 Ų3232.8 Ų32.819%0.19420%0.199CC..EExtended strand (participates in β ladder)trans-62.7130.1176.9-177.40000108.6R193 C196 I197 F253 H254R193-V285 HydrophobicContact CG-CG1 4.26Å; R193-V285 HydrophobicContact CG-CG2 4.25Å; C196-V285 HydrophobicContact CB-CG2 3.58Å; I197-V285 HydrophobicContact CD1-CG1 4.09Å; I197-V285 HydrophobicContact CG1-CB 4.39Å; I197-V285 HydrophobicContact CG1-CG1 3.83Å; I197-V285 HydrophobicContact CG1-CG2 4.07Å; F253-V285 HydrophobicContact CD1-CG2 4.25Å; F253-V285 HydrophobicContact CE1-CG2 3.81Å; H254-V285 PolarHBondContact CE1-O 3.28Å
286A91.8Very high96.1Very high112 Ų11229.8 Ų29.893%0.92619%0.188SC*.  trans-76.80176.100000112.2G252 K284G252-A286 PolarHBondContact O-N 3.28Å; K284-A286 PolarHBondContact O-N 2.91Å

Retrieved 286 of 286 residues in 868.4 ms (Link to these results)

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