DDX52_RAT Loading...

Probable ATP-dependent RNA helicase DDX52

Required for efficient ribosome biogenesis. May control cell cycle progression by regulating translation of mRNAs that contain a terminal oligo pyrimidine (TOP) motif in their 5' UTRs, such as GTPBP4.

AlphaFold DB , UniProt , Accession Q99PT0, Species RAT (Rattus norvegicus, Rat), Gene Ddx52, Length 598 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.7Very low48.1Very low212 Ų212130.7 Ų130.7100%1.04465%0.645SS**  0115.20-78.8-174.7-176.700107.9
2D48Very low47.7Very low98 Ų98127.7 Ų127.752%0.52466%0.656SS.*  trans-73.9139.2175.8-175-4.6000109.2Y4 D5 L6D2-Y4 PolarHBondContact O-N 3.17Å; D2-Y4 PolarHBondContact OD1-N 2.94Å; D2-Y4 VanDerWaalsContact OD1-N 3.16Å; D2-D5 PolarHBondContact O-N 3.48Å; D2-L6 PolarHBondContact O-N 3.37Å
3S44.4Very low47.1Very low96 Ų96123.5 Ų123.567%0.67166%0.664SS**Hα-helixtrans-45.1-28.216825.20000113.5F7S3-F7 PolarHBondContact O-N 2.87Å
4Y49.8Very low46.6Very low119 Ų119120.9 Ų120.947%0.46767%0.668SS.*Hα-helixtrans-71.2-35.4176.4-158.3-103.4000114D2 R8D2-Y4 PolarHBondContact O-N 3.17Å; D2-Y4 PolarHBondContact OD1-N 2.94Å; D2-Y4 VanDerWaalsContact OD1-N 3.16Å; Y4-R8 PolarHBondContact O-N 2.83Å
5D52.2Low46.7Very low89 Ų89126.6 Ų126.648%0.47668%0.684SS.*Hα-helixtrans-75.1-33.5178.1-92.7-24.3000112.3D2 F7 R8 R9D2-D5 PolarHBondContact O-N 3.48Å; D5-F7 VanDerWaalsContact C-N 3.32Å; D5-F7 PolarHBondContact O-N 3.27Å; D5-R8 PolarHBondContact O-N 3.45Å; D5-R9 PolarHBondContact O-N 2.93Å; D5-R9 VanDerWaalsContact O-N 3.08Å
6L50.1Low46.9Very low107 Ų107126.5 Ų126.556%0.5668%0.675SS**Hα-helixtrans-63.4-41174.6-159.579.5000110.6D2 R9 L10D2-L6 PolarHBondContact O-N 3.37Å; L6-R9 PolarHBondContact O-N 3.01Å; L6-L10 HydrophobicContact CG-CD1 4.19Å; L6-L10 WeakPolarHBondContact O-CB 3.4Å; L6-L10 VanDerWaalsContact O-CG 3.29Å; L6-L10 WeakPolarHBondContact O-CG 3.31Å; L6-L10 PolarHBondContact O-N 3.46Å
7F51.1Low47.4Very low158 Ų158123.8 Ų123.869%0.69366%0.661SS**Hα-helixtrans-71.9-34.4178.8-121.6-86.2000113.3S3 D5 L10 G11S3-F7 PolarHBondContact O-N 2.87Å; D5-F7 VanDerWaalsContact C-N 3.32Å; D5-F7 PolarHBondContact O-N 3.27Å; F7-L10 PolarHBondContact O-N 3.42Å; F7-G11 PolarHBondContact O-N 3.48Å
8R51.5Low47.9Very low166 Ų166120.3 Ų120.363%0.62665%0.645SS**Hα-helixtrans-64.4-43.3171.6-94.2-169.6-173.4-172.62.5112.2Y4 D5 L10 G11 A12Y4-R8 PolarHBondContact O-N 2.83Å; D5-R8 PolarHBondContact O-N 3.45Å; R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 2.94Å; R8-G11 PolarHBondContact O-N 3.18Å; R8-A12 VanDerWaalsContact O-CB 3.29Å; R8-A12 WeakPolarHBondContact O-CB 3.33Å; R8-A12 PolarHBondContact O-N 3.06Å; R8-A12 VanDerWaalsContact O-N 3.15Å
9R49.9Very low48.4Very low209 Ų209123.8 Ų123.879%0.78965%0.654SS**Hα-helixtrans-68.1-30178.7-75.7-174.6171.8-173.3-2.9112.6D5 L6D5-R9 PolarHBondContact O-N 2.93Å; D5-R9 VanDerWaalsContact O-N 3.08Å; L6-R9 PolarHBondContact O-N 3.01Å
10L47.8Very low48.7Very low128 Ų128127.7 Ų127.767%0.6766%0.659SS**Hα-helixtrans-83.9-29.1175.3-69.5167.9000113.5L6 F7 R8L6-L10 HydrophobicContact CG-CD1 4.19Å; L6-L10 WeakPolarHBondContact O-CB 3.4Å; L6-L10 VanDerWaalsContact O-CG 3.29Å; L6-L10 WeakPolarHBondContact O-CG 3.31Å; L6-L10 PolarHBondContact O-N 3.46Å; F7-L10 PolarHBondContact O-N 3.42Å; R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 2.94Å
11G45.5Very low49.3Very low56 Ų56125.6 Ų125.658%0.57765%0.645SS**Hα-helixtrans-90.7-17.4-175.400000115.8F7 R8 G13F7-G11 PolarHBondContact O-N 3.48Å; R8-G11 PolarHBondContact O-N 3.18Å; G11-G13 VanDerWaalsContact C-N 3.25Å; G11-G13 PolarHBondContact O-N 2.91Å
12A43.7Very low50.2Low94 Ų94118.8 Ų118.878%0.77762%0.618SS**THydrogen-bonded Turntrans-77.12.6-173.100000115.5R8R8-A12 VanDerWaalsContact O-CB 3.29Å; R8-A12 WeakPolarHBondContact O-CB 3.33Å; R8-A12 PolarHBondContact O-N 3.06Å; R8-A12 VanDerWaalsContact O-N 3.15Å
13G39.1Very low50.8Low74 Ų74117.2 Ų117.276%0.76362%0.619SS**THydrogen-bonded Turntrans-138.1-0.7-173.400000117.3G11 K15G11-G13 VanDerWaalsContact C-N 3.25Å; G11-G13 PolarHBondContact O-N 2.91Å; G13-K15 PolarHBondContact O-N 3.34Å
14A41.2Very low51.3Low87 Ų87115.3 Ų115.372%0.71960%0.601SS**  trans-93.590.9-172.900000112.2
15K47.1Very low51.9Low206 Ų206110.5 Ų110.590%0.89659%0.586SS**  trans-67.9125.4155.2-85-177.6177176.10107.7G13 D17G13-K15 PolarHBondContact O-N 3.34Å; K15-D17 PolarHBondContact O-N 3.19Å
16F49.9Very low52.5Low125 Ų125111.2 Ų111.255%0.54859%0.594SS.*  trans-66.5115.1-179.6-177.6-101.6000110.5V18 F21F16-V18 HydrophobicContact CD1-CG2 3.75Å; F16-V18 HydrophobicContact CE1-CB 4.35Å; F16-V18 HydrophobicContact CE1-CG2 3.85Å; F16-V18 PolarHBondContact O-N 3.17Å; F16-F21 HydrophobicContact CD2-CD2 4.17Å; F16-F21 HydrophobicContact CE2-CB 3.99Å; F16-F21 AromaticContact CE2-CD2 3.76Å; F16-F21 HydrophobicContact CE2-CD2 3.76Å; F16-F21 HydrophobicContact CE2-CG 4.05Å; F16-F21 HydrophobicContact CZ-CB 3.83Å; F16-F21 HydrophobicContact CZ-CD2 4.31Å; F16-F21 HydrophobicContact CZ-CG 4.39Å
17D55.8Low52.8Low81 Ų81111 Ų11143%0.43359%0.585SS.*  trans-89.298.4176.9-169.3-6.9000110K15 K19 R20 F21K15-D17 PolarHBondContact O-N 3.19Å; D17-K19 PolarHBondContact O-N 2.96Å; D17-K19 VanDerWaalsContact O-N 3.14Å; D17-K19 WeakPolarHBondContact OD1-CB 3.47Å; D17-K19 PolarHBondContact OD1-N 3.22Å; D17-R20 HydrophobicContact CB-CB 3.89Å; D17-R20 PolarHBondContact O-N 2.91Å; D17-F21 PolarHBondContact O-N 3.28Å
18V56.7Low53.2Low61 Ų61103.8 Ų103.837%0.3755%0.554SS.*THydrogen-bonded Turntrans-59.4-24.4179.4-1720000111.6F16F16-V18 HydrophobicContact CD1-CG2 3.75Å; F16-V18 HydrophobicContact CE1-CB 4.35Å; F16-V18 HydrophobicContact CE1-CG2 3.85Å; F16-V18 PolarHBondContact O-N 3.17Å
19K57.8Low53.6Low187 Ų187102.8 Ų102.881%0.81356%0.556SS**THydrogen-bonded Turntrans-74.9-31.3175.5-67.3-174.5176-176.70112D17D17-K19 PolarHBondContact O-N 2.96Å; D17-K19 VanDerWaalsContact O-N 3.14Å; D17-K19 WeakPolarHBondContact OD1-CB 3.47Å; D17-K19 PolarHBondContact OD1-N 3.22Å
20R54.7Low53.5Low200 Ų20096.3 Ų96.376%0.75554%0.54SS*.THydrogen-bonded Turntrans-79.6-29.2-178.4-167.6173.9179.7173.90.4113.4D17D17-R20 HydrophobicContact CB-CB 3.89Å; D17-R20 PolarHBondContact O-N 2.91Å
21F60.4Low53.1Low85 Ų8593.4 Ų93.437%0.37354%0.54SS..THydrogen-bonded Turntrans-114.332.6-177.7-60.9-77.9000113.2F16 D17 A23 D24 A25F16-F21 HydrophobicContact CD2-CD2 4.17Å; F16-F21 HydrophobicContact CE2-CB 3.99Å; F16-F21 AromaticContact CE2-CD2 3.76Å; F16-F21 HydrophobicContact CE2-CD2 3.76Å; F16-F21 HydrophobicContact CE2-CG 4.05Å; F16-F21 HydrophobicContact CZ-CB 3.83Å; F16-F21 HydrophobicContact CZ-CD2 4.31Å; F16-F21 HydrophobicContact CZ-CG 4.39Å; D17-F21 PolarHBondContact O-N 3.28Å; F21-A23 VanDerWaalsContact C-N 3.29Å; F21-A23 PolarHBondContact O-N 3.04Å; F21-D24 PolarHBondContact O-N 3.25Å; F21-A25 PolarHBondContact O-N 3.15Å
22S58.3Low52.8Low69 Ų6998.9 Ų98.948%0.48355%0.548SS..Hα-helixtrans-62.5-34.1-178.557.70000113.2A25 T26S22-A25 PolarHBondContact O-N 3.33Å; S22-T26 PolarHBondContact O-N 3.33Å; S22-T26 PolarHBondContact O-OG1 2.99Å
23A59Low52.2Low65 Ų65105.2 Ų105.254%0.53755%0.552SS.*Hα-helixtrans-65.2-39.9175.800000112.4F21 T26 R27F21-A23 VanDerWaalsContact C-N 3.29Å; F21-A23 PolarHBondContact O-N 3.04Å; A23-T26 WeakPolarHBondContact CA-OG1 3.47Å; A23-T26 PolarHBondContact O-OG1 3.14Å; A23-R27 VanDerWaalsContact O-CB 3.29Å; A23-R27 WeakPolarHBondContact O-CB 3.28Å; A23-R27 PolarHBondContact O-N 3.49Å
24D55.9Low51.8Low56 Ų56111.7 Ų111.730%0.29956%0.559SS.*Hα-helixtrans-72-42.5175.8-62.5-36.4000110.6F21 T26 R27 F28 W465F21-D24 PolarHBondContact O-N 3.25Å; D24-T26 VanDerWaalsContact C-N 3.26Å; D24-T26 PolarHBondContact O-N 2.91Å; D24-R27 PolarHBondContact O-N 2.93Å; D24-F28 WeakPolarHBondContact O-CD2 3.4Å; D24-F28 PolarHBondContact O-N 3.29Å; D24-W465 HydrophobicContact CB-CH2 4.47Å
25A62Low51.1Low17 Ų17117 Ų11714%0.1457%0.567CS.*Hα-helixtrans-59.2-37.4176.500000112.4F21 S22 Q29 V30F21-A25 PolarHBondContact O-N 3.15Å; S22-A25 PolarHBondContact O-N 3.33Å; A25-Q29 CarbonylContact O-C 3.57Å; A25-Q29 PolarHBondContact O-N 3.04Å; A25-V30 HydrophobicContact CB-CB 4.41Å; A25-V30 PolarHBondContact O-N 2.9Å
26T64.4Low50.4Low105 Ų105110.7 Ų110.764%0.64456%0.56SS**Hα-helixtrans-72.6-43.517538.20000112.2S22 A23 D24 F28 Q29S22-T26 PolarHBondContact O-N 3.33Å; S22-T26 PolarHBondContact O-OG1 2.99Å; A23-T26 WeakPolarHBondContact CA-OG1 3.47Å; A23-T26 PolarHBondContact O-OG1 3.14Å; D24-T26 VanDerWaalsContact C-N 3.26Å; D24-T26 PolarHBondContact O-N 2.91Å; T26-F28 VanDerWaalsContact C-N 3.28Å; T26-F28 PolarHBondContact O-N 3.37Å; T26-Q29 PolarHBondContact O-N 2.8Å; T26-Q29 VanDerWaalsContact O-N 3.12Å
27R58.1Low49.3Very low103 Ų103110 Ų11039%0.38957%0.57SS.*Hα-helixtrans-60.5-33.6177.7-175.1172.8176-178.5-7.1113.7A23 D24 V408A23-R27 VanDerWaalsContact O-CB 3.29Å; A23-R27 WeakPolarHBondContact O-CB 3.28Å; A23-R27 PolarHBondContact O-N 3.49Å; D24-R27 PolarHBondContact O-N 2.93Å; R27-V408 PolarHBondContact NH2-O 3.38Å
28F58.6Low48.1Very low6 Ų6113.3 Ų113.33%0.02659%0.588CS.*THydrogen-bonded Turntrans-100.112.9177.4-65.3-75.7000113.8D24 T26 V30 V408 F412 I438 W465D24-F28 WeakPolarHBondContact O-CD2 3.4Å; D24-F28 PolarHBondContact O-N 3.29Å; T26-F28 VanDerWaalsContact C-N 3.28Å; T26-F28 PolarHBondContact O-N 3.37Å; F28-V30 HydrophobicContact CB-CG2 3.95Å; F28-V30 PolarHBondContact O-N 3.31Å; F28-V30 VanDerWaalsContact O-N 3.11Å; F28-V408 HydrophobicContact CZ-CG1 4.39Å; F28-F412 HydrophobicContact CD1-CE2 4.28Å; F28-F412 HydrophobicContact CD1-CZ 4.42Å; F28-F412 HydrophobicContact CE1-CE1 4.25Å; F28-F412 HydrophobicContact CE1-CE2 4.25Å; F28-F412 AromaticContact CE1-CZ 3.93Å; F28-F412 HydrophobicContact CE1-CZ 3.93Å; F28-I438 HydrophobicContact CZ-CG1 4.31Å; F28-W465 HydrophobicContact CB-CH2 4.42Å; F28-W465 HydrophobicContact CB-CZ3 4.25Å; F28-W465 HydrophobicContact CD1-CE3 4.15Å; F28-W465 HydrophobicContact CD1-CZ3 4.28Å; F28-W465 AromaticContact CD2-CE3 3.77Å; F28-W465 HydrophobicContact CD2-CE3 3.77Å; F28-W465 AromaticContact CD2-CH2 3.67Å; F28-W465 HydrophobicContact CD2-CH2 3.67Å; F28-W465 AromaticContact CD2-CZ3 3.07Å; F28-W465 HydrophobicContact CD2-CZ3 3.07Å; F28-W465 HydrophobicContact CE1-CE3 4.31Å; F28-W465 HydrophobicContact CE1-CZ3 4.46Å; F28-W465 AromaticContact CE2-CE3 3.97Å; F28-W465 HydrophobicContact CE2-CE3 3.97Å; F28-W465 HydrophobicContact CE2-CH2 4.27Å; F28-W465 AromaticContact CE2-CZ3 3.34Å; F28-W465 HydrophobicContact CE2-CZ3 3.34Å; F28-W465 AromaticContact CG-CE3 3.88Å; F28-W465 HydrophobicContact CG-CE3 3.88Å; F28-W465 HydrophobicContact CG-CH2 4.22Å; F28-W465 AromaticContact CG-CZ3 3.62Å; F28-W465 HydrophobicContact CG-CZ3 3.62Å; F28-W465 HydrophobicContact CZ-CE3 4.23Å; F28-W465 HydrophobicContact CZ-CZ3 4.04Å
29Q59.6Low46.7Very low144 Ų144115.3 Ų115.367%0.67361%0.605SS**THydrogen-bonded Turntrans53.129-179.3-55.9-176.71200114.5A25 T26 G31 N413A25-Q29 CarbonylContact O-C 3.57Å; A25-Q29 PolarHBondContact O-N 3.04Å; T26-Q29 PolarHBondContact O-N 2.8Å; T26-Q29 VanDerWaalsContact O-N 3.12Å; Q29-G31 VanDerWaalsContact C-N 3.28Å; Q29-G31 PolarHBondContact O-N 3.16Å; Q29-N413 PolarHBondContact OE1-OD1 3.25Å
30V48.9Very low45.2Very low74 Ų74112.1 Ų112.145%0.44861%0.606SS.*  trans-81.473.3176.7-171.30000109.2A25 F28 W465A25-V30 HydrophobicContact CB-CB 4.41Å; A25-V30 PolarHBondContact O-N 2.9Å; F28-V30 HydrophobicContact CB-CG2 3.95Å; F28-V30 PolarHBondContact O-N 3.31Å; F28-V30 VanDerWaalsContact O-N 3.11Å; V30-W465 HydrophobicContact CG2-CZ2 4.32Å
31G39.2Very low43.9Very low66 Ų66110.1 Ų110.168%0.6861%0.605SS**  trans-89.3131.3176.800000113.1Q29 R33Q29-G31 VanDerWaalsContact C-N 3.28Å; Q29-G31 PolarHBondContact O-N 3.16Å; G31-R33 PolarHBondContact O-N 2.94Å
32K37.6Very low42.3Very low171 Ų171112.1 Ų112.174%0.74362%0.624SS**  trans-61.6119.2167.6-77.9-178.2176.3178.70109.3K34K32-K34 PolarHBondContact O-N 3.07Å; K32-K34 VanDerWaalsContact O-N 3.11Å
33R31.5Very low40.8Very low227 Ų227115.7 Ų115.786%0.85764%0.643SS**  trans-54.7115.9158.9-72.9-179.1175.8177.8-2.7107.5G31 F35G31-R33 PolarHBondContact O-N 2.94Å; R33-F35 PolarHBondContact O-N 3.14Å
34K30.3Very low39.3Very low211 Ų211119.6 Ų119.692%0.91765%0.648SS**  trans-62.5106.9174.8-75.9-176.9176.6179.30108.3K32K32-K34 PolarHBondContact O-N 3.07Å; K32-K34 VanDerWaalsContact O-N 3.11Å
35F28.2Very low38.1Very low199 Ų199120 Ų12087%0.87367%0.665SS**PPolyproline II helixtrans-95.2116.9157.2-99.2-92.2000106.5R33R33-F35 PolarHBondContact O-N 3.14Å
36G31.6Very low36.4Very low73 Ų73128 Ų12875%0.75370%0.704SS**PPolyproline II helixtrans-63.9143.717400000110.8D38G36-D38 PolarHBondContact O-N 3.09Å
37S26.9Very low34.8Very low110 Ų110128.9 Ų128.977%0.76971%0.705SS**PPolyproline II helixtrans-70.9117.1173.551.30000109.9
38D29.9Very low33.7Very low151 Ų151132.6 Ų132.681%0.80772%0.724SS**  trans-164.8134.1132-98-20.7000111.3G36G36-D38 PolarHBondContact O-N 3.09Å
39S27.9Very low32.4Very low103 Ų103136.8 Ų136.872%0.7274%0.743SS**SBendtrans40.2114.9155.946.80000121.9
40S26.1Very low30.9Very low119 Ų119133.9 Ų133.983%0.83275%0.751SS**  trans3586.7150.171.90000118.8
41E27.1Very low30Very low158 Ų158136.8 Ų136.874%0.73876%0.764SS**  trans-142.4133.5151.9-88.7-152.316200112.3K44E41-K44 IonicContact OE1-NZ 2.66Å; E41-K44 IonicContact OE2-NZ 3.64Å; E41-K44 PolarHBondContact OE2-NZ 2.79Å
42T27.4Very low29.8Very low127 Ų127143 Ų14378%0.77977%0.773SS**  trans-46.8139.7177.4-37.30000113.2K44T42-K44 PolarHBondContact O-N 3.41Å
43V26.9Very low29.5Very low145 Ų145144.3 Ų144.388%0.87978%0.778SS**  trans-42.394.7173.1-177.80000111.7
44K27.7Very low29.4Very low147 Ų147139.2 Ų139.264%0.63978%0.777SS**  trans-89.4108.3169-77.8170.5-174.7153.80108.1E41 T42E41-K44 IonicContact OE1-NZ 2.66Å; E41-K44 IonicContact OE2-NZ 3.64Å; E41-K44 PolarHBondContact OE2-NZ 2.79Å; T42-K44 PolarHBondContact O-N 3.41Å
45G30.2Very low29.4Very low63 Ų63135.5 Ų135.565%0.64977%0.772SS**  trans-57.5150.2178.700000112.7D47G45-D47 PolarHBondContact O-N 3.33Å
46L26.6Very low29.4Very low185 Ų185130.3 Ų130.397%0.96976%0.761SS**  trans-62.499.8167.6-84.894.5000108.9F48L46-F48 PolarHBondContact O-N 3.27Å
47D30.1Very low29.5Very low124 Ų124134.3 Ų134.366%0.66377%0.765SS**  trans-79.5107.5175.4-146.6-7.8000108.8G45 F49G45-D47 PolarHBondContact O-N 3.33Å; D47-F49 PolarHBondContact O-N 3.37Å
48F34.8Very low29.5Very low181 Ų181138 Ų13879%0.79477%0.77SS**SBendtrans-78.8-1.6175.4-155.7-96.7000111.6L46L46-F48 PolarHBondContact O-N 3.27Å
49F32.4Very low29.3Very low95 Ų95137.4 Ų137.442%0.41778%0.776SS.*SBendtrans-127.392.6-178.3-60-70.3000108.4D47 N51 A184 G185D47-F49 PolarHBondContact O-N 3.37Å; F49-N51 PolarHBondContact O-N 2.69Å; F49-A184 WeakPolarHBondContact CZ-O 3.44Å; F49-G185 VanDerWaalsContact CE1-CA 3.48Å
50G28.6Very low29.5Very low82 Ų82136 Ų13685%0.84578%0.777SS**  trans-62.6107.917900000111.1
51N29.1Very low29.5Very low136 Ų136133.8 Ų133.873%0.72777%0.773SS**  trans-136.890.2167.1-142.59.8000109.2F49F49-N51 PolarHBondContact O-N 2.69Å
52K34.5Very low29.8Very low196 Ų196134.4 Ų134.485%0.85278%0.781SS**  trans-134.6111.6161.1-88.6-168.3175.3-176.20109.7
53K31Very low29.8Very low199 Ų199136.4 Ų136.487%0.86578%0.781SS**  trans-60.7129.7165.8-73.1178.9173.6-179.90109.2
54S29.9Very low29.9Very low119 Ų119134.3 Ų134.383%0.83277%0.769SS**  trans-75.6126.1165.948.80000109.8
55V31.3Very low29.9Very low133 Ų133135.5 Ų135.581%0.80678%0.777SS**  trans-106.8137.6157.3176.70000106.2
56S28.4Very low29.9Very low91 Ų91142.1 Ų142.164%0.63679%0.791SS**  trans-50.7149.2176.648.90000113.1
57D31.8Very low30.2Very low156 Ų156142.2 Ų142.283%0.83479%0.787SS**  -173.8151.6116.6-86.7-9.2000111.9
58E27.5Very low30.1Very low189 Ų189143.8 Ų143.888%0.88379%0.794SS**  trans-75.6165-164.8-63-180127.100115.5
59C26.7Very low30Very low137 Ų137144.7 Ų144.793%0.92680%0.801SS**  trans104.4131135.2-154.80000118.5
60G30.5Very low29.8Very low73 Ų73147.1 Ų147.175%0.75382%0.818SS**  trans11689.6149.800000115.2
61G27Very low30Very low73 Ų73152.7 Ų152.775%0.75382%0.822SS**  trans-76.8170.6174.100000114.3
62L32.4Very low30.1Very low172 Ų172154.8 Ų154.890%0.90183%0.828SS**  trans-172.6143.6135.6-99.5154.3000110.6
63Q28.3Very low30Very low168 Ų168152.5 Ų152.579%0.78583%0.83SS**  trans-59.2162.6-176.4-64.3153.8-13.100111.3
64T28.1Very low29.9Very low102 Ų102149.2 Ų149.263%0.62683%0.827SS**  173.4139.675.1-56.10000111.3
65Q28.8Very low30.2Very low171 Ų171153 Ų15380%0.79983%0.832SS**  trans64.1119.9150.2-73.3160.715.900122.9
66Q30.8Very low30.2Very low202 Ų202150.8 Ų150.894%0.94484%0.836SS**  trans-137.4126.5138.5-105.5178.3-3.300109.6
67E31.8Very low30.5Very low188 Ų188150 Ų15088%0.87984%0.841SS**  trans-78.9150.8179.8-73.1173.8138.800112.7
68L28.6Very low30.7Very low157 Ų157150 Ų15082%0.82284%0.841SS**  trans-83.2143.4171.7-77.8144.7000111.1
69Q33.2Very low31Very low199 Ų199147.8 Ų147.893%0.9383%0.834SS**  trans-140.3119.3146.8-73-171.4-10.100109.9
70N28.3Very low31.3Very low147 Ų147150.5 Ų150.579%0.78683%0.833SS**  trans-94.7144.1164.7-87.5-15.5000108.3
71E32.5Very low31.3Very low199 Ų199157.7 Ų157.793%0.9384%0.838SS**  trans-138126.4148.3-80.5-168.4154.100109.6
72E30Very low31.4Very low180 Ų180159 Ų15984%0.84184%0.835SS**  trans-88.3151.8170.7-72.1-179.7143.300110.3
73T33.1Very low31.4Very low148 Ų148160.8 Ų160.891%0.90884%0.836SS**  trans-155.3121.2143.2-3.70000111.1
74T29.6Very low31.5Very low130 Ų130161.7 Ų161.780%0.79884%0.84SS**  trans-72.5150.7174.613.10000113.5
75E35.2Very low31.8Very low198 Ų198161.9 Ų161.993%0.92584%0.843SS**  -173.4115.6128.7-104.4179.1-167.800114.2
76G32.7Very low32Very low87 Ų87164 Ų16490%0.89785%0.849SS**  62.5125.6126.700000124.2
77G33.6Very low31.9Very low73 Ų73163.6 Ų163.675%0.75384%0.844SS**  trans150.880.2141.400000121.6
78L35.1Very low32Very low157 Ų157165 Ų16582%0.82285%0.848SS**  trans56.5119.4138.6-89.177.4000125.7
79L33.8Very low32Very low143 Ų143166.7 Ų166.775%0.74985%0.849SS**  63.7118.6122.6-69.3168.8000122.6
80E34.8Very low32Very low193 Ų193169.1 Ų169.190%0.90285%0.849SS**  177.6168.398.3-98.1-157.115400114.3
81R29.6Very low32.2Very low225 Ų225171.6 Ų171.685%0.84985%0.853SS**  trans-117.5142.3-136.3-130.9178.6-175.4178.2-1.3113.4
82S28.3Very low31.9Very low99 Ų99171 Ų17169%0.69285%0.847SS**  trans62.7128.1137.449.70000123.1
83K33.9Very low31.9Very low211 Ų211171.8 Ų171.892%0.91785%0.853SS**  -175.4112.7129-100165.3-171.3178.20113.1
84E30.2Very low31.7Very low187 Ų187170.5 Ų170.587%0.87485%0.846SS**  trans-108.5178.3148.6-109.4-166.3-177.600107.1
85P34.5Very low31.8Very low105 Ų105169.2 Ų169.268%0.68285%0.848SS**  cis-141.7-177.411.734.1-11.1000115.2
86K33.1Very low31.5Very low216 Ų216167.1 Ų167.194%0.93984%0.843SS**  trans-172.6121.7135-103.2167.1-171.9-179.80114.4
87K28.6Very low31.5Very low193 Ų193169.7 Ų169.784%0.83984%0.841SS**  trans-72.2147.1176.6-70.7168.2173166.50113.7
88K34.4Very low31.3Very low219 Ų219171.6 Ų171.695%0.95284%0.84SS**  trans-140.3116.5142.3-88.1-173178.5175.70110.9
89K27.8Very low30.9Very low192 Ų192168.6 Ų168.684%0.83584%0.838SS**  trans-81.3145.7174.3-79.8178.3170.1178.70111.2
90R32.9Very low30.7Very low249 Ų249170.4 Ų170.494%0.9484%0.842SS**  trans-154.3116.8141.1-115.3177.8166-175.8-5.9112.4
91K32.3Very low30.5Very low200 Ų200169.8 Ų169.887%0.8784%0.84SS**  trans9118.7158.5-64.1175.8174.6-177.60118.1
92K27.4Very low30.5Very low187 Ų187166.2 Ų166.281%0.81384%0.837SS**  71.710573.4-159.5-175.6-167.5-174.70113.2
93M30.3Very low30.5Very low195 Ų195169.6 Ų169.696%0.96185%0.847SS**  trans-156.6111.5134.4-89.9-17483.500107.9
94T27.9Very low30.5Very low122 Ų122166.2 Ų166.275%0.74884%0.839SS**  trans-93134.5175.339.70000109.3
95A32.7Very low30.8Very low102 Ų102161.1 Ų161.184%0.84384%0.836SS**  trans-142112.8156.800000107.2
96D28.9Very low31Very low155 Ų155161.4 Ų161.483%0.82984%0.836SS**  trans-69.4136.2175.3-70.4-52.7000111.2
97V31.2Very low31.8Very low140 Ų140153.1 Ų153.185%0.84880%0.801SS**  trans-146.5130.7151.5-176.20000107.8
98P29Very low32.4Very low114 Ų114148.4 Ų148.474%0.7478%0.782SS**  trans-94160-170.637.1-33.8000114.1
99A27.7Very low33.2Very low93 Ų93138.4 Ų138.477%0.76974%0.739SS**  trans76.9141.6141.800000122.2
100Q30.6Very low33.9Very low182 Ų182131.2 Ų131.285%0.8571%0.711SS**  trans90.297.8162.6-76.8175.6-52.500119.1D102Q100-D102 PolarHBondContact O-N 3.1Å
101E28.6Very low34.6Very low180 Ų180122.1 Ų122.184%0.84169%0.685SS**  trans-7397.2162.9-67.4178148.100110.2
102D30Very low35.4Very low150 Ų150115 Ų11580%0.80266%0.661SS**  trans-96.492.2159.3-73.8-31.4000108.6Q100 D104Q100-D102 PolarHBondContact O-N 3.1Å; D102-D104 PolarHBondContact O-N 3.11Å
103L29.8Very low36.3Very low169 Ų169107.6 Ų107.689%0.88563%0.631SS**  trans-76.769170.5-86.3156.4000110.1
104D33.2Very low37Very low141 Ų141104.4 Ų104.475%0.75461%0.614SS**  trans-130.4100.9162.3-160.610000111.1D102 T106D102-D104 PolarHBondContact O-N 3.11Å; D104-T106 VanDerWaalsContact C-N 3.32Å; D104-T106 PolarHBondContact O-N 3.18Å
105G35.4Very low37.9Very low79 Ų79101 Ų10181%0.81460%0.599SS**  trans-8351.6-162.300000115.5I107G105-I107 PolarHBondContact O-N 3.35Å
106T38.6Very low38.5Very low112 Ų112100.7 Ų100.769%0.68758%0.578SS**  trans-81.3107.8175.9-60.40000111D104 Q108D104-T106 VanDerWaalsContact C-N 3.32Å; D104-T106 PolarHBondContact O-N 3.18Å; T106-Q108 PolarHBondContact O-N 2.9Å
107I51.7Low39.4Very low41 Ų4198 Ų9821%0.2156%0.563CS.*  trans-70.1120.3170.3-61.2172.2000108.2G105 W109 F144G105-I107 PolarHBondContact O-N 3.35Å; I107-W109 HydrophobicContact CB-CH2 4.4Å; I107-W109 HydrophobicContact CB-CZ2 3.85Å; I107-W109 HydrophobicContact CD1-CH2 4.06Å; I107-W109 HydrophobicContact CD1-CZ2 3.94Å; I107-W109 HydrophobicContact CG1-CZ2 4.49Å; I107-W109 HydrophobicContact CG2-CD2 3.91Å; I107-W109 HydrophobicContact CG2-CE3 4.06Å; I107-W109 HydrophobicContact CG2-CH2 3.85Å; I107-W109 HydrophobicContact CG2-CZ2 3.72Å; I107-W109 HydrophobicContact CG2-CZ3 4Å; I107-W109 PolarHBondContact O-N 3.26Å; I107-W109 PolarHBondContact O-NE1 2.88Å; I107-F144 HydrophobicContact CD1-CB 4.09Å; I107-F144 HydrophobicContact CD1-CD2 3.49Å; I107-F144 VanDerWaalsContact CD1-CD2 3.49Å; I107-F144 HydrophobicContact CD1-CE2 4.09Å; I107-F144 HydrophobicContact CD1-CG 3.89Å
108Q40.1Very low40.2Very low94 Ų9498.7 Ų98.744%0.43956%0.557SS.*  trans-78.9112.5170-77-163-41.800110.5T106 K116T106-Q108 PolarHBondContact O-N 2.9Å; Q108-K116 VanDerWaalsContact CD-NZ 3.3Å; Q108-K116 VanDerWaalsContact NE2-CE 3.29Å
109W51.2Low41Very low10 Ų1099.5 Ų99.54%0.03856%0.555CS.*  trans-85.4171-179.3-57103.8000113I107 S111 S112 V113 I141 D159 P160 A162 E170I107-W109 HydrophobicContact CB-CH2 4.4Å; I107-W109 HydrophobicContact CB-CZ2 3.85Å; I107-W109 HydrophobicContact CD1-CH2 4.06Å; I107-W109 HydrophobicContact CD1-CZ2 3.94Å; I107-W109 HydrophobicContact CG1-CZ2 4.49Å; I107-W109 HydrophobicContact CG2-CD2 3.91Å; I107-W109 HydrophobicContact CG2-CE3 4.06Å; I107-W109 HydrophobicContact CG2-CH2 3.85Å; I107-W109 HydrophobicContact CG2-CZ2 3.72Å; I107-W109 HydrophobicContact CG2-CZ3 4Å; I107-W109 PolarHBondContact O-N 3.26Å; I107-W109 PolarHBondContact O-NE1 2.88Å; W109-S111 VanDerWaalsContact C-N 3.28Å; W109-S111 PolarHBondContact O-N 3.23Å; W109-S111 VanDerWaalsContact O-N 3.11Å; W109-S112 WeakPolarHBondContact O-CB 3.36Å; W109-S112 PolarHBondContact O-N 3Å; W109-V113 PolarHBondContact O-N 3.39Å; W109-V113 VanDerWaalsContact O-N 3.11Å; W109-I141 HydrophobicContact CZ3-CG1 4.38Å; W109-D159 HydrophobicContact CE3-CB 3.85Å; W109-D159 HydrophobicContact CZ3-CB 3.58Å; W109-P160 HydrophobicContact CH2-CG 4.41Å; W109-P160 WeakPolarHBondContact CH2-O 3.41Å; W109-P160 VanDerWaalsContact CZ2-O 3.32Å; W109-P160 WeakPolarHBondContact CZ2-O 3.39Å; W109-P160 WeakPolarHBondContact CZ3-O 3.45Å; W109-A162 HydrophobicContact CZ2-CB 4.45Å; W109-E170 WeakPolarHBondContact CB-OE1 3.34Å
110T43.6Very low42Very low41 Ų41101 Ų10125%0.25254%0.544SS..Hα-helixtrans-44.1-45.4-173.934.20000114.9S112 V113 E114T110-S112 VanDerWaalsContact C-N 3.28Å; T110-S112 PolarHBondContact O-N 3.44Å; T110-V113 PolarHBondContact O-N 3.44Å; T110-E114 WeakPolarHBondContact O-CB 3.44Å; T110-E114 PolarHBondContact O-N 2.96Å
111S46.1Very low42.6Very low57 Ų57100.7 Ų100.740%0.39954%0.54SS..Hα-helixtrans-64.1-34-178.459.90000112.7W109 A115W109-S111 VanDerWaalsContact C-N 3.28Å; W109-S111 PolarHBondContact O-N 3.23Å; W109-S111 VanDerWaalsContact O-N 3.11Å; S111-A115 WeakPolarHBondContact O-CB 3.43Å; S111-A115 PolarHBondContact O-N 3.41Å
112S50.2Low43.5Very low50 Ų5096.2 Ų96.235%0.3553%0.534SS..Hα-helixtrans-80.2-29.1176-68.50000112.8W109 T110 K116W109-S112 WeakPolarHBondContact O-CB 3.36Å; W109-S112 PolarHBondContact O-N 3Å; T110-S112 VanDerWaalsContact C-N 3.28Å; T110-S112 PolarHBondContact O-N 3.44Å; S112-K116 WeakPolarHBondContact O-CB 3.5Å; S112-K116 WeakPolarHBondContact O-CG 3.47Å; S112-K116 PolarHBondContact O-N 2.84Å; S112-K116 VanDerWaalsContact O-N 3.1Å
113V46.5Very low44.1Very low32 Ų3295.7 Ų95.719%0.19453%0.531CS..Hα-helixtrans-75.8-39.71781780000111W109 T110 K116 L117 L133W109-V113 PolarHBondContact O-N 3.39Å; W109-V113 VanDerWaalsContact O-N 3.11Å; T110-V113 PolarHBondContact O-N 3.44Å; V113-K116 PolarHBondContact O-N 3.47Å; V113-L117 HydrophobicContact CG1-CD1 4.17Å; V113-L117 WeakPolarHBondContact O-CB 3.31Å; V113-L117 PolarHBondContact O-N 3.11Å; V113-L133 HydrophobicContact CG1-CD2 3.57Å
114E43.6Very low44.6Very low129 Ų12992 Ų9260%0.60353%0.534SS*.Hα-helixtrans-66.7-39.1174.6-75.2175.3177.600112T110 L117 Q118T110-E114 WeakPolarHBondContact O-CB 3.44Å; T110-E114 PolarHBondContact O-N 2.96Å; E114-L117 WeakPolarHBondContact O-CB 3.19Å; E114-L117 PolarHBondContact O-N 3.1Å; E114-Q118 PolarHBondContact O-N 3.07Å
115A47.9Very low45.3Very low51 Ų5191.6 Ų91.642%0.42153%0.528SS..Hα-helixtrans-62.6-44.5172.500000111.8S111 L117 Q118 D119S111-A115 WeakPolarHBondContact O-CB 3.43Å; S111-A115 PolarHBondContact O-N 3.41Å; A115-L117 VanDerWaalsContact C-N 3.3Å; A115-L117 PolarHBondContact O-N 2.92Å; A115-Q118 PolarHBondContact O-N 3.13Å; A115-Q118 VanDerWaalsContact O-N 3.17Å; A115-D119 PolarHBondContact O-N 3.42Å
116K45.5Very low46.1Very low95 Ų9597.8 Ų97.841%0.41353%0.532SS..Hα-helixtrans-67.5-26.7175.8-77.2-175.5171.9-1700113.8Q108 S112 V113 Q118 K120Q108-K116 VanDerWaalsContact CD-NZ 3.3Å; Q108-K116 VanDerWaalsContact NE2-CE 3.29Å; S112-K116 WeakPolarHBondContact O-CB 3.5Å; S112-K116 WeakPolarHBondContact O-CG 3.47Å; S112-K116 PolarHBondContact O-N 2.84Å; S112-K116 VanDerWaalsContact O-N 3.1Å; V113-K116 PolarHBondContact O-N 3.47Å; K116-Q118 VanDerWaalsContact C-N 3.28Å; K116-K120 VanDerWaalsContact O-CB 3.28Å; K116-K120 WeakPolarHBondContact O-CB 3.38Å; K116-K120 WeakPolarHBondContact O-CG 3.39Å; K116-K120 PolarHBondContact O-N 3.4Å
117L48Very low46.6Very low98 Ų98101.1 Ų101.151%0.51354%0.537SS..Hα-helixtrans-68.5-27.1173.9-93.6154.2000112.4V113 E114 A115V113-L117 HydrophobicContact CG1-CD1 4.17Å; V113-L117 WeakPolarHBondContact O-CB 3.31Å; V113-L117 PolarHBondContact O-N 3.11Å; E114-L117 WeakPolarHBondContact O-CB 3.19Å; E114-L117 PolarHBondContact O-N 3.1Å; A115-L117 VanDerWaalsContact C-N 3.3Å; A115-L117 PolarHBondContact O-N 2.92Å
118Q46.9Very low47.2Very low155 Ų155103 Ų10372%0.72455%0.547SS*.Hα-helixtrans-80.5-40174.3-66.2-175.73.500111.6E114 A115 K116E114-Q118 PolarHBondContact O-N 3.07Å; A115-Q118 PolarHBondContact O-N 3.13Å; A115-Q118 VanDerWaalsContact O-N 3.17Å; K116-Q118 VanDerWaalsContact C-N 3.28Å
119D46.7Very low48.8Very low131 Ų131102.6 Ų102.670%0.70155%0.551SS**Hα-helixtrans-76.3-30.5179.6-79.5-26.2000114.4A115 K121A115-D119 PolarHBondContact O-N 3.42Å; D119-K121 PolarHBondContact O-N 3.4Å
120K47.1Very low50.2Low124 Ų124106.2 Ų106.254%0.53958%0.578SS.*G310 helixtrans-773.7-179.4-77.4-162.5171.5-139.40115.1K116 A122 E125K116-K120 VanDerWaalsContact O-CB 3.28Å; K116-K120 WeakPolarHBondContact O-CB 3.38Å; K116-K120 WeakPolarHBondContact O-CG 3.39Å; K116-K120 PolarHBondContact O-N 3.4Å; K120-A122 PolarHBondContact O-N 3.11Å; K120-E125 IonicContact NZ-OE2 2.86Å; K120-E125 PolarHBondContact NZ-OE2 3.06Å
121K43.1Very low52.1Low176 Ų176111.8 Ų111.877%0.76560%0.601SS**G310 helixtrans-70-8170.7-80.9-176.4178176.50113.4D119D119-K121 PolarHBondContact O-N 3.4Å
122A47.8Very low53.8Low85 Ų85114.8 Ų114.870%0.70261%0.607SS**G310 helixtrans-102.9-11.4-17400000116.9K120K120-A122 PolarHBondContact O-N 3.11Å
123N42.5Very low55.4Low139 Ų139115.3 Ų115.374%0.74361%0.606SS**SBendtrans-132.6130.7-177.4-92-19.5000113.1E125N123-E125 PolarHBondContact O-N 2.8Å
124G40Very low57.2Low92 Ų92118.5 Ų118.595%0.94862%0.618SS**  trans-6940.7-168.400000117.8
125E48.5Very low59.3Low133 Ų133117.6 Ų117.662%0.62161%0.614SS**SBendtrans-80.2133.9169.3-67.9-177.515300110.4K120 N123 K127K120-E125 IonicContact NZ-OE2 2.86Å; K120-E125 PolarHBondContact NZ-OE2 3.06Å; N123-E125 PolarHBondContact O-N 2.8Å; E125-K127 PolarHBondContact O-N 3.22Å
126K51.6Low61.2Low208 Ų208118.7 Ų118.790%0.90461%0.612SS**  trans-37.6103.3176.9-77.3175.3176172.30111.5L128K126-L128 PolarHBondContact O-N 3.23Å
127K49.8Very low63.1Low182 Ų182118.3 Ų118.379%0.79161%0.608SS**  trans-56.1107.2175.9-80.3179.9177.41730108.9E125 T129E125-K127 PolarHBondContact O-N 3.22Å; K127-T129 PolarHBondContact O-N 3.19Å
128L63.8Low65.1Low80 Ų80119.7 Ų119.742%0.41961%0.61SS.*  trans-57.5131.2162.7-118.779.1000107.4K126 K132 L136K126-L128 PolarHBondContact O-N 3.23Å; L128-K132 HydrophobicContact CD2-CB 4.21Å; L128-K132 HydrophobicContact CD2-CD 4.19Å; L128-K132 HydrophobicContact CD2-CG 3.81Å; L128-K132 HydrophobicContact CG-CB 4.3Å; L128-K132 HydrophobicContact CG-CD 4.01Å; L128-K132 HydrophobicContact CG-CG 4.08Å; L128-L136 HydrophobicContact CD2-CD1 3.42Å; L128-L136 VanDerWaalsContact CD2-CD1 3.42Å
129T75.1Confident67.2Low86 Ų86117 Ų11753%0.52860%0.597SS.*  trans-58145.1173.553.60000109.4K127 E131 K132 L133K127-T129 PolarHBondContact O-N 3.19Å; T129-E131 PolarHBondContact O-N 3.29Å; T129-E131 VanDerWaalsContact O-N 3.17Å; T129-K132 PolarHBondContact O-N 2.8Å; T129-K132 WeakPolarHBondContact OG1-CB 3.39Å; T129-K132 PolarHBondContact OG1-N 2.85Å; T129-L133 PolarHBondContact O-N 3.32Å
130S80.7Confident69.3Low86 Ų86117.3 Ų117.360%0.60159%0.592SS**Hα-helixtrans-51.1-41.9179.4-167.30000111.2K132 L133 E134S130-K132 PolarHBondContact O-N 2.68Å; S130-L133 PolarHBondContact O-N 3.4Å; S130-E134 PolarHBondContact O-N 3.31Å
131E81.9Confident71.5Confident158 Ų158111.7 Ų111.774%0.73857%0.568SS**Hα-helixtrans-58.6-43.3176.1-61.9178.9166.800113T129 L133 E134 H135T129-E131 PolarHBondContact O-N 3.29Å; T129-E131 VanDerWaalsContact O-N 3.17Å; E131-L133 VanDerWaalsContact C-N 3.31Å; E131-L133 PolarHBondContact O-N 2.78Å; E131-E134 PolarHBondContact O-N 2.68Å; E131-H135 WeakPolarHBondContact O-CB 3.42Å; E131-H135 PolarHBondContact O-N 3.11Å
132K83Confident73.8Confident120 Ų120107.1 Ų107.152%0.52255%0.552SS.*Hα-helixtrans-69.5-33.2178.8-170.8166.8177178.10111.4L128 T129 S130 H135 L136L128-K132 HydrophobicContact CD2-CB 4.21Å; L128-K132 HydrophobicContact CD2-CD 4.19Å; L128-K132 HydrophobicContact CD2-CG 3.81Å; L128-K132 HydrophobicContact CG-CB 4.3Å; L128-K132 HydrophobicContact CG-CD 4.01Å; L128-K132 HydrophobicContact CG-CG 4.08Å; T129-K132 PolarHBondContact O-N 2.8Å; T129-K132 WeakPolarHBondContact OG1-CB 3.39Å; T129-K132 PolarHBondContact OG1-N 2.85Å; S130-K132 PolarHBondContact O-N 2.68Å; K132-H135 PolarHBondContact O-N 3.3Å; K132-L136 VanDerWaalsContact O-CG 3.31Å; K132-L136 WeakPolarHBondContact O-CG 3.27Å; K132-L136 PolarHBondContact O-N 2.94Å
133L82.9Confident76Confident62 Ų62110.1 Ų110.133%0.32555%0.55SS..Hα-helixtrans-71-41177.2-153.7143.1000111.3V113 T129 S130 E131 L136 R137V113-L133 HydrophobicContact CG1-CD2 3.57Å; T129-L133 PolarHBondContact O-N 3.32Å; S130-L133 PolarHBondContact O-N 3.4Å; E131-L133 VanDerWaalsContact C-N 3.31Å; E131-L133 PolarHBondContact O-N 2.78Å; L133-L136 PolarHBondContact O-N 3.33Å; L133-R137 WeakPolarHBondContact O-CB 3.34Å; L133-R137 PolarHBondContact O-N 2.82Å
134E85Confident78.5Confident99 Ų99104.4 Ų104.446%0.46352%0.518SS..Hα-helixtrans-63.1-40.7170.7-74.8-175.6-166.400112.6S130 E131 R137 K138S130-E134 PolarHBondContact O-N 3.31Å; E131-E134 PolarHBondContact O-N 2.68Å; E134-R137 PolarHBondContact O-N 2.85Å; E134-K138 WeakPolarHBondContact O-CG 3.43Å; E134-K138 PolarHBondContact O-N 2.83Å
135H87.1Confident81.1Confident109 Ų109101.1 Ų101.151%0.50548%0.477SS..Hα-helixtrans-60.3-51.1176-171.7-83.6000111.3E131 K132 R137 K138 E139E131-H135 WeakPolarHBondContact O-CB 3.42Å; E131-H135 PolarHBondContact O-N 3.11Å; K132-H135 PolarHBondContact O-N 3.3Å; H135-R137 VanDerWaalsContact C-N 3.27Å; H135-R137 PolarHBondContact O-N 2.84Å; H135-K138 PolarHBondContact O-N 2.87Å; H135-K138 VanDerWaalsContact O-N 3.15Å; H135-E139 IonicContact CE1-OE1 3.62Å; H135-E139 PolarHBondContact CE1-OE1 3.25Å; H135-E139 IonicContact CE1-OE2 2.91Å; H135-E139 VanDerWaalsContact ND1-CD 3.34Å; H135-E139 IonicContact ND1-OE1 3.25Å; H135-E139 IonicContact ND1-OE2 3.14Å; H135-E139 PolarHBondContact ND1-OE2 2.88Å; H135-E139 WeakPolarHBondContact O-CG 3.36Å; H135-E139 PolarHBondContact O-N 3.29Å
136L87.3Confident83.2Confident74 Ų74100.1 Ų100.139%0.38748%0.476SS..Hα-helixtrans-60.2-37.5177.1-72.9173000112.3L128 K132 L133 E139 K140L128-L136 HydrophobicContact CD2-CD1 3.42Å; L128-L136 VanDerWaalsContact CD2-CD1 3.42Å; K132-L136 VanDerWaalsContact O-CG 3.31Å; K132-L136 WeakPolarHBondContact O-CG 3.27Å; K132-L136 PolarHBondContact O-N 2.94Å; L133-L136 PolarHBondContact O-N 3.33Å; L136-E139 PolarHBondContact O-N 3.35Å; L136-K140 WeakPolarHBondContact O-CG 3.38Å; L136-K140 PolarHBondContact O-N 3.26Å
137R86.7Confident85.2Confident88 Ų8897.6 Ų97.633%0.33247%0.465SS..Hα-helixtrans-63.3-48.6174.2174.3174.3165.4-147.5-7.3111.2L133 E134 H135 E139 K140 I141 D159L133-R137 WeakPolarHBondContact O-CB 3.34Å; L133-R137 PolarHBondContact O-N 2.82Å; E134-R137 PolarHBondContact O-N 2.85Å; H135-R137 VanDerWaalsContact C-N 3.27Å; H135-R137 PolarHBondContact O-N 2.84Å; R137-E139 VanDerWaalsContact C-N 3.3Å; R137-E139 PolarHBondContact O-N 3.39Å; R137-K140 PolarHBondContact O-N 3.18Å; R137-I141 HydrophobicContact CG-CD1 3.62Å; R137-I141 HydrophobicContact CG-CG1 4.44Å; R137-I141 WeakPolarHBondContact O-CD1 3.48Å; R137-I141 VanDerWaalsContact O-CG1 3.27Å; R137-I141 WeakPolarHBondContact O-CG1 3.26Å; R137-I141 PolarHBondContact O-N 3Å; R137-D159 IonicContact CZ-OD2 2.78Å; R137-D159 VanDerWaalsContact CZ-OD2 3.31Å; R137-D159 IonicContact NE-OD2 3.18Å; R137-D159 PolarHBondContact NE-OD2 3.13Å; R137-D159 VanDerWaalsContact NE-OD2 3.1Å; R137-D159 VanDerWaalsContact NH2-CG 3.29Å; R137-D159 IonicContact NH2-OD1 3.98Å; R137-D159 PolarHBondContact NH2-OD1 3.4Å; R137-D159 IonicContact NH2-OD2 2.75Å; R137-D159 PolarHBondContact NH2-OD2 2.83Å
138K89.1Confident87.2Confident127 Ų12791.3 Ų91.355%0.55244%0.438SS*.Hα-helixtrans-58.8-41.3176.9-74.5171.9-178.8168.10111.5E134 H135 I141 N142E134-K138 WeakPolarHBondContact O-CG 3.43Å; E134-K138 PolarHBondContact O-N 2.83Å; H135-K138 PolarHBondContact O-N 2.87Å; H135-K138 VanDerWaalsContact O-N 3.15Å; K138-I141 PolarHBondContact O-N 3.2Å; K138-N142 VanDerWaalsContact O-CB 3.31Å; K138-N142 WeakPolarHBondContact O-CB 3.47Å; K138-N142 PolarHBondContact O-N 3.1Å; K138-N142 PolarHBondContact O-ND2 3.41Å
139E90.9Very high88.5Confident98 Ų9892.2 Ų92.246%0.45844%0.439SS..Hα-helixtrans-62.7-46.6175.4-73.3-179.6136.300112.4H135 L136 R137 I141 N142 F143H135-E139 IonicContact CE1-OE1 3.62Å; H135-E139 PolarHBondContact CE1-OE1 3.25Å; H135-E139 IonicContact CE1-OE2 2.91Å; H135-E139 VanDerWaalsContact ND1-CD 3.34Å; H135-E139 IonicContact ND1-OE1 3.25Å; H135-E139 IonicContact ND1-OE2 3.14Å; H135-E139 PolarHBondContact ND1-OE2 2.88Å; H135-E139 WeakPolarHBondContact O-CG 3.36Å; H135-E139 PolarHBondContact O-N 3.29Å; L136-E139 PolarHBondContact O-N 3.35Å; R137-E139 VanDerWaalsContact C-N 3.3Å; R137-E139 PolarHBondContact O-N 3.39Å; E139-I141 VanDerWaalsContact C-N 3.34Å; E139-I141 PolarHBondContact O-N 3.36Å; E139-N142 PolarHBondContact O-N 2.84Å; E139-F143 WeakPolarHBondContact O-CB 3.49Å; E139-F143 PolarHBondContact O-N 3.37Å
140K91.3Very high89.4Confident137 Ų13788.3 Ų88.360%0.59642%0.415SS*.Hα-helixtrans-59.8-43.7176.1-75.5-178.6179.3-172.60112.2L136 R137 F143 F144L136-K140 WeakPolarHBondContact O-CG 3.38Å; L136-K140 PolarHBondContact O-N 3.26Å; R137-K140 PolarHBondContact O-N 3.18Å; K140-F143 PolarHBondContact O-N 3.24Å; K140-F144 PolarHBondContact O-N 3.46Å
141I92.8Very high90Very high6 Ų688.6 Ų88.63%0.03141%0.407CS..Hα-helixtrans-65.8-42.8177.9-65157.8000110.6W109 R137 K138 E139 F143 F144 R145 D159 P160W109-I141 HydrophobicContact CZ3-CG1 4.38Å; R137-I141 HydrophobicContact CG-CD1 3.62Å; R137-I141 HydrophobicContact CG-CG1 4.44Å; R137-I141 WeakPolarHBondContact O-CD1 3.48Å; R137-I141 VanDerWaalsContact O-CG1 3.27Å; R137-I141 WeakPolarHBondContact O-CG1 3.26Å; R137-I141 PolarHBondContact O-N 3Å; K138-I141 PolarHBondContact O-N 3.2Å; E139-I141 VanDerWaalsContact C-N 3.34Å; E139-I141 PolarHBondContact O-N 3.36Å; I141-F143 VanDerWaalsContact C-N 3.33Å; I141-F143 PolarHBondContact O-N 2.87Å; I141-F144 WeakPolarHBondContact O-CB 3.25Å; I141-F144 PolarHBondContact O-N 3.14Å; I141-R145 HydrophobicContact CG2-CG 4.41Å; I141-R145 VanDerWaalsContact CG2-CZ 3.4Å; I141-R145 WeakPolarHBondContact O-CB 3.3Å; I141-R145 WeakPolarHBondContact O-CG 3.33Å; I141-R145 PolarHBondContact O-N 2.93Å; I141-D159 VanDerWaalsContact CD1-CG 3.45Å; I141-D159 WeakPolarHBondContact CD1-OD1 3.12Å; I141-D159 WeakPolarHBondContact CD1-OD2 3.46Å; I141-P160 HydrophobicContact CG2-CG 4.21Å
142N92.6Very high90.6Very high80 Ų8082.4 Ų82.443%0.42838%0.379SS..Hα-helixtrans-65.3-38.4177.7-72.3-18.7000111.5K138 E139 R145 N146K138-N142 VanDerWaalsContact O-CB 3.31Å; K138-N142 WeakPolarHBondContact O-CB 3.47Å; K138-N142 PolarHBondContact O-N 3.1Å; K138-N142 PolarHBondContact O-ND2 3.41Å; E139-N142 PolarHBondContact O-N 2.84Å; N142-R145 PolarHBondContact O-N 3.31Å; N142-N146 WeakPolarHBondContact O-CB 3.45Å; N142-N146 PolarHBondContact O-N 3.3Å; N142-N146 PolarHBondContact O-ND2 3.27Å
143F93.6Very high91.1Very high148 Ų14881.2 Ų81.265%0.64938%0.376SS*.Hα-helixtrans-61.1-45.4171.8-178.4-95.8000111.7E139 K140 I141 N146 K147E139-F143 WeakPolarHBondContact O-CB 3.49Å; E139-F143 PolarHBondContact O-N 3.37Å; K140-F143 PolarHBondContact O-N 3.24Å; I141-F143 VanDerWaalsContact C-N 3.33Å; I141-F143 PolarHBondContact O-N 2.87Å; F143-N146 PolarHBondContact O-N 2.94Å; F143-K147 WeakPolarHBondContact O-CB 3.23Å; F143-K147 PolarHBondContact O-N 3.49Å
144F94.6Very high91.5Very high20 Ų2080.3 Ų80.39%0.08838%0.381CS..Hα-helixtrans-60.8-46.7175.7-176.9-93.7000112.1I107 K140 I141 N146 K147 H148 P160 A162 M194I107-F144 HydrophobicContact CD1-CB 4.09Å; I107-F144 HydrophobicContact CD1-CD2 3.49Å; I107-F144 VanDerWaalsContact CD1-CD2 3.49Å; I107-F144 HydrophobicContact CD1-CE2 4.09Å; I107-F144 HydrophobicContact CD1-CG 3.89Å; K140-F144 PolarHBondContact O-N 3.46Å; I141-F144 WeakPolarHBondContact O-CB 3.25Å; I141-F144 PolarHBondContact O-N 3.14Å; F144-N146 VanDerWaalsContact C-N 3.35Å; F144-N146 PolarHBondContact O-N 2.88Å; F144-K147 WeakPolarHBondContact O-CB 3.42Å; F144-K147 PolarHBondContact O-N 3.39Å; F144-H148 AromaticContact CD2-CD2 3.91Å; F144-H148 AromaticContact CE1-CD2 3.75Å; F144-H148 AromaticContact CE2-CD2 3.57Å; F144-H148 AromaticContact CE2-NE2 3.44Å; F144-H148 WeakPolarHBondContact CE2-NE2 3.2Å; F144-H148 AromaticContact CZ-CD2 3.48Å; F144-H148 VanDerWaalsContact CZ-CD2 3.48Å; F144-H148 WeakPolarHBondContact CZ-CD2 3.21Å; F144-H148 AromaticContact CZ-NE2 3.58Å; F144-H148 PolarHBondContact O-CD2 3.35Å; F144-H148 PolarHBondContact O-N 3.37Å; F144-H148 VanDerWaalsContact O-N 3.08Å; F144-P160 HydrophobicContact CD1-CB 4.26Å; F144-P160 HydrophobicContact CD1-CG 3.63Å; F144-P160 HydrophobicContact CE1-CB 4.07Å; F144-P160 HydrophobicContact CE1-CG 3.93Å; F144-A162 HydrophobicContact CE2-CB 3.96Å; F144-A162 HydrophobicContact CZ-CB 3.79Å; F144-M194 HydrophobicContact CE1-SD 3.87Å; F144-M194 HydrophobicContact CZ-CE 4.18Å; F144-M194 HydrophobicContact CZ-SD 3.77Å
145R95Very high91.8Very high23 Ų2379 Ų799%0.08738%0.38CS..Hα-helixtrans-57.6-46.9174.9-76.1177.4178.7138.22.3111.2I141 N142 K147 H148 K149 I150 P158 P160I141-R145 HydrophobicContact CG2-CG 4.41Å; I141-R145 VanDerWaalsContact CG2-CZ 3.4Å; I141-R145 WeakPolarHBondContact O-CB 3.3Å; I141-R145 WeakPolarHBondContact O-CG 3.33Å; I141-R145 PolarHBondContact O-N 2.93Å; N142-R145 PolarHBondContact O-N 3.31Å; R145-K147 PolarHBondContact O-N 2.87Å; R145-H148 CarbonylContact O-C 3.03Å; R145-H148 PolarHBondContact O-N 3.44Å; R145-K149 PolarHBondContact O-N 3.39Å; R145-I150 HydrophobicContact CB-CB 4.17Å; R145-I150 HydrophobicContact CG-CB 4.29Å; R145-I150 HydrophobicContact CG-CG2 4.45Å; R145-I150 PolarHBondContact O-N 3.23Å; R145-P158 PolarHBondContact NH2-O 3.39Å; R145-P158 VanDerWaalsContact NH2-O 3.14Å; R145-P160 HydrophobicContact CG-CG 4.36Å
146N92.9Very high91.8Very high112 Ų11279.9 Ų79.960%0.59939%0.388SS*.Hα-helixtrans-61.7-44.4177.6-71.3-17.1000112N142 F143 F144 H148 K149N142-N146 WeakPolarHBondContact O-CB 3.45Å; N142-N146 PolarHBondContact O-N 3.3Å; N142-N146 PolarHBondContact O-ND2 3.27Å; F143-N146 PolarHBondContact O-N 2.94Å; F144-N146 VanDerWaalsContact C-N 3.35Å; F144-N146 PolarHBondContact O-N 2.88Å; N146-H148 VanDerWaalsContact C-N 3.26Å; N146-H148 PolarHBondContact O-N 3.39Å; N146-K149 PolarHBondContact O-N 3.24Å
147K93.6Very high92.1Very high154 Ų15478.8 Ų78.867%0.6738%0.383SS*.Hα-helixtrans-56.3-40.3176.2-177.5-179.1179-179.90112F143 F144 R145F143-K147 WeakPolarHBondContact O-CB 3.23Å; F143-K147 PolarHBondContact O-N 3.49Å; F144-K147 WeakPolarHBondContact O-CB 3.42Å; F144-K147 PolarHBondContact O-N 3.39Å; R145-K147 PolarHBondContact O-N 2.87Å
148H91.4Very high92.4Very high50 Ų5075 Ų7523%0.23137%0.37CS..THydrogen-bonded Turntrans-92.610.6179.4-70.5-75.6000114F144 R145 N146 I150 P191 M194F144-H148 AromaticContact CD2-CD2 3.91Å; F144-H148 AromaticContact CE1-CD2 3.75Å; F144-H148 AromaticContact CE2-CD2 3.57Å; F144-H148 AromaticContact CE2-NE2 3.44Å; F144-H148 WeakPolarHBondContact CE2-NE2 3.2Å; F144-H148 AromaticContact CZ-CD2 3.48Å; F144-H148 VanDerWaalsContact CZ-CD2 3.48Å; F144-H148 WeakPolarHBondContact CZ-CD2 3.21Å; F144-H148 AromaticContact CZ-NE2 3.58Å; F144-H148 PolarHBondContact O-CD2 3.35Å; F144-H148 PolarHBondContact O-N 3.37Å; F144-H148 VanDerWaalsContact O-N 3.08Å; R145-H148 CarbonylContact O-C 3.03Å; R145-H148 PolarHBondContact O-N 3.44Å; N146-H148 VanDerWaalsContact C-N 3.26Å; N146-H148 PolarHBondContact O-N 3.39Å; H148-I150 HydrophobicContact CB-CD1 3.79Å; H148-I150 HydrophobicContact CB-CG1 3.75Å; H148-I150 PolarHBondContact O-N 3.11Å; H148-P191 HydrophobicContact CB-CB 4.29Å; H148-P191 HydrophobicContact CB-CG 4.34Å; H148-M194 HydrophobicContact CB-SD 4.42Å
149K91.3Very high92.6Very high100 Ų10069.9 Ų69.944%0.43535%0.348SS..THydrogen-bonded Turntrans53.333.5-176.8-56.3-179.5176178.50113R145 N146 H151 G378 E385R145-K149 PolarHBondContact O-N 3.39Å; N146-K149 PolarHBondContact O-N 3.24Å; K149-H151 PolarHBondContact O-ND1 3.33Å; K149-G378 PolarHBondContact O-N 3.36Å; K149-E385 IonicContact NZ-OE1 3.67Å; K149-E385 PolarHBondContact NZ-OE1 3.14Å; K149-E385 IonicContact NZ-OE2 2.68Å; K149-E385 PolarHBondContact NZ-OE2 2.98Å
150I94.3Very high92.8Very high3 Ų365.2 Ų65.22%0.01533%0.327CS..EExtended strand (participates in β ladder)trans-90.4120.5179.1-51.7176.7000108.8R145 H148 V152 P191 M194 Q195 V375 I377R145-I150 HydrophobicContact CB-CB 4.17Å; R145-I150 HydrophobicContact CG-CB 4.29Å; R145-I150 HydrophobicContact CG-CG2 4.45Å; R145-I150 PolarHBondContact O-N 3.23Å; H148-I150 HydrophobicContact CB-CD1 3.79Å; H148-I150 HydrophobicContact CB-CG1 3.75Å; H148-I150 PolarHBondContact O-N 3.11Å; I150-V152 HydrophobicContact CG2-CG2 3.72Å; I150-P191 HydrophobicContact CD1-CB 4.32Å; I150-P191 WeakPolarHBondContact CD1-O 3.46Å; I150-P191 HydrophobicContact CG1-CB 4.05Å; I150-M194 HydrophobicContact CD1-CB 4.2Å; I150-M194 HydrophobicContact CD1-SD 4.39Å; I150-Q195 HydrophobicContact CD1-CB 4.47Å; I150-Q195 HydrophobicContact CG2-CB 3.9Å; I150-Q195 HydrophobicContact CG2-CG 4.05Å; I150-V375 HydrophobicContact CG2-CG1 4.28Å; I150-I377 HydrophobicContact CB-CD1 4.19Å; I150-I377 HydrophobicContact CG1-CD1 3.87Å; I150-I377 HydrophobicContact CG2-CD1 4.03Å
151H93.6Very high93Very high93 Ų9358.8 Ų58.843%0.43130%0.299SS..EExtended strand (participates in β ladder)trans-111.2129.6171.1-50.281.1000108.9K149 V375 S376K149-H151 PolarHBondContact O-ND1 3.33Å; H151-V375 WeakPolarHBondContact O-CA 3.43Å; H151-S376 WeakPolarHBondContact CB-OG 3.48Å; H151-S376 PolarHBondContact N-O 3.39Å; H151-S376 PolarHBondContact O-N 2.88Å
152V94Very high93Very high27 Ų2759.5 Ų59.516%0.16431%0.305CS..EExtended strand (participates in β ladder)trans-127.3136.6-176.8-167.40000109.3I150 L157 Q195 V373 S374 V375I150-V152 HydrophobicContact CG2-CG2 3.72Å; V152-L157 HydrophobicContact CB-CD1 4.13Å; V152-L157 HydrophobicContact CG1-CD1 3.72Å; V152-L157 HydrophobicContact CG1-CD2 3.62Å; V152-L157 HydrophobicContact CG1-CG 4.19Å; V152-Q195 HydrophobicContact CG2-CG 3.59Å; V152-V373 HydrophobicContact CG1-CG1 3.88Å; V152-S374 CarbonylContact C-O 3.57Å; V152-S374 WeakPolarHBondContact CA-O 3.22Å; V152-V375 HydrophobicContact CG1-CG2 4.23Å
153Q93.5Very high93.1Very high96 Ų9658 Ų5845%0.44930%0.299SS..EExtended strand (participates in β ladder)trans-131.8139.3175.8-60-176.9-22.600109.3V373 S374Q153-V373 CarbonylContact O-C 3.54Å; Q153-V373 WeakPolarHBondContact O-CA 3.4Å; Q153-S374 PolarHBondContact N-O 3.4Å; Q153-S374 PolarHBondContact O-N 2.76Å
154G91.6Very high93.1Very high43 Ų4351 Ų5144%0.44327%0.269SS..SBendtrans140.5176-178.300000111.4
155T90.9Very high93Very high70 Ų7054.1 Ų54.143%0.42928%0.283SS..SBendtrans-92.7160.4171.574.40000110.8L157 R204 N371T155-L157 PolarHBondContact O-N 2.64Å; T155-R204 PolarHBondContact O-NH1 3.5Å; T155-R204 PolarHBondContact O-NH2 3.23Å; T155-N371 PolarHBondContact OG1-ND2 3.46Å; T155-N371 PolarHBondContact OG1-OD1 3.3Å
156D87.7Confident92.8Very high128 Ų12853.9 Ų53.968%0.68428%0.283SS*.SBendtrans5055.4170.5-41.6-57.3000112.7P158 R204D156-P158 WeakPolarHBondContact O-CD 3.5Å; D156-R204 PolarHBondContact O-NH1 3.16Å; D156-R204 VanDerWaalsContact O-NH1 3.09Å
157L92.5Very high92.7Very high51 Ų5148.5 Ų48.527%0.26726%0.255SS..PPolyproline II helixtrans-78.8118.9-172.5-59.9179.1000110.3V152 T155 V373V152-L157 HydrophobicContact CB-CD1 4.13Å; V152-L157 HydrophobicContact CG1-CD1 3.72Å; V152-L157 HydrophobicContact CG1-CD2 3.62Å; V152-L157 HydrophobicContact CG1-CG 4.19Å; T155-L157 PolarHBondContact O-N 2.64Å; L157-V373 HydrophobicContact CD2-CG1 3.75Å; L157-V373 HydrophobicContact CD2-CG2 4.13Å
158P92.9Very high92.6Very high10 Ų1045 Ų457%0.06524%0.243CC..PPolyproline II helixtrans-67.9152.317426.7-31000111R145 D156 Q195 P198 V199R145-P158 PolarHBondContact NH2-O 3.39Å; R145-P158 VanDerWaalsContact NH2-O 3.14Å; D156-P158 WeakPolarHBondContact O-CD 3.5Å; P158-Q195 PolarHBondContact O-NE2 3.49Å; P158-P198 HydrophobicContact CB-CB 3.93Å; P158-P198 HydrophobicContact CG-CB 4.07Å; P158-V199 HydrophobicContact CG-CB 4.24Å; P158-V199 HydrophobicContact CG-CG2 3.68Å
159D93.9Very high92.5Very high18 Ų1848.7 Ų48.710%0.09626%0.261CS..PPolyproline II helixtrans-65.5140.9178.2-75.59.8000110.3W109 R137 I141 P198W109-D159 HydrophobicContact CE3-CB 3.85Å; W109-D159 HydrophobicContact CZ3-CB 3.58Å; R137-D159 IonicContact CZ-OD2 2.78Å; R137-D159 VanDerWaalsContact CZ-OD2 3.31Å; R137-D159 IonicContact NE-OD2 3.18Å; R137-D159 PolarHBondContact NE-OD2 3.13Å; R137-D159 VanDerWaalsContact NE-OD2 3.1Å; R137-D159 VanDerWaalsContact NH2-CG 3.29Å; R137-D159 IonicContact NH2-OD1 3.98Å; R137-D159 PolarHBondContact NH2-OD1 3.4Å; R137-D159 IonicContact NH2-OD2 2.75Å; R137-D159 PolarHBondContact NH2-OD2 2.83Å; I141-D159 VanDerWaalsContact CD1-CG 3.45Å; I141-D159 WeakPolarHBondContact CD1-OD1 3.12Å; I141-D159 WeakPolarHBondContact CD1-OD2 3.46Å; D159-P198 WeakPolarHBondContact O-CB 3.4Å; D159-P198 WeakPolarHBondContact O-CG 3.29Å
160P95.6Very high92.3Very high1 Ų146.1 Ų46.11%0.00625%0.25CS..PPolyproline II helixtrans-72.4142.8175.830.1-32.6000110.4W109 I141 F144 R145 M194 Q195W109-P160 HydrophobicContact CH2-CG 4.41Å; W109-P160 WeakPolarHBondContact CH2-O 3.41Å; W109-P160 VanDerWaalsContact CZ2-O 3.32Å; W109-P160 WeakPolarHBondContact CZ2-O 3.39Å; W109-P160 WeakPolarHBondContact CZ3-O 3.45Å; I141-P160 HydrophobicContact CG2-CG 4.21Å; F144-P160 HydrophobicContact CD1-CB 4.26Å; F144-P160 HydrophobicContact CD1-CG 3.63Å; F144-P160 HydrophobicContact CE1-CB 4.07Å; F144-P160 HydrophobicContact CE1-CG 3.93Å; R145-P160 HydrophobicContact CG-CG 4.36Å; P160-M194 CarbonylContact C-O 3.28Å; P160-M194 WeakPolarHBondContact CA-O 3.35Å; P160-M194 HydrophobicContact CB-CB 4.39Å; P160-Q195 HydrophobicContact CB-CB 4.5Å
161I94.9Very high92.2Very high1 Ų148.6 Ų48.61%0.00526%0.26CS..PPolyproline II helixtrans-79.6142168.759.9175.4000110.3Q166 L167 Y171 P189 M194 I197 P198I161-Q166 VanDerWaalsContact CA-OE1 3.32Å; I161-Q166 HydrophobicContact CB-CB 4.36Å; I161-Q166 HydrophobicContact CG2-CB 4.14Å; I161-L167 HydrophobicContact CD1-CD1 4.06Å; I161-L167 HydrophobicContact CD1-CD2 3.71Å; I161-L167 HydrophobicContact CD1-CG 3.77Å; I161-L167 HydrophobicContact CG2-CD2 4.31Å; I161-Y171 HydrophobicContact CG2-CE2 4.48Å; I161-P189 HydrophobicContact CG1-CG 4.4Å; I161-M194 PolarHBondContact N-O 3.04Å; I161-M194 WeakPolarHBondContact O-CA 3.47Å; I161-M194 WeakPolarHBondContact O-CB 3.45Å; I161-M194 WeakPolarHBondContact O-CG 3.45Å; I161-I197 HydrophobicContact CD1-CB 4.48Å; I161-I197 HydrophobicContact CD1-CD1 4.3Å; I161-P198 HydrophobicContact CG1-CG 4.42Å; I161-P198 HydrophobicContact CG2-CG 3.9Å
162A93.1Very high92.1Very high21 Ų2152.9 Ų52.917%0.17428%0.277CS..SBendtrans-92.9-30.7172.200000112.8W109 F144 P189W109-A162 HydrophobicContact CZ2-CB 4.45Å; F144-A162 HydrophobicContact CE2-CB 3.96Å; F144-A162 HydrophobicContact CZ-CB 3.79Å; A162-P189 WeakPolarHBondContact O-CD 3.25Å; A162-P189 WeakPolarHBondContact O-CG 3.32Å
163T94.7Very high92Very high49 Ų4951.8 Ų51.830%0.30127%0.27SS..SBendtrans-136.5159-178.370.10000111.3Q165 Q166T163-Q165 VanDerWaalsContact C-N 3.26Å; T163-Q165 VanDerWaalsContact CB-OE1 3.27Å; T163-Q165 PolarHBondContact O-N 3.14Å; T163-Q165 PolarHBondContact OG1-OE1 3.23Å; T163-Q166 PolarHBondContact O-N 2.81Å
164F93.7Very high91.9Very high0 Ų049.9 Ų49.90%027%0.267CS..THydrogen-bonded Turntrans-68.8-25.7176.5-70.7-64.2000112.7Q166 L167 L178 I181 F186 V188 P189 I222F164-Q166 PolarHBondContact O-N 3.29Å; F164-L167 HydrophobicContact CD1-CD1 4.04Å; F164-L167 VanDerWaalsContact O-CB 3.26Å; F164-L167 WeakPolarHBondContact O-CB 3.33Å; F164-L167 PolarHBondContact O-N 3.26Å; F164-L178 HydrophobicContact CB-CD1 3.9Å; F164-I181 HydrophobicContact CD1-CG2 4.13Å; F164-I181 HydrophobicContact CD2-CG2 3.97Å; F164-I181 HydrophobicContact CE1-CG2 4.11Å; F164-I181 HydrophobicContact CE2-CG2 3.94Å; F164-I181 HydrophobicContact CG-CG2 4.07Å; F164-I181 HydrophobicContact CZ-CG2 4.01Å; F164-F186 WeakPolarHBondContact CD2-O 3.49Å; F164-F186 HydrophobicContact CE2-CB 3.83Å; F164-F186 VanDerWaalsContact CE2-O 3.28Å; F164-F186 WeakPolarHBondContact CE2-O 3.45Å; F164-F186 HydrophobicContact CZ-CB 4.21Å; F164-V188 VanDerWaalsContact CE2-C 3.46Å; F164-P189 HydrophobicContact CD1-CB 4.44Å; F164-P189 HydrophobicContact CE1-CB 3.92Å; F164-P189 HydrophobicContact CE2-CB 4.35Å; F164-P189 HydrophobicContact CZ-CB 3.88Å; F164-I222 HydrophobicContact CE1-CD1 3.82Å
165Q92.3Very high91.9Very high86 Ų8652.7 Ų52.740%0.40228%0.278SS..THydrogen-bonded Turntrans-63.4-28.3176.3-65.781.6-1.800112.4T163 L167 D168 Q169T163-Q165 VanDerWaalsContact C-N 3.26Å; T163-Q165 VanDerWaalsContact CB-OE1 3.27Å; T163-Q165 PolarHBondContact O-N 3.14Å; T163-Q165 PolarHBondContact OG1-OE1 3.23Å; Q165-L167 PolarHBondContact O-N 2.76Å; Q165-D168 WeakPolarHBondContact O-CB 3.25Å; Q165-D168 PolarHBondContact O-N 3.16Å; Q165-Q169 PolarHBondContact O-N 3.3Å
166Q91.1Very high92.1Very high18 Ų1854.6 Ų54.68%0.08428%0.277CS..Hα-helixtrans-64.7-23.3175-71.7168.32.500112.6I161 T163 F164 D168 Q169 E170I161-Q166 VanDerWaalsContact CA-OE1 3.32Å; I161-Q166 HydrophobicContact CB-CB 4.36Å; I161-Q166 HydrophobicContact CG2-CB 4.14Å; T163-Q166 PolarHBondContact O-N 2.81Å; F164-Q166 PolarHBondContact O-N 3.29Å; Q166-D168 PolarHBondContact O-N 3.22Å; Q166-Q169 PolarHBondContact O-N 3.47Å; Q166-E170 WeakPolarHBondContact O-CB 3.17Å; Q166-E170 PolarHBondContact O-N 2.88Å
167L91Very high92.4Very high0 Ų048.7 Ų48.70%025%0.246CC..Hα-helixtrans-65.4-30.5173-66175.1000112.6I161 F164 Q165 Y171 K172 I173 I197 L201 I222 M226I161-L167 HydrophobicContact CD1-CD1 4.06Å; I161-L167 HydrophobicContact CD1-CD2 3.71Å; I161-L167 HydrophobicContact CD1-CG 3.77Å; I161-L167 HydrophobicContact CG2-CD2 4.31Å; F164-L167 HydrophobicContact CD1-CD1 4.04Å; F164-L167 VanDerWaalsContact O-CB 3.26Å; F164-L167 WeakPolarHBondContact O-CB 3.33Å; F164-L167 PolarHBondContact O-N 3.26Å; Q165-L167 PolarHBondContact O-N 2.76Å; L167-Y171 HydrophobicContact CD2-CD2 3.97Å; L167-Y171 CarbonylContact O-C 3.27Å; L167-Y171 WeakPolarHBondContact O-CA 3.33Å; L167-Y171 WeakPolarHBondContact O-CB 3.47Å; L167-Y171 PolarHBondContact O-N 3.27Å; L167-Y171 VanDerWaalsContact O-N 3.1Å; L167-K172 PolarHBondContact O-N 3.05Å; L167-I173 HydrophobicContact CB-CB 4.09Å; L167-I173 HydrophobicContact CB-CD1 4.16Å; L167-I173 HydrophobicContact CB-CG2 4.16Å; L167-I173 HydrophobicContact CD1-CD1 4Å; L167-I173 PolarHBondContact O-N 3Å; L167-I197 HydrophobicContact CD1-CG2 4.41Å; L167-I197 HydrophobicContact CD2-CG2 3.73Å; L167-L201 HydrophobicContact CD2-CD1 3.94Å; L167-I222 HydrophobicContact CD1-CG2 4Å; L167-M226 HydrophobicContact CB-CE 4.42Å; L167-M226 HydrophobicContact CD1-SD 4.42Å; L167-M226 HydrophobicContact CD2-CE 4.46Å
168D90.1Very high92.5Very high79 Ų7947.5 Ų47.542%0.42224%0.24SC..Hα-helixtrans-72.3-48.6173.7-169.939000110.7Q165 Q166 E170 K172 I173 L178Q165-D168 WeakPolarHBondContact O-CB 3.25Å; Q165-D168 PolarHBondContact O-N 3.16Å; Q166-D168 PolarHBondContact O-N 3.22Å; D168-E170 PolarHBondContact O-N 3.44Å; D168-K172 WeakPolarHBondContact O-CA 3.39Å; D168-K172 PolarHBondContact O-N 3.32Å; D168-K172 VanDerWaalsContact O-N 3.1Å; D168-I173 HydrophobicContact CB-CG2 3.79Å; D168-L178 HydrophobicContact CB-CD2 4.49Å
169Q88.9Confident92.6Very high129 Ų12951.4 Ų51.460%0.60326%0.257SS*.Hα-helixtrans-62.9-43.1-177.1-63.71730.400113.3Q165 Q166Q165-Q169 PolarHBondContact O-N 3.3Å; Q166-Q169 PolarHBondContact O-N 3.47Å
170E88.8Confident92.6Very high46 Ų4650.9 Ų50.922%0.21525%0.254CS..Hα-helixtrans-96.8-35.6-174.5-67.8-176.2-167.400113.4W109 Q166 D168W109-E170 WeakPolarHBondContact CB-OE1 3.34Å; Q166-E170 WeakPolarHBondContact O-CB 3.17Å; Q166-E170 PolarHBondContact O-N 2.88Å; D168-E170 PolarHBondContact O-N 3.44Å
171Y91.8Very high92.6Very high54 Ų5450.9 Ų50.921%0.21225%0.254CS..Hα-helixtrans-121.8-0.8-167.6-57.3-82.3000114.2I161 L167 L201 H202I161-Y171 HydrophobicContact CG2-CE2 4.48Å; L167-Y171 HydrophobicContact CD2-CD2 3.97Å; L167-Y171 CarbonylContact O-C 3.27Å; L167-Y171 WeakPolarHBondContact O-CA 3.33Å; L167-Y171 WeakPolarHBondContact O-CB 3.47Å; L167-Y171 PolarHBondContact O-N 3.27Å; L167-Y171 VanDerWaalsContact O-N 3.1Å; Y171-L201 HydrophobicContact CD1-CB 3.92Å; Y171-L201 HydrophobicContact CD1-CD1 3.71Å; Y171-L201 HydrophobicContact CD1-CG 4.4Å; Y171-L201 HydrophobicContact CD2-CD1 3.83Å; Y171-L201 HydrophobicContact CE1-CB 4Å; Y171-L201 HydrophobicContact CE1-CD1 4.19Å; Y171-L201 HydrophobicContact CE2-CD1 4.33Å; Y171-L201 HydrophobicContact CG-CD1 3.52Å; Y171-H202 AromaticContact CE1-CD2 3.81Å; Y171-H202 AromaticContact CE1-NE2 3.69Å; Y171-H202 AromaticContact CZ-NE2 3.94Å; Y171-H202 PolarHBondContact OH-NE2 3.44Å
172K90.6Very high92.5Very high184 Ų18452.8 Ų52.880%0.826%0.264SS*.  trans53.557.7180-56.9-177.7179.9-177.50112.6L167 D168L167-K172 PolarHBondContact O-N 3.05Å; D168-K172 WeakPolarHBondContact O-CA 3.39Å; D168-K172 PolarHBondContact O-N 3.32Å; D168-K172 VanDerWaalsContact O-N 3.1Å
173I92.4Very high92.5Very high4 Ų456.8 Ų56.82%0.02128%0.282CS..  trans-57.4145172.3-166.6168.9000111L167 D168 L177 L178 I181 M226L167-I173 HydrophobicContact CB-CB 4.09Å; L167-I173 HydrophobicContact CB-CD1 4.16Å; L167-I173 HydrophobicContact CB-CG2 4.16Å; L167-I173 HydrophobicContact CD1-CD1 4Å; L167-I173 PolarHBondContact O-N 3Å; D168-I173 HydrophobicContact CB-CG2 3.79Å; I173-L177 HydrophobicContact CD1-CD2 4.11Å; I173-L177 HydrophobicContact CD1-CG 4.1Å; I173-L177 HydrophobicContact CG1-CB 4.24Å; I173-L177 HydrophobicContact CG1-CD2 3.99Å; I173-L177 HydrophobicContact CG1-CG 4.21Å; I173-L178 HydrophobicContact CD1-CB 4.34Å; I173-L178 HydrophobicContact CG2-CB 4Å; I173-L178 HydrophobicContact CG2-CD2 4.24Å; I173-I181 HydrophobicContact CD1-CD1 4.01Å; I173-M226 HydrophobicContact CB-CE 3.82Å; I173-M226 HydrophobicContact CB-SD 4.23Å; I173-M226 HydrophobicContact CD1-CG 4.36Å; I173-M226 HydrophobicContact CD1-SD 3.88Å; I173-M226 HydrophobicContact CG1-CE 4.12Å; I173-M226 HydrophobicContact CG1-CG 3.95Å; I173-M226 HydrophobicContact CG1-SD 3.87Å
174S91.5Very high92.3Very high55 Ų5554.6 Ų54.639%0.38527%0.269SS..  trans-60.4131.7172.2173.40000110.1R176 L177 L178S174-R176 PolarHBondContact O-N 3.23Å; S174-R176 VanDerWaalsContact O-N 3.16Å; S174-R176 PolarHBondContact OG-N 2.78Å; S174-L177 PolarHBondContact O-N 3.21Å; S174-L178 PolarHBondContact O-N 2.86Å
175P92.9Very high92.1Very high102 Ų10255.5 Ų55.566%0.66228%0.278SS*.Hα-helixtrans-55-35.9176.7-27.734.7000112.6L178 Q179P175-L178 PolarHBondContact O-N 2.8Å; P175-Q179 WeakPolarHBondContact O-CB 3.47Å; P175-Q179 PolarHBondContact O-N 3.2Å
176R94.1Very high92Very high110 Ų11054.2 Ų54.242%0.41527%0.271SS..Hα-helixtrans-64.5-43.6176.5-178.561.2-175.8-165.98.3111.9S174 Q179 N180 E260 T262S174-R176 PolarHBondContact O-N 3.23Å; S174-R176 VanDerWaalsContact O-N 3.16Å; S174-R176 PolarHBondContact OG-N 2.78Å; R176-Q179 PolarHBondContact O-N 2.9Å; R176-N180 PolarHBondContact NE-OD1 2.89Å; R176-N180 PolarHBondContact O-N 2.94Å; R176-N180 PolarHBondContact O-ND2 2.94Å; R176-N180 PolarHBondContact O-OD1 3.14Å; R176-E260 PolarHBondContact NE-O 3.49Å; R176-E260 PolarHBondContact NH2-O 2.95Å; R176-T262 HydrophobicContact CG-CG2 4.11Å
177L94.2Very high91.9Very high5 Ų559 Ų593%0.02629%0.294CS..Hα-helixtrans-66.7-42.8178.9179.659.3000111.1I173 S174 N180 I181 L225 M226 I258I173-L177 HydrophobicContact CD1-CD2 4.11Å; I173-L177 HydrophobicContact CD1-CG 4.1Å; I173-L177 HydrophobicContact CG1-CB 4.24Å; I173-L177 HydrophobicContact CG1-CD2 3.99Å; I173-L177 HydrophobicContact CG1-CG 4.21Å; S174-L177 PolarHBondContact O-N 3.21Å; L177-N180 PolarHBondContact O-N 2.82Å; L177-I181 HydrophobicContact CD1-CD1 4.45Å; L177-I181 HydrophobicContact CG-CD1 4.2Å; L177-I181 VanDerWaalsContact O-CG1 3.27Å; L177-I181 WeakPolarHBondContact O-CG1 3.47Å; L177-I181 PolarHBondContact O-N 3.4Å; L177-L225 HydrophobicContact CD1-CB 4.43Å; L177-L225 HydrophobicContact CD1-CD1 3.83Å; L177-L225 HydrophobicContact CD2-CB 3.88Å; L177-M226 HydrophobicContact CD2-CG 3.7Å; L177-I258 WeakPolarHBondContact CD1-O 3.09Å
178L94.5Very high92Very high26 Ų2663.4 Ų63.414%0.13632%0.321CS..Hα-helixtrans-60.6-45.8175.5-178.360.2000111.3F164 D168 I173 S174 P175 N180 I181 L182F164-L178 HydrophobicContact CB-CD1 3.9Å; D168-L178 HydrophobicContact CB-CD2 4.49Å; I173-L178 HydrophobicContact CD1-CB 4.34Å; I173-L178 HydrophobicContact CG2-CB 4Å; I173-L178 HydrophobicContact CG2-CD2 4.24Å; S174-L178 PolarHBondContact O-N 2.86Å; P175-L178 PolarHBondContact O-N 2.8Å; L178-N180 PolarHBondContact O-N 2.82Å; L178-I181 WeakPolarHBondContact O-CB 3.48Å; L178-I181 PolarHBondContact O-N 3.34Å; L178-L182 HydrophobicContact CG-CD1 4.44Å; L178-L182 WeakPolarHBondContact O-CG 3.37Å; L178-L182 PolarHBondContact O-N 3.32Å; L178-L182 VanDerWaalsContact O-N 3.11Å
179Q94.7Very high92.2Very high92 Ų9259.8 Ų59.843%0.4330%0.301SS..Hα-helixtrans-59.3-46.5176-170.961.949.600111.5P175 R176 I181 L182 D183P175-Q179 WeakPolarHBondContact O-CB 3.47Å; P175-Q179 PolarHBondContact O-N 3.2Å; R176-Q179 PolarHBondContact O-N 2.9Å; Q179-I181 VanDerWaalsContact C-N 3.27Å; Q179-I181 PolarHBondContact O-N 2.83Å; Q179-L182 PolarHBondContact O-N 3.36Å; Q179-L182 VanDerWaalsContact O-N 3.12Å; Q179-D183 WeakPolarHBondContact CG-OD2 3.32Å; Q179-D183 PolarHBondContact NE2-OD1 2.99Å; Q179-D183 WeakPolarHBondContact O-CB 2.84Å; Q179-D183 VanDerWaalsContact O-CG 3.23Å; Q179-D183 PolarHBondContact O-N 3.39Å
180N94.9Very high92.5Very high7 Ų755.6 Ų55.64%0.03729%0.285CS..Hα-helixtrans-60.3-35.4177.8-66.2-16.3000112.8R176 L177 L178 A184 I258 E260R176-N180 PolarHBondContact NE-OD1 2.89Å; R176-N180 PolarHBondContact O-N 2.94Å; R176-N180 PolarHBondContact O-ND2 2.94Å; R176-N180 PolarHBondContact O-OD1 3.14Å; L177-N180 PolarHBondContact O-N 2.82Å; L178-N180 PolarHBondContact O-N 2.82Å; N180-A184 WeakPolarHBondContact O-CB 3.35Å; N180-A184 PolarHBondContact O-N 2.92Å; N180-I258 VanDerWaalsContact CB-O 3.29Å; N180-I258 WeakPolarHBondContact CB-O 3.41Å; N180-I258 PolarHBondContact ND2-O 3.38Å; N180-E260 PolarHBondContact ND2-N 2.99Å; N180-E260 PolarHBondContact ND2-O 3.1Å; N180-E260 PolarHBondContact OD1-O 3.44Å
181I94.1Very high92.7Very high0 Ų055.3 Ų55.30%029%0.287CS..Hα-helixtrans-64.9-45.5176.1-68.5162.7000110.1F164 I173 L177 L178 Q179 A184 G185 F186 I222F164-I181 HydrophobicContact CD1-CG2 4.13Å; F164-I181 HydrophobicContact CD2-CG2 3.97Å; F164-I181 HydrophobicContact CE1-CG2 4.11Å; F164-I181 HydrophobicContact CE2-CG2 3.94Å; F164-I181 HydrophobicContact CG-CG2 4.07Å; F164-I181 HydrophobicContact CZ-CG2 4.01Å; I173-I181 HydrophobicContact CD1-CD1 4.01Å; L177-I181 HydrophobicContact CD1-CD1 4.45Å; L177-I181 HydrophobicContact CG-CD1 4.2Å; L177-I181 VanDerWaalsContact O-CG1 3.27Å; L177-I181 WeakPolarHBondContact O-CG1 3.47Å; L177-I181 PolarHBondContact O-N 3.4Å; L178-I181 WeakPolarHBondContact O-CB 3.48Å; L178-I181 PolarHBondContact O-N 3.34Å; Q179-I181 VanDerWaalsContact C-N 3.27Å; Q179-I181 PolarHBondContact O-N 2.83Å; I181-A184 PolarHBondContact O-N 3.25Å; I181-G185 PolarHBondContact O-N 2.8Å; I181-F186 HydrophobicContact CG2-CB 3.88Å; I181-F186 HydrophobicContact CG2-CD2 4.42Å; I181-F186 WeakPolarHBondContact O-CB 3.32Å; I181-F186 WeakPolarHBondContact O-CD2 3.21Å; I181-F186 PolarHBondContact O-N 3.15Å; I181-F186 VanDerWaalsContact O-N 3.15Å; I181-I222 HydrophobicContact CD1-CD1 3.81Å; I181-I222 HydrophobicContact CD1-CG1 3.91Å; I181-I222 HydrophobicContact CD1-CG2 4.37Å; I181-I222 HydrophobicContact CG1-CD1 4.34Å; I181-I222 HydrophobicContact CG1-CG1 4.46Å
182L93.8Very high92.9Very high42 Ų4252.8 Ų52.822%0.2228%0.277CS..Hα-helixtrans-67.8-43.7178.6-64175000111.9L178 Q179 A184 G185L178-L182 HydrophobicContact CG-CD1 4.44Å; L178-L182 WeakPolarHBondContact O-CG 3.37Å; L178-L182 PolarHBondContact O-N 3.32Å; L178-L182 VanDerWaalsContact O-N 3.11Å; Q179-L182 PolarHBondContact O-N 3.36Å; Q179-L182 VanDerWaalsContact O-N 3.12Å; L182-A184 VanDerWaalsContact C-N 3.26Å; L182-A184 PolarHBondContact O-N 2.86Å; L182-G185 VanDerWaalsContact O-CA 3.28Å; L182-G185 WeakPolarHBondContact O-CA 3.36Å; L182-G185 PolarHBondContact O-N 2.89Å
183D93.2Very high93.2Very high105 Ų10544.2 Ų44.256%0.56124%0.24SC*.Hα-helixtrans-64.8-31.9176.6-69.6-13.2000111.9Q179 G185Q179-D183 WeakPolarHBondContact CG-OD2 3.32Å; Q179-D183 PolarHBondContact NE2-OD1 2.99Å; Q179-D183 WeakPolarHBondContact O-CB 2.84Å; Q179-D183 VanDerWaalsContact O-CG 3.23Å; Q179-D183 PolarHBondContact O-N 3.39Å; D183-G185 PolarHBondContact O-N 3.18Å
184A90.5Very high93.4Very high2 Ų244.3 Ų44.32%0.01724%0.24CC..THydrogen-bonded Turntrans-69.4-917200000113F49 N180 I181 L182 F186 K257F49-A184 WeakPolarHBondContact CZ-O 3.44Å; N180-A184 WeakPolarHBondContact O-CB 3.35Å; N180-A184 PolarHBondContact O-N 2.92Å; I181-A184 PolarHBondContact O-N 3.25Å; L182-A184 VanDerWaalsContact C-N 3.26Å; L182-A184 PolarHBondContact O-N 2.86Å; A184-F186 HydrophobicContact CB-CD2 3.61Å; A184-F186 HydrophobicContact CB-CE2 3.45Å; A184-F186 VanDerWaalsContact CB-CE2 3.45Å; A184-K257 HydrophobicContact CB-CD 4.17Å; A184-K257 VanDerWaalsContact CB-CE 3.48Å; A184-K257 PolarHBondContact O-NZ 3.42Å
185G90Very high93.6Very high19 Ų1941.7 Ų41.720%0.19622%0.222CC..THydrogen-bonded Turntrans93.713.9174.700000115.1F49 I181 L182 D183 Q187F49-G185 VanDerWaalsContact CE1-CA 3.48Å; I181-G185 PolarHBondContact O-N 2.8Å; L182-G185 VanDerWaalsContact O-CA 3.28Å; L182-G185 WeakPolarHBondContact O-CA 3.36Å; L182-G185 PolarHBondContact O-N 2.89Å; D183-G185 PolarHBondContact O-N 3.18Å; G185-Q187 PolarHBondContact O-N 2.87Å
186F89.8Confident93.9Very high59 Ų5936.8 Ų36.826%0.25919%0.19SC..  trans-89.793.1-179.8-54.7-64.8000110.3F164 I181 A184 L218 E254F164-F186 WeakPolarHBondContact CD2-O 3.49Å; F164-F186 HydrophobicContact CE2-CB 3.83Å; F164-F186 VanDerWaalsContact CE2-O 3.28Å; F164-F186 WeakPolarHBondContact CE2-O 3.45Å; F164-F186 HydrophobicContact CZ-CB 4.21Å; I181-F186 HydrophobicContact CG2-CB 3.88Å; I181-F186 HydrophobicContact CG2-CD2 4.42Å; I181-F186 WeakPolarHBondContact O-CB 3.32Å; I181-F186 WeakPolarHBondContact O-CD2 3.21Å; I181-F186 PolarHBondContact O-N 3.15Å; I181-F186 VanDerWaalsContact O-N 3.15Å; A184-F186 HydrophobicContact CB-CD2 3.61Å; A184-F186 HydrophobicContact CB-CE2 3.45Å; A184-F186 VanDerWaalsContact CB-CE2 3.45Å; F186-L218 HydrophobicContact CD1-CD1 3.79Å; F186-L218 HydrophobicContact CD2-CD1 3.54Å; F186-L218 HydrophobicContact CE1-CD1 3.7Å; F186-L218 HydrophobicContact CE2-CD1 3.42Å; F186-L218 VanDerWaalsContact CE2-CD1 3.42Å; F186-L218 HydrophobicContact CE2-CD2 4.28Å; F186-L218 HydrophobicContact CE2-CG 4.4Å; F186-L218 HydrophobicContact CG-CD1 3.73Å; F186-L218 HydrophobicContact CZ-CD1 3.53Å; F186-L218 HydrophobicContact CZ-CG 4.49Å; F186-E254 WeakPolarHBondContact CZ-OE1 3.36Å
187Q89.4Confident94Very high118 Ų11831.6 Ų31.655%0.55117%0.171SC*.  trans-77.6-40.8-177.4-60.2-60.8-17.700113G185G185-Q187 PolarHBondContact O-N 2.87Å
188V92.5Very high94.2Very high93 Ų9331.3 Ų31.356%0.56417%0.169SC*.SBendtrans-132136.9-175.6-179.20000109.2F164 M194F164-V188 VanDerWaalsContact CE2-C 3.46Å; V188-M194 HydrophobicContact CG1-CE 4.32Å
189P94.9Very high94.3Very high3 Ų330.1 Ų30.12%0.01916%0.163CC..  trans-62.8139.7176.225.3-34.1000111.1I161 A162 F164 Q193 M194I161-P189 HydrophobicContact CG1-CG 4.4Å; A162-P189 WeakPolarHBondContact O-CD 3.25Å; A162-P189 WeakPolarHBondContact O-CG 3.32Å; F164-P189 HydrophobicContact CD1-CB 4.44Å; F164-P189 HydrophobicContact CE1-CB 3.92Å; F164-P189 HydrophobicContact CE2-CB 4.35Å; F164-P189 HydrophobicContact CZ-CB 3.88Å; P189-Q193 HydrophobicContact CB-CB 3.93Å; P189-M194 HydrophobicContact CB-CG 3.98Å; P189-M194 HydrophobicContact CG-CE 4.36Å; P189-M194 HydrophobicContact CG-CG 3.9Å; P189-M194 WeakPolarHBondContact O-CE 3.28Å
190T93.3Very high94.4Very high41 Ų4125.7 Ų25.725%0.25214%0.142SC..  trans-70.7158.817267.90000110.8I192 Q193 M194 S214T190-I192 PolarHBondContact O-N 3.24Å; T190-I192 WeakPolarHBondContact OG1-CG2 3.4Å; T190-Q193 CarbonylContact O-C 3.3Å; T190-Q193 WeakPolarHBondContact O-CA 3.45Å; T190-Q193 WeakPolarHBondContact O-CB 3.28Å; T190-Q193 PolarHBondContact O-N 3.04Å; T190-Q193 VanDerWaalsContact OG1-CG 3.27Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.47Å; T190-Q193 PolarHBondContact OG1-NE2 3.1Å; T190-Q193 PolarHBondContact OG1-OE1 2.8Å; T190-M194 WeakPolarHBondContact O-CG 3.39Å; T190-M194 PolarHBondContact O-N 3.22Å; T190-S214 WeakPolarHBondContact CB-O 3.44Å; T190-S214 WeakPolarHBondContact CG2-O 3.36Å; T190-S214 PolarHBondContact OG1-O 3.46Å
191P94Very high94.5Very high40 Ų4026.7 Ų26.726%0.2615%0.148SC..Hα-helixtrans-52.1-34.2-178.8-31.136.7000115.1H148 I150 I377H148-P191 HydrophobicContact CB-CB 4.29Å; H148-P191 HydrophobicContact CB-CG 4.34Å; I150-P191 HydrophobicContact CD1-CB 4.32Å; I150-P191 WeakPolarHBondContact CD1-O 3.46Å; I150-P191 HydrophobicContact CG1-CB 4.05Å; P191-I377 HydrophobicContact CB-CD1 4.04Å; P191-I377 HydrophobicContact CB-CG2 3.95Å
192I94.9Very high94.5Very high1 Ų131.9 Ų31.91%0.00517%0.172CC..Hα-helixtrans-70.7-39.5174.3-169.958.5000112T190 A196 A208 A210 S214 A219 V375 I377T190-I192 PolarHBondContact O-N 3.24Å; T190-I192 WeakPolarHBondContact OG1-CG2 3.4Å; I192-A196 HydrophobicContact CD1-CB 4.37Å; I192-A196 HydrophobicContact CG1-CB 4.44Å; I192-A196 WeakPolarHBondContact O-CB 3.37Å; I192-A196 PolarHBondContact O-N 3.24Å; I192-A208 HydrophobicContact CD1-CB 3.94Å; I192-A210 HydrophobicContact CB-CB 3.97Å; I192-A210 HydrophobicContact CD1-CB 4.14Å; I192-A210 HydrophobicContact CG1-CB 3.96Å; I192-A210 HydrophobicContact CG2-CB 4.46Å; I192-S214 WeakPolarHBondContact CG2-O 3.09Å; I192-A219 HydrophobicContact CG1-CB 4.47Å; I192-A219 HydrophobicContact CG2-CB 4.41Å; I192-V375 HydrophobicContact CD1-CB 4.45Å; I192-V375 HydrophobicContact CD1-CG1 3.82Å; I192-I377 HydrophobicContact CB-CD1 4.36Å; I192-I377 HydrophobicContact CB-CG1 3.81Å; I192-I377 HydrophobicContact CD1-CD1 4.27Å; I192-I377 HydrophobicContact CD1-CG1 3.89Å; I192-I377 HydrophobicContact CG1-CG1 4.4Å
193Q96.8Very high94.5Very high4 Ų430.9 Ų30.92%0.01917%0.171CC..Hα-helixtrans-66.2-41.9177.4-67.3162.74.700111.1P189 T190 Q195 I197 G215 A219P189-Q193 HydrophobicContact CB-CB 3.93Å; T190-Q193 CarbonylContact O-C 3.3Å; T190-Q193 WeakPolarHBondContact O-CA 3.45Å; T190-Q193 WeakPolarHBondContact O-CB 3.28Å; T190-Q193 PolarHBondContact O-N 3.04Å; T190-Q193 VanDerWaalsContact OG1-CG 3.27Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.47Å; T190-Q193 PolarHBondContact OG1-NE2 3.1Å; T190-Q193 PolarHBondContact OG1-OE1 2.8Å; Q193-Q195 PolarHBondContact O-N 3.04Å; Q193-I197 HydrophobicContact CB-CD1 3.83Å; Q193-I197 HydrophobicContact CB-CG1 4.43Å; Q193-I197 HydrophobicContact CG-CD1 4.43Å; Q193-I197 WeakPolarHBondContact O-CB 3.46Å; Q193-I197 VanDerWaalsContact O-CG1 3.24Å; Q193-I197 WeakPolarHBondContact O-CG1 3.42Å; Q193-I197 PolarHBondContact O-N 3.07Å; Q193-I197 VanDerWaalsContact O-N 3.15Å; Q193-G215 PolarHBondContact NE2-O 3.21Å; Q193-A219 HydrophobicContact CB-CB 4.46Å; Q193-A219 HydrophobicContact CG-CB 3.8Å
194M97.1Very high94.6Very high6 Ų627.5 Ų27.53%0.0315%0.15CC..Hα-helixtrans-49.3-44.1178.4-68.6-178.9169.500112.1F144 H148 I150 P160 I161 V188 P189 T190 P198F144-M194 HydrophobicContact CE1-SD 3.87Å; F144-M194 HydrophobicContact CZ-CE 4.18Å; F144-M194 HydrophobicContact CZ-SD 3.77Å; H148-M194 HydrophobicContact CB-SD 4.42Å; I150-M194 HydrophobicContact CD1-CB 4.2Å; I150-M194 HydrophobicContact CD1-SD 4.39Å; P160-M194 CarbonylContact C-O 3.28Å; P160-M194 WeakPolarHBondContact CA-O 3.35Å; P160-M194 HydrophobicContact CB-CB 4.39Å; I161-M194 PolarHBondContact N-O 3.04Å; I161-M194 WeakPolarHBondContact O-CA 3.47Å; I161-M194 WeakPolarHBondContact O-CB 3.45Å; I161-M194 WeakPolarHBondContact O-CG 3.45Å; V188-M194 HydrophobicContact CG1-CE 4.32Å; P189-M194 HydrophobicContact CB-CG 3.98Å; P189-M194 HydrophobicContact CG-CE 4.36Å; P189-M194 HydrophobicContact CG-CG 3.9Å; P189-M194 WeakPolarHBondContact O-CE 3.28Å; T190-M194 WeakPolarHBondContact O-CG 3.39Å; T190-M194 PolarHBondContact O-N 3.22Å; M194-P198 VanDerWaalsContact O-CD 3.24Å; M194-P198 WeakPolarHBondContact O-CD 3.11Å; M194-P198 WeakPolarHBondContact O-CG 3.33Å
195Q97.1Very high94.8Very high0 Ų027.9 Ų27.90%015%0.152CC..Hα-helixtrans-101-35.4-175.9-1736473.300113.9I150 V152 P158 P160 Q193 V199 V375I150-Q195 HydrophobicContact CD1-CB 4.47Å; I150-Q195 HydrophobicContact CG2-CB 3.9Å; I150-Q195 HydrophobicContact CG2-CG 4.05Å; V152-Q195 HydrophobicContact CG2-CG 3.59Å; P158-Q195 PolarHBondContact O-NE2 3.49Å; P160-Q195 HydrophobicContact CB-CB 4.5Å; Q193-Q195 PolarHBondContact O-N 3.04Å; Q195-V199 WeakPolarHBondContact O-CG2 3.3Å; Q195-V199 PolarHBondContact O-N 3.31Å; Q195-V375 HydrophobicContact CB-CG1 4.06Å; Q195-V375 HydrophobicContact CG-CG1 3.95Å; Q195-V375 HydrophobicContact CG-CG2 3.83Å
196A97.6Very high95.1Very high0 Ų027 Ų270%014%0.142CC..Hα-helixtrans-71.2-36.4-177.100000112.8I192 V199 M200 L206 A219I192-A196 HydrophobicContact CD1-CB 4.37Å; I192-A196 HydrophobicContact CG1-CB 4.44Å; I192-A196 WeakPolarHBondContact O-CB 3.37Å; I192-A196 PolarHBondContact O-N 3.24Å; A196-V199 PolarHBondContact O-N 3.36Å; A196-M200 WeakPolarHBondContact O-CG 3.3Å; A196-M200 PolarHBondContact O-N 3.26Å; A196-L206 HydrophobicContact CB-CD2 3.73Å; A196-A219 HydrophobicContact CB-CB 4.12Å
197I97.6Very high95.4Very high0 Ų024.4 Ų24.40%013%0.132CC..Hα-helixtrans-62.1-52.7-178.6-62.7170.7000110.3I161 L167 Q193 V199 M200 L201 I222 P223I161-I197 HydrophobicContact CD1-CB 4.48Å; I161-I197 HydrophobicContact CD1-CD1 4.3Å; L167-I197 HydrophobicContact CD1-CG2 4.41Å; L167-I197 HydrophobicContact CD2-CG2 3.73Å; Q193-I197 HydrophobicContact CB-CD1 3.83Å; Q193-I197 HydrophobicContact CB-CG1 4.43Å; Q193-I197 HydrophobicContact CG-CD1 4.43Å; Q193-I197 WeakPolarHBondContact O-CB 3.46Å; Q193-I197 VanDerWaalsContact O-CG1 3.24Å; Q193-I197 WeakPolarHBondContact O-CG1 3.42Å; Q193-I197 PolarHBondContact O-N 3.07Å; Q193-I197 VanDerWaalsContact O-N 3.15Å; I197-V199 VanDerWaalsContact C-N 3.34Å; I197-V199 PolarHBondContact O-N 3.34Å; I197-M200 PolarHBondContact O-N 3.06Å; I197-L201 HydrophobicContact CG2-CD1 3.77Å; I197-L201 HydrophobicContact CG2-CG 4.22Å; I197-L201 VanDerWaalsContact O-CG 3.32Å; I197-L201 WeakPolarHBondContact O-CG 3.45Å; I197-L201 PolarHBondContact O-N 3.34Å; I197-I222 HydrophobicContact CD1-CB 4.22Å; I197-I222 HydrophobicContact CD1-CD1 3.83Å; I197-I222 HydrophobicContact CD1-CG2 4.28Å; I197-I222 HydrophobicContact CG2-CG2 4.27Å; I197-P223 HydrophobicContact CG2-CB 4.44Å
198P97Very high95.7Very high0 Ų018.8 Ų18.80%011%0.105CC..Hα-helixtrans-58.1-42.4175.4-2837.8000113.3P158 D159 I161 M194 M200 L201 H202P158-P198 HydrophobicContact CB-CB 3.93Å; P158-P198 HydrophobicContact CG-CB 4.07Å; D159-P198 WeakPolarHBondContact O-CB 3.4Å; D159-P198 WeakPolarHBondContact O-CG 3.29Å; I161-P198 HydrophobicContact CG1-CG 4.42Å; I161-P198 HydrophobicContact CG2-CG 3.9Å; M194-P198 VanDerWaalsContact O-CD 3.24Å; M194-P198 WeakPolarHBondContact O-CD 3.11Å; M194-P198 WeakPolarHBondContact O-CG 3.33Å; P198-M200 VanDerWaalsContact C-N 3.32Å; P198-M200 PolarHBondContact O-N 3.35Å; P198-L201 PolarHBondContact O-N 3.4Å; P198-H202 PolarHBondContact O-CD2 3.04Å; P198-H202 PolarHBondContact O-N 3.08Å
199V97.1Very high95.7Very high0 Ų014.8 Ų14.80%08%0.081CC..Hα-helixtrans-57.7-45.5178.3174.20000111.6P158 Q195 A196 I197 R204 L206 V373P158-V199 HydrophobicContact CG-CB 4.24Å; P158-V199 HydrophobicContact CG-CG2 3.68Å; Q195-V199 WeakPolarHBondContact O-CG2 3.3Å; Q195-V199 PolarHBondContact O-N 3.31Å; A196-V199 PolarHBondContact O-N 3.36Å; I197-V199 VanDerWaalsContact C-N 3.34Å; I197-V199 PolarHBondContact O-N 3.34Å; V199-R204 HydrophobicContact CG1-CB 3.95Å; V199-R204 PolarHBondContact O-N 3.03Å; V199-L206 HydrophobicContact CG1-CB 4.24Å; V199-L206 HydrophobicContact CG1-CD1 4.08Å; V199-V373 HydrophobicContact CG1-CB 3.84Å; V199-V373 HydrophobicContact CG1-CG1 4.02Å; V199-V373 HydrophobicContact CG1-CG2 4.13Å; V199-V373 HydrophobicContact CG2-CG1 4.02Å
200M97.1Very high95.4Very high0 Ų014.7 Ų14.70%08%0.081CC..Hα-helixtrans-69.8-39.6177.8-69.6-178.467.500112.1A196 I197 P198 H202 G203 L206 F220 P223 I224 Q227 W315 V317 A351 F353A196-M200 WeakPolarHBondContact O-CG 3.3Å; A196-M200 PolarHBondContact O-N 3.26Å; I197-M200 PolarHBondContact O-N 3.06Å; P198-M200 VanDerWaalsContact C-N 3.32Å; P198-M200 PolarHBondContact O-N 3.35Å; M200-H202 VanDerWaalsContact C-N 3.26Å; M200-H202 PolarHBondContact O-N 3.28Å; M200-G203 WeakPolarHBondContact O-CA 3.41Å; M200-G203 PolarHBondContact O-N 3.45Å; M200-L206 HydrophobicContact CG-CD2 3.85Å; M200-L206 HydrophobicContact SD-CD2 4.08Å; M200-F220 HydrophobicContact CE-CB 3.91Å; M200-F220 HydrophobicContact SD-CB 3.92Å; M200-P223 HydrophobicContact CB-CB 3.63Å; M200-P223 HydrophobicContact CB-CG 3.7Å; M200-P223 HydrophobicContact CE-CG 3.87Å; M200-P223 HydrophobicContact CG-CG 4.26Å; M200-P223 HydrophobicContact SD-CG 3.67Å; M200-I224 HydrophobicContact CE-CG1 4.25Å; M200-Q227 PolarHBondContact O-NE2 3.3Å; M200-W315 HydrophobicContact CB-CH2 3.8Å; M200-W315 HydrophobicContact CB-CZ2 4.09Å; M200-W315 HydrophobicContact CE-CD2 4.15Å; M200-W315 HydrophobicContact CE-CE3 3.7Å; M200-W315 HydrophobicContact CE-CH2 3.92Å; M200-W315 HydrophobicContact CE-CZ2 4.34Å; M200-W315 HydrophobicContact CE-CZ3 3.58Å; M200-W315 HydrophobicContact CG-CH2 3.87Å; M200-W315 HydrophobicContact CG-CZ3 4.19Å; M200-W315 VanDerWaalsContact O-CZ2 3.25Å; M200-W315 WeakPolarHBondContact O-CZ2 3.49Å; M200-V317 HydrophobicContact CE-CG2 4.46Å; M200-A351 HydrophobicContact CE-CB 4.22Å; M200-A351 HydrophobicContact SD-CB 4.35Å; M200-F353 HydrophobicContact SD-CE2 4.24Å; M200-F353 HydrophobicContact SD-CZ 4.03Å
201L96Very high94.7Very high28 Ų2814.6 Ų14.615%0.1478%0.081CC..Hα-helixtrans-61.7-33.7177.7-71176000112.8L167 Y171 I197 P198 G203 P223 M226 Q227L167-L201 HydrophobicContact CD2-CD1 3.94Å; Y171-L201 HydrophobicContact CD1-CB 3.92Å; Y171-L201 HydrophobicContact CD1-CD1 3.71Å; Y171-L201 HydrophobicContact CD1-CG 4.4Å; Y171-L201 HydrophobicContact CD2-CD1 3.83Å; Y171-L201 HydrophobicContact CE1-CB 4Å; Y171-L201 HydrophobicContact CE1-CD1 4.19Å; Y171-L201 HydrophobicContact CE2-CD1 4.33Å; Y171-L201 HydrophobicContact CG-CD1 3.52Å; I197-L201 HydrophobicContact CG2-CD1 3.77Å; I197-L201 HydrophobicContact CG2-CG 4.22Å; I197-L201 VanDerWaalsContact O-CG 3.32Å; I197-L201 WeakPolarHBondContact O-CG 3.45Å; I197-L201 PolarHBondContact O-N 3.34Å; P198-L201 PolarHBondContact O-N 3.4Å; L201-G203 PolarHBondContact O-N 2.86Å; L201-P223 HydrophobicContact CD2-CB 3.84Å; L201-P223 HydrophobicContact CG-CB 3.99Å; L201-M226 HydrophobicContact CD1-CE 3.76Å; L201-M226 HydrophobicContact CD1-SD 4.12Å; L201-M226 HydrophobicContact CD2-CB 3.88Å; L201-M226 HydrophobicContact CD2-CE 3.99Å; L201-M226 HydrophobicContact CD2-SD 4.09Å; L201-Q227 HydrophobicContact CD2-CG 4.06Å; L201-Q227 PolarHBondContact O-NE2 3.36Å
202H94.5Very high93.9Very high109 Ų10913.5 Ų13.551%0.5057%0.074SC..THydrogen-bonded Turntrans-742.9171.6-80.2-107000113.9Y171 P198 M200 R204Y171-H202 AromaticContact CE1-CD2 3.81Å; Y171-H202 AromaticContact CE1-NE2 3.69Å; Y171-H202 AromaticContact CZ-NE2 3.94Å; Y171-H202 PolarHBondContact OH-NE2 3.44Å; P198-H202 PolarHBondContact O-CD2 3.04Å; P198-H202 PolarHBondContact O-N 3.08Å; M200-H202 VanDerWaalsContact C-N 3.26Å; M200-H202 PolarHBondContact O-N 3.28Å; H202-R204 VanDerWaalsContact C-N 3.31Å; H202-R204 HydrophobicContact CB-CG 4.29Å; H202-R204 PolarHBondContact O-N 3Å
203G94.3Very high93Very high20 Ų2016.7 Ų16.721%0.20611%0.106CC..THydrogen-bonded Turntrans6928.117600000113.5M200 L201 R349M200-G203 WeakPolarHBondContact O-CA 3.41Å; M200-G203 PolarHBondContact O-N 3.45Å; L201-G203 PolarHBondContact O-N 2.86Å; G203-R349 WeakPolarHBondContact O-CD 3.49Å; G203-R349 PolarHBondContact O-NE 3.4Å
204R95Very high92.3Very high34 Ų3417.5 Ų17.513%0.12811%0.112CC..  trans-93.6148.3178.4-62.2-67.7-62.7-75.4-2111.2T155 D156 V199 H202 N371 V373T155-R204 PolarHBondContact O-NH1 3.5Å; T155-R204 PolarHBondContact O-NH2 3.23Å; D156-R204 PolarHBondContact O-NH1 3.16Å; D156-R204 VanDerWaalsContact O-NH1 3.09Å; V199-R204 HydrophobicContact CG1-CB 3.95Å; V199-R204 PolarHBondContact O-N 3.03Å; H202-R204 VanDerWaalsContact C-N 3.31Å; H202-R204 HydrophobicContact CB-CG 4.29Å; H202-R204 PolarHBondContact O-N 3Å; R204-N371 PolarHBondContact NH2-ND2 2.91Å; R204-N371 VanDerWaalsContact NH2-ND2 3.14Å; R204-N371 PolarHBondContact NH2-O 3.27Å; R204-N371 PolarHBondContact NH2-OD1 3.04Å; R204-N371 VanDerWaalsContact NH2-OD1 3.16Å; R204-V373 HydrophobicContact CB-CG2 4.24Å
205E95.5Very high91.9Very high10 Ų1018.2 Ų18.25%0.04712%0.122CC..  trans-74140.7172.6-52.3-155125.900110R350 L369 D370 I372 V373E205-R350 VanDerWaalsContact CA-O 3.29Å; E205-R350 WeakPolarHBondContact CA-O 3.47Å; E205-R350 WeakPolarHBondContact CB-O 3.04Å; E205-R350 VanDerWaalsContact CD-NH2 3.32Å; E205-R350 IonicContact OE1-CZ 3.37Å; E205-R350 PolarHBondContact OE1-N 3.22Å; E205-R350 IonicContact OE1-NE 3.73Å; E205-R350 PolarHBondContact OE1-NE 3.4Å; E205-R350 IonicContact OE1-NH2 2.69Å; E205-R350 PolarHBondContact OE1-NH2 3.07Å; E205-R350 IonicContact OE2-CZ 3.64Å; E205-R350 IonicContact OE2-NE 3.1Å; E205-R350 IonicContact OE2-NH2 3.31Å; E205-R350 PolarHBondContact OE2-NH2 3.24Å; E205-R350 VanDerWaalsContact OE2-NH2 3.11Å; E205-L369 VanDerWaalsContact OE2-CA 3.23Å; E205-L369 WeakPolarHBondContact OE2-CA 3.48Å; E205-L369 WeakPolarHBondContact OE2-CB 3.43Å; E205-D370 PolarHBondContact OE2-N 3.08Å; E205-I372 HydrophobicContact CB-CG1 4.39Å; E205-V373 PolarHBondContact O-N 3.4Å
206L96.4Very high91.7Very high0 Ų019 Ų190%013%0.125CC..EExtended strand (participates in β ladder)trans-130.1132.2-167.5173.463.7000111.7A196 V199 M200 A208 R350 A351 M352 F353 V373 V375A196-L206 HydrophobicContact CB-CD2 3.73Å; V199-L206 HydrophobicContact CG1-CB 4.24Å; V199-L206 HydrophobicContact CG1-CD1 4.08Å; M200-L206 HydrophobicContact CG-CD2 3.85Å; M200-L206 HydrophobicContact SD-CD2 4.08Å; L206-A208 HydrophobicContact CD1-CB 4.22Å; L206-A208 HydrophobicContact CD2-CB 4.04Å; L206-A208 HydrophobicContact CG-CB 3.99Å; L206-R350 PolarHBondContact N-O 3.29Å; L206-R350 VanDerWaalsContact N-O 3.14Å; L206-A351 HydrophobicContact CB-CB 4.14Å; L206-A351 CarbonylContact O-C 3.59Å; L206-A351 WeakPolarHBondContact O-CA 3.46Å; L206-M352 PolarHBondContact O-N 2.91Å; L206-F353 HydrophobicContact CD2-CE2 4.33Å; L206-F353 HydrophobicContact CD2-CZ 3.83Å; L206-V373 CarbonylContact C-O 3.48Å; L206-V373 WeakPolarHBondContact CA-O 3.27Å; L206-V375 HydrophobicContact CD1-CB 4.08Å; L206-V375 HydrophobicContact CD1-CG2 3.58Å
207L96Very high91.5Very high6 Ų620.1 Ų20.13%0.03113%0.132CC..EExtended strand (participates in β ladder)trans-109.6106.8159.1174.461000108.9M352 V361 E362 C365 I372 V373 S374 V375L207-M352 CarbonylContact C-O 3.6Å; L207-M352 WeakPolarHBondContact CA-O 3.32Å; L207-M352 HydrophobicContact CD1-CB 3.9Å; L207-V361 HydrophobicContact CD1-CG1 4.03Å; L207-E362 HydrophobicContact CD2-CB 4.1Å; L207-E362 HydrophobicContact CD2-CG 4.12Å; L207-C365 HydrophobicContact CD2-CB 4.48Å; L207-I372 HydrophobicContact CB-CD1 3.63Å; L207-I372 HydrophobicContact CB-CG1 4.32Å; L207-V373 PolarHBondContact N-O 3.23Å; L207-S374 CarbonylContact O-C 3.54Å; L207-S374 WeakPolarHBondContact O-CA 3.22Å; L207-V375 PolarHBondContact O-N 2.89Å
208A95.1Very high91.4Very high0 Ų020.4 Ų20.40%013%0.133CC..EExtended strand (participates in β ladder)trans-106.9113.3-177.500000111.1I192 L206 M352 F353 S354 V375I192-A208 HydrophobicContact CD1-CB 3.94Å; L206-A208 HydrophobicContact CD1-CB 4.22Å; L206-A208 HydrophobicContact CD2-CB 4.04Å; L206-A208 HydrophobicContact CG-CB 3.99Å; A208-M352 PolarHBondContact N-O 3.02Å; A208-F353 HydrophobicContact CB-CD1 3.44Å; A208-F353 VanDerWaalsContact CB-CD1 3.44Å; A208-F353 HydrophobicContact CB-CE1 3.43Å; A208-F353 VanDerWaalsContact CB-CE1 3.43Å; A208-F353 HydrophobicContact CB-CG 4.06Å; A208-F353 HydrophobicContact CB-CZ 4.03Å; A208-F353 CarbonylContact O-C 3.6Å; A208-F353 WeakPolarHBondContact O-CA 3.48Å; A208-S354 PolarHBondContact O-N 3.46Å; A208-V375 CarbonylContact C-O 3.56Å; A208-V375 WeakPolarHBondContact CA-O 3.45Å
209S92.4Very high91.4Very high9 Ų920.4 Ų20.46%0.06313%0.133CC..EExtended strand (participates in β ladder)trans-110.3113.2176.9-610000110.7S354 V375 S376 I377S209-S354 WeakPolarHBondContact CA-O 3.49Å; S209-V375 PolarHBondContact N-O 3.39Å; S209-S376 VanDerWaalsContact O-CA 3.3Å; S209-S376 WeakPolarHBondContact O-CA 3.29Å; S209-I377 PolarHBondContact O-N 2.77Å
210A87.9Confident91.4Very high1 Ų120.4 Ų20.41%0.00813%0.133CC..  trans-152.2147.3177.500000110.2I192 S214 K216 S354 A355 I377I192-A210 HydrophobicContact CB-CB 3.97Å; I192-A210 HydrophobicContact CD1-CB 4.14Å; I192-A210 HydrophobicContact CG1-CB 3.96Å; I192-A210 HydrophobicContact CG2-CB 4.46Å; A210-S214 VanDerWaalsContact CB-OG 3.26Å; A210-S214 WeakPolarHBondContact CB-OG 3.24Å; A210-K216 HydrophobicContact CB-CD 4.37Å; A210-K216 HydrophobicContact CB-CG 4.27Å; A210-K216 PolarHBondContact O-NZ 2.91Å; A210-S354 PolarHBondContact N-O 3.14Å; A210-S354 VanDerWaalsContact O-O 3.13Å; A210-A355 VanDerWaalsContact O-CA 3.28Å; A210-A355 WeakPolarHBondContact O-CA 3.48Å; A210-I377 HydrophobicContact CB-CB 4.02Å; A210-I377 HydrophobicContact CB-CG1 3.83Å
211P80.1Confident91.4Very high39 Ų3920.4 Ų20.425%0.25313%0.133SC..  trans-58.9164.6-175.923-33.3000113.1S214 K216 V384P211-S214 VanDerWaalsContact O-CB 3.29Å; P211-S214 WeakPolarHBondContact O-CB 3.43Å; P211-S214 PolarHBondContact O-N 3.3Å; P211-S214 PolarHBondContact O-OG 3.46Å; P211-K216 PolarHBondContact O-NZ 2.74Å; P211-V384 HydrophobicContact CB-CG2 4.45Å
212T76.3Confident91.5Very high17 Ų1719 Ų1910%0.10413%0.126CC..THydrogen-bonded Turntrans-61.4139.7173.950.80000110.9S214 A355T212-S214 VanDerWaalsContact C-N 3.31Å; T212-A355 HydrophobicContact CG2-CB 4.13Å
213G76.4Confident91.6Very high67 Ų6713.9 Ų13.969%0.69110%0.102SC*.THydrogen-bonded Turntrans82.60.8-177.100000114.9G215G213-G215 PolarHBondContact O-N 3.48Å
214S82.1Confident91.7Very high21 Ų2113 Ų1315%0.1479%0.093CC..SBendtrans-740.7176.662.80000114.8T190 I192 A210 P211 T212 K216T190-S214 WeakPolarHBondContact CB-O 3.44Å; T190-S214 WeakPolarHBondContact CG2-O 3.36Å; T190-S214 PolarHBondContact OG1-O 3.46Å; I192-S214 WeakPolarHBondContact CG2-O 3.09Å; A210-S214 VanDerWaalsContact CB-OG 3.26Å; A210-S214 WeakPolarHBondContact CB-OG 3.24Å; P211-S214 VanDerWaalsContact O-CB 3.29Å; P211-S214 WeakPolarHBondContact O-CB 3.43Å; P211-S214 PolarHBondContact O-N 3.3Å; P211-S214 PolarHBondContact O-OG 3.46Å; T212-S214 VanDerWaalsContact C-N 3.31Å; S214-K216 WeakPolarHBondContact OG-CG 3.42Å
215G88.4Confident91.8Very high22 Ų2211.5 Ų11.523%0.2279%0.088CC..  trans84.721.6-179.900000115.3Q193 G213 T217 L218 A219Q193-G215 PolarHBondContact NE2-O 3.21Å; G213-G215 PolarHBondContact O-N 3.48Å; G215-T217 PolarHBondContact O-N 3.06Å; G215-L218 PolarHBondContact O-N 3.03Å; G215-A219 PolarHBondContact O-N 2.95Å
216K92.6Very high91.8Very high17 Ų1712.1 Ų12.17%0.0749%0.091CC..Hα-helixtrans-50.5-39.8177-65.8-168.5-69.5-85.20113.8A210 P211 S214 L218 A219 F220 F353A210-K216 HydrophobicContact CB-CD 4.37Å; A210-K216 HydrophobicContact CB-CG 4.27Å; A210-K216 PolarHBondContact O-NZ 2.91Å; P211-K216 PolarHBondContact O-NZ 2.74Å; S214-K216 WeakPolarHBondContact OG-CG 3.42Å; K216-L218 PolarHBondContact O-N 2.95Å; K216-A219 VanDerWaalsContact O-CB 3.26Å; K216-A219 WeakPolarHBondContact O-CB 3.38Å; K216-A219 PolarHBondContact O-N 3.16Å; K216-F220 WeakPolarHBondContact O-CD1 3.44Å; K216-F220 WeakPolarHBondContact O-CE1 3.48Å; K216-F220 PolarHBondContact O-N 2.81Å; K216-F353 HydrophobicContact CB-CD1 3.94Å; K216-F353 HydrophobicContact CD-CB 4.32Å; K216-F353 HydrophobicContact CD-CD1 4.16Å; K216-F353 HydrophobicContact CG-CD1 4.17Å
217T94.4Very high91.7Very high23 Ų2314.5 Ų14.514%0.14110%0.102CC..Hα-helixtrans-57.2-48.2-178.3-52.40000112.1G215 A219 F220 S221 I251 E254G215-T217 PolarHBondContact O-N 3.06Å; T217-A219 VanDerWaalsContact C-N 3.32Å; T217-A219 PolarHBondContact O-N 2.83Å; T217-F220 HydrophobicContact CG2-CE2 4.35Å; T217-F220 HydrophobicContact CG2-CZ 3.99Å; T217-F220 WeakPolarHBondContact O-CD2 3.48Å; T217-F220 WeakPolarHBondContact O-CE2 3.4Å; T217-S221 WeakPolarHBondContact O-CB 3.48Å; T217-S221 PolarHBondContact O-N 2.8Å; T217-S221 PolarHBondContact O-OG 3.03Å; T217-I251 HydrophobicContact CG2-CB 4.42Å; T217-I251 HydrophobicContact CG2-CG1 4.18Å; T217-I251 HydrophobicContact CG2-CG2 4.3Å; T217-E254 HydrophobicContact CG2-CB 3.92Å; T217-E254 HydrophobicContact CG2-CG 3.96Å
218L95.2Very high91.6Very high5 Ų514.4 Ų14.43%0.02610%0.101CC..Hα-helixtrans-70-31.7176.3-63.3178.5000112.5F186 G215 K216 F220 S221 I222 E254 I258F186-L218 HydrophobicContact CD1-CD1 3.79Å; F186-L218 HydrophobicContact CD2-CD1 3.54Å; F186-L218 HydrophobicContact CE1-CD1 3.7Å; F186-L218 HydrophobicContact CE2-CD1 3.42Å; F186-L218 VanDerWaalsContact CE2-CD1 3.42Å; F186-L218 HydrophobicContact CE2-CD2 4.28Å; F186-L218 HydrophobicContact CE2-CG 4.4Å; F186-L218 HydrophobicContact CG-CD1 3.73Å; F186-L218 HydrophobicContact CZ-CD1 3.53Å; F186-L218 HydrophobicContact CZ-CG 4.49Å; G215-L218 PolarHBondContact O-N 3.03Å; K216-L218 PolarHBondContact O-N 2.95Å; L218-F220 PolarHBondContact O-N 3.23Å; L218-S221 PolarHBondContact O-N 3.2Å; L218-S221 VanDerWaalsContact O-N 3.16Å; L218-I222 HydrophobicContact CB-CD1 4.08Å; L218-I222 HydrophobicContact CB-CG1 4.46Å; L218-I222 WeakPolarHBondContact O-CB 3.38Å; L218-I222 WeakPolarHBondContact O-CG1 3.26Å; L218-I222 PolarHBondContact O-N 2.7Å; L218-E254 HydrophobicContact CD2-CG 3.9Å; L218-I258 HydrophobicContact CD2-CD1 3.88Å; L218-I258 HydrophobicContact CD2-CG2 3.72Å
219A97Very high91.5Very high0 Ų022.6 Ų22.60%014%0.137CC..Hα-helixtrans-58.4-33-179.400000112.7I192 Q193 A196 G215 K216 T217 P223 F353I192-A219 HydrophobicContact CG1-CB 4.47Å; I192-A219 HydrophobicContact CG2-CB 4.41Å; Q193-A219 HydrophobicContact CB-CB 4.46Å; Q193-A219 HydrophobicContact CG-CB 3.8Å; A196-A219 HydrophobicContact CB-CB 4.12Å; G215-A219 PolarHBondContact O-N 2.95Å; K216-A219 VanDerWaalsContact O-CB 3.26Å; K216-A219 WeakPolarHBondContact O-CB 3.38Å; K216-A219 PolarHBondContact O-N 3.16Å; T217-A219 VanDerWaalsContact C-N 3.32Å; T217-A219 PolarHBondContact O-N 2.83Å; A219-P223 VanDerWaalsContact O-CD 3.23Å; A219-P223 WeakPolarHBondContact O-CD 3.31Å; A219-P223 WeakPolarHBondContact O-CG 3.3Å; A219-F353 HydrophobicContact CB-CE1 4.04Å
220F97.4Very high91.5Very high0 Ų028.3 Ų28.30%016%0.163CC..Hα-helixtrans-95.9-29.5169.860.1-107.5000114.3M200 K216 T217 L218 P223 I224 V240 I251 V317 D319 F353M200-F220 HydrophobicContact CE-CB 3.91Å; M200-F220 HydrophobicContact SD-CB 3.92Å; K216-F220 WeakPolarHBondContact O-CD1 3.44Å; K216-F220 WeakPolarHBondContact O-CE1 3.48Å; K216-F220 PolarHBondContact O-N 2.81Å; T217-F220 HydrophobicContact CG2-CE2 4.35Å; T217-F220 HydrophobicContact CG2-CZ 3.99Å; T217-F220 WeakPolarHBondContact O-CD2 3.48Å; T217-F220 WeakPolarHBondContact O-CE2 3.4Å; L218-F220 PolarHBondContact O-N 3.23Å; F220-P223 WeakPolarHBondContact O-CD 3.1Å; F220-P223 WeakPolarHBondContact O-CG 3.15Å; F220-I224 HydrophobicContact CB-CD1 4.49Å; F220-I224 HydrophobicContact CD2-CD1 4.25Å; F220-I224 WeakPolarHBondContact O-CB 3.38Å; F220-I224 VanDerWaalsContact O-CD1 3.27Å; F220-I224 WeakPolarHBondContact O-CD1 3.49Å; F220-I224 WeakPolarHBondContact O-CG1 3.41Å; F220-I224 PolarHBondContact O-N 3.14Å; F220-V240 HydrophobicContact CE2-CG1 4.07Å; F220-V240 HydrophobicContact CE2-CG2 4.28Å; F220-V240 HydrophobicContact CZ-CG1 4.17Å; F220-I251 HydrophobicContact CE2-CG2 3.98Å; F220-I251 HydrophobicContact CZ-CD1 4.28Å; F220-I251 HydrophobicContact CZ-CG1 4.33Å; F220-I251 HydrophobicContact CZ-CG2 4.03Å; F220-V317 HydrophobicContact CB-CG1 4.21Å; F220-V317 HydrophobicContact CB-CG2 4.28Å; F220-V317 HydrophobicContact CD1-CG1 3.95Å; F220-V317 HydrophobicContact CD2-CG1 4.22Å; F220-V317 HydrophobicContact CE1-CG1 4.3Å; F220-V317 HydrophobicContact CG-CG1 3.9Å; F220-D319 HydrophobicContact CE1-CB 4.4Å; F220-F353 HydrophobicContact CB-CD2 4.38Å; F220-F353 HydrophobicContact CB-CE2 3.57Å; F220-F353 HydrophobicContact CB-CZ 3.7Å; F220-F353 HydrophobicContact CD1-CD1 4.24Å; F220-F353 AromaticContact CD1-CD2 3.78Å; F220-F353 HydrophobicContact CD1-CD2 3.78Å; F220-F353 HydrophobicContact CD1-CE1 4.22Å; F220-F353 AromaticContact CD1-CE2 3.77Å; F220-F353 HydrophobicContact CD1-CE2 3.77Å; F220-F353 HydrophobicContact CD1-CG 4.02Å; F220-F353 AromaticContact CD1-CZ 4Å; F220-F353 HydrophobicContact CD1-CZ 4Å; F220-F353 HydrophobicContact CG-CD2 4.48Å; F220-F353 HydrophobicContact CG-CE2 4.12Å; F220-F353 HydrophobicContact CG-CZ 4.36Å
221S97.1Very high91.7Very high0 Ų030.2 Ų30.20%018%0.175CC..Hα-helixtrans-70-40.2-174.4-60.70000112.2T217 L218 L225 L255T217-S221 WeakPolarHBondContact O-CB 3.48Å; T217-S221 PolarHBondContact O-N 2.8Å; T217-S221 PolarHBondContact O-OG 3.03Å; L218-S221 PolarHBondContact O-N 3.2Å; L218-S221 VanDerWaalsContact O-N 3.16Å; S221-L225 VanDerWaalsContact O-CG 3.28Å; S221-L225 WeakPolarHBondContact O-CG 3.43Å; S221-L225 PolarHBondContact O-N 2.81Å; S221-L225 VanDerWaalsContact O-N 3.08Å; S221-L255 VanDerWaalsContact CB-CD2 3.48Å; S221-L255 WeakPolarHBondContact OG-CD2 3.31Å
222I96.8Very high92.3Very high0 Ų029.7 Ų29.70%017%0.171CC..Hα-helixtrans-60.3-56.9178.1-66.2169.7000111.6F164 L167 I181 I197 L218 I224 L225 M226F164-I222 HydrophobicContact CE1-CD1 3.82Å; L167-I222 HydrophobicContact CD1-CG2 4Å; I181-I222 HydrophobicContact CD1-CD1 3.81Å; I181-I222 HydrophobicContact CD1-CG1 3.91Å; I181-I222 HydrophobicContact CD1-CG2 4.37Å; I181-I222 HydrophobicContact CG1-CD1 4.34Å; I181-I222 HydrophobicContact CG1-CG1 4.46Å; I197-I222 HydrophobicContact CD1-CB 4.22Å; I197-I222 HydrophobicContact CD1-CD1 3.83Å; I197-I222 HydrophobicContact CD1-CG2 4.28Å; I197-I222 HydrophobicContact CG2-CG2 4.27Å; L218-I222 HydrophobicContact CB-CD1 4.08Å; L218-I222 HydrophobicContact CB-CG1 4.46Å; L218-I222 WeakPolarHBondContact O-CB 3.38Å; L218-I222 WeakPolarHBondContact O-CG1 3.26Å; L218-I222 PolarHBondContact O-N 2.7Å; I222-I224 VanDerWaalsContact C-N 3.3Å; I222-I224 PolarHBondContact O-N 2.85Å; I222-L225 PolarHBondContact O-N 2.89Å; I222-M226 HydrophobicContact CG2-CG 4.4Å; I222-M226 HydrophobicContact CG2-SD 3.68Å; I222-M226 WeakPolarHBondContact O-CG 3.45Å; I222-M226 PolarHBondContact O-N 2.83Å
223P97Very high93Very high0 Ų033.7 Ų33.70%019%0.192CC..Hα-helixtrans-63.4-34.9-178.422.9-33.6000112.7I197 M200 L201 A219 F220 M226 Q227I197-P223 HydrophobicContact CG2-CB 4.44Å; M200-P223 HydrophobicContact CB-CB 3.63Å; M200-P223 HydrophobicContact CB-CG 3.7Å; M200-P223 HydrophobicContact CE-CG 3.87Å; M200-P223 HydrophobicContact CG-CG 4.26Å; M200-P223 HydrophobicContact SD-CG 3.67Å; L201-P223 HydrophobicContact CD2-CB 3.84Å; L201-P223 HydrophobicContact CG-CB 3.99Å; A219-P223 VanDerWaalsContact O-CD 3.23Å; A219-P223 WeakPolarHBondContact O-CD 3.31Å; A219-P223 WeakPolarHBondContact O-CG 3.3Å; F220-P223 WeakPolarHBondContact O-CD 3.1Å; F220-P223 WeakPolarHBondContact O-CG 3.15Å; P223-M226 PolarHBondContact O-N 3.35Å; P223-Q227 WeakPolarHBondContact O-CB 3.36Å; P223-Q227 WeakPolarHBondContact O-CG 3.07Å; P223-Q227 PolarHBondContact O-N 2.78Å; P223-Q227 PolarHBondContact O-OE1 3.49Å
224I97.1Very high93.7Very high1 Ų136.5 Ų36.51%0.00519%0.185CC..Hα-helixtrans-58.6-51.9173.7-72.2168.8000110.8M200 F220 I222 M226 Q227 L228 A238 I289 W315 V317M200-I224 HydrophobicContact CE-CG1 4.25Å; F220-I224 HydrophobicContact CB-CD1 4.49Å; F220-I224 HydrophobicContact CD2-CD1 4.25Å; F220-I224 WeakPolarHBondContact O-CB 3.38Å; F220-I224 VanDerWaalsContact O-CD1 3.27Å; F220-I224 WeakPolarHBondContact O-CD1 3.49Å; F220-I224 WeakPolarHBondContact O-CG1 3.41Å; F220-I224 PolarHBondContact O-N 3.14Å; I222-I224 VanDerWaalsContact C-N 3.3Å; I222-I224 PolarHBondContact O-N 2.85Å; I224-M226 VanDerWaalsContact C-N 3.31Å; I224-M226 PolarHBondContact O-N 2.67Å; I224-Q227 PolarHBondContact O-N 2.84Å; I224-L228 HydrophobicContact CG2-CD1 3.89Å; I224-L228 HydrophobicContact CG2-CG 4.27Å; I224-L228 WeakPolarHBondContact O-CB 3.47Å; I224-L228 VanDerWaalsContact O-CG 3.25Å; I224-L228 WeakPolarHBondContact O-CG 3.26Å; I224-L228 PolarHBondContact O-N 2.9Å; I224-A238 HydrophobicContact CG2-CB 3.58Å; I224-I289 HydrophobicContact CG2-CD1 4.01Å; I224-W315 HydrophobicContact CD1-CB 4.49Å; I224-W315 HydrophobicContact CG1-CB 4.14Å; I224-W315 HydrophobicContact CG1-CG 4.11Å; I224-V317 HydrophobicContact CD1-CG2 3.74Å
225L96.6Very high94.2Very high4 Ų435.6 Ų35.62%0.02118%0.179CC..Hα-helixtrans-63.6-39.5-178.6-67.2170.4000111.5L177 S221 I222 K229 I258 F264 I289L177-L225 HydrophobicContact CD1-CB 4.43Å; L177-L225 HydrophobicContact CD1-CD1 3.83Å; L177-L225 HydrophobicContact CD2-CB 3.88Å; S221-L225 VanDerWaalsContact O-CG 3.28Å; S221-L225 WeakPolarHBondContact O-CG 3.43Å; S221-L225 PolarHBondContact O-N 2.81Å; S221-L225 VanDerWaalsContact O-N 3.08Å; I222-L225 PolarHBondContact O-N 2.89Å; L225-K229 PolarHBondContact O-N 3.44Å; L225-K229 VanDerWaalsContact O-N 3.11Å; L225-I258 HydrophobicContact CD1-CD1 3.6Å; L225-I258 HydrophobicContact CD1-CG1 3.63Å; L225-F264 HydrophobicContact CB-CE2 4.25Å; L225-F264 HydrophobicContact CD2-CB 4.49Å; L225-F264 HydrophobicContact CD2-CD2 3.37Å; L225-F264 HydrophobicContact CD2-CE2 3.62Å; L225-F264 HydrophobicContact CD2-CG 3.95Å; L225-F264 HydrophobicContact CD2-CZ 4.34Å; L225-I289 HydrophobicContact CD2-CD1 3.78Å
226M95.6Very high94.6Very high23 Ų2334.6 Ų34.611%0.11317%0.168CC..Hα-helixtrans-62.7-46.1176.4-71.2176.966.500112.4L167 I173 L177 L201 I222 P223 I224 K229L167-M226 HydrophobicContact CB-CE 4.42Å; L167-M226 HydrophobicContact CD1-SD 4.42Å; L167-M226 HydrophobicContact CD2-CE 4.46Å; I173-M226 HydrophobicContact CB-CE 3.82Å; I173-M226 HydrophobicContact CB-SD 4.23Å; I173-M226 HydrophobicContact CD1-CG 4.36Å; I173-M226 HydrophobicContact CD1-SD 3.88Å; I173-M226 HydrophobicContact CG1-CE 4.12Å; I173-M226 HydrophobicContact CG1-CG 3.95Å; I173-M226 HydrophobicContact CG1-SD 3.87Å; L177-M226 HydrophobicContact CD2-CG 3.7Å; L201-M226 HydrophobicContact CD1-CE 3.76Å; L201-M226 HydrophobicContact CD1-SD 4.12Å; L201-M226 HydrophobicContact CD2-CB 3.88Å; L201-M226 HydrophobicContact CD2-CE 3.99Å; L201-M226 HydrophobicContact CD2-SD 4.09Å; I222-M226 HydrophobicContact CG2-CG 4.4Å; I222-M226 HydrophobicContact CG2-SD 3.68Å; I222-M226 WeakPolarHBondContact O-CG 3.45Å; I222-M226 PolarHBondContact O-N 2.83Å; P223-M226 PolarHBondContact O-N 3.35Å; I224-M226 VanDerWaalsContact C-N 3.31Å; I224-M226 PolarHBondContact O-N 2.67Å; M226-K229 VanDerWaalsContact O-CG 3.3Å; M226-K229 WeakPolarHBondContact O-CG 3.36Å; M226-K229 PolarHBondContact O-N 2.89Å
227Q94.7Very high94.8Very high50 Ų5034.4 Ų34.423%0.23417%0.167CC..Hα-helixtrans-73.9-35.3-177.9-74.9170.2-44.800112.8M200 L201 P223 I224 K229 W315M200-Q227 PolarHBondContact O-NE2 3.3Å; L201-Q227 HydrophobicContact CD2-CG 4.06Å; L201-Q227 PolarHBondContact O-NE2 3.36Å; P223-Q227 WeakPolarHBondContact O-CB 3.36Å; P223-Q227 WeakPolarHBondContact O-CG 3.07Å; P223-Q227 PolarHBondContact O-N 2.78Å; P223-Q227 PolarHBondContact O-OE1 3.49Å; I224-Q227 PolarHBondContact O-N 2.84Å; Q227-K229 PolarHBondContact O-N 3.09Å; Q227-W315 VanDerWaalsContact OE1-CZ2 3.3Å
228L94.6Very high95Very high4 Ų433.3 Ų33.32%0.02116%0.16CC..Hα-helixtrans-70-21.6174.1-66.4-173.1000112.8I224 Q230 R237 A238 F264 I289I224-L228 HydrophobicContact CG2-CD1 3.89Å; I224-L228 HydrophobicContact CG2-CG 4.27Å; I224-L228 WeakPolarHBondContact O-CB 3.47Å; I224-L228 VanDerWaalsContact O-CG 3.25Å; I224-L228 WeakPolarHBondContact O-CG 3.26Å; I224-L228 PolarHBondContact O-N 2.9Å; L228-Q230 PolarHBondContact O-N 2.7Å; L228-Q230 VanDerWaalsContact O-O 3.12Å; L228-R237 HydrophobicContact CD1-CB 4.26Å; L228-R237 HydrophobicContact CD2-CB 3.45Å; L228-R237 VanDerWaalsContact CD2-CB 3.45Å; L228-R237 HydrophobicContact CD2-CG 4.43Å; L228-R237 PolarHBondContact O-NH1 3.08Å; L228-A238 HydrophobicContact CD1-CB 4.02Å; L228-F264 HydrophobicContact CB-CE1 3.67Å; L228-F264 HydrophobicContact CB-CZ 3.75Å; L228-F264 HydrophobicContact CD1-CE1 4.28Å; L228-I289 HydrophobicContact CD1-CD1 4.03Å; L228-I289 HydrophobicContact CD1-CG1 3.9Å
229K92.3Very high95.1Very high171 Ų17133 Ų3374%0.74316%0.159SC*.  trans61.9-62.4177.2-60.6179.5-179.1-174.60115.4L225 M226 Q227L225-K229 PolarHBondContact O-N 3.44Å; L225-K229 VanDerWaalsContact O-N 3.11Å; M226-K229 VanDerWaalsContact O-CG 3.3Å; M226-K229 WeakPolarHBondContact O-CG 3.36Å; M226-K229 PolarHBondContact O-N 2.89Å; Q227-K229 PolarHBondContact O-N 3.09Å
230Q91.9Very high95.1Very high130 Ų13033 Ų3361%0.60716%0.159SC*.SBendtrans-144.1161-176.270.9-175.13000110.7L228 R237L228-Q230 PolarHBondContact O-N 2.7Å; L228-Q230 VanDerWaalsContact O-O 3.12Å; Q230-R237 PolarHBondContact O-NH2 3.2Å
231P92.3Very high95Very high40 Ų4033 Ų3326%0.2616%0.159SC..  trans-62.1142.6175.9-18.932.5000112T262 G263 F264 D288P231-T262 WeakPolarHBondContact CD-O 3.45Å; P231-T262 WeakPolarHBondContact CG-O 3.4Å; P231-G263 WeakPolarHBondContact CG-O 3.4Å; P231-F264 HydrophobicContact CG-CD1 4.38Å; P231-D288 WeakPolarHBondContact CA-OD1 3.03Å
232T92.3Very high94.8Very high28 Ų2833 Ų3317%0.17216%0.159CC..  trans-138.4150.3177.269.60000111.7K234 R237 R265 D288T232-K234 PolarHBondContact O-N 2.85Å; T232-R237 WeakPolarHBondContact OG1-CD 3.48Å; T232-R237 VanDerWaalsContact OG1-CZ 3.25Å; T232-R237 PolarHBondContact OG1-NE 2.99Å; T232-R265 VanDerWaalsContact C-NH2 3.32Å; T232-R265 PolarHBondContact O-NH2 3.02Å; T232-D288 PolarHBondContact N-OD1 3.11Å
233N91.9Very high94.4Very high101 Ų10134.3 Ų34.354%0.5417%0.167SC..THydrogen-bonded Turntrans-85.638.9179.5-59.8-29.8000112.6R265 K285N233-R265 PolarHBondContact OD1-NH1 3Å; N233-R265 PolarHBondContact OD1-NH2 3.32Å; N233-K285 CarbonylContact C-O 3.58Å; N233-K285 WeakPolarHBondContact CA-O 3.5Å; N233-K285 WeakPolarHBondContact O-CB 3.44Å
234K91.4Very high93.8Very high127 Ų12734.7 Ų34.755%0.55217%0.17SC*.THydrogen-bonded Turntrans-96.8-5.7-178.6-65.9-174.1177.6-176.30113.5T232 S312T232-K234 PolarHBondContact O-N 2.85Å; K234-S312 WeakPolarHBondContact O-CB 3.45Å; K234-S312 PolarHBondContact O-OG 3.49Å
235G92.8Very high93.3Very high2 Ų239 Ų392%0.02119%0.186CC..SBendtrans88.8-164.5-170.900000111.9R237 K285 F287G235-R237 PolarHBondContact O-N 3.16Å; G235-K285 PolarHBondContact N-O 3Å; G235-F287 CarbonylContact C-O 3.46Å; G235-F287 VanDerWaalsContact CA-CD2 3.47Å; G235-F287 WeakPolarHBondContact CA-O 3.49Å
236F96Very high92.8Very high1 Ų139.9 Ų39.90%0.00419%0.19CC..  trans-64.6122.1-174.7-67.1-62.2000110.7H267 F279 F287 L290 I308 S312 V313F236-H267 HydrophobicContact CE1-CB 4.31Å; F236-H267 HydrophobicContact CZ-CB 4.46Å; F236-F279 HydrophobicContact CE2-CB 4.19Å; F236-F279 AromaticContact CE2-CD1 3.9Å; F236-F279 HydrophobicContact CE2-CD1 3.9Å; F236-F279 HydrophobicContact CE2-CD2 4.36Å; F236-F279 HydrophobicContact CE2-CE1 4.36Å; F236-F279 AromaticContact CE2-CG 3.9Å; F236-F279 HydrophobicContact CE2-CG 3.9Å; F236-F279 AromaticContact CZ-CD1 3.69Å; F236-F279 HydrophobicContact CZ-CD1 3.69Å; F236-F279 HydrophobicContact CZ-CD2 4.32Å; F236-F279 AromaticContact CZ-CE1 3.68Å; F236-F279 HydrophobicContact CZ-CE1 3.68Å; F236-F279 HydrophobicContact CZ-CE2 4.31Å; F236-F279 HydrophobicContact CZ-CG 4.02Å; F236-F279 HydrophobicContact CZ-CZ 4.01Å; F236-F287 HydrophobicContact CB-CD2 4.33Å; F236-F287 HydrophobicContact CD1-CB 4.26Å; F236-F287 AromaticContact CD1-CD2 3.58Å; F236-F287 HydrophobicContact CD1-CD2 3.58Å; F236-F287 HydrophobicContact CD1-CE2 4.39Å; F236-F287 HydrophobicContact CD1-CG 4.34Å; F236-F287 AromaticContact CD2-CD2 3.45Å; F236-F287 HydrophobicContact CD2-CD2 3.45Å; F236-F287 VanDerWaalsContact CD2-CD2 3.45Å; F236-F287 AromaticContact CD2-CE2 3.42Å; F236-F287 HydrophobicContact CD2-CE2 3.42Å; F236-F287 VanDerWaalsContact CD2-CE2 3.42Å; F236-F287 HydrophobicContact CE1-CB 3.77Å; F236-F287 AromaticContact CE1-CD2 3.61Å; F236-F287 HydrophobicContact CE1-CD2 3.61Å; F236-F287 HydrophobicContact CE1-CE2 4.5Å; F236-F287 AromaticContact CE1-CG 3.99Å; F236-F287 HydrophobicContact CE1-CG 3.99Å; F236-F287 AromaticContact CE2-CD2 3.45Å; F236-F287 HydrophobicContact CE2-CD2 3.45Å; F236-F287 VanDerWaalsContact CE2-CD2 3.45Å; F236-F287 AromaticContact CE2-CE2 3.53Å; F236-F287 HydrophobicContact CE2-CE2 3.53Å; F236-F287 HydrophobicContact CE2-CG 4.2Å; F236-F287 HydrophobicContact CE2-CZ 4.34Å; F236-F287 AromaticContact CG-CD2 3.51Å; F236-F287 HydrophobicContact CG-CD2 3.51Å; F236-F287 AromaticContact CG-CE2 3.88Å; F236-F287 HydrophobicContact CG-CE2 3.88Å; F236-F287 HydrophobicContact CZ-CB 4.09Å; F236-F287 AromaticContact CZ-CD2 3.55Å; F236-F287 HydrophobicContact CZ-CD2 3.55Å; F236-F287 HydrophobicContact CZ-CE2 4.11Å; F236-F287 AromaticContact CZ-CG 3.91Å; F236-F287 HydrophobicContact CZ-CG 3.91Å; F236-F287 VanDerWaalsContact N-CD2 3.32Å; F236-L290 HydrophobicContact CD1-CB 3.57Å; F236-L290 HydrophobicContact CD2-CB 4.36Å; F236-L290 HydrophobicContact CD2-CD2 4.38Å; F236-L290 HydrophobicContact CE1-CB 3.61Å; F236-L290 HydrophobicContact CE1-CD1 4.24Å; F236-L290 HydrophobicContact CE1-CG 4.42Å; F236-L290 HydrophobicContact CE2-CB 4.41Å; F236-L290 HydrophobicContact CE2-CD2 4.24Å; F236-L290 HydrophobicContact CG-CB 3.96Å; F236-L290 HydrophobicContact CZ-CB 4.04Å; F236-L290 HydrophobicContact CZ-CD1 4.03Å; F236-L290 HydrophobicContact CZ-CD2 4.44Å; F236-L290 HydrophobicContact CZ-CG 4.41Å; F236-I308 HydrophobicContact CD2-CD1 4.01Å; F236-I308 HydrophobicContact CD2-CG1 4.08Å; F236-I308 HydrophobicContact CE2-CD1 3.72Å; F236-I308 HydrophobicContact CE2-CG1 3.97Å; F236-S312 CarbonylContact O-C 3.57Å; F236-S312 VanDerWaalsContact O-C 3.28Å; F236-V313 HydrophobicContact CB-CG2 4.41Å; F236-V313 WeakPolarHBondContact O-CG2 3.04Å; F236-V313 PolarHBondContact O-N 3.4Å
237R96.6Very high92.4Very high12 Ų1239.1 Ų39.15%0.04519%0.186CC..SBendtrans-107.2-15.9174.8-64.7-178.3-66.6156.5-2.7112.8L228 Q230 T232 G235 D288 S312 E314 W315L228-R237 HydrophobicContact CD1-CB 4.26Å; L228-R237 HydrophobicContact CD2-CB 3.45Å; L228-R237 VanDerWaalsContact CD2-CB 3.45Å; L228-R237 HydrophobicContact CD2-CG 4.43Å; L228-R237 PolarHBondContact O-NH1 3.08Å; Q230-R237 PolarHBondContact O-NH2 3.2Å; T232-R237 WeakPolarHBondContact OG1-CD 3.48Å; T232-R237 VanDerWaalsContact OG1-CZ 3.25Å; T232-R237 PolarHBondContact OG1-NE 2.99Å; G235-R237 PolarHBondContact O-N 3.16Å; R237-D288 IonicContact CZ-OD1 2.8Å; R237-D288 PolarHBondContact N-O 3.27Å; R237-D288 IonicContact NE-OD1 3.11Å; R237-D288 IonicContact NH2-OD1 3.86Å; R237-D288 PolarHBondContact NH2-OD1 3.33Å; R237-S312 WeakPolarHBondContact CA-O 3.49Å; R237-E314 PolarHBondContact O-N 3.22Å; R237-W315 PolarHBondContact O-N 3.42Å; R237-W315 VanDerWaalsContact O-N 3.14Å
238A97.7Very high92.3Very high0 Ų036.8 Ų36.80%018%0.175CC..EExtended strand (participates in β ladder)trans-133.6140.7168.600000111.3I224 L228 D288 I289 L290 W315I224-A238 HydrophobicContact CG2-CB 3.58Å; L228-A238 HydrophobicContact CD1-CB 4.02Å; A238-D288 PolarHBondContact N-O 3.11Å; A238-I289 HydrophobicContact CB-CG1 4.19Å; A238-I289 HydrophobicContact CB-CG2 4.17Å; A238-I289 WeakPolarHBondContact O-CA 3.49Å; A238-L290 PolarHBondContact O-N 3.15Å; A238-W315 CarbonylContact C-O 3.59Å; A238-W315 WeakPolarHBondContact CA-O 3.28Å; A238-W315 HydrophobicContact CB-CB 4.22Å
239L97.7Very high92.2Very high0 Ų038.4 Ų38.40%019%0.187CC..EExtended strand (participates in β ladder)trans-127.3120.7179173.756.1000109.4I241 L290 T292 L297 L310 V313 W315 L316 V317 I339L239-I241 HydrophobicContact CD1-CG1 4.24Å; L239-I241 HydrophobicContact CD2-CD1 4.27Å; L239-I241 HydrophobicContact CD2-CG1 4.43Å; L239-I241 HydrophobicContact CG-CD1 4.41Å; L239-I241 HydrophobicContact CG-CG1 4.04Å; L239-L290 CarbonylContact C-O 3.33Å; L239-L290 WeakPolarHBondContact CA-O 3.28Å; L239-L290 HydrophobicContact CD1-CB 3.99Å; L239-L290 HydrophobicContact CD1-CD2 3.82Å; L239-L290 HydrophobicContact CD1-CG 3.93Å; L239-T292 HydrophobicContact CD1-CG2 3.9Å; L239-L297 HydrophobicContact CD1-CD2 4.12Å; L239-L297 HydrophobicContact CD2-CD2 3.59Å; L239-L297 HydrophobicContact CG-CD2 4.43Å; L239-L310 HydrophobicContact CD2-CD1 3.98Å; L239-L310 HydrophobicContact CD2-CD2 4.36Å; L239-V313 HydrophobicContact CB-CG1 4.2Å; L239-V313 HydrophobicContact CB-CG2 4.46Å; L239-W315 PolarHBondContact N-O 2.85Å; L239-L316 HydrophobicContact CB-CD1 4.02Å; L239-L316 HydrophobicContact CD2-CD1 3.7Å; L239-L316 HydrophobicContact CG-CD1 3.7Å; L239-L316 WeakPolarHBondContact O-CA 3.49Å; L239-V317 PolarHBondContact O-N 3.33Å; L239-I339 HydrophobicContact CD2-CG2 4.02Å
240V97.7Very high92Very high0 Ų032.8 Ų32.80%016%0.164CC..EExtended strand (participates in β ladder)trans-112.1121.2173.6-171.40000109.7F220 I251 L290 V291 T292 V317F220-V240 HydrophobicContact CE2-CG1 4.07Å; F220-V240 HydrophobicContact CE2-CG2 4.28Å; F220-V240 HydrophobicContact CZ-CG1 4.17Å; V240-I251 HydrophobicContact CG1-CD1 4.18Å; V240-I251 HydrophobicContact CG1-CG2 4.08Å; V240-L290 PolarHBondContact N-O 2.84Å; V240-V291 HydrophobicContact CB-CG1 4.3Å; V240-V291 HydrophobicContact CB-CG2 4.3Å; V240-V291 WeakPolarHBondContact O-CA 3.42Å; V240-T292 PolarHBondContact O-N 3.37Å; V240-V317 CarbonylContact C-O 3.42Å; V240-V317 WeakPolarHBondContact CA-O 3.11Å; V240-V317 HydrophobicContact CG1-CB 4.26Å; V240-V317 HydrophobicContact CG1-CG1 4.28Å; V240-V317 HydrophobicContact CG2-CB 4.24Å
241I95.7Very high92.1Very high0 Ų026.6 Ų26.60%014%0.135CC..EExtended strand (participates in β ladder)trans-107133.5-179.6-58.3-174.4000108.8L239 T292 P294 L297 L316 V317 V318 D319 L324 F332 I339L239-I241 HydrophobicContact CD1-CG1 4.24Å; L239-I241 HydrophobicContact CD2-CD1 4.27Å; L239-I241 HydrophobicContact CD2-CG1 4.43Å; L239-I241 HydrophobicContact CG-CD1 4.41Å; L239-I241 HydrophobicContact CG-CG1 4.04Å; I241-T292 WeakPolarHBondContact CA-O 3.25Å; I241-P294 HydrophobicContact CG2-CB 4.47Å; I241-P294 HydrophobicContact CG2-CG 3.62Å; I241-L297 HydrophobicContact CD1-CD2 4.2Å; I241-L316 HydrophobicContact CD1-CD1 3.86Å; I241-L316 HydrophobicContact CG1-CD1 4.17Å; I241-V317 PolarHBondContact N-O 3.14Å; I241-V318 HydrophobicContact CB-CG2 4.5Å; I241-D319 PolarHBondContact O-N 3.12Å; I241-L324 HydrophobicContact CG2-CD1 4.38Å; I241-F332 HydrophobicContact CG2-CE2 4.26Å; I241-F332 HydrophobicContact CG2-CZ 4.41Å; I241-I339 HydrophobicContact CD1-CD1 3.64Å; I241-I339 HydrophobicContact CD1-CG2 4.02Å
242S92.4Very high92.3Very high0 Ų026.1 Ų26.10%013%0.129CC..  trans-138151.6176.140.10000111T244 A248 T292 T293 P294S242-T244 PolarHBondContact O-N 3.31Å; S242-A248 VanDerWaalsContact OG-CA 3.23Å; S242-A248 WeakPolarHBondContact OG-CA 3.27Å; S242-A248 WeakPolarHBondContact OG-CB 3.14Å; S242-A248 PolarHBondContact OG-N 2.82Å; S242-T292 PolarHBondContact N-O 2.96Å; S242-T292 PolarHBondContact OG-O 3.42Å; S242-T293 WeakPolarHBondContact O-CA 3.39Å; S242-P294 WeakPolarHBondContact O-CD 3.49Å
243P87.5Confident92.3Very high27 Ų2731 Ų3118%0.17514%0.144CC..SBendtrans-63.1-34.3-175.420.7-34.5000114.8L247 D319 E320 K323 L324P243-L247 HydrophobicContact CG-CD2 4.1Å; P243-D319 VanDerWaalsContact CD-O 3.28Å; P243-D319 WeakPolarHBondContact CD-O 3.41Å; P243-E320 HydrophobicContact CG-CB 3.69Å; P243-K323 HydrophobicContact CB-CB 4.48Å; P243-K323 HydrophobicContact CB-CG 3.97Å; P243-K323 HydrophobicContact CG-CB 4.37Å; P243-K323 HydrophobicContact CG-CG 4.24Å; P243-L324 HydrophobicContact CB-CD2 3.85Å; P243-L324 HydrophobicContact CB-CG 4Å; P243-L324 HydrophobicContact CG-CG 4.47Å
244T85.4Confident92.4Very high8 Ų828.4 Ų28.45%0.04913%0.128CC..SBendtrans-123.1155.5-174.372.20000111.6S242 E246 L247 A248 L472 R475S242-T244 PolarHBondContact O-N 3.31Å; T244-E246 VanDerWaalsContact C-N 3.27Å; T244-E246 PolarHBondContact O-N 3.22Å; T244-L247 PolarHBondContact O-N 3.44Å; T244-L247 WeakPolarHBondContact OG1-CB 3.36Å; T244-L247 PolarHBondContact OG1-N 3.17Å; T244-L247 VanDerWaalsContact OG1-N 3.16Å; T244-A248 WeakPolarHBondContact O-CB 3.41Å; T244-A248 PolarHBondContact O-N 2.99Å; T244-L472 HydrophobicContact CG2-CD1 4.02Å; T244-L472 HydrophobicContact CG2-CG 4.44Å; T244-R475 HydrophobicContact CG2-CB 3.96Å; T244-R475 PolarHBondContact OG1-O 3.47Å
245R86.4Confident92.6Very high92 Ų9222.3 Ų22.335%0.34710%0.102SC..Hα-helixtrans-66.7-35.8176.9-170177.577.1179.2-0.1110.8L247 A248 S249 M268 Q449R245-L247 VanDerWaalsContact C-N 3.33Å; R245-A248 PolarHBondContact O-N 2.98Å; R245-S249 WeakPolarHBondContact O-CB 3.44Å; R245-S249 PolarHBondContact O-N 3.16Å; R245-M268 HydrophobicContact CG-CE 3.79Å; R245-M268 WeakPolarHBondContact O-CE 3.39Å; R245-Q449 VanDerWaalsContact NH2-CB 3.33Å; R245-Q449 VanDerWaalsContact NH2-CG 3.34Å
246E85.3Confident92.7Very high21 Ų2126.1 Ų26.110%0.09812%0.121CC..Hα-helixtrans-61.6-43.9179-67.472.3-162.700110.5T244 S249 Q250 R452 R475 I477T244-E246 VanDerWaalsContact C-N 3.27Å; T244-E246 PolarHBondContact O-N 3.22Å; E246-S249 PolarHBondContact O-N 3.43Å; E246-Q250 PolarHBondContact O-N 2.99Å; E246-R452 IonicContact OE1-CZ 2.93Å; E246-R452 IonicContact OE1-NH1 2.85Å; E246-R452 PolarHBondContact OE1-NH1 2.88Å; E246-R475 WeakPolarHBondContact CB-O 3.41Å; E246-I477 HydrophobicContact CB-CG1 4.11Å; E246-I477 HydrophobicContact CG-CD1 4.37Å; E246-I477 HydrophobicContact CG-CG1 4.05Å
247L88.2Confident92.6Very high8 Ų830 Ų304%0.04214%0.138CC..Hα-helixtrans-69-44.2177.3-179.159.4000111.5P243 T244 R245 S249 Q250 I251 E320 G476P243-L247 HydrophobicContact CG-CD2 4.1Å; T244-L247 PolarHBondContact O-N 3.44Å; T244-L247 WeakPolarHBondContact OG1-CB 3.36Å; T244-L247 PolarHBondContact OG1-N 3.17Å; T244-L247 VanDerWaalsContact OG1-N 3.16Å; R245-L247 VanDerWaalsContact C-N 3.33Å; L247-S249 PolarHBondContact O-N 2.86Å; L247-Q250 WeakPolarHBondContact O-CB 3.46Å; L247-Q250 PolarHBondContact O-N 3.02Å; L247-Q250 VanDerWaalsContact O-N 3.09Å; L247-I251 HydrophobicContact CD1-CD1 4.29Å; L247-I251 HydrophobicContact CD1-CG1 4.37Å; L247-I251 HydrophobicContact CG-CD1 4.02Å; L247-I251 WeakPolarHBondContact O-CG1 3.39Å; L247-I251 PolarHBondContact O-N 2.88Å; L247-E320 HydrophobicContact CD2-CB 4.16Å; L247-E320 VanDerWaalsContact CD2-CD 3.44Å; L247-E320 HydrophobicContact CD2-CG 3.68Å; L247-G476 VanDerWaalsContact CA-CA 3.43Å
248A92.5Very high92.5Very high0 Ų029.5 Ų29.50%014%0.136CC..Hα-helixtrans-54.9-39.2172.900000111.4S242 T244 R245 H252 M268 V291S242-A248 VanDerWaalsContact OG-CA 3.23Å; S242-A248 WeakPolarHBondContact OG-CA 3.27Å; S242-A248 WeakPolarHBondContact OG-CB 3.14Å; S242-A248 PolarHBondContact OG-N 2.82Å; T244-A248 WeakPolarHBondContact O-CB 3.41Å; T244-A248 PolarHBondContact O-N 2.99Å; R245-A248 PolarHBondContact O-N 2.98Å; A248-H252 VanDerWaalsContact O-CB 3.22Å; A248-H252 WeakPolarHBondContact O-CB 3.4Å; A248-H252 PolarHBondContact O-N 3.35Å; A248-M268 VanDerWaalsContact C-CE 3.43Å; A248-M268 HydrophobicContact CB-CE 3.32Å; A248-V291 HydrophobicContact CB-CG1 4.02Å; A248-V291 VanDerWaalsContact O-CG1 3.27Å; A248-V291 WeakPolarHBondContact O-CG1 3.42Å
249S91.5Very high92.4Very high39 Ų3929.8 Ų29.827%0.27314%0.138SC..Hα-helixtrans-72.1-34.5178.8-179.80000112.3R245 E246 L247 R253R245-S249 WeakPolarHBondContact O-CB 3.44Å; R245-S249 PolarHBondContact O-N 3.16Å; E246-S249 PolarHBondContact O-N 3.43Å; L247-S249 PolarHBondContact O-N 2.86Å; S249-R253 WeakPolarHBondContact O-CG 3.22Å; S249-R253 PolarHBondContact O-N 3.46Å; S249-R253 VanDerWaalsContact O-N 3.1Å; S249-R253 PolarHBondContact O-NE 3.45Å
250Q89.4Confident92.3Very high53 Ų5335.7 Ų35.725%0.24817%0.166CC..Hα-helixtrans-63.2-50172.1-176.9-178.8-11.400111E246 L247 H252 R253 E254 G476E246-Q250 PolarHBondContact O-N 2.99Å; L247-Q250 WeakPolarHBondContact O-CB 3.46Å; L247-Q250 PolarHBondContact O-N 3.02Å; L247-Q250 VanDerWaalsContact O-N 3.09Å; Q250-H252 VanDerWaalsContact C-N 3.34Å; Q250-H252 PolarHBondContact O-N 2.95Å; Q250-R253 PolarHBondContact O-N 2.86Å; Q250-E254 PolarHBondContact O-N 3.34Å; Q250-G476 PolarHBondContact OE1-O 3.24Å; Q250-G476 VanDerWaalsContact OE1-O 3.09Å
251I94.2Very high92Very high0 Ų038.7 Ų38.70%020%0.197CC..Hα-helixtrans-60.6-44.5178.1-64.8165.9000110.8T217 F220 V240 L247 R253 E254 L255 V291 D319T217-I251 HydrophobicContact CG2-CB 4.42Å; T217-I251 HydrophobicContact CG2-CG1 4.18Å; T217-I251 HydrophobicContact CG2-CG2 4.3Å; F220-I251 HydrophobicContact CE2-CG2 3.98Å; F220-I251 HydrophobicContact CZ-CD1 4.28Å; F220-I251 HydrophobicContact CZ-CG1 4.33Å; F220-I251 HydrophobicContact CZ-CG2 4.03Å; V240-I251 HydrophobicContact CG1-CD1 4.18Å; V240-I251 HydrophobicContact CG1-CG2 4.08Å; L247-I251 HydrophobicContact CD1-CD1 4.29Å; L247-I251 HydrophobicContact CD1-CG1 4.37Å; L247-I251 HydrophobicContact CG-CD1 4.02Å; L247-I251 WeakPolarHBondContact O-CG1 3.39Å; L247-I251 PolarHBondContact O-N 2.88Å; I251-R253 PolarHBondContact O-N 3.28Å; I251-E254 PolarHBondContact O-N 3.11Å; I251-L255 HydrophobicContact CG2-CD1 3.84Å; I251-L255 HydrophobicContact CG2-CG 4.49Å; I251-L255 WeakPolarHBondContact O-CB 3.28Å; I251-L255 PolarHBondContact O-N 3.04Å; I251-V291 HydrophobicContact CB-CG1 4Å; I251-V291 HydrophobicContact CG2-CG1 3.89Å; I251-V291 HydrophobicContact CG2-CG2 4.18Å; I251-D319 HydrophobicContact CD1-CB 4.09Å; I251-D319 WeakPolarHBondContact CD1-OD2 3.26Å
252H95.5Very high91.9Very high29 Ų2940.2 Ų40.213%0.13421%0.206CC..Hα-helixtrans-57.6-46177.9176.9-104.8000112.5A248 Q250 I256 I266 M268 V291A248-H252 VanDerWaalsContact O-CB 3.22Å; A248-H252 WeakPolarHBondContact O-CB 3.4Å; A248-H252 PolarHBondContact O-N 3.35Å; Q250-H252 VanDerWaalsContact C-N 3.34Å; Q250-H252 PolarHBondContact O-N 2.95Å; H252-I256 WeakPolarHBondContact CE1-CD1 3.24Å; H252-I256 WeakPolarHBondContact NE2-CD1 3.33Å; H252-I256 WeakPolarHBondContact O-CG1 3.26Å; H252-I256 PolarHBondContact O-N 3.3Å; H252-I266 PolarHBondContact NE2-O 3.1Å; H252-I266 VanDerWaalsContact NE2-O 3.14Å; H252-M268 HydrophobicContact CB-CB 4.45Å; H252-V291 HydrophobicContact CB-CB 4.35Å; H252-V291 HydrophobicContact CB-CG2 4.39Å
253R93.4Very high91.9Very high131 Ų13142.6 Ų42.649%0.49423%0.231SC..Hα-helixtrans-64.4-42.1176.8-75.1-179.4-67.7161.9-0.8112.5S249 Q250 I251 I256 K257S249-R253 WeakPolarHBondContact O-CG 3.22Å; S249-R253 PolarHBondContact O-N 3.46Å; S249-R253 VanDerWaalsContact O-N 3.1Å; S249-R253 PolarHBondContact O-NE 3.45Å; Q250-R253 PolarHBondContact O-N 2.86Å; I251-R253 PolarHBondContact O-N 3.28Å; R253-I256 PolarHBondContact O-N 3.23Å; R253-K257 WeakPolarHBondContact O-CB 3.23Å; R253-K257 PolarHBondContact O-N 3.24Å
254E93.1Very high92.2Very high46 Ų4642.3 Ų42.322%0.21523%0.227CC..Hα-helixtrans-64.7-44.9179.4-163.164.3-16100111.2F186 T217 L218 Q250 I251 I256 K257 I258F186-E254 WeakPolarHBondContact CZ-OE1 3.36Å; T217-E254 HydrophobicContact CG2-CB 3.92Å; T217-E254 HydrophobicContact CG2-CG 3.96Å; L218-E254 HydrophobicContact CD2-CG 3.9Å; Q250-E254 PolarHBondContact O-N 3.34Å; I251-E254 PolarHBondContact O-N 3.11Å; E254-I256 PolarHBondContact O-N 2.93Å; E254-K257 WeakPolarHBondContact O-CB 3.46Å; E254-K257 PolarHBondContact O-N 2.89Å; E254-I258 WeakPolarHBondContact O-CG1 3.41Å; E254-I258 PolarHBondContact O-N 3.08Å
255L95.8Very high92.7Very high0 Ų044.7 Ų44.70%024%0.235CC..Hα-helixtrans-59-43.9174.7-84.9165.4000112S221 I251 S259 I266 I289 V291S221-L255 VanDerWaalsContact CB-CD2 3.48Å; S221-L255 WeakPolarHBondContact OG-CD2 3.31Å; I251-L255 HydrophobicContact CG2-CD1 3.84Å; I251-L255 HydrophobicContact CG2-CG 4.49Å; I251-L255 WeakPolarHBondContact O-CB 3.28Å; I251-L255 PolarHBondContact O-N 3.04Å; L255-S259 WeakPolarHBondContact O-CB 3.27Å; L255-S259 PolarHBondContact O-N 3.48Å; L255-S259 PolarHBondContact O-OG 2.71Å; L255-I266 HydrophobicContact CB-CD1 3.9Å; L255-I266 HydrophobicContact CB-CG2 4.2Å; L255-I266 HydrophobicContact CD1-CG2 4.34Å; L255-I266 WeakPolarHBondContact O-CD1 3.2Å; L255-I289 HydrophobicContact CD1-CG2 4.26Å; L255-V291 HydrophobicContact CD1-CG2 3.63Å
256I95.6Very high93.1Very high81 Ų8140.9 Ų40.942%0.41522%0.221SC..Hα-helixtrans-60.8-47.5176-74.1174.9000110.5H252 R253 E254 I258 S259 E260 I266H252-I256 WeakPolarHBondContact CE1-CD1 3.24Å; H252-I256 WeakPolarHBondContact NE2-CD1 3.33Å; H252-I256 WeakPolarHBondContact O-CG1 3.26Å; H252-I256 PolarHBondContact O-N 3.3Å; R253-I256 PolarHBondContact O-N 3.23Å; E254-I256 PolarHBondContact O-N 2.93Å; I256-I258 PolarHBondContact O-N 3.03Å; I256-S259 PolarHBondContact O-N 3.36Å; I256-S259 PolarHBondContact O-OG 2.98Å; I256-E260 PolarHBondContact O-N 2.96Å; I256-E260 VanDerWaalsContact O-N 3.16Å; I256-I266 HydrophobicContact CG1-CB 4.33Å; I256-I266 HydrophobicContact CG1-CD1 4.13Å
257K94.2Very high93.6Very high84 Ų8441.6 Ų41.637%0.36522%0.224SC..Hα-helixtrans-57-51.6-178.7-173.5-173.4179-165.70111.4A184 R253 E254 S259 E260A184-K257 HydrophobicContact CB-CD 4.17Å; A184-K257 VanDerWaalsContact CB-CE 3.48Å; A184-K257 PolarHBondContact O-NZ 3.42Å; R253-K257 WeakPolarHBondContact O-CB 3.23Å; R253-K257 PolarHBondContact O-N 3.24Å; E254-K257 WeakPolarHBondContact O-CB 3.46Å; E254-K257 PolarHBondContact O-N 2.89Å; K257-S259 VanDerWaalsContact C-N 3.3Å; K257-S259 PolarHBondContact O-N 2.96Å; K257-E260 WeakPolarHBondContact O-CB 3.23Å; K257-E260 PolarHBondContact O-N 3.39Å
258I94.5Very high93.8Very high0 Ų042 Ų420%023%0.226CC..Hα-helixtrans-76-18.1-176.969172.9000113.5L177 N180 L218 L225 E254 I256L177-I258 WeakPolarHBondContact CD1-O 3.09Å; N180-I258 VanDerWaalsContact CB-O 3.29Å; N180-I258 WeakPolarHBondContact CB-O 3.41Å; N180-I258 PolarHBondContact ND2-O 3.38Å; L218-I258 HydrophobicContact CD2-CD1 3.88Å; L218-I258 HydrophobicContact CD2-CG2 3.72Å; L225-I258 HydrophobicContact CD1-CD1 3.6Å; L225-I258 HydrophobicContact CD1-CG1 3.63Å; E254-I258 WeakPolarHBondContact O-CG1 3.41Å; E254-I258 PolarHBondContact O-N 3.08Å; I256-I258 PolarHBondContact O-N 3.03Å
259S95.3Very high93.7Very high7 Ų742.4 Ų42.45%0.04923%0.228CC..THydrogen-bonded Turntrans-96.47.1178.265.80000113.2L255 I256 K257 G261 T262 I266L255-S259 WeakPolarHBondContact O-CB 3.27Å; L255-S259 PolarHBondContact O-N 3.48Å; L255-S259 PolarHBondContact O-OG 2.71Å; I256-S259 PolarHBondContact O-N 3.36Å; I256-S259 PolarHBondContact O-OG 2.98Å; K257-S259 VanDerWaalsContact C-N 3.3Å; K257-S259 PolarHBondContact O-N 2.96Å; S259-G261 PolarHBondContact O-N 3.07Å; S259-T262 WeakPolarHBondContact O-CB 3.35Å; S259-T262 PolarHBondContact O-N 3.21Å; S259-T262 PolarHBondContact O-OG1 3.45Å; S259-I266 WeakPolarHBondContact OG-CD1 3.45Å
260E94.2Very high93.2Very high124 Ų12445.7 Ų45.758%0.57924%0.239SC*.THydrogen-bonded Turntrans-55.5129.3-178.5-173.6168.6-171.200112.1R176 N180 I256 K257 T262R176-E260 PolarHBondContact NE-O 3.49Å; R176-E260 PolarHBondContact NH2-O 2.95Å; N180-E260 PolarHBondContact ND2-N 2.99Å; N180-E260 PolarHBondContact ND2-O 3.1Å; N180-E260 PolarHBondContact OD1-O 3.44Å; I256-E260 PolarHBondContact O-N 2.96Å; I256-E260 VanDerWaalsContact O-N 3.16Å; K257-E260 WeakPolarHBondContact O-CB 3.23Å; K257-E260 PolarHBondContact O-N 3.39Å; E260-T262 VanDerWaalsContact C-N 3.25Å; E260-T262 PolarHBondContact O-N 3.1Å
261G92.4Very high92.8Very high63 Ų6349.8 Ų49.865%0.64926%0.256SS*.THydrogen-bonded Turntrans75.9-0.1-178.200000116S259S259-G261 PolarHBondContact O-N 3.07Å
262T92.5Very high91.9Very high32 Ų3250 Ų5020%0.19626%0.258CS..SBendtrans-87.1-13.4172.766.40000113.2R176 P231 S259 E260 F264R176-T262 HydrophobicContact CG-CG2 4.11Å; P231-T262 WeakPolarHBondContact CD-O 3.45Å; P231-T262 WeakPolarHBondContact CG-O 3.4Å; S259-T262 WeakPolarHBondContact O-CB 3.35Å; S259-T262 PolarHBondContact O-N 3.21Å; S259-T262 PolarHBondContact O-OG1 3.45Å; E260-T262 VanDerWaalsContact C-N 3.25Å; E260-T262 PolarHBondContact O-N 3.1Å; T262-F264 VanDerWaalsContact C-N 3.35Å; T262-F264 WeakPolarHBondContact OG1-CD2 3.34Å
263G92.6Very high91Very high50 Ų5052.2 Ų52.252%0.51528%0.281SS..  trans81.91.1-179.200000115.4P231 R265P231-G263 WeakPolarHBondContact CG-O 3.4Å; G263-R265 PolarHBondContact O-N 3.42Å
264F95.2Very high90.4Very high21 Ų2151 Ų519%0.09228%0.283CS..  trans-60.1134-178.8-80.9-65.2000112.1L225 L228 P231 T262 I266 D288L225-F264 HydrophobicContact CB-CE2 4.25Å; L225-F264 HydrophobicContact CD2-CB 4.49Å; L225-F264 HydrophobicContact CD2-CD2 3.37Å; L225-F264 HydrophobicContact CD2-CE2 3.62Å; L225-F264 HydrophobicContact CD2-CG 3.95Å; L225-F264 HydrophobicContact CD2-CZ 4.34Å; L228-F264 HydrophobicContact CB-CE1 3.67Å; L228-F264 HydrophobicContact CB-CZ 3.75Å; L228-F264 HydrophobicContact CD1-CE1 4.28Å; P231-F264 HydrophobicContact CG-CD1 4.38Å; T262-F264 VanDerWaalsContact C-N 3.35Å; T262-F264 WeakPolarHBondContact OG1-CD2 3.34Å; F264-I266 HydrophobicContact CB-CD1 4.44Å; F264-I266 HydrophobicContact CB-CG1 4.26Å; F264-D288 HydrophobicContact CD1-CB 4Å
265R94.5Very high89.7Confident58 Ų5849 Ų4922%0.21927%0.274CS..  trans-99.396.3178.8-64.6160.1-58.6-175.99.2109.6T232 N233 G263 K286 D288 I289T232-R265 VanDerWaalsContact C-NH2 3.32Å; T232-R265 PolarHBondContact O-NH2 3.02Å; N233-R265 PolarHBondContact OD1-NH1 3Å; N233-R265 PolarHBondContact OD1-NH2 3.32Å; G263-R265 PolarHBondContact O-N 3.42Å; R265-K286 WeakPolarHBondContact CD-O 3.28Å; R265-D288 IonicContact CZ-OD2 2.68Å; R265-D288 PolarHBondContact N-OD2 3.38Å; R265-D288 IonicContact NE-OD2 3.69Å; R265-D288 PolarHBondContact NE-OD2 3.12Å; R265-D288 IonicContact NH2-OD1 3.67Å; R265-D288 IonicContact NH2-OD2 2.77Å; R265-D288 PolarHBondContact NH2-OD2 3.31Å; R265-D288 PolarHBondContact O-N 3.13Å; R265-I289 PolarHBondContact O-N 2.88Å
266I96Very high88.7Confident12 Ų1250.1 Ų50.16%0.06228%0.284CS..EExtended strand (participates in β ladder)trans-101.4126.5-175.7-52.9156.2000109.3H252 L255 I256 S259 F264 I289 V291H252-I266 PolarHBondContact NE2-O 3.1Å; H252-I266 VanDerWaalsContact NE2-O 3.14Å; L255-I266 HydrophobicContact CB-CD1 3.9Å; L255-I266 HydrophobicContact CB-CG2 4.2Å; L255-I266 HydrophobicContact CD1-CG2 4.34Å; L255-I266 WeakPolarHBondContact O-CD1 3.2Å; I256-I266 HydrophobicContact CG1-CB 4.33Å; I256-I266 HydrophobicContact CG1-CD1 4.13Å; S259-I266 WeakPolarHBondContact OG-CD1 3.45Å; F264-I266 HydrophobicContact CB-CD1 4.44Å; F264-I266 HydrophobicContact CB-CG1 4.26Å; I266-I289 WeakPolarHBondContact CA-O 3.49Å; I266-I289 HydrophobicContact CB-CB 4.42Å; I266-I289 HydrophobicContact CG1-CB 4.09Å; I266-I289 HydrophobicContact CG1-CD1 4.19Å; I266-I289 HydrophobicContact CG1-CG1 4.39Å; I266-I289 HydrophobicContact CG2-CB 4.14Å; I266-I289 HydrophobicContact CG2-CG2 4.2Å; I266-V291 HydrophobicContact CG2-CG2 4.38Å
267H95Very high88Confident35 Ų3555.4 Ų55.416%0.16230%0.304CS..EExtended strand (participates in β ladder)trans-124.2155.9-175-64.8-50.9000113.5F236 F279 F287 I289 V291F236-H267 HydrophobicContact CE1-CB 4.31Å; F236-H267 HydrophobicContact CZ-CB 4.46Å; H267-F279 HydrophobicContact CB-CE1 4.34Å; H267-F279 HydrophobicContact CB-CZ 3.78Å; H267-F279 AromaticContact CD2-CE1 3.63Å; H267-F279 AromaticContact CD2-CZ 3.93Å; H267-F279 AromaticContact CG-CE1 3.99Å; H267-F279 AromaticContact CG-CZ 3.81Å; H267-F287 VanDerWaalsContact CD2-CB 3.42Å; H267-F287 WeakPolarHBondContact CD2-CB 3.38Å; H267-I289 PolarHBondContact N-O 3.4Å; H267-V291 PolarHBondContact O-N 3.35Å
268M93.4Very high87.5Confident16 Ų1656.3 Ų56.38%0.07931%0.308CS..EExtended strand (participates in β ladder)trans-131136.5173.7-169.9-165.9-165.500110R245 A248 H252 H270 V291R245-M268 HydrophobicContact CG-CE 3.79Å; R245-M268 WeakPolarHBondContact O-CE 3.39Å; A248-M268 VanDerWaalsContact C-CE 3.43Å; A248-M268 HydrophobicContact CB-CE 3.32Å; H252-M268 HydrophobicContact CB-CB 4.45Å; M268-H270 PolarHBondContact O-N 3.3Å; M268-V291 WeakPolarHBondContact CA-O 3.36Å
269I89.2Confident87.2Confident9 Ų956.6 Ų56.65%0.04631%0.309CS..  trans-85.5106.4178.5-62.5156.4000110.6A275 F279 L290 R296 L300 I308I269-A275 HydrophobicContact CG1-CB 4.09Å; I269-A275 HydrophobicContact CG2-CB 3.79Å; I269-F279 HydrophobicContact CG1-CE2 4.4Å; I269-L290 HydrophobicContact CD1-CD1 3.9Å; I269-L290 HydrophobicContact CD1-CD2 4.01Å; I269-L290 HydrophobicContact CD1-CG 4.49Å; I269-L290 HydrophobicContact CG1-CD1 3.91Å; I269-R296 HydrophobicContact CB-CG 3.93Å; I269-R296 HydrophobicContact CD1-CG 4.5Å; I269-R296 HydrophobicContact CG2-CG 3.32Å; I269-L300 HydrophobicContact CD1-CD1 3.51Å; I269-L300 HydrophobicContact CG1-CD1 4.25Å; I269-L300 HydrophobicContact CG2-CD1 4.36Å; I269-I308 HydrophobicContact CD1-CD1 4.39Å
270H81.5Confident86.5Confident109 Ų10956.7 Ų56.751%0.50531%0.311SS..SBendtrans-85.9-47.3172.8-60.6-75.3000112.8M268M268-H270 PolarHBondContact O-N 3.3Å
271K80.9Confident85.7Confident139 Ų13955 Ų5560%0.60431%0.311SS*.  trans-132.1126.8-178.9-66.7-176.4-179.9179.40109.6A273 I274 A275K271-A273 PolarHBondContact O-N 3.19Å; K271-I274 HydrophobicContact CB-CB 4.42Å; K271-I274 HydrophobicContact CB-CD1 4.11Å; K271-I274 HydrophobicContact CB-CG1 4.18Å; K271-I274 HydrophobicContact CD-CD1 3.86Å; K271-I274 HydrophobicContact CG-CD1 4.47Å; K271-I274 PolarHBondContact O-N 3.16Å; K271-A275 PolarHBondContact O-N 3.09Å; K271-A275 VanDerWaalsContact O-N 3.07Å
272A75.8Confident85Confident5 Ų562 Ų624%0.04132%0.324CS..Hα-helixtrans-60.7-43.2-177.200000113.2I274 A275 A276 R296 Y299 L300A272-I274 VanDerWaalsContact C-N 3.29Å; A272-I274 PolarHBondContact O-N 3.23Å; A272-A275 WeakPolarHBondContact O-CB 3.42Å; A272-A275 PolarHBondContact O-N 3.29Å; A272-A275 VanDerWaalsContact O-N 3.09Å; A272-A276 PolarHBondContact O-N 2.8Å; A272-R296 VanDerWaalsContact CB-NH1 3.3Å; A272-R296 VanDerWaalsContact N-NH1 3.12Å; A272-Y299 HydrophobicContact CB-CD1 3.51Å; A272-Y299 HydrophobicContact CB-CE1 3.48Å; A272-Y299 VanDerWaalsContact CB-CE1 3.48Å; A272-L300 HydrophobicContact CB-CD2 4.06Å
273A76.3Confident84.5Confident74 Ų7461.8 Ų61.861%0.61232%0.323SS*.Hα-helixtrans-60.8-36.8-179.100000113.2K271K271-A273 PolarHBondContact O-N 3.19Å
274I81.5Confident83.9Confident105 Ų10563.1 Ų63.154%0.53832%0.324SS..Hα-helixtrans-72.4-40.5175.6-59.1179.5000110K271 A272 K277 K278K271-I274 HydrophobicContact CB-CB 4.42Å; K271-I274 HydrophobicContact CB-CD1 4.11Å; K271-I274 HydrophobicContact CB-CG1 4.18Å; K271-I274 HydrophobicContact CD-CD1 3.86Å; K271-I274 HydrophobicContact CG-CD1 4.47Å; K271-I274 PolarHBondContact O-N 3.16Å; A272-I274 VanDerWaalsContact C-N 3.29Å; A272-I274 PolarHBondContact O-N 3.23Å; I274-K277 PolarHBondContact O-N 2.9Å; I274-K278 WeakPolarHBondContact O-CB 3.37Å; I274-K278 PolarHBondContact O-N 2.86Å
275A76.6Confident83.4Confident4 Ų465.7 Ų65.73%0.03334%0.336CS..Hα-helixtrans-62.8-43.1178.800000112.4I269 K271 A272 K277 K278 F279 L300I269-A275 HydrophobicContact CG1-CB 4.09Å; I269-A275 HydrophobicContact CG2-CB 3.79Å; K271-A275 PolarHBondContact O-N 3.09Å; K271-A275 VanDerWaalsContact O-N 3.07Å; A272-A275 WeakPolarHBondContact O-CB 3.42Å; A272-A275 PolarHBondContact O-N 3.29Å; A272-A275 VanDerWaalsContact O-N 3.09Å; A275-K277 VanDerWaalsContact C-N 3.31Å; A275-K277 PolarHBondContact O-N 3.03Å; A275-K278 CarbonylContact O-C 3.47Å; A275-K278 PolarHBondContact O-N 2.79Å; A275-F279 HydrophobicContact CB-CD2 3.89Å; A275-F279 HydrophobicContact CB-CE2 4.1Å; A275-F279 WeakPolarHBondContact O-CB 3.45Å; A275-F279 WeakPolarHBondContact O-CD2 3.26Å; A275-F279 PolarHBondContact O-N 2.92Å; A275-L300 HydrophobicContact CB-CD1 3.88Å; A275-L300 HydrophobicContact CB-CD2 4.31Å
276A75.4Confident83.1Confident25 Ų2568.7 Ų68.721%0.20735%0.35CS..Hα-helixtrans-59.8-40.1177.200000112.2A272 G280 L300A272-A276 PolarHBondContact O-N 2.8Å; A276-G280 VanDerWaalsContact O-CA 3.28Å; A276-G280 WeakPolarHBondContact O-CA 3.38Å; A276-G280 PolarHBondContact O-N 3.23Å; A276-L300 HydrophobicContact CB-CD2 4.08Å
277K80.9Confident83Confident191 Ų19168.4 Ų68.483%0.8335%0.348SS*.Hα-helixtrans-67.3-35.7173.7-68-175.7179.5-172.90112.6I274 A275I274-K277 PolarHBondContact O-N 2.9Å; A275-K277 VanDerWaalsContact C-N 3.31Å; A275-K277 PolarHBondContact O-N 3.03Å
278K84.3Confident83Confident103 Ų10366.7 Ų66.745%0.44834%0.341SS..Hα-helixtrans-82.9-33.6-174.8-170.2175.3177177.70113.7I274 A275 S283I274-K278 WeakPolarHBondContact O-CB 3.37Å; I274-K278 PolarHBondContact O-N 2.86Å; A275-K278 CarbonylContact O-C 3.47Å; A275-K278 PolarHBondContact O-N 2.79Å; K278-S283 WeakPolarHBondContact O-CB 3.45Å; K278-S283 PolarHBondContact O-OG 2.9Å
279F87.9Confident83.2Confident7 Ų766 Ų663%0.03134%0.337CS..Hα-helixtrans-121.7-3.7-170.6-51.5-53.4000113.9F236 H267 I269 A275 F287 G307 I308F236-F279 HydrophobicContact CE2-CB 4.19Å; F236-F279 AromaticContact CE2-CD1 3.9Å; F236-F279 HydrophobicContact CE2-CD1 3.9Å; F236-F279 HydrophobicContact CE2-CD2 4.36Å; F236-F279 HydrophobicContact CE2-CE1 4.36Å; F236-F279 AromaticContact CE2-CG 3.9Å; F236-F279 HydrophobicContact CE2-CG 3.9Å; F236-F279 AromaticContact CZ-CD1 3.69Å; F236-F279 HydrophobicContact CZ-CD1 3.69Å; F236-F279 HydrophobicContact CZ-CD2 4.32Å; F236-F279 AromaticContact CZ-CE1 3.68Å; F236-F279 HydrophobicContact CZ-CE1 3.68Å; F236-F279 HydrophobicContact CZ-CE2 4.31Å; F236-F279 HydrophobicContact CZ-CG 4.02Å; F236-F279 HydrophobicContact CZ-CZ 4.01Å; H267-F279 HydrophobicContact CB-CE1 4.34Å; H267-F279 HydrophobicContact CB-CZ 3.78Å; H267-F279 AromaticContact CD2-CE1 3.63Å; H267-F279 AromaticContact CD2-CZ 3.93Å; H267-F279 AromaticContact CG-CE1 3.99Å; H267-F279 AromaticContact CG-CZ 3.81Å; I269-F279 HydrophobicContact CG1-CE2 4.4Å; A275-F279 HydrophobicContact CB-CD2 3.89Å; A275-F279 HydrophobicContact CB-CE2 4.1Å; A275-F279 WeakPolarHBondContact O-CB 3.45Å; A275-F279 WeakPolarHBondContact O-CD2 3.26Å; A275-F279 PolarHBondContact O-N 2.92Å; F279-F287 HydrophobicContact CB-CZ 4.37Å; F279-F287 AromaticContact CD1-CD1 3.7Å; F279-F287 HydrophobicContact CD1-CD1 3.7Å; F279-F287 AromaticContact CD1-CE1 3.78Å; F279-F287 HydrophobicContact CD1-CE1 3.78Å; F279-F287 HydrophobicContact CD1-CG 4.09Å; F279-F287 HydrophobicContact CD1-CZ 4.24Å; F279-F287 HydrophobicContact CE1-CB 4.46Å; F279-F287 HydrophobicContact CE1-CD1 4.13Å; F279-F287 HydrophobicContact CE1-CG 4.32Å; F279-G307 CarbonylContact C-O 3.56Å; F279-I308 HydrophobicContact CB-CG1 4.32Å
280G80Confident83.6Confident8 Ų865.5 Ų65.58%0.08234%0.335CS..SBendtrans-64.3179.6176.500000113A276 K282 S283 G307A276-G280 VanDerWaalsContact O-CA 3.28Å; A276-G280 WeakPolarHBondContact O-CA 3.38Å; A276-G280 PolarHBondContact O-N 3.23Å; G280-K282 PolarHBondContact O-N 3.48Å; G280-S283 WeakPolarHBondContact O-CB 3.33Å; G280-S283 PolarHBondContact O-N 2.88Å; G280-G307 PolarHBondContact N-O 2.77Å
281P77.2Confident84.4Confident88 Ų8860.3 Ų60.357%0.57131%0.311SS*.THydrogen-bonded Turntrans-60.8-24.3-169.522-34.1000114.3S283 P305 P306P281-S283 VanDerWaalsContact C-N 3.28Å; P281-S283 PolarHBondContact O-N 2.99Å; P281-P305 HydrophobicContact CG-CB 4.13Å; P281-P305 HydrophobicContact CG-CG 3.88Å; P281-P306 WeakPolarHBondContact CD-O 3.07Å
282K78.3Confident85Confident212 Ų21253.8 Ų53.892%0.92228%0.283SS*.THydrogen-bonded Turntrans-83.41.3176.7-61.7-174179-176.50113.8G280G280-K282 PolarHBondContact O-N 3.48Å
283S82Confident85.8Confident26 Ų2655 Ų5518%0.18229%0.289CS..SBendtrans-75.5150.9-179-172.80000112.1K278 G280 P281 K285 F287K278-S283 WeakPolarHBondContact O-CB 3.45Å; K278-S283 PolarHBondContact O-OG 2.9Å; G280-S283 WeakPolarHBondContact O-CB 3.33Å; G280-S283 PolarHBondContact O-N 2.88Å; P281-S283 VanDerWaalsContact C-N 3.28Å; P281-S283 PolarHBondContact O-N 2.99Å; S283-K285 PolarHBondContact O-N 2.79Å; S283-F287 WeakPolarHBondContact OG-CE1 3.4Å
284S79.1Confident86.5Confident78 Ų7851.8 Ų51.855%0.54526%0.262SS..  trans-68.66.6176.458.70000114.7K286S284-K286 PolarHBondContact O-N 3.4Å; S284-K286 WeakPolarHBondContact OG-CD 3.43Å; S284-K286 WeakPolarHBondContact OG-CG 3.14Å
285K85.5Confident86.8Confident76 Ų7652.1 Ų52.133%0.3327%0.265SS..  trans51.324.7-176.2-60.5-160.6-174.9-159.60113.9N233 G235 S283 F287 D309N233-K285 CarbonylContact C-O 3.58Å; N233-K285 WeakPolarHBondContact CA-O 3.5Å; N233-K285 WeakPolarHBondContact O-CB 3.44Å; G235-K285 PolarHBondContact N-O 3Å; S283-K285 PolarHBondContact O-N 2.79Å; K285-F287 VanDerWaalsContact CA-CE1 3.48Å; K285-F287 PolarHBondContact O-N 3.32Å; K285-D309 IonicContact NZ-OD2 3.75Å; K285-D309 PolarHBondContact NZ-OD2 2.99Å
286K89.1Confident87.4Confident120 Ų12056.1 Ų56.152%0.52228%0.279SS..  trans-81.859.4180-71.4-175.3-177.8-1780111.7R265 S284R265-K286 WeakPolarHBondContact CD-O 3.28Å; S284-K286 PolarHBondContact O-N 3.4Å; S284-K286 WeakPolarHBondContact OG-CD 3.43Å; S284-K286 WeakPolarHBondContact OG-CG 3.14Å
287F93.3Very high88.2Confident6 Ų654.9 Ų54.93%0.02627%0.269CS..  trans-153.7152.3179.741.2-94.6000109.8G235 F236 H267 F279 S283 K285G235-F287 CarbonylContact C-O 3.46Å; G235-F287 VanDerWaalsContact CA-CD2 3.47Å; G235-F287 WeakPolarHBondContact CA-O 3.49Å; F236-F287 HydrophobicContact CB-CD2 4.33Å; F236-F287 HydrophobicContact CD1-CB 4.26Å; F236-F287 AromaticContact CD1-CD2 3.58Å; F236-F287 HydrophobicContact CD1-CD2 3.58Å; F236-F287 HydrophobicContact CD1-CE2 4.39Å; F236-F287 HydrophobicContact CD1-CG 4.34Å; F236-F287 AromaticContact CD2-CD2 3.45Å; F236-F287 HydrophobicContact CD2-CD2 3.45Å; F236-F287 VanDerWaalsContact CD2-CD2 3.45Å; F236-F287 AromaticContact CD2-CE2 3.42Å; F236-F287 HydrophobicContact CD2-CE2 3.42Å; F236-F287 VanDerWaalsContact CD2-CE2 3.42Å; F236-F287 HydrophobicContact CE1-CB 3.77Å; F236-F287 AromaticContact CE1-CD2 3.61Å; F236-F287 HydrophobicContact CE1-CD2 3.61Å; F236-F287 HydrophobicContact CE1-CE2 4.5Å; F236-F287 AromaticContact CE1-CG 3.99Å; F236-F287 HydrophobicContact CE1-CG 3.99Å; F236-F287 AromaticContact CE2-CD2 3.45Å; F236-F287 HydrophobicContact CE2-CD2 3.45Å; F236-F287 VanDerWaalsContact CE2-CD2 3.45Å; F236-F287 AromaticContact CE2-CE2 3.53Å; F236-F287 HydrophobicContact CE2-CE2 3.53Å; F236-F287 HydrophobicContact CE2-CG 4.2Å; F236-F287 HydrophobicContact CE2-CZ 4.34Å; F236-F287 AromaticContact CG-CD2 3.51Å; F236-F287 HydrophobicContact CG-CD2 3.51Å; F236-F287 AromaticContact CG-CE2 3.88Å; F236-F287 HydrophobicContact CG-CE2 3.88Å; F236-F287 HydrophobicContact CZ-CB 4.09Å; F236-F287 AromaticContact CZ-CD2 3.55Å; F236-F287 HydrophobicContact CZ-CD2 3.55Å; F236-F287 HydrophobicContact CZ-CE2 4.11Å; F236-F287 AromaticContact CZ-CG 3.91Å; F236-F287 HydrophobicContact CZ-CG 3.91Å; F236-F287 VanDerWaalsContact N-CD2 3.32Å; H267-F287 VanDerWaalsContact CD2-CB 3.42Å; H267-F287 WeakPolarHBondContact CD2-CB 3.38Å; F279-F287 HydrophobicContact CB-CZ 4.37Å; F279-F287 AromaticContact CD1-CD1 3.7Å; F279-F287 HydrophobicContact CD1-CD1 3.7Å; F279-F287 AromaticContact CD1-CE1 3.78Å; F279-F287 HydrophobicContact CD1-CE1 3.78Å; F279-F287 HydrophobicContact CD1-CG 4.09Å; F279-F287 HydrophobicContact CD1-CZ 4.24Å; F279-F287 HydrophobicContact CE1-CB 4.46Å; F279-F287 HydrophobicContact CE1-CD1 4.13Å; F279-F287 HydrophobicContact CE1-CG 4.32Å; S283-F287 WeakPolarHBondContact OG-CE1 3.4Å; K285-F287 VanDerWaalsContact CA-CE1 3.48Å; K285-F287 PolarHBondContact O-N 3.32Å
288D95.6Very high88.7Confident0 Ų046.5 Ų46.50%023%0.233CC..  trans-126.7-45-171.3-66.5-84.4000113.1P231 T232 R237 A238 F264 R265P231-D288 WeakPolarHBondContact CA-OD1 3.03Å; T232-D288 PolarHBondContact N-OD1 3.11Å; R237-D288 IonicContact CZ-OD1 2.8Å; R237-D288 PolarHBondContact N-O 3.27Å; R237-D288 IonicContact NE-OD1 3.11Å; R237-D288 IonicContact NH2-OD1 3.86Å; R237-D288 PolarHBondContact NH2-OD1 3.33Å; A238-D288 PolarHBondContact N-O 3.11Å; F264-D288 HydrophobicContact CD1-CB 4Å; R265-D288 IonicContact CZ-OD2 2.68Å; R265-D288 PolarHBondContact N-OD2 3.38Å; R265-D288 IonicContact NE-OD2 3.69Å; R265-D288 PolarHBondContact NE-OD2 3.12Å; R265-D288 IonicContact NH2-OD1 3.67Å; R265-D288 IonicContact NH2-OD2 2.77Å; R265-D288 PolarHBondContact NH2-OD2 3.31Å; R265-D288 PolarHBondContact O-N 3.13Å
289I97.3Very high89.1Confident0 Ų048 Ų480%024%0.237CC..EExtended strand (participates in β ladder)trans-128.6132.7-174.2-52.9-175.5000109.9I224 L225 L228 A238 L255 R265 I266 H267I224-I289 HydrophobicContact CG2-CD1 4.01Å; L225-I289 HydrophobicContact CD2-CD1 3.78Å; L228-I289 HydrophobicContact CD1-CD1 4.03Å; L228-I289 HydrophobicContact CD1-CG1 3.9Å; A238-I289 HydrophobicContact CB-CG1 4.19Å; A238-I289 HydrophobicContact CB-CG2 4.17Å; A238-I289 WeakPolarHBondContact O-CA 3.49Å; L255-I289 HydrophobicContact CD1-CG2 4.26Å; R265-I289 PolarHBondContact O-N 2.88Å; I266-I289 WeakPolarHBondContact CA-O 3.49Å; I266-I289 HydrophobicContact CB-CB 4.42Å; I266-I289 HydrophobicContact CG1-CB 4.09Å; I266-I289 HydrophobicContact CG1-CD1 4.19Å; I266-I289 HydrophobicContact CG1-CG1 4.39Å; I266-I289 HydrophobicContact CG2-CB 4.14Å; I266-I289 HydrophobicContact CG2-CG2 4.2Å; H267-I289 PolarHBondContact N-O 3.4Å
290L97.2Very high89.2Confident0 Ų047.6 Ų47.60%024%0.235CC..EExtended strand (participates in β ladder)trans-112.6128.9174.1-178.660000111.1F236 A238 L239 V240 I269 T292 L297 I308F236-L290 HydrophobicContact CD1-CB 3.57Å; F236-L290 HydrophobicContact CD2-CB 4.36Å; F236-L290 HydrophobicContact CD2-CD2 4.38Å; F236-L290 HydrophobicContact CE1-CB 3.61Å; F236-L290 HydrophobicContact CE1-CD1 4.24Å; F236-L290 HydrophobicContact CE1-CG 4.42Å; F236-L290 HydrophobicContact CE2-CB 4.41Å; F236-L290 HydrophobicContact CE2-CD2 4.24Å; F236-L290 HydrophobicContact CG-CB 3.96Å; F236-L290 HydrophobicContact CZ-CB 4.04Å; F236-L290 HydrophobicContact CZ-CD1 4.03Å; F236-L290 HydrophobicContact CZ-CD2 4.44Å; F236-L290 HydrophobicContact CZ-CG 4.41Å; A238-L290 PolarHBondContact O-N 3.15Å; L239-L290 CarbonylContact C-O 3.33Å; L239-L290 WeakPolarHBondContact CA-O 3.28Å; L239-L290 HydrophobicContact CD1-CB 3.99Å; L239-L290 HydrophobicContact CD1-CD2 3.82Å; L239-L290 HydrophobicContact CD1-CG 3.93Å; V240-L290 PolarHBondContact N-O 2.84Å; I269-L290 HydrophobicContact CD1-CD1 3.9Å; I269-L290 HydrophobicContact CD1-CD2 4.01Å; I269-L290 HydrophobicContact CD1-CG 4.49Å; I269-L290 HydrophobicContact CG1-CD1 3.91Å; L290-T292 HydrophobicContact CD2-CG2 4.11Å; L290-T292 HydrophobicContact CG-CG2 4.14Å; L290-L297 HydrophobicContact CD2-CD1 4.12Å; L290-I308 HydrophobicContact CD2-CD1 3.38Å
291V97.2Very high89.8Confident0 Ų048.8 Ų48.80%024%0.24CC..EExtended strand (participates in β ladder)trans-113.6122.6167.8-169.60000108.8V240 A248 I251 H252 L255 I266 H267 M268V240-V291 HydrophobicContact CB-CG1 4.3Å; V240-V291 HydrophobicContact CB-CG2 4.3Å; V240-V291 WeakPolarHBondContact O-CA 3.42Å; A248-V291 HydrophobicContact CB-CG1 4.02Å; A248-V291 VanDerWaalsContact O-CG1 3.27Å; A248-V291 WeakPolarHBondContact O-CG1 3.42Å; I251-V291 HydrophobicContact CB-CG1 4Å; I251-V291 HydrophobicContact CG2-CG1 3.89Å; I251-V291 HydrophobicContact CG2-CG2 4.18Å; H252-V291 HydrophobicContact CB-CB 4.35Å; H252-V291 HydrophobicContact CB-CG2 4.39Å; L255-V291 HydrophobicContact CD1-CG2 3.63Å; I266-V291 HydrophobicContact CG2-CG2 4.38Å; H267-V291 PolarHBondContact O-N 3.35Å; M268-V291 WeakPolarHBondContact CA-O 3.36Å
292T95.3Very high90.4Very high2 Ų252.1 Ų52.11%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-154.5179.7-172.8-1660000113.5L239 V240 I241 S242 L290 L297L239-T292 HydrophobicContact CD1-CG2 3.9Å; V240-T292 PolarHBondContact O-N 3.37Å; I241-T292 WeakPolarHBondContact CA-O 3.25Å; S242-T292 PolarHBondContact N-O 2.96Å; S242-T292 PolarHBondContact OG-O 3.42Å; L290-T292 HydrophobicContact CD2-CG2 4.11Å; L290-T292 HydrophobicContact CG-CG2 4.14Å; T292-L297 HydrophobicContact CG2-CB 3.94Å; T292-L297 HydrophobicContact CG2-CD1 4.39Å; T292-L297 HydrophobicContact CG2-CD2 4.14Å; T292-L297 HydrophobicContact CG2-CG 4.4Å
293T91.4Very high90.9Very high29 Ų2944.4 Ų44.418%0.17821%0.212CC..  trans-107.3150.8173.956.40000110.4S242 N295 R296 L297S242-T293 WeakPolarHBondContact O-CA 3.39Å; T293-N295 PolarHBondContact O-N 3.12Å; T293-R296 PolarHBondContact O-N 3.15Å; T293-R296 WeakPolarHBondContact OG1-CB 3.28Å; T293-L297 PolarHBondContact O-N 2.74Å; T293-L297 VanDerWaalsContact O-N 3.17Å
294P91Very high91.1Very high7 Ų752.2 Ų52.25%0.04525%0.246CC..Hα-helixtrans-56.9-54.5-172.8-23.129.3000113.9I241 S242 R296 L297 I298 L324 F332 Q335I241-P294 HydrophobicContact CG2-CB 4.47Å; I241-P294 HydrophobicContact CG2-CG 3.62Å; S242-P294 WeakPolarHBondContact O-CD 3.49Å; P294-R296 VanDerWaalsContact C-N 3.25Å; P294-R296 PolarHBondContact O-N 3.5Å; P294-L297 WeakPolarHBondContact O-CB 3.42Å; P294-L297 PolarHBondContact O-N 2.73Å; P294-L297 VanDerWaalsContact O-N 3.07Å; P294-I298 WeakPolarHBondContact O-CG1 3.38Å; P294-I298 PolarHBondContact O-N 3.32Å; P294-L324 HydrophobicContact CG-CD2 3.64Å; P294-F332 HydrophobicContact CB-CD2 3.75Å; P294-F332 HydrophobicContact CB-CE2 3.7Å; P294-F332 HydrophobicContact CG-CD2 3.63Å; P294-F332 HydrophobicContact CG-CE2 3.4Å; P294-F332 HydrophobicContact CG-CZ 4.49Å; P294-Q335 VanDerWaalsContact CB-OE1 3.25Å
295N88.6Confident91.5Very high112 Ų11252.8 Ų52.860%0.59925%0.248SC*.Hα-helixtrans-56.6-40.2-177.2-72.9-16.5000112.4T293 Y299 Q335T293-N295 PolarHBondContact O-N 3.12Å; N295-Y299 WeakPolarHBondContact O-CB 3.42Å; N295-Y299 PolarHBondContact O-N 3.5Å; N295-Q335 PolarHBondContact OD1-NE2 3.45Å; N295-Q335 PolarHBondContact OD1-OE1 3.42Å
296R88.6Confident91.6Very high88 Ų8852.4 Ų52.433%0.33225%0.253SS..Hα-helixtrans-69-38.9-179.4-177.166.471.5172.24.6111.6I269 A272 T293 P294 L300I269-R296 HydrophobicContact CB-CG 3.93Å; I269-R296 HydrophobicContact CD1-CG 4.5Å; I269-R296 HydrophobicContact CG2-CG 3.32Å; A272-R296 VanDerWaalsContact CB-NH1 3.3Å; A272-R296 VanDerWaalsContact N-NH1 3.12Å; T293-R296 PolarHBondContact O-N 3.15Å; T293-R296 WeakPolarHBondContact OG1-CB 3.28Å; P294-R296 VanDerWaalsContact C-N 3.25Å; P294-R296 PolarHBondContact O-N 3.5Å; R296-L300 PolarHBondContact O-N 3.26Å
297L93Very high91.5Very high0 Ų046.9 Ų46.90%023%0.23CC..Hα-helixtrans-67.7-48.7177.8-177.860.6000111.2L239 I241 L290 T292 T293 P294 Y299 L300 L301 I308 L310 I339L239-L297 HydrophobicContact CD1-CD2 4.12Å; L239-L297 HydrophobicContact CD2-CD2 3.59Å; L239-L297 HydrophobicContact CG-CD2 4.43Å; I241-L297 HydrophobicContact CD1-CD2 4.2Å; L290-L297 HydrophobicContact CD2-CD1 4.12Å; T292-L297 HydrophobicContact CG2-CB 3.94Å; T292-L297 HydrophobicContact CG2-CD1 4.39Å; T292-L297 HydrophobicContact CG2-CD2 4.14Å; T292-L297 HydrophobicContact CG2-CG 4.4Å; T293-L297 PolarHBondContact O-N 2.74Å; T293-L297 VanDerWaalsContact O-N 3.17Å; P294-L297 WeakPolarHBondContact O-CB 3.42Å; P294-L297 PolarHBondContact O-N 2.73Å; P294-L297 VanDerWaalsContact O-N 3.07Å; L297-Y299 VanDerWaalsContact C-N 3.29Å; L297-Y299 PolarHBondContact O-N 3.37Å; L297-L300 WeakPolarHBondContact O-CB 3.45Å; L297-L300 PolarHBondContact O-N 2.67Å; L297-L301 HydrophobicContact CD1-CD1 4.46Å; L297-L301 HydrophobicContact CG-CD1 4.01Å; L297-L301 HydrophobicContact CG-CG 4.49Å; L297-L301 PolarHBondContact O-N 2.99Å; L297-I308 HydrophobicContact CD1-CD1 3.98Å; L297-I308 HydrophobicContact CD1-CG2 4.09Å; L297-L310 HydrophobicContact CD1-CD1 4.22Å; L297-L310 HydrophobicContact CD2-CD1 4.31Å; L297-I339 HydrophobicContact CD2-CD1 4.05Å; L297-I339 HydrophobicContact CD2-CG1 3.87Å; L297-I339 HydrophobicContact CD2-CG2 4.27Å; L297-I339 HydrophobicContact CG-CG1 4.5Å
298I91.6Very high91.5Very high14 Ų1446.8 Ų46.87%0.07223%0.23CC..Hα-helixtrans-57.9-42.7177.1-68.1-64.8000111.6P294 L300 L301 K302 Q335 I339P294-I298 WeakPolarHBondContact O-CG1 3.38Å; P294-I298 PolarHBondContact O-N 3.32Å; I298-L300 PolarHBondContact O-N 2.62Å; I298-L301 HydrophobicContact CD1-CD1 4.44Å; I298-L301 PolarHBondContact O-N 2.57Å; I298-K302 HydrophobicContact CG2-CD 3.81Å; I298-K302 HydrophobicContact CG2-CG 4.18Å; I298-K302 WeakPolarHBondContact O-CB 2.98Å; I298-K302 WeakPolarHBondContact O-CG 3.26Å; I298-K302 PolarHBondContact O-N 3.36Å; I298-Q335 HydrophobicContact CD1-CB 4.22Å; I298-Q335 WeakPolarHBondContact CD1-O 3.46Å; I298-Q335 HydrophobicContact CG1-CB 3.93Å; I298-Q335 HydrophobicContact CG1-CG 4.1Å; I298-I339 HydrophobicContact CD1-CD1 4.18Å; I298-I339 HydrophobicContact CD1-CG1 3.78Å; I298-I339 HydrophobicContact CG1-CD1 4.41Å; I298-I339 HydrophobicContact CG1-CG1 4.46Å
299Y91.2Very high91.3Very high134 Ų13448.8 Ų48.853%0.52524%0.24SC..Hα-helixtrans-56.2-40.1175.7176.2-89.3000112.3A272 N295 L297 Q303A272-Y299 HydrophobicContact CB-CD1 3.51Å; A272-Y299 HydrophobicContact CB-CE1 3.48Å; A272-Y299 VanDerWaalsContact CB-CE1 3.48Å; N295-Y299 WeakPolarHBondContact O-CB 3.42Å; N295-Y299 PolarHBondContact O-N 3.5Å; L297-Y299 VanDerWaalsContact C-N 3.29Å; L297-Y299 PolarHBondContact O-N 3.37Å; Y299-Q303 VanDerWaalsContact CE1-NE2 3.28Å; Y299-Q303 WeakPolarHBondContact O-CG 3.42Å
300L91.5Very high91.2Very high0 Ų048.9 Ų48.90%024%0.241CC..Hα-helixtrans-73.9-39.2177.9-68.6172000112.4I269 A272 A275 A276 R296 L297 I298 K302 Q303 G307 I308I269-L300 HydrophobicContact CD1-CD1 3.51Å; I269-L300 HydrophobicContact CG1-CD1 4.25Å; I269-L300 HydrophobicContact CG2-CD1 4.36Å; A272-L300 HydrophobicContact CB-CD2 4.06Å; A275-L300 HydrophobicContact CB-CD1 3.88Å; A275-L300 HydrophobicContact CB-CD2 4.31Å; A276-L300 HydrophobicContact CB-CD2 4.08Å; R296-L300 PolarHBondContact O-N 3.26Å; L297-L300 WeakPolarHBondContact O-CB 3.45Å; L297-L300 PolarHBondContact O-N 2.67Å; I298-L300 PolarHBondContact O-N 2.62Å; L300-K302 VanDerWaalsContact C-N 3.3Å; L300-K302 PolarHBondContact O-N 3.29Å; L300-Q303 PolarHBondContact O-N 3.45Å; L300-G307 PolarHBondContact O-N 3.39Å; L300-I308 HydrophobicContact CB-CB 4.27Å; L300-I308 HydrophobicContact CB-CG2 3.78Å
301L91.9Very high91Very high33 Ų3351.9 Ų51.917%0.17326%0.26CS..Hα-helixtrans-65.2-33.1178.1-72.7171.3000112.6L297 I298 Q303 I308 L310 I339 A342L297-L301 HydrophobicContact CD1-CD1 4.46Å; L297-L301 HydrophobicContact CG-CD1 4.01Å; L297-L301 HydrophobicContact CG-CG 4.49Å; L297-L301 PolarHBondContact O-N 2.99Å; I298-L301 HydrophobicContact CD1-CD1 4.44Å; I298-L301 PolarHBondContact O-N 2.57Å; L301-Q303 VanDerWaalsContact C-N 3.29Å; L301-Q303 PolarHBondContact O-N 3.07Å; L301-I308 HydrophobicContact CD2-CG2 3.61Å; L301-I308 HydrophobicContact CG-CG2 3.88Å; L301-L310 HydrophobicContact CD1-CD1 3.99Å; L301-L310 HydrophobicContact CD2-CD1 3.93Å; L301-L310 HydrophobicContact CD2-CG 4.17Å; L301-L310 HydrophobicContact CG-CD1 4.43Å; L301-I339 HydrophobicContact CD1-CG1 4.34Å; L301-A342 HydrophobicContact CD1-CB 4.01Å; L301-A342 HydrophobicContact CD2-CB 3.89Å
302K90.4Very high90.9Very high157 Ų15753.4 Ų53.468%0.68327%0.27SS*.THydrogen-bonded Turntrans-80.6-0.7179-71.8-174.8174.3-171.40114.5I298 L300I298-K302 HydrophobicContact CG2-CD 3.81Å; I298-K302 HydrophobicContact CG2-CG 4.18Å; I298-K302 WeakPolarHBondContact O-CB 2.98Å; I298-K302 WeakPolarHBondContact O-CG 3.26Å; I298-K302 PolarHBondContact O-N 3.36Å; L300-K302 VanDerWaalsContact C-N 3.3Å; L300-K302 PolarHBondContact O-N 3.29Å
303Q88.4Confident90.9Very high50 Ų5053.3 Ų53.323%0.23427%0.269CS..SBendtrans-73.8155.4175.1-60.9-171.2-33.400110.6Y299 L300 L301 P305 P306Y299-Q303 VanDerWaalsContact CE1-NE2 3.28Å; Y299-Q303 WeakPolarHBondContact O-CG 3.42Å; L300-Q303 PolarHBondContact O-N 3.45Å; L301-Q303 VanDerWaalsContact C-N 3.29Å; L301-Q303 PolarHBondContact O-N 3.07Å; Q303-P305 VanDerWaalsContact C-C 3.42Å; Q303-P305 CarbonylContact C-O 3.58Å; Q303-P305 VanDerWaalsContact C-O 3.27Å; Q303-P305 WeakPolarHBondContact CB-O 3.28Å; Q303-P305 CarbonylContact O-C 3.48Å; Q303-P306 VanDerWaalsContact O-CA 3.26Å; Q303-P306 WeakPolarHBondContact O-CA 3.35Å
304E86Confident91.2Very high191 Ų19153.9 Ų53.989%0.89327%0.27SS*.SBendtrans-118.8108.2173.6-68.9-177.2-173.800109.4
305P86.8Confident91.5Very high90 Ų9053.9 Ų53.958%0.58427%0.269SS*.SBendcis-69.6162.6-6.732.3-36.7000112.6P281 Q303 G307P281-P305 HydrophobicContact CG-CB 4.13Å; P281-P305 HydrophobicContact CG-CG 3.88Å; Q303-P305 VanDerWaalsContact C-C 3.42Å; Q303-P305 CarbonylContact C-O 3.58Å; Q303-P305 VanDerWaalsContact C-O 3.27Å; Q303-P305 WeakPolarHBondContact CB-O 3.28Å; Q303-P305 CarbonylContact O-C 3.48Å; P305-G307 PolarHBondContact O-N 3.28Å
306P88.1Confident91.9Very high68 Ų6848.6 Ų48.644%0.44224%0.241SC..  trans-54127.2178.1-28.635.6000111.7P281 Q303 I308P281-P306 WeakPolarHBondContact CD-O 3.07Å; Q303-P306 VanDerWaalsContact O-CA 3.26Å; Q303-P306 WeakPolarHBondContact O-CA 3.35Å; P306-I308 PolarHBondContact O-N 2.94Å; P306-I308 VanDerWaalsContact O-N 3.11Å
307G87.9Confident92.3Very high3 Ų344.4 Ų44.43%0.03123%0.225CC..SBendtrans-71.9-0.9-18000000113.6F279 G280 L300 P305F279-G307 CarbonylContact C-O 3.56Å; G280-G307 PolarHBondContact N-O 2.77Å; L300-G307 PolarHBondContact O-N 3.39Å; P305-G307 PolarHBondContact O-N 3.28Å
308I91.9Very high92.4Very high4 Ų444.5 Ų44.52%0.02123%0.225CC..SBendtrans-153.6140.6179.1-164.2165.4000110.9F236 I269 F279 L290 L297 L300 L301 P306 L310F236-I308 HydrophobicContact CD2-CD1 4.01Å; F236-I308 HydrophobicContact CD2-CG1 4.08Å; F236-I308 HydrophobicContact CE2-CD1 3.72Å; F236-I308 HydrophobicContact CE2-CG1 3.97Å; I269-I308 HydrophobicContact CD1-CD1 4.39Å; F279-I308 HydrophobicContact CB-CG1 4.32Å; L290-I308 HydrophobicContact CD2-CD1 3.38Å; L297-I308 HydrophobicContact CD1-CD1 3.98Å; L297-I308 HydrophobicContact CD1-CG2 4.09Å; L300-I308 HydrophobicContact CB-CB 4.27Å; L300-I308 HydrophobicContact CB-CG2 3.78Å; L301-I308 HydrophobicContact CD2-CG2 3.61Å; L301-I308 HydrophobicContact CG-CG2 3.88Å; P306-I308 PolarHBondContact O-N 2.94Å; P306-I308 VanDerWaalsContact O-N 3.11Å; I308-L310 HydrophobicContact CD1-CD2 4.26Å; I308-L310 HydrophobicContact CG1-CD2 4.23Å
309D92.1Very high92.5Very high42 Ų4244 Ų4423%0.22522%0.223CC..  trans-106.9124.4176.3177.413.3000109.8K285 T311K285-D309 IonicContact NZ-OD2 3.75Å; K285-D309 PolarHBondContact NZ-OD2 2.99Å; D309-T311 WeakPolarHBondContact OD1-CB 3.05Å; D309-T311 WeakPolarHBondContact OD1-CG2 3.41Å; D309-T311 PolarHBondContact OD1-N 3.3Å; D309-T311 PolarHBondContact OD1-OG1 2.71Å; D309-T311 PolarHBondContact OD2-OG1 3.06Å
310L94.6Very high92.5Very high3 Ų338.1 Ų38.12%0.01620%0.201CC..  trans-116.710.2179.9-59.6-177000113.1L239 L297 L301 I308 S312 V313 A342L239-L310 HydrophobicContact CD2-CD1 3.98Å; L239-L310 HydrophobicContact CD2-CD2 4.36Å; L297-L310 HydrophobicContact CD1-CD1 4.22Å; L297-L310 HydrophobicContact CD2-CD1 4.31Å; L301-L310 HydrophobicContact CD1-CD1 3.99Å; L301-L310 HydrophobicContact CD2-CD1 3.93Å; L301-L310 HydrophobicContact CD2-CG 4.17Å; L301-L310 HydrophobicContact CG-CD1 4.43Å; I308-L310 HydrophobicContact CD1-CD2 4.26Å; I308-L310 HydrophobicContact CG1-CD2 4.23Å; L310-S312 PolarHBondContact O-N 3.24Å; L310-V313 HydrophobicContact CB-CG2 3.98Å; L310-V313 HydrophobicContact CD2-CG2 4.07Å; L310-V313 WeakPolarHBondContact O-CB 3.4Å; L310-V313 VanDerWaalsContact O-CG2 3.31Å; L310-V313 WeakPolarHBondContact O-CG2 3.5Å; L310-V313 PolarHBondContact O-N 3.26Å; L310-V313 VanDerWaalsContact O-N 3.16Å; L310-A342 CarbonylContact C-O 3.59Å; L310-A342 HydrophobicContact CB-CB 4.46Å; L310-A342 HydrophobicContact CD1-CB 4.14Å
311T93.5Very high92.4Very high63 Ų6338.1 Ų38.139%0.38720%0.201SC..THydrogen-bonded Turntrans-62.1-28.8-176.954.50000113.3D309 S345D309-T311 WeakPolarHBondContact OD1-CB 3.05Å; D309-T311 WeakPolarHBondContact OD1-CG2 3.41Å; D309-T311 PolarHBondContact OD1-N 3.3Å; D309-T311 PolarHBondContact OD1-OG1 2.71Å; D309-T311 PolarHBondContact OD2-OG1 3.06Å; T311-S345 WeakPolarHBondContact O-CB 3.44Å; T311-S345 PolarHBondContact O-N 3.48Å
312S94.5Very high92.1Very high31 Ų3136.8 Ų36.822%0.21719%0.193CC..THydrogen-bonded Turntrans-87.51.7179.9-62.40000114.5K234 F236 R237 L310 E314K234-S312 WeakPolarHBondContact O-CB 3.45Å; K234-S312 PolarHBondContact O-OG 3.49Å; F236-S312 CarbonylContact O-C 3.57Å; F236-S312 VanDerWaalsContact O-C 3.28Å; R237-S312 WeakPolarHBondContact CA-O 3.49Å; L310-S312 PolarHBondContact O-N 3.24Å; S312-E314 PolarHBondContact O-N 2.96Å
313V96.7Very high91.7Very high0 Ų031.1 Ų31.10%017%0.169CC..  trans-68.6118.7-174.4173.90000111F236 L239 L310 W315 C343 S345F236-V313 HydrophobicContact CB-CG2 4.41Å; F236-V313 WeakPolarHBondContact O-CG2 3.04Å; F236-V313 PolarHBondContact O-N 3.4Å; L239-V313 HydrophobicContact CB-CG1 4.2Å; L239-V313 HydrophobicContact CB-CG2 4.46Å; L310-V313 HydrophobicContact CB-CG2 3.98Å; L310-V313 HydrophobicContact CD2-CG2 4.07Å; L310-V313 WeakPolarHBondContact O-CB 3.4Å; L310-V313 VanDerWaalsContact O-CG2 3.31Å; L310-V313 WeakPolarHBondContact O-CG2 3.5Å; L310-V313 PolarHBondContact O-N 3.26Å; L310-V313 VanDerWaalsContact O-N 3.16Å; V313-W315 VanDerWaalsContact CG1-O 3.26Å; V313-W315 WeakPolarHBondContact CG1-O 3.44Å; V313-C343 HydrophobicContact CB-CB 4.47Å; V313-S345 WeakPolarHBondContact O-CB 3.28Å
314E96.4Very high91.5Very high42 Ų4229.5 Ų29.520%0.19616%0.162CC..  trans-95.3-29.9175.7-58.4177.1-153.800111.3R237 S312 K347 V348 R349R237-E314 PolarHBondContact O-N 3.22Å; S312-E314 PolarHBondContact O-N 2.96Å; E314-K347 HydrophobicContact CG-CB 4.27Å; E314-V348 CarbonylContact O-C 3.56Å; E314-V348 VanDerWaalsContact O-CA 3.3Å; E314-V348 WeakPolarHBondContact O-CA 3.35Å; E314-R349 PolarHBondContact O-N 2.66Å
315W97.5Very high91.4Very high6 Ų620.8 Ų20.82%0.02312%0.121CC..EExtended strand (participates in β ladder)trans-126.9128.2176.6-84.298.3000113.1M200 I224 Q227 R237 A238 L239 V313 R349 A351M200-W315 HydrophobicContact CB-CH2 3.8Å; M200-W315 HydrophobicContact CB-CZ2 4.09Å; M200-W315 HydrophobicContact CE-CD2 4.15Å; M200-W315 HydrophobicContact CE-CE3 3.7Å; M200-W315 HydrophobicContact CE-CH2 3.92Å; M200-W315 HydrophobicContact CE-CZ2 4.34Å; M200-W315 HydrophobicContact CE-CZ3 3.58Å; M200-W315 HydrophobicContact CG-CH2 3.87Å; M200-W315 HydrophobicContact CG-CZ3 4.19Å; M200-W315 VanDerWaalsContact O-CZ2 3.25Å; M200-W315 WeakPolarHBondContact O-CZ2 3.49Å; I224-W315 HydrophobicContact CD1-CB 4.49Å; I224-W315 HydrophobicContact CG1-CB 4.14Å; I224-W315 HydrophobicContact CG1-CG 4.11Å; Q227-W315 VanDerWaalsContact OE1-CZ2 3.3Å; R237-W315 PolarHBondContact O-N 3.42Å; R237-W315 VanDerWaalsContact O-N 3.14Å; A238-W315 CarbonylContact C-O 3.59Å; A238-W315 WeakPolarHBondContact CA-O 3.28Å; A238-W315 HydrophobicContact CB-CB 4.22Å; L239-W315 PolarHBondContact N-O 2.85Å; V313-W315 VanDerWaalsContact CG1-O 3.26Å; V313-W315 WeakPolarHBondContact CG1-O 3.44Å; W315-R349 HydrophobicContact CD2-CB 4.03Å; W315-R349 HydrophobicContact CE3-CB 3.82Å; W315-R349 HydrophobicContact CH2-CB 3.65Å; W315-R349 HydrophobicContact CH2-CG 4.43Å; W315-R349 HydrophobicContact CZ2-CB 3.86Å; W315-R349 HydrophobicContact CZ2-CG 4.35Å; W315-R349 HydrophobicContact CZ3-CB 3.62Å; W315-A351 HydrophobicContact CE3-CB 4.5Å; W315-A351 HydrophobicContact CZ3-CB 4.06Å
316L97.2Very high90.9Very high2 Ų218.3 Ų18.31%0.0110%0.102CC..EExtended strand (participates in β ladder)trans-117.3111.6170.6176.753.6000109.9L239 I241 I339 F340 R349 R350 A351L239-L316 HydrophobicContact CB-CD1 4.02Å; L239-L316 HydrophobicContact CD2-CD1 3.7Å; L239-L316 HydrophobicContact CG-CD1 3.7Å; L239-L316 WeakPolarHBondContact O-CA 3.49Å; I241-L316 HydrophobicContact CD1-CD1 3.86Å; I241-L316 HydrophobicContact CG1-CD1 4.17Å; L316-I339 HydrophobicContact CD1-CG2 4.3Å; L316-I339 HydrophobicContact CD2-CG2 3.97Å; L316-F340 HydrophobicContact CD2-CD1 3.37Å; L316-F340 HydrophobicContact CD2-CE1 3.27Å; L316-F340 HydrophobicContact CD2-CZ 4.43Å; L316-F340 HydrophobicContact CG-CE1 4.25Å; L316-R349 PolarHBondContact N-O 3.33Å; L316-R350 HydrophobicContact CB-CG 4.23Å; L316-R350 HydrophobicContact CD2-CG 4.49Å; L316-R350 WeakPolarHBondContact O-CA 3.37Å; L316-A351 PolarHBondContact O-N 3.09Å
317V97.4Very high89.7Confident0 Ų020.1 Ų20.10%011%0.108CC..EExtended strand (participates in β ladder)trans-109.3134.3178.6-178.30000110.2M200 F220 I224 L239 V240 I241 A351 F353M200-V317 HydrophobicContact CE-CG2 4.46Å; F220-V317 HydrophobicContact CB-CG1 4.21Å; F220-V317 HydrophobicContact CB-CG2 4.28Å; F220-V317 HydrophobicContact CD1-CG1 3.95Å; F220-V317 HydrophobicContact CD2-CG1 4.22Å; F220-V317 HydrophobicContact CE1-CG1 4.3Å; F220-V317 HydrophobicContact CG-CG1 3.9Å; I224-V317 HydrophobicContact CD1-CG2 3.74Å; L239-V317 PolarHBondContact O-N 3.33Å; V240-V317 CarbonylContact C-O 3.42Å; V240-V317 WeakPolarHBondContact CA-O 3.11Å; V240-V317 HydrophobicContact CG1-CB 4.26Å; V240-V317 HydrophobicContact CG1-CG1 4.28Å; V240-V317 HydrophobicContact CG2-CB 4.24Å; I241-V317 PolarHBondContact N-O 3.14Å; V317-A351 CarbonylContact C-O 3.57Å; V317-A351 VanDerWaalsContact CA-O 3.28Å; V317-A351 WeakPolarHBondContact CA-O 3.43Å; V317-A351 HydrophobicContact CG2-CB 4.31Å; V317-F353 HydrophobicContact CG1-CD2 3.82Å; V317-F353 HydrophobicContact CG1-CE2 4.14Å
318V95.7Very high88.3Confident1 Ų121.1 Ų21.11%0.00612%0.117CC..EExtended strand (participates in β ladder)trans-118.2108.5172.3-175.20000108.4I241 L324 F332 L336 A351 M352 F353I241-V318 HydrophobicContact CB-CG2 4.5Å; V318-L324 HydrophobicContact CG1-CD1 3.32Å; V318-F332 HydrophobicContact CG1-CE1 4.12Å; V318-F332 HydrophobicContact CG1-CZ 3.92Å; V318-L336 HydrophobicContact CG2-CD1 4.04Å; V318-A351 PolarHBondContact N-O 2.94Å; V318-M352 HydrophobicContact CB-CE 4.09Å; V318-M352 HydrophobicContact CB-SD 3.49Å; V318-M352 WeakPolarHBondContact CB-SD 3.19Å; V318-M352 HydrophobicContact CG1-CE 4.17Å; V318-M352 HydrophobicContact CG1-SD 4.22Å; V318-M352 HydrophobicContact CG2-CE 4.38Å; V318-M352 HydrophobicContact CG2-SD 3.56Å; V318-M352 VanDerWaalsContact CG2-SD 3.56Å; V318-F353 PolarHBondContact O-N 3.04Å
319D93.8Very high86.4Confident4 Ų428.6 Ų28.62%0.02115%0.15CC..SBendtrans-91.9149.9175.9-163.616.8000111.2F220 I241 P243 I251 S321F220-D319 HydrophobicContact CE1-CB 4.4Å; I241-D319 PolarHBondContact O-N 3.12Å; P243-D319 VanDerWaalsContact CD-O 3.28Å; P243-D319 WeakPolarHBondContact CD-O 3.41Å; I251-D319 HydrophobicContact CD1-CB 4.09Å; I251-D319 WeakPolarHBondContact CD1-OD2 3.26Å; D319-S321 VanDerWaalsContact C-N 3.29Å; D319-S321 PolarHBondContact O-N 3.44Å
320E89.4Confident84.6Confident11 Ų1131.9 Ų31.95%0.05117%0.171CC..SBendtrans47.150.3-169.4-67.9-169.1-169.700112.7P243 L247 D322 K323 L324 F353 R475P243-E320 HydrophobicContact CG-CB 3.69Å; L247-E320 HydrophobicContact CD2-CB 4.16Å; L247-E320 VanDerWaalsContact CD2-CD 3.44Å; L247-E320 HydrophobicContact CD2-CG 3.68Å; E320-D322 VanDerWaalsContact C-N 3.31Å; E320-D322 PolarHBondContact O-N 3.29Å; E320-K323 HydrophobicContact CB-CB 4.39Å; E320-K323 PolarHBondContact O-N 3.08Å; E320-K323 VanDerWaalsContact O-N 3.13Å; E320-L324 PolarHBondContact O-N 3.5Å; E320-F353 PolarHBondContact N-O 3.03Å; E320-F353 VanDerWaalsContact N-O 3.15Å; E320-R475 WeakPolarHBondContact OE2-CD 3.36Å; E320-R475 IonicContact OE2-NE 3.67Å; E320-R475 PolarHBondContact OE2-NE 2.78Å
321S89.5Confident83.5Confident0 Ų032.7 Ų32.70%018%0.181CC..Hα-helixtrans-60.4-34.5-179.853.70000113.4D319 K323 L324 F325 F353 S354D319-S321 VanDerWaalsContact C-N 3.29Å; D319-S321 PolarHBondContact O-N 3.44Å; S321-K323 VanDerWaalsContact C-N 3.33Å; S321-K323 PolarHBondContact O-N 3.26Å; S321-L324 PolarHBondContact O-N 3.45Å; S321-F325 WeakPolarHBondContact O-CD2 3.39Å; S321-F325 PolarHBondContact O-N 3.28Å; S321-F325 VanDerWaalsContact O-N 3.09Å; S321-F353 WeakPolarHBondContact CB-O 3.2Å; S321-F353 PolarHBondContact N-O 3.32Å; S321-F353 PolarHBondContact OG-O 2.91Å; S321-S354 WeakPolarHBondContact OG-CB 3.4Å
322D86.4Confident82.8Confident4 Ų430.1 Ų30.12%0.02116%0.164CC..Hα-helixtrans-52.5-49.1170.348.48.2000112.4E320 F325 E326 S354 A355 T356 A358 V495 H499E320-D322 VanDerWaalsContact C-N 3.31Å; E320-D322 PolarHBondContact O-N 3.29Å; D322-F325 PolarHBondContact O-N 3.2Å; D322-E326 PolarHBondContact O-N 3.04Å; D322-S354 VanDerWaalsContact CB-OG 3.26Å; D322-S354 WeakPolarHBondContact CB-OG 3.13Å; D322-S354 PolarHBondContact OD2-OG 3.36Å; D322-S354 VanDerWaalsContact OD2-OG 3.11Å; D322-A355 PolarHBondContact OD2-N 3.11Å; D322-T356 WeakPolarHBondContact OD2-CB 3.4Å; D322-T356 PolarHBondContact OD2-N 3.4Å; D322-T356 PolarHBondContact OD2-OG1 3.48Å; D322-A358 HydrophobicContact CB-CB 3.96Å; D322-V495 HydrophobicContact CB-CG1 4.2Å; D322-H499 IonicContact OD1-CE1 3.72Å; D322-H499 IonicContact OD2-CE1 3.95Å; D322-H499 IonicContact OD2-NE2 2.77Å
323K82.5Confident82.2Confident38 Ų3831.1 Ų31.117%0.16516%0.163CC..Hα-helixtrans-63.8-45.3178.7179.449.6170.4168.40111.9P243 E320 S321 F325 E326 R475P243-K323 HydrophobicContact CB-CB 4.48Å; P243-K323 HydrophobicContact CB-CG 3.97Å; P243-K323 HydrophobicContact CG-CB 4.37Å; P243-K323 HydrophobicContact CG-CG 4.24Å; E320-K323 HydrophobicContact CB-CB 4.39Å; E320-K323 PolarHBondContact O-N 3.08Å; E320-K323 VanDerWaalsContact O-N 3.13Å; S321-K323 VanDerWaalsContact C-N 3.33Å; S321-K323 PolarHBondContact O-N 3.26Å; K323-F325 PolarHBondContact O-N 3.21Å; K323-F325 VanDerWaalsContact O-N 3.16Å; K323-E326 HydrophobicContact CD-CB 4.48Å; K323-E326 HydrophobicContact CD-CG 4.22Å; K323-E326 WeakPolarHBondContact CD-OE1 3.42Å; K323-E326 WeakPolarHBondContact CD-OE2 3.36Å; K323-E326 WeakPolarHBondContact CE-OE2 3.29Å; K323-E326 IonicContact NZ-OE2 3.34Å; K323-E326 PolarHBondContact NZ-OE2 2.63Å; K323-E326 WeakPolarHBondContact O-CB 3.19Å; K323-E326 PolarHBondContact O-N 3.45Å; K323-E326 VanDerWaalsContact O-N 3.1Å; K323-R475 VanDerWaalsContact CD-NH2 3.33Å
324L84.3Confident81.5Confident16 Ų1635.5 Ų35.58%0.08419%0.187CC..Hα-helixtrans-60.5-26.4179.7-74.6168.3000112.3I241 P243 P294 V318 E320 S321 F332I241-L324 HydrophobicContact CG2-CD1 4.38Å; P243-L324 HydrophobicContact CB-CD2 3.85Å; P243-L324 HydrophobicContact CB-CG 4Å; P243-L324 HydrophobicContact CG-CG 4.47Å; P294-L324 HydrophobicContact CG-CD2 3.64Å; V318-L324 HydrophobicContact CG1-CD1 3.32Å; E320-L324 PolarHBondContact O-N 3.5Å; S321-L324 PolarHBondContact O-N 3.45Å; L324-F332 HydrophobicContact CB-CD1 3.47Å; L324-F332 VanDerWaalsContact CB-CD1 3.47Å; L324-F332 HydrophobicContact CB-CD2 4.36Å; L324-F332 HydrophobicContact CB-CE1 3.58Å; L324-F332 HydrophobicContact CB-CE2 4.5Å; L324-F332 HydrophobicContact CB-CG 3.85Å; L324-F332 HydrophobicContact CB-CZ 4.12Å; L324-F332 HydrophobicContact CD1-CE1 3.91Å; L324-F332 HydrophobicContact CD1-CE2 4.16Å; L324-F332 HydrophobicContact CD1-CZ 3.69Å; L324-F332 HydrophobicContact CD2-CD2 3.93Å; L324-F332 HydrophobicContact CD2-CE2 4.03Å; L324-F332 HydrophobicContact CD2-CG 4.19Å; L324-F332 HydrophobicContact CD2-CZ 4.31Å; L324-F332 HydrophobicContact CG-CD1 4.41Å; L324-F332 HydrophobicContact CG-CE1 4.22Å; L324-F332 HydrophobicContact CG-CE2 4.48Å; L324-F332 HydrophobicContact CG-CZ 4.27Å; L324-F332 WeakPolarHBondContact O-CB 3.46Å
325F84.4Confident81Confident8 Ų835.6 Ų35.64%0.03519%0.187CC..THydrogen-bonded Turntrans-91.7-4.4178.8-79.8-116.4000114.5S321 D322 K323 D327 G328 F332 R333 L336 M352 V361 W364S321-F325 WeakPolarHBondContact O-CD2 3.39Å; S321-F325 PolarHBondContact O-N 3.28Å; S321-F325 VanDerWaalsContact O-N 3.09Å; D322-F325 PolarHBondContact O-N 3.2Å; K323-F325 PolarHBondContact O-N 3.21Å; K323-F325 VanDerWaalsContact O-N 3.16Å; F325-D327 VanDerWaalsContact C-N 3.31Å; F325-D327 PolarHBondContact O-N 2.93Å; F325-G328 PolarHBondContact O-N 3.46Å; F325-F332 AromaticContact CD2-CD1 3.82Å; F325-F332 HydrophobicContact CD2-CD1 3.82Å; F325-F332 HydrophobicContact CD2-CE1 4.08Å; F325-F332 AromaticContact CE2-CD1 3.74Å; F325-F332 HydrophobicContact CE2-CD1 3.74Å; F325-F332 AromaticContact CE2-CE1 3.67Å; F325-F332 HydrophobicContact CE2-CE1 3.67Å; F325-R333 HydrophobicContact CD1-CG 4.36Å; F325-R333 HydrophobicContact CE1-CG 4.14Å; F325-L336 HydrophobicContact CE2-CD2 4.33Å; F325-L336 HydrophobicContact CZ-CD2 4.21Å; F325-M352 HydrophobicContact CE2-CE 3.7Å; F325-M352 HydrophobicContact CZ-CE 4.07Å; F325-V361 HydrophobicContact CB-CG2 3.9Å; F325-V361 HydrophobicContact CD1-CG2 4.21Å; F325-V361 HydrophobicContact CD2-CG2 4.11Å; F325-V361 HydrophobicContact CG-CG2 3.82Å; F325-W364 HydrophobicContact CE1-CB 3.62Å; F325-W364 AromaticContact CE1-CD1 3.89Å; F325-W364 AromaticContact CE1-CD2 3.8Å; F325-W364 HydrophobicContact CE1-CD2 3.8Å; F325-W364 HydrophobicContact CE1-CE3 4.31Å; F325-W364 AromaticContact CE1-CG 3.46Å; F325-W364 HydrophobicContact CE1-CG 3.46Å; F325-W364 VanDerWaalsContact CE1-CG 3.46Å; F325-W364 HydrophobicContact CZ-CB 4.27Å; F325-W364 AromaticContact CZ-CD2 3.65Å; F325-W364 HydrophobicContact CZ-CD2 3.65Å; F325-W364 AromaticContact CZ-CE3 3.8Å; F325-W364 HydrophobicContact CZ-CE3 3.8Å; F325-W364 AromaticContact CZ-CG 3.86Å; F325-W364 HydrophobicContact CZ-CG 3.86Å; F325-W364 HydrophobicContact CZ-CZ3 4.42Å
326E74.6Confident80.6Confident39 Ų3935.3 Ų35.318%0.18219%0.186CC..THydrogen-bonded Turntrans-61.5-33.7-176.2-80177.6-163.100113.2D322 K323 G328 R475D322-E326 PolarHBondContact O-N 3.04Å; K323-E326 HydrophobicContact CD-CB 4.48Å; K323-E326 HydrophobicContact CD-CG 4.22Å; K323-E326 WeakPolarHBondContact CD-OE1 3.42Å; K323-E326 WeakPolarHBondContact CD-OE2 3.36Å; K323-E326 WeakPolarHBondContact CE-OE2 3.29Å; K323-E326 IonicContact NZ-OE2 3.34Å; K323-E326 PolarHBondContact NZ-OE2 2.63Å; K323-E326 WeakPolarHBondContact O-CB 3.19Å; K323-E326 PolarHBondContact O-N 3.45Å; K323-E326 VanDerWaalsContact O-N 3.1Å; E326-G328 PolarHBondContact O-N 3.11Å; E326-G328 VanDerWaalsContact O-N 3.08Å; E326-R475 IonicContact OE1-NH2 2.88Å
327D62.5Low80.1Confident106 Ų10637.4 Ų37.457%0.56720%0.204SC*.THydrogen-bonded Turntrans-75.83.1-174-64.5-24.8000114F325F325-D327 VanDerWaalsContact C-N 3.31Å; F325-D327 PolarHBondContact O-N 2.93Å
328G58.7Low79.8Confident23 Ų2339.8 Ų39.824%0.23722%0.221CC..  trans82.5-154.5177.500000113.6F325 E326 T330F325-G328 PolarHBondContact O-N 3.46Å; E326-G328 PolarHBondContact O-N 3.11Å; E326-G328 VanDerWaalsContact O-N 3.08Å; G328-T330 PolarHBondContact O-N 3.47Å
329K52.1Low79.6Confident162 Ų16239.8 Ų39.870%0.70422%0.22SC*.THydrogen-bonded Turntrans-69.7-29.2-167.3-71.4-171.1177-173.30114.7
330T55.7Low79.5Confident110 Ų11041.4 Ų41.468%0.67523%0.227SC*.THydrogen-bonded Turntrans-103.39.8-159.753.50000115.3G328G328-T330 PolarHBondContact O-N 3.47Å
331G69.9Low79.6Confident21 Ų2147.8 Ų47.822%0.21626%0.261CS..SBendtrans-113.2-94.5-176.700000111.6R333 Q335G331-R333 PolarHBondContact O-N 3.26Å; G331-Q335 WeakPolarHBondContact O-CG 3.16Å
332F79.6Confident79.8Confident9 Ų949 Ų494%0.03927%0.271CS..Hα-helixtrans-71.6-27.8-174.1-179.2-114.8000114.2I241 P294 V318 L324 F325 D334 Q335 L336I241-F332 HydrophobicContact CG2-CE2 4.26Å; I241-F332 HydrophobicContact CG2-CZ 4.41Å; P294-F332 HydrophobicContact CB-CD2 3.75Å; P294-F332 HydrophobicContact CB-CE2 3.7Å; P294-F332 HydrophobicContact CG-CD2 3.63Å; P294-F332 HydrophobicContact CG-CE2 3.4Å; P294-F332 HydrophobicContact CG-CZ 4.49Å; V318-F332 HydrophobicContact CG1-CE1 4.12Å; V318-F332 HydrophobicContact CG1-CZ 3.92Å; L324-F332 HydrophobicContact CB-CD1 3.47Å; L324-F332 VanDerWaalsContact CB-CD1 3.47Å; L324-F332 HydrophobicContact CB-CD2 4.36Å; L324-F332 HydrophobicContact CB-CE1 3.58Å; L324-F332 HydrophobicContact CB-CE2 4.5Å; L324-F332 HydrophobicContact CB-CG 3.85Å; L324-F332 HydrophobicContact CB-CZ 4.12Å; L324-F332 HydrophobicContact CD1-CE1 3.91Å; L324-F332 HydrophobicContact CD1-CE2 4.16Å; L324-F332 HydrophobicContact CD1-CZ 3.69Å; L324-F332 HydrophobicContact CD2-CD2 3.93Å; L324-F332 HydrophobicContact CD2-CE2 4.03Å; L324-F332 HydrophobicContact CD2-CG 4.19Å; L324-F332 HydrophobicContact CD2-CZ 4.31Å; L324-F332 HydrophobicContact CG-CD1 4.41Å; L324-F332 HydrophobicContact CG-CE1 4.22Å; L324-F332 HydrophobicContact CG-CE2 4.48Å; L324-F332 HydrophobicContact CG-CZ 4.27Å; L324-F332 WeakPolarHBondContact O-CB 3.46Å; F325-F332 AromaticContact CD2-CD1 3.82Å; F325-F332 HydrophobicContact CD2-CD1 3.82Å; F325-F332 HydrophobicContact CD2-CE1 4.08Å; F325-F332 AromaticContact CE2-CD1 3.74Å; F325-F332 HydrophobicContact CE2-CD1 3.74Å; F325-F332 AromaticContact CE2-CE1 3.67Å; F325-F332 HydrophobicContact CE2-CE1 3.67Å; F332-D334 PolarHBondContact O-N 2.93Å; F332-Q335 HydrophobicContact CD2-CB 4.37Å; F332-Q335 CarbonylContact O-C 3.56Å; F332-Q335 WeakPolarHBondContact O-CB 3.47Å; F332-Q335 PolarHBondContact O-N 3.09Å; F332-L336 HydrophobicContact CD1-CB 4.47Å; F332-L336 HydrophobicContact CE1-CB 4.14Å; F332-L336 HydrophobicContact CE1-CD1 4.37Å; F332-L336 HydrophobicContact CE1-CD2 3.76Å; F332-L336 HydrophobicContact CE1-CG 4.33Å; F332-L336 HydrophobicContact CE2-CB 4.39Å; F332-L336 HydrophobicContact CZ-CB 4.09Å; F332-L336 HydrophobicContact CZ-CD1 3.87Å; F332-L336 HydrophobicContact CZ-CD2 4.12Å; F332-L336 HydrophobicContact CZ-CG 4.26Å; F332-L336 VanDerWaalsContact O-CB 3.31Å; F332-L336 WeakPolarHBondContact O-CB 3.22Å; F332-L336 PolarHBondContact O-N 3.32Å
333R81.3Confident80.1Confident52 Ų5249.1 Ų49.120%0.19627%0.272CS..Hα-helixtrans-62.8-43.7-178.3-61.3-173.6-172.5-165-4.9111.9F325 G331 Q335 L336 A337F325-R333 HydrophobicContact CD1-CG 4.36Å; F325-R333 HydrophobicContact CE1-CG 4.14Å; G331-R333 PolarHBondContact O-N 3.26Å; R333-Q335 VanDerWaalsContact C-N 3.32Å; R333-L336 PolarHBondContact O-N 2.95Å; R333-A337 WeakPolarHBondContact O-CB 3.37Å; R333-A337 PolarHBondContact O-N 2.69Å
334D81.6Confident80.6Confident92 Ų9251.7 Ų51.749%0.49229%0.291SS..Hα-helixtrans-67.8-36177.4-57.7-29.8000111.4F332 S338F332-D334 PolarHBondContact O-N 2.93Å; D334-S338 PolarHBondContact O-N 3.3Å; D334-S338 PolarHBondContact O-OG 3.37Å
335Q86.2Confident81Confident43 Ų4351.8 Ų51.820%0.20129%0.293CS..Hα-helixtrans-65.1-46.1172.9-63.4174.4-1.500111.1P294 N295 I298 G331 F332 R333 A337 S338 I339P294-Q335 VanDerWaalsContact CB-OE1 3.25Å; N295-Q335 PolarHBondContact OD1-NE2 3.45Å; N295-Q335 PolarHBondContact OD1-OE1 3.42Å; I298-Q335 HydrophobicContact CD1-CB 4.22Å; I298-Q335 WeakPolarHBondContact CD1-O 3.46Å; I298-Q335 HydrophobicContact CG1-CB 3.93Å; I298-Q335 HydrophobicContact CG1-CG 4.1Å; G331-Q335 WeakPolarHBondContact O-CG 3.16Å; F332-Q335 HydrophobicContact CD2-CB 4.37Å; F332-Q335 CarbonylContact O-C 3.56Å; F332-Q335 WeakPolarHBondContact O-CB 3.47Å; F332-Q335 PolarHBondContact O-N 3.09Å; R333-Q335 VanDerWaalsContact C-N 3.32Å; Q335-A337 VanDerWaalsContact C-N 3.33Å; Q335-A337 PolarHBondContact O-N 2.85Å; Q335-S338 WeakPolarHBondContact O-CB 3.42Å; Q335-S338 PolarHBondContact O-N 2.96Å; Q335-S338 VanDerWaalsContact O-N 3.16Å; Q335-I339 WeakPolarHBondContact O-CD1 3.45Å; Q335-I339 VanDerWaalsContact O-CG1 3.3Å; Q335-I339 WeakPolarHBondContact O-CG1 3.29Å; Q335-I339 PolarHBondContact O-N 2.78Å
336L89Confident81.3Confident0 Ų057.2 Ų57.20%033%0.329CS..Hα-helixtrans-64.2-39.9179.7-170.359.3000111.1V318 F325 F332 R333 S338 I339 F340 M352 W364V318-L336 HydrophobicContact CG2-CD1 4.04Å; F325-L336 HydrophobicContact CE2-CD2 4.33Å; F325-L336 HydrophobicContact CZ-CD2 4.21Å; F332-L336 HydrophobicContact CD1-CB 4.47Å; F332-L336 HydrophobicContact CE1-CB 4.14Å; F332-L336 HydrophobicContact CE1-CD1 4.37Å; F332-L336 HydrophobicContact CE1-CD2 3.76Å; F332-L336 HydrophobicContact CE1-CG 4.33Å; F332-L336 HydrophobicContact CE2-CB 4.39Å; F332-L336 HydrophobicContact CZ-CB 4.09Å; F332-L336 HydrophobicContact CZ-CD1 3.87Å; F332-L336 HydrophobicContact CZ-CD2 4.12Å; F332-L336 HydrophobicContact CZ-CG 4.26Å; F332-L336 VanDerWaalsContact O-CB 3.31Å; F332-L336 WeakPolarHBondContact O-CB 3.22Å; F332-L336 PolarHBondContact O-N 3.32Å; R333-L336 PolarHBondContact O-N 2.95Å; L336-S338 PolarHBondContact O-N 2.88Å; L336-I339 PolarHBondContact O-N 3.04Å; L336-F340 HydrophobicContact CD1-CD1 3.88Å; L336-F340 HydrophobicContact CD1-CE1 3.4Å; L336-F340 VanDerWaalsContact CD1-CE1 3.4Å; L336-F340 HydrophobicContact CD1-CZ 4.17Å; L336-F340 HydrophobicContact CD2-CE1 4.3Å; L336-F340 HydrophobicContact CD2-CZ 4.25Å; L336-F340 HydrophobicContact CG-CD1 4.06Å; L336-F340 HydrophobicContact CG-CE1 3.65Å; L336-F340 HydrophobicContact CG-CZ 4.02Å; L336-F340 WeakPolarHBondContact O-CB 3.48Å; L336-F340 VanDerWaalsContact O-CD1 3.25Å; L336-F340 WeakPolarHBondContact O-CD1 3.27Å; L336-F340 WeakPolarHBondContact O-CG 3.2Å; L336-F340 PolarHBondContact O-N 3.02Å; L336-M352 HydrophobicContact CD2-CE 4.38Å; L336-W364 HydrophobicContact CD2-CH2 3.25Å; L336-W364 HydrophobicContact CD2-CZ2 3.64Å; L336-W364 HydrophobicContact CD2-CZ3 3.78Å; L336-W364 HydrophobicContact CG-CH2 3.93Å; L336-W364 HydrophobicContact CG-CZ2 4.19Å
337A87.3Confident82.1Confident47 Ų4762 Ų6239%0.38835%0.349SS..Hα-helixtrans-59.1-45.7171.700000111.7R333 Q335 I339 F340 L341R333-A337 WeakPolarHBondContact O-CB 3.37Å; R333-A337 PolarHBondContact O-N 2.69Å; Q335-A337 VanDerWaalsContact C-N 3.33Å; Q335-A337 PolarHBondContact O-N 2.85Å; A337-I339 VanDerWaalsContact C-N 3.3Å; A337-I339 PolarHBondContact O-N 3.33Å; A337-F340 PolarHBondContact O-N 3.38Å; A337-L341 WeakPolarHBondContact O-CG 3.4Å; A337-L341 PolarHBondContact O-N 3Å
338S90.4Very high83.7Confident50 Ų5058.1 Ų58.135%0.3533%0.33SS..Hα-helixtrans-61.8-37.8176.1-560000112.3D334 Q335 L336 A342D334-S338 PolarHBondContact O-N 3.3Å; D334-S338 PolarHBondContact O-OG 3.37Å; Q335-S338 WeakPolarHBondContact O-CB 3.42Å; Q335-S338 PolarHBondContact O-N 2.96Å; Q335-S338 VanDerWaalsContact O-N 3.16Å; L336-S338 PolarHBondContact O-N 2.88Å; S338-A342 PolarHBondContact O-N 3.48Å
339I92.9Very high85.4Confident0 Ų061.4 Ų61.40%034%0.335CS..Hα-helixtrans-68.5-42.9176.2-69.2154.9000110.6L239 I241 L297 I298 L301 L316 Q335 L336 A337 L341 A342 C343L239-I339 HydrophobicContact CD2-CG2 4.02Å; I241-I339 HydrophobicContact CD1-CD1 3.64Å; I241-I339 HydrophobicContact CD1-CG2 4.02Å; L297-I339 HydrophobicContact CD2-CD1 4.05Å; L297-I339 HydrophobicContact CD2-CG1 3.87Å; L297-I339 HydrophobicContact CD2-CG2 4.27Å; L297-I339 HydrophobicContact CG-CG1 4.5Å; I298-I339 HydrophobicContact CD1-CD1 4.18Å; I298-I339 HydrophobicContact CD1-CG1 3.78Å; I298-I339 HydrophobicContact CG1-CD1 4.41Å; I298-I339 HydrophobicContact CG1-CG1 4.46Å; L301-I339 HydrophobicContact CD1-CG1 4.34Å; L316-I339 HydrophobicContact CD1-CG2 4.3Å; L316-I339 HydrophobicContact CD2-CG2 3.97Å; Q335-I339 WeakPolarHBondContact O-CD1 3.45Å; Q335-I339 VanDerWaalsContact O-CG1 3.3Å; Q335-I339 WeakPolarHBondContact O-CG1 3.29Å; Q335-I339 PolarHBondContact O-N 2.78Å; L336-I339 PolarHBondContact O-N 3.04Å; A337-I339 VanDerWaalsContact C-N 3.3Å; A337-I339 PolarHBondContact O-N 3.33Å; I339-L341 VanDerWaalsContact C-N 3.32Å; I339-L341 PolarHBondContact O-N 3.32Å; I339-A342 WeakPolarHBondContact O-CB 3.48Å; I339-A342 PolarHBondContact O-N 3.17Å; I339-A342 VanDerWaalsContact O-N 3.11Å; I339-C343 PolarHBondContact O-N 3.4Å; I339-C343 VanDerWaalsContact O-N 3.14Å; I339-C343 PolarHBondContact O-SG 2.62Å
340F91.1Very high87.5Confident39 Ų3956.2 Ų56.217%0.17131%0.311CS..Hα-helixtrans-60.7-43.9178.4-80.418.4000111L316 L336 A337 A342 C343 R350 W364 L369L316-F340 HydrophobicContact CD2-CD1 3.37Å; L316-F340 HydrophobicContact CD2-CE1 3.27Å; L316-F340 HydrophobicContact CD2-CZ 4.43Å; L316-F340 HydrophobicContact CG-CE1 4.25Å; L336-F340 HydrophobicContact CD1-CD1 3.88Å; L336-F340 HydrophobicContact CD1-CE1 3.4Å; L336-F340 VanDerWaalsContact CD1-CE1 3.4Å; L336-F340 HydrophobicContact CD1-CZ 4.17Å; L336-F340 HydrophobicContact CD2-CE1 4.3Å; L336-F340 HydrophobicContact CD2-CZ 4.25Å; L336-F340 HydrophobicContact CG-CD1 4.06Å; L336-F340 HydrophobicContact CG-CE1 3.65Å; L336-F340 HydrophobicContact CG-CZ 4.02Å; L336-F340 WeakPolarHBondContact O-CB 3.48Å; L336-F340 VanDerWaalsContact O-CD1 3.25Å; L336-F340 WeakPolarHBondContact O-CD1 3.27Å; L336-F340 WeakPolarHBondContact O-CG 3.2Å; L336-F340 PolarHBondContact O-N 3.02Å; A337-F340 PolarHBondContact O-N 3.38Å; F340-A342 PolarHBondContact O-N 3.34Å; F340-C343 PolarHBondContact O-N 2.83Å; F340-C343 VanDerWaalsContact O-N 3.13Å; F340-R350 HydrophobicContact CE1-CG 4.37Å; F340-R350 VanDerWaalsContact CZ-CD 3.48Å; F340-R350 HydrophobicContact CZ-CG 4.11Å; F340-W364 HydrophobicContact CD2-CH2 4.35Å; F340-W364 AromaticContact CE2-CH2 3.41Å; F340-W364 HydrophobicContact CE2-CH2 3.41Å; F340-W364 VanDerWaalsContact CE2-CH2 3.41Å; F340-W364 HydrophobicContact CE2-CZ2 4.22Å; F340-W364 HydrophobicContact CE2-CZ3 4.25Å; F340-W364 AromaticContact CZ-CH2 3.52Å; F340-W364 HydrophobicContact CZ-CH2 3.52Å; F340-W364 HydrophobicContact CZ-CZ3 4.16Å; F340-L369 HydrophobicContact CE2-CD2 4.09Å; F340-L369 HydrophobicContact CZ-CD2 4.28Å
341L91.8Very high89.4Confident145 Ų14551 Ų5176%0.75928%0.278SS*.Hα-helixtrans-62.5-30.7175.5-69.9171.5000112.8A337 I339 T344A337-L341 WeakPolarHBondContact O-CG 3.4Å; A337-L341 PolarHBondContact O-N 3Å; I339-L341 VanDerWaalsContact C-N 3.32Å; I339-L341 PolarHBondContact O-N 3.32Å; L341-T344 WeakPolarHBondContact O-CG2 3.35Å
342A93Very high90.7Very high24 Ų2450 Ų5020%0.19827%0.268CS..Hα-helixtrans-77.3-21.3176.400000113.5L301 L310 S338 I339 F340 T344L301-A342 HydrophobicContact CD1-CB 4.01Å; L301-A342 HydrophobicContact CD2-CB 3.89Å; L310-A342 CarbonylContact C-O 3.59Å; L310-A342 HydrophobicContact CB-CB 4.46Å; L310-A342 HydrophobicContact CD1-CB 4.14Å; S338-A342 PolarHBondContact O-N 3.48Å; I339-A342 WeakPolarHBondContact O-CB 3.48Å; I339-A342 PolarHBondContact O-N 3.17Å; I339-A342 VanDerWaalsContact O-N 3.11Å; F340-A342 PolarHBondContact O-N 3.34Å; A342-T344 PolarHBondContact O-N 2.61Å
343C93.5Very high91.4Very high8 Ų849.6 Ų49.65%0.05427%0.266CS..  trans-90.977.5178.2-68.70000111V313 I339 F340 S345 V348V313-C343 HydrophobicContact CB-CB 4.47Å; I339-C343 PolarHBondContact O-N 3.4Å; I339-C343 VanDerWaalsContact O-N 3.14Å; I339-C343 PolarHBondContact O-SG 2.62Å; F340-C343 PolarHBondContact O-N 2.83Å; F340-C343 VanDerWaalsContact O-N 3.13Å; C343-S345 VanDerWaalsContact C-N 3.34Å; C343-S345 PolarHBondContact O-N 2.88Å; C343-V348 HydrophobicContact CB-CG2 4.21Å
344T92.2Very high91.9Very high92 Ų9247.1 Ų47.156%0.56426%0.257SS*.  trans-84.92.3-171.160.90000115.3L341 A342L341-T344 WeakPolarHBondContact O-CG2 3.35Å; A342-T344 PolarHBondContact O-N 2.61Å
345S92.4Very high91.9Very high17 Ų1743.2 Ų43.212%0.11924%0.238CC..  trans-65.1132.7-178.9-179.20000111.3T311 V313 C343 K347 V348T311-S345 WeakPolarHBondContact O-CB 3.44Å; T311-S345 PolarHBondContact O-N 3.48Å; V313-S345 WeakPolarHBondContact O-CB 3.28Å; C343-S345 VanDerWaalsContact C-N 3.34Å; C343-S345 PolarHBondContact O-N 2.88Å; S345-K347 PolarHBondContact O-N 2.92Å; S345-K347 VanDerWaalsContact O-N 3.13Å; S345-K347 PolarHBondContact OG-N 3.1Å; S345-V348 WeakPolarHBondContact O-CB 3.35Å; S345-V348 VanDerWaalsContact O-CG1 3.25Å; S345-V348 WeakPolarHBondContact O-CG1 3.33Å; S345-V348 PolarHBondContact O-N 3.35Å
346P91.6Very high91.7Very high122 Ų12241.3 Ų41.379%0.79223%0.229SC*.THydrogen-bonded Turntrans-65.4-17.2174.627.9-35.2000112.8V348P346-V348 VanDerWaalsContact C-N 3.34Å
347K92.1Very high91.2Very high139 Ų13942.4 Ų42.460%0.60423%0.234SC*.THydrogen-bonded Turntrans-87.6-1.8177.9-61.8-174.6179.8-175.80113.2E314 S345 R349E314-K347 HydrophobicContact CG-CB 4.27Å; S345-K347 PolarHBondContact O-N 2.92Å; S345-K347 VanDerWaalsContact O-N 3.13Å; S345-K347 PolarHBondContact OG-N 3.1Å; K347-R349 PolarHBondContact O-N 3.41Å
348V94.4Very high90.9Very high26 Ų2641.3 Ų41.316%0.15823%0.225CC..  trans-58.6130.5-17572.30000110.7E314 C343 S345 P346E314-V348 CarbonylContact O-C 3.56Å; E314-V348 VanDerWaalsContact O-CA 3.3Å; E314-V348 WeakPolarHBondContact O-CA 3.35Å; C343-V348 HydrophobicContact CB-CG2 4.21Å; S345-V348 WeakPolarHBondContact O-CB 3.35Å; S345-V348 VanDerWaalsContact O-CG1 3.25Å; S345-V348 WeakPolarHBondContact O-CG1 3.33Å; S345-V348 PolarHBondContact O-N 3.35Å; P346-V348 VanDerWaalsContact C-N 3.34Å
349R95.5Very high90.6Very high91 Ų9146 Ų4634%0.34324%0.236SC..EExtended strand (participates in β ladder)trans-126.9145.4171.1-64.9-60.5-177.7-93.22.3109.8G203 E314 W315 L316 K347G203-R349 WeakPolarHBondContact O-CD 3.49Å; G203-R349 PolarHBondContact O-NE 3.4Å; E314-R349 PolarHBondContact O-N 2.66Å; W315-R349 HydrophobicContact CD2-CB 4.03Å; W315-R349 HydrophobicContact CE3-CB 3.82Å; W315-R349 HydrophobicContact CH2-CB 3.65Å; W315-R349 HydrophobicContact CH2-CG 4.43Å; W315-R349 HydrophobicContact CZ2-CB 3.86Å; W315-R349 HydrophobicContact CZ2-CG 4.35Å; W315-R349 HydrophobicContact CZ3-CB 3.62Å; L316-R349 PolarHBondContact N-O 3.33Å; K347-R349 PolarHBondContact O-N 3.41Å
350R95.7Very high90.1Very high53 Ų5349.3 Ų49.320%0.225%0.253CS..EExtended strand (participates in β ladder)trans-117.4131.8-171.7-69159-71.6175.54.9110.4E205 L206 L316 F340 N368 L369E205-R350 VanDerWaalsContact CA-O 3.29Å; E205-R350 WeakPolarHBondContact CA-O 3.47Å; E205-R350 WeakPolarHBondContact CB-O 3.04Å; E205-R350 VanDerWaalsContact CD-NH2 3.32Å; E205-R350 IonicContact OE1-CZ 3.37Å; E205-R350 PolarHBondContact OE1-N 3.22Å; E205-R350 IonicContact OE1-NE 3.73Å; E205-R350 PolarHBondContact OE1-NE 3.4Å; E205-R350 IonicContact OE1-NH2 2.69Å; E205-R350 PolarHBondContact OE1-NH2 3.07Å; E205-R350 IonicContact OE2-CZ 3.64Å; E205-R350 IonicContact OE2-NE 3.1Å; E205-R350 IonicContact OE2-NH2 3.31Å; E205-R350 PolarHBondContact OE2-NH2 3.24Å; E205-R350 VanDerWaalsContact OE2-NH2 3.11Å; L206-R350 PolarHBondContact N-O 3.29Å; L206-R350 VanDerWaalsContact N-O 3.14Å; L316-R350 HydrophobicContact CB-CG 4.23Å; L316-R350 HydrophobicContact CD2-CG 4.49Å; L316-R350 WeakPolarHBondContact O-CA 3.37Å; F340-R350 HydrophobicContact CE1-CG 4.37Å; F340-R350 VanDerWaalsContact CZ-CD 3.48Å; F340-R350 HydrophobicContact CZ-CG 4.11Å; R350-N368 PolarHBondContact NH1-O 3.13Å; R350-L369 HydrophobicContact CB-CD1 4.45Å; R350-L369 HydrophobicContact CB-CD2 3.78Å; R350-L369 VanDerWaalsContact CD-CD2 3.47Å; R350-L369 HydrophobicContact CG-CD2 4.21Å
351A96.5Very high89.9Confident0 Ų047.6 Ų47.60%025%0.246CC..EExtended strand (participates in β ladder)trans-130.3127.5173.900000111.3M200 L206 W315 L316 V317 V318 F353M200-A351 HydrophobicContact CE-CB 4.22Å; M200-A351 HydrophobicContact SD-CB 4.35Å; L206-A351 HydrophobicContact CB-CB 4.14Å; L206-A351 CarbonylContact O-C 3.59Å; L206-A351 WeakPolarHBondContact O-CA 3.46Å; W315-A351 HydrophobicContact CE3-CB 4.5Å; W315-A351 HydrophobicContact CZ3-CB 4.06Å; L316-A351 PolarHBondContact O-N 3.09Å; V317-A351 CarbonylContact C-O 3.57Å; V317-A351 VanDerWaalsContact CA-O 3.28Å; V317-A351 WeakPolarHBondContact CA-O 3.43Å; V317-A351 HydrophobicContact CG2-CB 4.31Å; V318-A351 PolarHBondContact N-O 2.94Å; A351-F353 HydrophobicContact CB-CD2 4.35Å; A351-F353 HydrophobicContact CB-CE2 3.76Å
352M95.6Very high89.8Confident1 Ų141.3 Ų41.31%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-109.5118.8-179.5-59.2-69.1-74.600108.3L206 L207 A208 V318 F325 L336 V361 W364 L369L206-M352 PolarHBondContact O-N 2.91Å; L207-M352 CarbonylContact C-O 3.6Å; L207-M352 WeakPolarHBondContact CA-O 3.32Å; L207-M352 HydrophobicContact CD1-CB 3.9Å; A208-M352 PolarHBondContact N-O 3.02Å; V318-M352 HydrophobicContact CB-CE 4.09Å; V318-M352 HydrophobicContact CB-SD 3.49Å; V318-M352 WeakPolarHBondContact CB-SD 3.19Å; V318-M352 HydrophobicContact CG1-CE 4.17Å; V318-M352 HydrophobicContact CG1-SD 4.22Å; V318-M352 HydrophobicContact CG2-CE 4.38Å; V318-M352 HydrophobicContact CG2-SD 3.56Å; V318-M352 VanDerWaalsContact CG2-SD 3.56Å; F325-M352 HydrophobicContact CE2-CE 3.7Å; F325-M352 HydrophobicContact CZ-CE 4.07Å; L336-M352 HydrophobicContact CD2-CE 4.38Å; M352-V361 HydrophobicContact CE-CG1 4.39Å; M352-W364 HydrophobicContact CE-CZ3 4.31Å; M352-L369 HydrophobicContact CG-CD1 4.13Å
353F95Very high89.6Confident0 Ų043 Ų430%022%0.217CC..EExtended strand (participates in β ladder)trans-107.4136.7175.9-74.6-97.8000109.5M200 L206 A208 K216 A219 F220 V317 V318 E320 S321 A351M200-F353 HydrophobicContact SD-CE2 4.24Å; M200-F353 HydrophobicContact SD-CZ 4.03Å; L206-F353 HydrophobicContact CD2-CE2 4.33Å; L206-F353 HydrophobicContact CD2-CZ 3.83Å; A208-F353 HydrophobicContact CB-CD1 3.44Å; A208-F353 VanDerWaalsContact CB-CD1 3.44Å; A208-F353 HydrophobicContact CB-CE1 3.43Å; A208-F353 VanDerWaalsContact CB-CE1 3.43Å; A208-F353 HydrophobicContact CB-CG 4.06Å; A208-F353 HydrophobicContact CB-CZ 4.03Å; A208-F353 CarbonylContact O-C 3.6Å; A208-F353 WeakPolarHBondContact O-CA 3.48Å; K216-F353 HydrophobicContact CB-CD1 3.94Å; K216-F353 HydrophobicContact CD-CB 4.32Å; K216-F353 HydrophobicContact CD-CD1 4.16Å; K216-F353 HydrophobicContact CG-CD1 4.17Å; A219-F353 HydrophobicContact CB-CE1 4.04Å; F220-F353 HydrophobicContact CB-CD2 4.38Å; F220-F353 HydrophobicContact CB-CE2 3.57Å; F220-F353 HydrophobicContact CB-CZ 3.7Å; F220-F353 HydrophobicContact CD1-CD1 4.24Å; F220-F353 AromaticContact CD1-CD2 3.78Å; F220-F353 HydrophobicContact CD1-CD2 3.78Å; F220-F353 HydrophobicContact CD1-CE1 4.22Å; F220-F353 AromaticContact CD1-CE2 3.77Å; F220-F353 HydrophobicContact CD1-CE2 3.77Å; F220-F353 HydrophobicContact CD1-CG 4.02Å; F220-F353 AromaticContact CD1-CZ 4Å; F220-F353 HydrophobicContact CD1-CZ 4Å; F220-F353 HydrophobicContact CG-CD2 4.48Å; F220-F353 HydrophobicContact CG-CE2 4.12Å; F220-F353 HydrophobicContact CG-CZ 4.36Å; V317-F353 HydrophobicContact CG1-CD2 3.82Å; V317-F353 HydrophobicContact CG1-CE2 4.14Å; V318-F353 PolarHBondContact O-N 3.04Å; E320-F353 PolarHBondContact N-O 3.03Å; E320-F353 VanDerWaalsContact N-O 3.15Å; S321-F353 WeakPolarHBondContact CB-O 3.2Å; S321-F353 PolarHBondContact N-O 3.32Å; S321-F353 PolarHBondContact OG-O 2.91Å; A351-F353 HydrophobicContact CB-CD2 4.35Å; A351-F353 HydrophobicContact CB-CE2 3.76Å
354S91.2Very high89.4Confident1 Ų143.8 Ų43.81%0.00722%0.219CC..EExtended strand (participates in β ladder)trans-140.6145.8-175.6-165.50000110.4A208 S209 A210 S321 D322 T356A208-S354 PolarHBondContact O-N 3.46Å; S209-S354 WeakPolarHBondContact CA-O 3.49Å; A210-S354 PolarHBondContact N-O 3.14Å; A210-S354 VanDerWaalsContact O-O 3.13Å; S321-S354 WeakPolarHBondContact OG-CB 3.4Å; D322-S354 VanDerWaalsContact CB-OG 3.26Å; D322-S354 WeakPolarHBondContact CB-OG 3.13Å; D322-S354 PolarHBondContact OD2-OG 3.36Å; D322-S354 VanDerWaalsContact OD2-OG 3.11Å; S354-T356 WeakPolarHBondContact CB-O 3.5Å; S354-T356 PolarHBondContact OG-N 3.32Å; S354-T356 PolarHBondContact OG-O 3Å
355A83.5Confident89.3Confident9 Ų939.4 Ų39.47%0.07419%0.192CC..SBendtrans-77.9-30.5171.400000111.9A210 T212 D322 H499A210-A355 VanDerWaalsContact O-CA 3.28Å; A210-A355 WeakPolarHBondContact O-CA 3.48Å; T212-A355 HydrophobicContact CG2-CB 4.13Å; D322-A355 PolarHBondContact OD2-N 3.11Å; A355-H499 WeakPolarHBondContact CB-NE2 3.4Å
356T80.9Confident89.2Confident4 Ų444 Ų443%0.02521%0.209CC..SBendtrans-126.2157.7-174.665.90000111.9D322 S354 A358 V495 I498D322-T356 WeakPolarHBondContact OD2-CB 3.4Å; D322-T356 PolarHBondContact OD2-N 3.4Å; D322-T356 PolarHBondContact OD2-OG1 3.48Å; S354-T356 WeakPolarHBondContact CB-O 3.5Å; S354-T356 PolarHBondContact OG-N 3.32Å; S354-T356 PolarHBondContact OG-O 3Å; T356-A358 VanDerWaalsContact C-N 3.34Å; T356-A358 PolarHBondContact O-N 3.01Å; T356-A358 VanDerWaalsContact O-N 3.09Å; T356-V495 HydrophobicContact CG2-CB 4.37Å; T356-V495 HydrophobicContact CG2-CG1 4.03Å; T356-V495 HydrophobicContact CG2-CG2 4.24Å; T356-V495 WeakPolarHBondContact OG1-CG2 3.37Å; T356-I498 HydrophobicContact CG2-CB 4.3Å; T356-I498 HydrophobicContact CG2-CD1 3.81Å; T356-I498 HydrophobicContact CG2-CG2 4.18Å
357F79.5Confident89.1Confident23 Ų2344.7 Ų44.710%0.10121%0.206CC..  trans-83.982.7175.4-168.2-93.8000109.1E362 R380 N381F357-E362 VanDerWaalsContact CE1-OE2 3.28Å; F357-E362 WeakPolarHBondContact CE1-OE2 3.18Å; F357-E362 HydrophobicContact CZ-CB 4.5Å; F357-E362 HydrophobicContact CZ-CG 4.17Å; F357-E362 WeakPolarHBondContact CZ-OE2 3.49Å; F357-R380 HydrophobicContact CG-CG 4.39Å; F357-N381 PolarHBondContact N-OD1 3.32Å; F357-N381 PolarHBondContact O-ND2 3.01Å; F357-N381 PolarHBondContact O-OD1 2.99Å
358A80.1Confident88.9Confident24 Ų2441.7 Ų41.720%0.19820%0.197CC..  trans-85.3114.8177.700000110.7D322 T356 D360 V361 E362D322-A358 HydrophobicContact CB-CB 3.96Å; T356-A358 VanDerWaalsContact C-N 3.34Å; T356-A358 PolarHBondContact O-N 3.01Å; T356-A358 VanDerWaalsContact O-N 3.09Å; A358-D360 PolarHBondContact O-N 3.23Å; A358-V361 HydrophobicContact CB-CB 4.22Å; A358-V361 HydrophobicContact CB-CG2 3.8Å; A358-V361 WeakPolarHBondContact O-CB 3.36Å; A358-V361 PolarHBondContact O-N 3.49Å; A358-E362 PolarHBondContact O-N 3.43Å
359Y83.4Confident88.7Confident149 Ų14941 Ų4158%0.58419%0.192SC*.Hα-helixtrans-53.8-40.6178.6178.7-100.1000112.7V361 E362 Q363Y359-V361 VanDerWaalsContact C-N 3.26Å; Y359-V361 PolarHBondContact O-N 3.12Å; Y359-E362 PolarHBondContact O-N 2.92Å; Y359-Q363 HydrophobicContact CD1-CG 3.88Å; Y359-Q363 HydrophobicContact CD2-CG 4.06Å; Y359-Q363 HydrophobicContact CE1-CG 3.44Å; Y359-Q363 VanDerWaalsContact CE1-CG 3.44Å; Y359-Q363 HydrophobicContact CE2-CG 3.65Å; Y359-Q363 HydrophobicContact CG-CG 4.18Å; Y359-Q363 WeakPolarHBondContact O-CB 3.42Å; Y359-Q363 WeakPolarHBondContact O-CG 3.44Å; Y359-Q363 PolarHBondContact O-N 3.06Å
360D83.5Confident88.3Confident68 Ų6843 Ų4336%0.36421%0.209SC..Hα-helixtrans-63.7-30.9179.4-77.3-17.2000112.8A358 W364A358-D360 PolarHBondContact O-N 3.23Å; D360-W364 VanDerWaalsContact O-CB 3.28Å; D360-W364 WeakPolarHBondContact O-CB 3.35Å; D360-W364 PolarHBondContact O-N 3.45Å
361V86.6Confident88Confident3 Ų343.7 Ų43.72%0.01822%0.217CC..Hα-helixtrans-75.8-47.5174.7179.70000109.7L207 F325 M352 A358 Y359 Q363 W364 C365L207-V361 HydrophobicContact CD1-CG1 4.03Å; F325-V361 HydrophobicContact CB-CG2 3.9Å; F325-V361 HydrophobicContact CD1-CG2 4.21Å; F325-V361 HydrophobicContact CD2-CG2 4.11Å; F325-V361 HydrophobicContact CG-CG2 3.82Å; M352-V361 HydrophobicContact CE-CG1 4.39Å; A358-V361 HydrophobicContact CB-CB 4.22Å; A358-V361 HydrophobicContact CB-CG2 3.8Å; A358-V361 WeakPolarHBondContact O-CB 3.36Å; A358-V361 PolarHBondContact O-N 3.49Å; Y359-V361 VanDerWaalsContact C-N 3.26Å; Y359-V361 PolarHBondContact O-N 3.12Å; V361-Q363 PolarHBondContact O-N 3.45Å; V361-W364 PolarHBondContact O-N 3.06Å; V361-C365 WeakPolarHBondContact O-CB 3.13Å; V361-C365 PolarHBondContact O-N 3.3Å; V361-C365 PolarHBondContact O-SG 3.03Å
362E89Confident87.8Confident13 Ų1345 Ų456%0.06122%0.224CC..Hα-helixtrans-57.8-48.6179.1-173.3-163.4-178.100112.2L207 F357 A358 Y359 W364 C365 K366L207-E362 HydrophobicContact CD2-CB 4.1Å; L207-E362 HydrophobicContact CD2-CG 4.12Å; F357-E362 VanDerWaalsContact CE1-OE2 3.28Å; F357-E362 WeakPolarHBondContact CE1-OE2 3.18Å; F357-E362 HydrophobicContact CZ-CB 4.5Å; F357-E362 HydrophobicContact CZ-CG 4.17Å; F357-E362 WeakPolarHBondContact CZ-OE2 3.49Å; A358-E362 PolarHBondContact O-N 3.43Å; Y359-E362 PolarHBondContact O-N 2.92Å; E362-W364 VanDerWaalsContact C-N 3.32Å; E362-W364 PolarHBondContact O-N 2.64Å; E362-C365 PolarHBondContact O-N 3.27Å; E362-K366 HydrophobicContact CG-CD 4.26Å; E362-K366 WeakPolarHBondContact O-CG 3.2Å; E362-K366 PolarHBondContact O-N 3.16Å; E362-K366 WeakPolarHBondContact OE1-CE 3.39Å; E362-K366 IonicContact OE1-NZ 3.13Å; E362-K366 PolarHBondContact OE1-NZ 3.26Å
363Q88.7Confident87.8Confident61 Ų6145 Ų4529%0.28522%0.224SC..Hα-helixtrans-62.5-42.1177.8-70.4-55.8-58.200111.6Y359 V361 C365 K366 L367Y359-Q363 HydrophobicContact CD1-CG 3.88Å; Y359-Q363 HydrophobicContact CD2-CG 4.06Å; Y359-Q363 HydrophobicContact CE1-CG 3.44Å; Y359-Q363 VanDerWaalsContact CE1-CG 3.44Å; Y359-Q363 HydrophobicContact CE2-CG 3.65Å; Y359-Q363 HydrophobicContact CG-CG 4.18Å; Y359-Q363 WeakPolarHBondContact O-CB 3.42Å; Y359-Q363 WeakPolarHBondContact O-CG 3.44Å; Y359-Q363 PolarHBondContact O-N 3.06Å; V361-Q363 PolarHBondContact O-N 3.45Å; Q363-C365 VanDerWaalsContact C-N 3.35Å; Q363-K366 PolarHBondContact O-N 3.03Å; Q363-L367 WeakPolarHBondContact O-CB 3.5Å; Q363-L367 VanDerWaalsContact O-CG 3.26Å; Q363-L367 WeakPolarHBondContact O-CG 3.47Å; Q363-L367 PolarHBondContact O-N 3.36Å; Q363-L367 VanDerWaalsContact O-N 3.11Å
364W89.6Confident87.9Confident23 Ų2345.5 Ų45.59%0.08723%0.228CC..Hα-helixtrans-63.6-44177.8-173.991.9000111.3F325 L336 F340 M352 D360 V361 E362 L367 N368F325-W364 HydrophobicContact CE1-CB 3.62Å; F325-W364 AromaticContact CE1-CD1 3.89Å; F325-W364 AromaticContact CE1-CD2 3.8Å; F325-W364 HydrophobicContact CE1-CD2 3.8Å; F325-W364 HydrophobicContact CE1-CE3 4.31Å; F325-W364 AromaticContact CE1-CG 3.46Å; F325-W364 HydrophobicContact CE1-CG 3.46Å; F325-W364 VanDerWaalsContact CE1-CG 3.46Å; F325-W364 HydrophobicContact CZ-CB 4.27Å; F325-W364 AromaticContact CZ-CD2 3.65Å; F325-W364 HydrophobicContact CZ-CD2 3.65Å; F325-W364 AromaticContact CZ-CE3 3.8Å; F325-W364 HydrophobicContact CZ-CE3 3.8Å; F325-W364 AromaticContact CZ-CG 3.86Å; F325-W364 HydrophobicContact CZ-CG 3.86Å; F325-W364 HydrophobicContact CZ-CZ3 4.42Å; L336-W364 HydrophobicContact CD2-CH2 3.25Å; L336-W364 HydrophobicContact CD2-CZ2 3.64Å; L336-W364 HydrophobicContact CD2-CZ3 3.78Å; L336-W364 HydrophobicContact CG-CH2 3.93Å; L336-W364 HydrophobicContact CG-CZ2 4.19Å; F340-W364 HydrophobicContact CD2-CH2 4.35Å; F340-W364 AromaticContact CE2-CH2 3.41Å; F340-W364 HydrophobicContact CE2-CH2 3.41Å; F340-W364 VanDerWaalsContact CE2-CH2 3.41Å; F340-W364 HydrophobicContact CE2-CZ2 4.22Å; F340-W364 HydrophobicContact CE2-CZ3 4.25Å; F340-W364 AromaticContact CZ-CH2 3.52Å; F340-W364 HydrophobicContact CZ-CH2 3.52Å; F340-W364 HydrophobicContact CZ-CZ3 4.16Å; M352-W364 HydrophobicContact CE-CZ3 4.31Å; D360-W364 VanDerWaalsContact O-CB 3.28Å; D360-W364 WeakPolarHBondContact O-CB 3.35Å; D360-W364 PolarHBondContact O-N 3.45Å; V361-W364 PolarHBondContact O-N 3.06Å; E362-W364 VanDerWaalsContact C-N 3.32Å; E362-W364 PolarHBondContact O-N 2.64Å; W364-L367 PolarHBondContact O-N 3.46Å; W364-N368 HydrophobicContact CD2-CB 4.37Å; W364-N368 HydrophobicContact CE3-CB 4.41Å; W364-N368 HydrophobicContact CH2-CB 4.1Å; W364-N368 HydrophobicContact CZ2-CB 4.04Å; W364-N368 HydrophobicContact CZ3-CB 4.28Å; W364-N368 PolarHBondContact NE1-ND2 3.23Å; W364-N368 WeakPolarHBondContact O-CB 3.19Å; W364-N368 PolarHBondContact O-N 3.4Å; W364-N368 PolarHBondContact O-ND2 3.03Å
365C90.5Very high88Confident0 Ų045.5 Ų45.50%023%0.227CC..Hα-helixtrans-58.4-49.6175.4-710000111.6L207 V361 E362 Q363 L367 N368 L369 I372L207-C365 HydrophobicContact CD2-CB 4.48Å; V361-C365 WeakPolarHBondContact O-CB 3.13Å; V361-C365 PolarHBondContact O-N 3.3Å; V361-C365 PolarHBondContact O-SG 3.03Å; E362-C365 PolarHBondContact O-N 3.27Å; Q363-C365 VanDerWaalsContact C-N 3.35Å; C365-L367 PolarHBondContact O-N 3.3Å; C365-N368 PolarHBondContact O-N 2.87Å; C365-L369 HydrophobicContact CB-CD1 4.08Å; C365-L369 WeakPolarHBondContact O-CA 3.23Å; C365-L369 WeakPolarHBondContact O-CB 3.49Å; C365-L369 PolarHBondContact O-N 3.02Å; C365-I372 HydrophobicContact CB-CD1 3.56Å
366K89.7Confident88.5Confident113 Ų11345.8 Ų45.849%0.49123%0.229SC..Hα-helixtrans-59.5-28.7178.6-75.3174.9170.4173.70113.9E362 Q363E362-K366 HydrophobicContact CG-CD 4.26Å; E362-K366 WeakPolarHBondContact O-CG 3.2Å; E362-K366 PolarHBondContact O-N 3.16Å; E362-K366 WeakPolarHBondContact OE1-CE 3.39Å; E362-K366 IonicContact OE1-NZ 3.13Å; E362-K366 PolarHBondContact OE1-NZ 3.26Å; Q363-K366 PolarHBondContact O-N 3.03Å
367L89.7Confident88.9Confident138 Ų13846.9 Ų46.972%0.72323%0.234SC*.Hα-helixtrans-87.5-24.4-179.8-70.8170.3000113.9Q363 W364 C365Q363-L367 WeakPolarHBondContact O-CB 3.5Å; Q363-L367 VanDerWaalsContact O-CG 3.26Å; Q363-L367 WeakPolarHBondContact O-CG 3.47Å; Q363-L367 PolarHBondContact O-N 3.36Å; Q363-L367 VanDerWaalsContact O-N 3.11Å; W364-L367 PolarHBondContact O-N 3.46Å; C365-L367 PolarHBondContact O-N 3.3Å
368N89Confident89.1Confident76 Ų7646.6 Ų46.641%0.40624%0.238SC..Hα-helixtrans-119.9-14.2-169.4-64.8-91.5000114.1R350 W364 C365R350-N368 PolarHBondContact NH1-O 3.13Å; W364-N368 HydrophobicContact CD2-CB 4.37Å; W364-N368 HydrophobicContact CE3-CB 4.41Å; W364-N368 HydrophobicContact CH2-CB 4.1Å; W364-N368 HydrophobicContact CZ2-CB 4.04Å; W364-N368 HydrophobicContact CZ3-CB 4.28Å; W364-N368 PolarHBondContact NE1-ND2 3.23Å; W364-N368 WeakPolarHBondContact O-CB 3.19Å; W364-N368 PolarHBondContact O-N 3.4Å; W364-N368 PolarHBondContact O-ND2 3.03Å; C365-N368 PolarHBondContact O-N 2.87Å
369L90Very high88.7Confident12 Ų1248.6 Ų48.66%0.06325%0.254CS..SBendtrans-114.6140.9-177.8-57.9-174.9000109.4E205 F340 R350 M352 C365 I372E205-L369 VanDerWaalsContact OE2-CA 3.23Å; E205-L369 WeakPolarHBondContact OE2-CA 3.48Å; E205-L369 WeakPolarHBondContact OE2-CB 3.43Å; F340-L369 HydrophobicContact CE2-CD2 4.09Å; F340-L369 HydrophobicContact CZ-CD2 4.28Å; R350-L369 HydrophobicContact CB-CD1 4.45Å; R350-L369 HydrophobicContact CB-CD2 3.78Å; R350-L369 VanDerWaalsContact CD-CD2 3.47Å; R350-L369 HydrophobicContact CG-CD2 4.21Å; M352-L369 HydrophobicContact CG-CD1 4.13Å; C365-L369 HydrophobicContact CB-CD1 4.08Å; C365-L369 WeakPolarHBondContact O-CA 3.23Å; C365-L369 WeakPolarHBondContact O-CB 3.49Å; C365-L369 PolarHBondContact O-N 3.02Å; L369-I372 HydrophobicContact CB-CB 4.34Å; L369-I372 HydrophobicContact CB-CD1 4.24Å; L369-I372 HydrophobicContact CD1-CD1 3.67Å
370D85.8Confident88Confident131 Ų13147.4 Ų47.470%0.70125%0.249SC*.SBendtrans-92134.8-175.9-175.730.1000110.8E205 I372E205-D370 PolarHBondContact OE2-N 3.08Å; D370-I372 PolarHBondContact O-N 3.44Å
371N89.4Confident86.9Confident68 Ų6846.9 Ų46.936%0.36425%0.246SC..SBendtrans37.150179.8-16610.2000114.6T155 R204T155-N371 PolarHBondContact OG1-ND2 3.46Å; T155-N371 PolarHBondContact OG1-OD1 3.3Å; R204-N371 PolarHBondContact NH2-ND2 2.91Å; R204-N371 VanDerWaalsContact NH2-ND2 3.14Å; R204-N371 PolarHBondContact NH2-O 3.27Å; R204-N371 PolarHBondContact NH2-OD1 3.04Å; R204-N371 VanDerWaalsContact NH2-OD1 3.16Å
372I94.2Very high85.6Confident28 Ų2847.8 Ų47.814%0.14425%0.253CS..PPolyproline II helixtrans-66.7134.3-173.8-169.4174.4000112.5E205 L207 C365 L369 D370E205-I372 HydrophobicContact CB-CG1 4.39Å; L207-I372 HydrophobicContact CB-CD1 3.63Å; L207-I372 HydrophobicContact CB-CG1 4.32Å; C365-I372 HydrophobicContact CB-CD1 3.56Å; L369-I372 HydrophobicContact CB-CB 4.34Å; L369-I372 HydrophobicContact CB-CD1 4.24Å; L369-I372 HydrophobicContact CD1-CD1 3.67Å; D370-I372 PolarHBondContact O-N 3.44Å
373V95.7Very high84.4Confident0 Ų047.4 Ų47.40%025%0.251CS..EExtended strand (participates in β ladder)trans-90.1126.8169.5179.20000109.1V152 Q153 L157 V199 R204 E205 L206 L207 V375V152-V373 HydrophobicContact CG1-CG1 3.88Å; Q153-V373 CarbonylContact O-C 3.54Å; Q153-V373 WeakPolarHBondContact O-CA 3.4Å; L157-V373 HydrophobicContact CD2-CG1 3.75Å; L157-V373 HydrophobicContact CD2-CG2 4.13Å; V199-V373 HydrophobicContact CG1-CB 3.84Å; V199-V373 HydrophobicContact CG1-CG1 4.02Å; V199-V373 HydrophobicContact CG1-CG2 4.13Å; V199-V373 HydrophobicContact CG2-CG1 4.02Å; R204-V373 HydrophobicContact CB-CG2 4.24Å; E205-V373 PolarHBondContact O-N 3.4Å; L206-V373 CarbonylContact C-O 3.48Å; L206-V373 WeakPolarHBondContact CA-O 3.27Å; L207-V373 PolarHBondContact N-O 3.23Å; V373-V375 HydrophobicContact CG1-CG2 4.17Å
374S95.1Very high83.4Confident12 Ų1246.3 Ų46.38%0.08425%0.249CC..EExtended strand (participates in β ladder)trans-103121174.6176.10000110.2V152 Q153 L207V152-S374 CarbonylContact C-O 3.57Å; V152-S374 WeakPolarHBondContact CA-O 3.22Å; Q153-S374 PolarHBondContact N-O 3.4Å; Q153-S374 PolarHBondContact O-N 2.76Å; L207-S374 CarbonylContact O-C 3.54Å; L207-S374 WeakPolarHBondContact O-CA 3.22Å
375V94.9Very high82.7Confident0 Ų051.1 Ų51.10%027%0.272CS..EExtended strand (participates in β ladder)trans-114.4123.9175.5-179.20000108.6I150 H151 V152 I192 Q195 L206 L207 A208 S209 V373 I377I150-V375 HydrophobicContact CG2-CG1 4.28Å; H151-V375 WeakPolarHBondContact O-CA 3.43Å; V152-V375 HydrophobicContact CG1-CG2 4.23Å; I192-V375 HydrophobicContact CD1-CB 4.45Å; I192-V375 HydrophobicContact CD1-CG1 3.82Å; Q195-V375 HydrophobicContact CB-CG1 4.06Å; Q195-V375 HydrophobicContact CG-CG1 3.95Å; Q195-V375 HydrophobicContact CG-CG2 3.83Å; L206-V375 HydrophobicContact CD1-CB 4.08Å; L206-V375 HydrophobicContact CD1-CG2 3.58Å; L207-V375 PolarHBondContact O-N 2.89Å; A208-V375 CarbonylContact C-O 3.56Å; A208-V375 WeakPolarHBondContact CA-O 3.45Å; S209-V375 PolarHBondContact N-O 3.39Å; V373-V375 HydrophobicContact CG1-CG2 4.17Å; V375-I377 HydrophobicContact CG1-CD1 4.27Å
376S92.7Very high82.3Confident15 Ų1553.4 Ų53.411%0.10529%0.286CS..EExtended strand (participates in β ladder)trans-128.7131.6175.260.80000112.2H151 S209H151-S376 WeakPolarHBondContact CB-OG 3.48Å; H151-S376 PolarHBondContact N-O 3.39Å; H151-S376 PolarHBondContact O-N 2.88Å; S209-S376 VanDerWaalsContact O-CA 3.3Å; S209-S376 WeakPolarHBondContact O-CA 3.29Å
377I90.3Very high82.1Confident28 Ų2848.2 Ų48.214%0.14426%0.264CS..EExtended strand (participates in β ladder)trans-102127.3179.6-51.6-54.9000110.3I150 P191 I192 S209 A210 V375I150-I377 HydrophobicContact CB-CD1 4.19Å; I150-I377 HydrophobicContact CG1-CD1 3.87Å; I150-I377 HydrophobicContact CG2-CD1 4.03Å; P191-I377 HydrophobicContact CB-CD1 4.04Å; P191-I377 HydrophobicContact CB-CG2 3.95Å; I192-I377 HydrophobicContact CB-CD1 4.36Å; I192-I377 HydrophobicContact CB-CG1 3.81Å; I192-I377 HydrophobicContact CD1-CD1 4.27Å; I192-I377 HydrophobicContact CD1-CG1 3.89Å; I192-I377 HydrophobicContact CG1-CG1 4.4Å; S209-I377 PolarHBondContact O-N 2.77Å; A210-I377 HydrophobicContact CB-CB 4.02Å; A210-I377 HydrophobicContact CB-CG1 3.83Å; V375-I377 HydrophobicContact CG1-CD1 4.27Å
378G83.4Confident82.2Confident17 Ų1746.7 Ų46.718%0.17525%0.253CS..SBendtrans75.3-168.1-179.400000113.5K149K149-G378 PolarHBondContact O-N 3.36Å
379A71.7Confident82.4Confident66 Ų6643.4 Ų43.455%0.54524%0.235SC..SBendtrans-70.9142.9176.200000111N381 S382A379-N381 PolarHBondContact O-N 3.19Å; A379-N381 VanDerWaalsContact O-N 3.14Å; A379-S382 PolarHBondContact O-N 3.24Å; A379-S382 VanDerWaalsContact O-N 3.17Å
380R67.8Low82.5Confident124 Ų12446.4 Ų46.447%0.46825%0.249SC..THydrogen-bonded Turntrans-57120.4178.2-71-176.8172.2-169.4-6.6110F357 S382F357-R380 HydrophobicContact CG-CG 4.39Å; R380-S382 VanDerWaalsContact C-N 3.27Å; R380-S382 PolarHBondContact O-N 3.03Å
381N60.8Low82.9Confident57 Ų5741.5 Ų41.531%0.30522%0.222SC..THydrogen-bonded Turntrans63.820.8178.5-56.9-40.5000116F357 A379F357-N381 PolarHBondContact N-OD1 3.32Å; F357-N381 PolarHBondContact O-ND2 3.01Å; F357-N381 PolarHBondContact O-OD1 2.99Å; A379-N381 PolarHBondContact O-N 3.19Å; A379-N381 VanDerWaalsContact O-N 3.14Å
382S60.7Low83.1Confident22 Ų2240.8 Ų40.815%0.15422%0.218CC..PPolyproline II helixtrans-71.4135.1171.8-1730000111A379 R380A379-S382 PolarHBondContact O-N 3.24Å; A379-S382 VanDerWaalsContact O-N 3.17Å; R380-S382 VanDerWaalsContact C-N 3.27Å; R380-S382 PolarHBondContact O-N 3.03Å
383A62.4Low83.1Confident4 Ų444 Ų443%0.03323%0.232CC..PPolyproline II helixtrans-64.4168.3161.200000110.5E385 I501 V531 A535A383-E385 PolarHBondContact O-N 3.39Å; A383-I501 HydrophobicContact CB-CD1 3.55Å; A383-V531 HydrophobicContact CB-CG1 3.75Å; A383-A535 HydrophobicContact CB-CB 4.22Å
384V68.5Low83Confident38 Ų3845 Ų4523%0.2324%0.238CC..PPolyproline II helixtrans-66.3120.4174.9-169.80000108.4P211 T386 V387P211-V384 HydrophobicContact CB-CG2 4.45Å; V384-T386 HydrophobicContact CG1-CG2 4.4Å; V384-T386 WeakPolarHBondContact CG1-OG1 3.44Å; V384-T386 PolarHBondContact O-N 3.41Å; V384-V387 HydrophobicContact CB-CG2 4.21Å; V384-V387 PolarHBondContact O-N 3.13Å; V384-V387 VanDerWaalsContact O-N 3.1Å
385E74.8Confident82.8Confident125 Ų12545.7 Ų45.758%0.58425%0.246SC*.THydrogen-bonded Turntrans-57-19.6-179-64.5169-166.500112.8K149 A383 V387K149-E385 IonicContact NZ-OE1 3.67Å; K149-E385 PolarHBondContact NZ-OE1 3.14Å; K149-E385 IonicContact NZ-OE2 2.68Å; K149-E385 PolarHBondContact NZ-OE2 2.98Å; A383-E385 PolarHBondContact O-N 3.39Å; E385-V387 VanDerWaalsContact C-N 3.31Å; E385-V387 PolarHBondContact O-N 3.43Å
386T81.1Confident82.7Confident48 Ų4848.1 Ų48.129%0.29426%0.263SS..THydrogen-bonded Turntrans-81.4-3.518062.80000114.5V384 G505 N509 R510 G511V384-T386 HydrophobicContact CG1-CG2 4.4Å; V384-T386 WeakPolarHBondContact CG1-OG1 3.44Å; V384-T386 PolarHBondContact O-N 3.41Å; T386-G505 PolarHBondContact OG1-O 3.17Å; T386-N509 WeakPolarHBondContact CB-O 3.28Å; T386-N509 PolarHBondContact OG1-O 3.1Å; T386-R510 WeakPolarHBondContact O-CA 3.32Å; T386-G511 PolarHBondContact O-N 2.95Å; T386-G511 VanDerWaalsContact O-N 3.11Å
387V86.9Confident82.6Confident3 Ų348.1 Ų48.12%0.01826%0.262CS..EExtended strand (participates in β ladder)trans-104.2113-178.6-175.50000110.3V384 E385 Q389 I501 T504 G511 A513V384-V387 HydrophobicContact CB-CG2 4.21Å; V384-V387 PolarHBondContact O-N 3.13Å; V384-V387 VanDerWaalsContact O-N 3.1Å; E385-V387 VanDerWaalsContact C-N 3.31Å; E385-V387 PolarHBondContact O-N 3.43Å; V387-Q389 HydrophobicContact CG1-CG 4.21Å; V387-Q389 PolarHBondContact O-N 2.93Å; V387-Q389 PolarHBondContact O-NE2 3.48Å; V387-Q389 VanDerWaalsContact O-NE2 3.13Å; V387-I501 HydrophobicContact CG1-CB 4.41Å; V387-T504 HydrophobicContact CG1-CG2 3.7Å; V387-T504 HydrophobicContact CG2-CG2 3.99Å; V387-G511 CarbonylContact C-O 3.51Å; V387-G511 WeakPolarHBondContact CA-O 3.33Å; V387-A513 HydrophobicContact CG1-CB 3.83Å
388E91.1Very high82.6Confident107 Ų10751.6 Ų51.650%0.528%0.284SS..EExtended strand (participates in β ladder)trans-65.3125.8167.9-173.6-167.1140.100109G511 K512 A513E388-G511 PolarHBondContact N-O 3.39Å; E388-K512 CarbonylContact O-C 3.57Å; E388-K512 WeakPolarHBondContact O-CA 3.49Å; E388-K512 IonicContact OE1-NZ 3.88Å; E388-K512 PolarHBondContact OE1-NZ 3.44Å; E388-A513 PolarHBondContact O-N 2.96Å
389Q92.9Very high83.1Confident6 Ų651.5 Ų51.53%0.02828%0.283CS..EExtended strand (participates in β ladder)trans-120.5127.6-173.6-71.2159.578.100110.4V387 Y497 I501 A513 I532 A535 C537V387-Q389 HydrophobicContact CG1-CG 4.21Å; V387-Q389 PolarHBondContact O-N 2.93Å; V387-Q389 PolarHBondContact O-NE2 3.48Å; V387-Q389 VanDerWaalsContact O-NE2 3.13Å; Q389-Y497 WeakPolarHBondContact CG-OH 3.32Å; Q389-Y497 PolarHBondContact OE1-OH 3.15Å; Q389-Y497 VanDerWaalsContact OE1-OH 3.1Å; Q389-I501 HydrophobicContact CG-CD1 4.16Å; Q389-A513 WeakPolarHBondContact CA-O 3.47Å; Q389-A513 HydrophobicContact CG-CB 4.35Å; Q389-I532 HydrophobicContact CB-CD1 4.48Å; Q389-I532 HydrophobicContact CB-CG1 4.08Å; Q389-I532 HydrophobicContact CB-CG2 4.06Å; Q389-A535 VanDerWaalsContact NE2-CB 3.26Å; Q389-C537 HydrophobicContact CB-CB 4.26Å
390E92.5Very high84.2Confident75 Ų7548.3 Ų48.335%0.3526%0.257SS..EExtended strand (participates in β ladder)trans-126.7131.9-177.3-170.9-179.7160.100110.6K512 A513 V514 T515E390-K512 VanDerWaalsContact OE2-CE 3.23Å; E390-K512 WeakPolarHBondContact OE2-CE 3.04Å; E390-K512 IonicContact OE2-NZ 2.7Å; E390-K512 PolarHBondContact OE2-NZ 3.34Å; E390-A513 PolarHBondContact N-O 2.8Å; E390-V514 HydrophobicContact CB-CG2 4.33Å; E390-T515 PolarHBondContact O-N 2.83Å
391L93.6Very high85.4Confident28 Ų2843 Ų4315%0.14724%0.238CC..EExtended strand (participates in β ladder)trans-100.3120.1170.8-71.5173.1000108.9F490 T515 F517 L525 V528 I532 I543L391-F490 HydrophobicContact CD2-CE2 4.27Å; L391-T515 HydrophobicContact CD2-CG2 4.15Å; L391-F517 HydrophobicContact CB-CD1 4.2Å; L391-F517 HydrophobicContact CB-CE1 3.85Å; L391-F517 HydrophobicContact CD2-CD1 4.44Å; L391-L525 HydrophobicContact CD1-CD1 4.12Å; L391-L525 HydrophobicContact CD2-CD1 4.16Å; L391-V528 HydrophobicContact CD2-CG1 4.43Å; L391-I532 HydrophobicContact CD1-CD1 3.81Å; L391-I532 HydrophobicContact CD2-CD1 3.74Å; L391-I532 HydrophobicContact CG-CD1 3.52Å; L391-I543 HydrophobicContact CD1-CD1 3.8Å
392L94.1Very high86.9Confident53 Ų5345.9 Ų45.928%0.27725%0.253SS..EExtended strand (participates in β ladder)trans-111.7115.5177.4-175.866.5000110.2V394 A403 V514 T515 F516 F517L392-V394 HydrophobicContact CD2-CG1 4.18Å; L392-V394 HydrophobicContact CG-CG1 4.1Å; L392-A403 HydrophobicContact CD2-CB 3.87Å; L392-V514 HydrophobicContact CB-CG1 4.32Å; L392-T515 PolarHBondContact N-O 2.82Å; L392-F516 HydrophobicContact CB-CD1 4.04Å; L392-F516 HydrophobicContact CB-CE1 4.44Å; L392-F516 HydrophobicContact CD2-CD1 3.87Å; L392-F516 HydrophobicContact CD2-CE1 3.59Å; L392-F516 HydrophobicContact CD2-CZ 4.47Å; L392-F516 HydrophobicContact CG-CD1 4.43Å; L392-F516 WeakPolarHBondContact O-CA 3.39Å; L392-F517 VanDerWaalsContact C-CD1 3.49Å; L392-F517 VanDerWaalsContact C-CE1 3.42Å; L392-F517 VanDerWaalsContact O-CD1 3.23Å; L392-F517 WeakPolarHBondContact O-CD1 3.34Å; L392-F517 PolarHBondContact O-N 3.38Å
393F94.3Very high88.6Confident97 Ų9745.3 Ų45.343%0.42525%0.249SC..EExtended strand (participates in β ladder)trans-76.7127.4172.5-177-125000109.3F517 E519F393-F517 HydrophobicContact CB-CE1 3.8Å; F393-F517 HydrophobicContact CB-CE2 3.91Å; F393-F517 HydrophobicContact CB-CZ 3.45Å; F393-F517 VanDerWaalsContact CB-CZ 3.45Å; F393-F517 AromaticContact CD2-CD2 3.77Å; F393-F517 HydrophobicContact CD2-CD2 3.77Å; F393-F517 AromaticContact CD2-CE2 3.41Å; F393-F517 HydrophobicContact CD2-CE2 3.41Å; F393-F517 VanDerWaalsContact CD2-CE2 3.41Å; F393-F517 AromaticContact CD2-CZ 3.93Å; F393-F517 HydrophobicContact CD2-CZ 3.93Å; F393-F517 WeakPolarHBondContact CD2-O 3.43Å; F393-F517 HydrophobicContact CE2-CE2 4.31Å; F393-F517 HydrophobicContact CG-CE2 4.02Å; F393-F517 HydrophobicContact CG-CZ 4.06Å; F393-F517 VanDerWaalsContact N-CE1 3.26Å; F393-E519 HydrophobicContact CE2-CG 4.09Å; F393-E519 HydrophobicContact CZ-CG 3.98Å
394V93.6Very high90.1Very high20 Ų2045.1 Ų45.112%0.12125%0.248CC..  trans-118.77-177.9-60.80000113.3L392 S396 G399 K400 A403 F516 F517 T518L392-V394 HydrophobicContact CD2-CG1 4.18Å; L392-V394 HydrophobicContact CG-CG1 4.1Å; V394-S396 VanDerWaalsContact C-N 3.25Å; V394-S396 PolarHBondContact O-N 3.12Å; V394-G399 WeakPolarHBondContact O-CA 3.37Å; V394-K400 HydrophobicContact CG2-CB 4.45Å; V394-K400 HydrophobicContact CG2-CG 3.56Å; V394-A403 HydrophobicContact CG1-CB 3.71Å; V394-F516 HydrophobicContact CG1-CB 4.3Å; V394-F516 HydrophobicContact CG1-CD1 4.43Å; V394-F516 HydrophobicContact CG1-CG 4.27Å; V394-F516 HydrophobicContact CG2-CB 4.43Å; V394-F517 WeakPolarHBondContact CG2-O 3.24Å; V394-F517 PolarHBondContact N-O 3.43Å; V394-F517 VanDerWaalsContact N-O 3.09Å; V394-T518 HydrophobicContact CG2-CG2 3.95Å
395G91.1Very high91.2Very high26 Ų2645.9 Ų45.927%0.26825%0.246SC..SBendtrans72.5-74.9-178.900000112.7E519G395-E519 PolarHBondContact O-N 3.12Å
396S92.4Very high92Very high51 Ų5144.3 Ų44.336%0.35724%0.239SC..SBendtrans-123.3173.2-172.562.80000112.5V394 T398 G399V394-S396 VanDerWaalsContact C-N 3.25Å; V394-S396 PolarHBondContact O-N 3.12Å; S396-T398 VanDerWaalsContact C-N 3.28Å; S396-T398 PolarHBondContact O-N 3.42Å; S396-T398 PolarHBondContact OG-OG1 3.45Å; S396-G399 PolarHBondContact O-N 3.36Å; S396-G399 PolarHBondContact OG-N 3.46Å
397E91.3Very high92.5Very high16 Ų1643.9 Ų43.98%0.07524%0.235CC..Hα-helixtrans-61-36.2172.8-69.9-65.1136.700112.3G399 K400 R425 R564 E565E397-G399 VanDerWaalsContact C-N 3.3Å; E397-G399 PolarHBondContact O-N 2.88Å; E397-K400 WeakPolarHBondContact O-CB 3.46Å; E397-K400 PolarHBondContact O-N 2.78Å; E397-K400 WeakPolarHBondContact OE1-CE 3.3Å; E397-K400 IonicContact OE1-NZ 3.26Å; E397-K400 PolarHBondContact OE1-NZ 3.1Å; E397-K400 IonicContact OE2-NZ 3.37Å; E397-K400 PolarHBondContact OE2-NZ 3.07Å; E397-R425 IonicContact OE2-CZ 3.55Å; E397-R425 IonicContact OE2-NH1 2.66Å; E397-R425 IonicContact OE2-NH2 3.73Å; E397-R425 PolarHBondContact OE2-NH2 3.02Å; E397-R564 IonicContact OE1-CZ 2.69Å; E397-R564 IonicContact OE1-NH1 2.61Å; E397-R564 PolarHBondContact OE1-NH1 2.91Å; E397-E565 HydrophobicContact CB-CB 4.15Å; E397-E565 HydrophobicContact CG-CB 4.32Å
398T90.1Very high92.7Very high100 Ų10043.7 Ų43.761%0.61323%0.234SC*.Hα-helixtrans-64-35174.751.70000112.5S396 K400 L401 L402S396-T398 VanDerWaalsContact C-N 3.28Å; S396-T398 PolarHBondContact O-N 3.42Å; S396-T398 PolarHBondContact OG-OG1 3.45Å; T398-K400 VanDerWaalsContact C-N 3.26Å; T398-K400 PolarHBondContact O-N 3.43Å; T398-L401 PolarHBondContact O-N 3.33Å; T398-L402 PolarHBondContact O-N 3.01Å
399G92.9Very high92.6Very high15 Ų1545.2 Ų45.216%0.15524%0.238CC..Hα-helixtrans-63-28.3176.200000113.8V394 S396 E397 L401 L402 A403V394-G399 WeakPolarHBondContact O-CA 3.37Å; S396-G399 PolarHBondContact O-N 3.36Å; S396-G399 PolarHBondContact OG-N 3.46Å; E397-G399 VanDerWaalsContact C-N 3.3Å; E397-G399 PolarHBondContact O-N 2.88Å; G399-L401 PolarHBondContact O-N 3.35Å; G399-L402 PolarHBondContact O-N 3.22Å; G399-A403 WeakPolarHBondContact O-CB 3.5Å; G399-A403 PolarHBondContact O-N 2.74Å
400K94.7Very high92.4Very high0 Ų052.1 Ų52.10%027%0.268CS..Hα-helixtrans-60.8-42.6175.4-67.6175.7171.3171.90112.5V394 E397 T398 A403 M404 Y488 D489 F516V394-K400 HydrophobicContact CG2-CB 4.45Å; V394-K400 HydrophobicContact CG2-CG 3.56Å; E397-K400 WeakPolarHBondContact O-CB 3.46Å; E397-K400 PolarHBondContact O-N 2.78Å; E397-K400 WeakPolarHBondContact OE1-CE 3.3Å; E397-K400 IonicContact OE1-NZ 3.26Å; E397-K400 PolarHBondContact OE1-NZ 3.1Å; E397-K400 IonicContact OE2-NZ 3.37Å; E397-K400 PolarHBondContact OE2-NZ 3.07Å; T398-K400 VanDerWaalsContact C-N 3.26Å; T398-K400 PolarHBondContact O-N 3.43Å; K400-A403 PolarHBondContact O-N 3.09Å; K400-M404 WeakPolarHBondContact O-CB 3.47Å; K400-M404 PolarHBondContact O-N 3.3Å; K400-Y488 HydrophobicContact CB-CD2 4.4Å; K400-Y488 HydrophobicContact CB-CE1 3.83Å; K400-Y488 HydrophobicContact CB-CE2 3.73Å; K400-Y488 WeakPolarHBondContact CB-OH 3.47Å; K400-Y488 HydrophobicContact CD-CD1 4.08Å; K400-Y488 HydrophobicContact CD-CE1 3.74Å; K400-Y488 VanDerWaalsContact CD-O 3.31Å; K400-Y488 WeakPolarHBondContact CD-O 3.28Å; K400-Y488 VanDerWaalsContact CE-O 3.22Å; K400-Y488 WeakPolarHBondContact CE-O 3.49Å; K400-Y488 HydrophobicContact CG-CE1 4.43Å; K400-Y488 WeakPolarHBondContact O-CE2 3.23Å; K400-D489 IonicContact NZ-OD1 3.99Å; K400-D489 PolarHBondContact NZ-OD1 2.97Å; K400-F516 HydrophobicContact CB-CD2 4.08Å; K400-F516 HydrophobicContact CG-CB 4.27Å; K400-F516 HydrophobicContact CG-CD2 4.24Å; K400-F516 WeakPolarHBondContact O-CE2 3.3Å
401L93.4Very high92.2Very high13 Ų1349.6 Ų49.67%0.06826%0.263CS..Hα-helixtrans-67.2-40178.7-177.261.4000110.9T398 G399 M404 R405 L429 E432 Y488 I567 T569T398-L401 PolarHBondContact O-N 3.33Å; G399-L401 PolarHBondContact O-N 3.35Å; L401-M404 PolarHBondContact O-N 3.27Å; L401-R405 WeakPolarHBondContact O-CG 3.37Å; L401-R405 PolarHBondContact O-N 2.66Å; L401-L429 HydrophobicContact CD1-CD1 4.13Å; L401-E432 HydrophobicContact CD1-CB 3.91Å; L401-E432 HydrophobicContact CD1-CG 4.34Å; L401-E432 HydrophobicContact CD2-CB 4.43Å; L401-E432 HydrophobicContact CD2-CG 4.08Å; L401-Y488 PolarHBondContact N-OH 2.95Å; L401-I567 HydrophobicContact CD1-CG2 4.32Å; L401-I567 HydrophobicContact CD2-CG2 4.42Å; L401-T569 HydrophobicContact CD2-CG2 3.7Å
402L93.6Very high91.9Very high117 Ų11749 Ų4961%0.61326%0.259SS*.Hα-helixtrans-62.3-46175.2-176.461.7000111.6T398 G399 M404 R405 E406T398-L402 PolarHBondContact O-N 3.01Å; G399-L402 PolarHBondContact O-N 3.22Å; L402-M404 VanDerWaalsContact C-N 3.33Å; L402-M404 PolarHBondContact O-N 3.36Å; L402-R405 WeakPolarHBondContact O-CB 3.45Å; L402-R405 PolarHBondContact O-N 3.39Å; L402-E406 PolarHBondContact O-N 3.42Å
403A94.6Very high91.6Very high9 Ų950.2 Ų50.27%0.07427%0.266CS..Hα-helixtrans-61-41.2175.800000112L392 V394 G399 K400 E406 L407 F516L392-A403 HydrophobicContact CD2-CB 3.87Å; V394-A403 HydrophobicContact CG1-CB 3.71Å; G399-A403 WeakPolarHBondContact O-CB 3.5Å; G399-A403 PolarHBondContact O-N 2.74Å; K400-A403 PolarHBondContact O-N 3.09Å; A403-E406 PolarHBondContact O-N 3.36Å; A403-L407 WeakPolarHBondContact O-CG 3.4Å; A403-L407 PolarHBondContact O-N 3.22Å; A403-F516 HydrophobicContact CB-CE1 4.16Å; A403-F516 HydrophobicContact CB-CE2 4.03Å; A403-F516 HydrophobicContact CB-CZ 3.79Å
404M94Very high91.3Very high0 Ų047 Ų470%025%0.254CS..Hα-helixtrans-62-44.9174.6-172.363.4-166.400111.5K400 L401 L402 E406 L407 V408 V418 L433 V466 I486 Y488 F516K400-M404 WeakPolarHBondContact O-CB 3.47Å; K400-M404 PolarHBondContact O-N 3.3Å; L401-M404 PolarHBondContact O-N 3.27Å; L402-M404 VanDerWaalsContact C-N 3.33Å; L402-M404 PolarHBondContact O-N 3.36Å; M404-E406 VanDerWaalsContact C-N 3.31Å; M404-E406 PolarHBondContact O-N 3.17Å; M404-L407 PolarHBondContact O-N 2.7Å; M404-V408 HydrophobicContact CE-CG2 4.3Å; M404-V408 VanDerWaalsContact O-CG2 3.23Å; M404-V408 WeakPolarHBondContact O-CG2 3.29Å; M404-V408 PolarHBondContact O-N 3.27Å; M404-V418 HydrophobicContact CE-CG2 4.19Å; M404-L433 HydrophobicContact CE-CD1 3.85Å; M404-L433 HydrophobicContact CE-CD2 4.37Å; M404-L433 HydrophobicContact CG-CD1 4.34Å; M404-L433 HydrophobicContact CG-CD2 3.79Å; M404-V466 HydrophobicContact CE-CG1 4.33Å; M404-I486 HydrophobicContact CE-CD1 4Å; M404-I486 HydrophobicContact SD-CD1 3.76Å; M404-I486 HydrophobicContact SD-CG2 4.46Å; M404-Y488 HydrophobicContact CB-CD2 4.44Å; M404-Y488 HydrophobicContact CB-CE2 4.15Å; M404-F516 HydrophobicContact CB-CE2 4.24Å
405R91.8Very high91.3Very high55 Ų5547.4 Ų47.421%0.20826%0.258CS..Hα-helixtrans-61.4-39174.9-75.4176.9166.6138.712.6112L401 L402 V408 K409 E432 E436L401-R405 WeakPolarHBondContact O-CG 3.37Å; L401-R405 PolarHBondContact O-N 2.66Å; L402-R405 WeakPolarHBondContact O-CB 3.45Å; L402-R405 PolarHBondContact O-N 3.39Å; R405-V408 WeakPolarHBondContact O-CB 3.43Å; R405-V408 PolarHBondContact O-N 3.44Å; R405-K409 WeakPolarHBondContact O-CB 3.49Å; R405-K409 WeakPolarHBondContact O-CG 3.39Å; R405-K409 PolarHBondContact O-N 3.42Å; R405-E432 IonicContact CZ-OE2 3.79Å; R405-E432 IonicContact NH2-OE2 2.75Å; R405-E432 PolarHBondContact NH2-OE2 3.29Å; R405-E436 WeakPolarHBondContact CD-OE1 3.49Å; R405-E436 HydrophobicContact CG-CG 4.43Å; R405-E436 IonicContact CZ-OE1 3.32Å; R405-E436 IonicContact NE-OE1 2.79Å; R405-E436 PolarHBondContact NE-OE1 2.83Å; R405-E436 IonicContact NH2-OE1 3.22Å
406E92.4Very high91.4Very high92 Ų9246.2 Ų46.243%0.4325%0.245SC..Hα-helixtrans-64.9-42.6176.7-166-173.7158.100111.8L402 A403 M404 V408 K409 K410L402-E406 PolarHBondContact O-N 3.42Å; A403-E406 PolarHBondContact O-N 3.36Å; M404-E406 VanDerWaalsContact C-N 3.31Å; M404-E406 PolarHBondContact O-N 3.17Å; E406-V408 VanDerWaalsContact C-N 3.31Å; E406-V408 PolarHBondContact O-N 3.06Å; E406-K409 PolarHBondContact O-N 3.22Å; E406-K409 VanDerWaalsContact O-N 3.15Å; E406-K410 HydrophobicContact CG-CD 4.47Å; E406-K410 WeakPolarHBondContact O-CG 3.13Å; E406-K410 PolarHBondContact O-N 3.08Å; E406-K410 WeakPolarHBondContact OE1-CE 3.5Å; E406-K410 IonicContact OE1-NZ 2.88Å; E406-K410 PolarHBondContact OE1-NZ 3.19Å
407L92Very high91.5Very high38 Ų3843.8 Ų43.820%0.19923%0.228CC..Hα-helixtrans-59.8-41.6173.2-71.6176.5000111.8A403 M404 K409 G411 I486 F516A403-L407 WeakPolarHBondContact O-CG 3.4Å; A403-L407 PolarHBondContact O-N 3.22Å; M404-L407 PolarHBondContact O-N 2.7Å; L407-K409 VanDerWaalsContact C-N 3.34Å; L407-G411 PolarHBondContact O-N 3.49Å; L407-I486 HydrophobicContact CD1-CD1 3.88Å; L407-F516 HydrophobicContact CD1-CE1 4Å; L407-F516 HydrophobicContact CD1-CZ 3.69Å
408V89.6Confident91.7Very high0 Ų043 Ų430%022%0.224CC..Hα-helixtrans-64.3-38.71751730000111.5R27 F28 M404 R405 E406 G411 F412 I438R27-V408 PolarHBondContact NH2-O 3.38Å; F28-V408 HydrophobicContact CZ-CG1 4.39Å; M404-V408 HydrophobicContact CE-CG2 4.3Å; M404-V408 VanDerWaalsContact O-CG2 3.23Å; M404-V408 WeakPolarHBondContact O-CG2 3.29Å; M404-V408 PolarHBondContact O-N 3.27Å; R405-V408 WeakPolarHBondContact O-CB 3.43Å; R405-V408 PolarHBondContact O-N 3.44Å; E406-V408 VanDerWaalsContact C-N 3.31Å; E406-V408 PolarHBondContact O-N 3.06Å; V408-G411 PolarHBondContact O-N 3.16Å; V408-F412 HydrophobicContact CB-CE1 4.42Å; V408-F412 HydrophobicContact CG2-CE1 3.84Å; V408-I438 HydrophobicContact CB-CD1 4.04Å; V408-I438 HydrophobicContact CG1-CD1 3.47Å; V408-I438 VanDerWaalsContact CG1-CD1 3.47Å; V408-I438 HydrophobicContact CG1-CG1 3.75Å; V408-I438 HydrophobicContact CG2-CD1 3.32Å; V408-I438 HydrophobicContact CG2-CG1 4.41Å
409K89.3Confident92Very high138 Ų13838.3 Ų38.360%0.620%0.196SC*.Hα-helixtrans-67.7-44.8177.1-75.6177.1-179.2-175.60112.6R405 E406 L407 G411R405-K409 WeakPolarHBondContact O-CB 3.49Å; R405-K409 WeakPolarHBondContact O-CG 3.39Å; R405-K409 PolarHBondContact O-N 3.42Å; E406-K409 PolarHBondContact O-N 3.22Å; E406-K409 VanDerWaalsContact O-N 3.15Å; L407-K409 VanDerWaalsContact C-N 3.34Å; K409-G411 PolarHBondContact O-N 3.46Å
410K89.9Confident92.1Very high151 Ų15137.6 Ų37.666%0.65719%0.188SC*.Hα-helixtrans-63.8-25.6174.5-71.9178.5-178169.40112.5E406E406-K410 HydrophobicContact CG-CD 4.47Å; E406-K410 WeakPolarHBondContact O-CG 3.13Å; E406-K410 PolarHBondContact O-N 3.08Å; E406-K410 WeakPolarHBondContact OE1-CE 3.5Å; E406-K410 IonicContact OE1-NZ 2.88Å; E406-K410 PolarHBondContact OE1-NZ 3.19Å
411G87.3Confident92Very high22 Ų2240.3 Ų40.323%0.22720%0.201CC..  trans85.3151.6-172.600000111L407 V408 K409L407-G411 PolarHBondContact O-N 3.49Å; V408-G411 PolarHBondContact O-N 3.16Å; K409-G411 PolarHBondContact O-N 3.46Å
412F88Confident91.9Very high16 Ų1641.3 Ų41.37%0.0721%0.209CC..  trans-146.3163.7174.352.4-106.8000109.1F28 V408 P414 V416 V466 L484F28-F412 HydrophobicContact CD1-CE2 4.28Å; F28-F412 HydrophobicContact CD1-CZ 4.42Å; F28-F412 HydrophobicContact CE1-CE1 4.25Å; F28-F412 HydrophobicContact CE1-CE2 4.25Å; F28-F412 AromaticContact CE1-CZ 3.93Å; F28-F412 HydrophobicContact CE1-CZ 3.93Å; V408-F412 HydrophobicContact CB-CE1 4.42Å; V408-F412 HydrophobicContact CG2-CE1 3.84Å; F412-P414 WeakPolarHBondContact O-CD 3.49Å; F412-V416 HydrophobicContact CD2-CB 4.41Å; F412-V416 HydrophobicContact CD2-CG2 3.2Å; F412-V416 HydrophobicContact CE2-CB 4.28Å; F412-V416 HydrophobicContact CE2-CG2 3.45Å; F412-V416 VanDerWaalsContact CE2-CG2 3.45Å; F412-V416 HydrophobicContact CG-CG2 3.98Å; F412-V416 HydrophobicContact CZ-CG2 4.37Å; F412-V466 HydrophobicContact CE1-CG2 4.44Å; F412-V466 HydrophobicContact CE2-CG2 3.78Å; F412-V466 HydrophobicContact CZ-CG2 3.4Å; F412-L484 HydrophobicContact CB-CD2 3.98Å; F412-L484 HydrophobicContact CG-CD2 4.44Å
413N87.5Confident91.8Very high79 Ų7937.1 Ų37.142%0.42219%0.187SC..  trans-90.7106.3179.4-66.5-6.9000109.6Q29 N483Q29-N413 PolarHBondContact OE1-OD1 3.25Å; N413-N483 HydrophobicContact CB-CB 4.4Å; N413-N483 WeakPolarHBondContact O-CB 3.31Å
414P88.6Confident91.7Very high29 Ų2941.7 Ų41.719%0.18821%0.207CC..SBendtrans-65.1156.2171.929-34.7000110.7F412 W465 N483F412-P414 WeakPolarHBondContact O-CD 3.49Å; P414-W465 HydrophobicContact CB-CB 3.79Å; P414-W465 HydrophobicContact CB-CG 4Å; P414-W465 HydrophobicContact CG-CB 4.42Å; P414-W465 HydrophobicContact CG-CG 4.18Å; P414-N483 PolarHBondContact O-ND2 2.86Å
415P92.3Very high91.7Very high29 Ų2942.2 Ų42.219%0.18821%0.209CC..  cis-82.71394.629-29.2000113.5F459 G481 N483P415-F459 HydrophobicContact CB-CD2 4.34Å; P415-F459 HydrophobicContact CB-CE1 4.06Å; P415-F459 HydrophobicContact CB-CE2 3.64Å; P415-F459 HydrophobicContact CB-CZ 3.5Å; P415-G481 VanDerWaalsContact CD-O 3.27Å; P415-G481 WeakPolarHBondContact CD-O 3.23Å; P415-G481 WeakPolarHBondContact CG-O 3.26Å; P415-N483 PolarHBondContact O-N 2.84Å
416V93.9Very high91.8Very high0 Ų039.6 Ų39.60%020%0.199CC..EExtended strand (participates in β ladder)trans-113.5134.5-179.1-177.60000110.9F412 V418 F459 W465 V466 L467 L484 I486F412-V416 HydrophobicContact CD2-CB 4.41Å; F412-V416 HydrophobicContact CD2-CG2 3.2Å; F412-V416 HydrophobicContact CE2-CB 4.28Å; F412-V416 HydrophobicContact CE2-CG2 3.45Å; F412-V416 VanDerWaalsContact CE2-CG2 3.45Å; F412-V416 HydrophobicContact CG-CG2 3.98Å; F412-V416 HydrophobicContact CZ-CG2 4.37Å; V416-V418 HydrophobicContact CG1-CG2 4.27Å; V416-F459 WeakPolarHBondContact O-CE2 3.13Å; V416-W465 PolarHBondContact N-O 3.1Å; V416-V466 HydrophobicContact CB-CG2 4.36Å; V416-V466 WeakPolarHBondContact O-CA 3.28Å; V416-L467 PolarHBondContact O-N 2.88Å; V416-L484 WeakPolarHBondContact CA-O 3.07Å; V416-L484 HydrophobicContact CG1-CB 4.18Å; V416-L484 HydrophobicContact CG1-CD2 4.13Å; V416-L484 HydrophobicContact CG1-CG 4.09Å; V416-L484 HydrophobicContact CG2-CB 4.01Å; V416-L484 HydrophobicContact CG2-CD2 4.27Å; V416-I486 HydrophobicContact CG1-CD1 3.77Å; V416-I486 HydrophobicContact CG1-CG1 3.98Å
417L94.7Very high91.9Very high0 Ų038.8 Ų38.80%019%0.194CC..EExtended strand (participates in β ladder)trans-110.6123.7176.5-16969.5000110.2F419 L467 F479 V482 L484 V485 I486 R503L417-F419 HydrophobicContact CD2-CE2 3.57Å; L417-F419 HydrophobicContact CD2-CZ 3.64Å; L417-F419 HydrophobicContact CG-CE2 4.04Å; L417-F419 HydrophobicContact CG-CZ 4.33Å; L417-L467 HydrophobicContact CD1-CB 4.11Å; L417-L467 HydrophobicContact CD1-CD2 4.08Å; L417-L467 HydrophobicContact CD1-CG 4.12Å; L417-F479 HydrophobicContact CD1-CD1 4.19Å; L417-F479 HydrophobicContact CD1-CD2 4.41Å; L417-F479 HydrophobicContact CD1-CE1 4.02Å; L417-F479 HydrophobicContact CD1-CE2 4.22Å; L417-F479 HydrophobicContact CD1-CG 4.39Å; L417-F479 HydrophobicContact CD1-CZ 4.01Å; L417-F479 HydrophobicContact CD2-CD2 3.76Å; L417-F479 HydrophobicContact CD2-CE2 3.91Å; L417-F479 HydrophobicContact CD2-CG 4.24Å; L417-V482 HydrophobicContact CB-CG1 3.92Å; L417-L484 PolarHBondContact N-O 2.98Å; L417-V485 CarbonylContact O-C 3.5Å; L417-V485 WeakPolarHBondContact O-CA 3.34Å; L417-I486 PolarHBondContact O-N 3.4Å; L417-R503 HydrophobicContact CD2-CB 3.71Å; L417-R503 HydrophobicContact CD2-CG 3.71Å
418V95.9Very high92Very high0 Ų039.3 Ų39.30%020%0.195CC..EExtended strand (participates in β ladder)trans-110.8126.4-178.8-174.20000109.8M404 V416 L429 V466 L467 I468 C469 I486M404-V418 HydrophobicContact CE-CG2 4.19Å; V416-V418 HydrophobicContact CG1-CG2 4.27Å; V418-L429 HydrophobicContact CG1-CD2 3.89Å; V418-V466 HydrophobicContact CG2-CG1 3.47Å; V418-V466 VanDerWaalsContact CG2-CG1 3.47Å; V418-L467 PolarHBondContact N-O 3.41Å; V418-I468 HydrophobicContact CB-CG1 4.25Å; V418-I468 CarbonylContact O-C 3.53Å; V418-I468 WeakPolarHBondContact O-CA 3.45Å; V418-C469 PolarHBondContact O-N 2.86Å; V418-I486 CarbonylContact C-O 3.58Å; V418-I486 VanDerWaalsContact CA-O 3.32Å; V418-I486 WeakPolarHBondContact CA-O 3.38Å; V418-I486 HydrophobicContact CG1-CB 4.43Å; V418-I486 HydrophobicContact CG2-CB 4.21Å; V418-I486 HydrophobicContact CG2-CD1 4.38Å
419F96.2Very high92.2Very high2 Ų239.3 Ų39.31%0.00920%0.195CC..EExtended strand (participates in β ladder)trans-102.1126.9178-77.4-78.7000112.2L417 C469 A471 A474 V485 I486 Y488 D489 R500 R503L417-F419 HydrophobicContact CD2-CE2 3.57Å; L417-F419 HydrophobicContact CD2-CZ 3.64Å; L417-F419 HydrophobicContact CG-CE2 4.04Å; L417-F419 HydrophobicContact CG-CZ 4.33Å; F419-C469 WeakPolarHBondContact CA-O 3.22Å; F419-C469 VanDerWaalsContact CD1-SG 3.57Å; F419-C469 WeakPolarHBondContact CE1-SG 3.31Å; F419-A471 HydrophobicContact CD1-CB 4.46Å; F419-A474 HydrophobicContact CE1-CB 3.32Å; F419-A474 HydrophobicContact CZ-CB 3.6Å; F419-V485 HydrophobicContact CD2-CG1 3.8Å; F419-V485 HydrophobicContact CE2-CG1 3.85Å; F419-I486 PolarHBondContact N-O 2.79Å; F419-Y488 WeakPolarHBondContact O-CB 3.13Å; F419-Y488 PolarHBondContact O-N 2.88Å; F419-D489 PolarHBondContact O-N 3.47Å; F419-D489 VanDerWaalsContact O-N 3.15Å; F419-R500 HydrophobicContact CD1-CG 3.79Å; F419-R500 HydrophobicContact CD2-CB 3.7Å; F419-R500 HydrophobicContact CD2-CG 3.76Å; F419-R500 HydrophobicContact CE1-CB 4.45Å; F419-R500 HydrophobicContact CE1-CG 3.78Å; F419-R500 HydrophobicContact CE2-CB 3.53Å; F419-R500 HydrophobicContact CE2-CG 3.77Å; F419-R500 HydrophobicContact CG-CB 4.24Å; F419-R500 HydrophobicContact CG-CG 3.77Å; F419-R500 HydrophobicContact CZ-CB 3.94Å; F419-R500 HydrophobicContact CZ-CG 3.78Å; F419-R503 HydrophobicContact CE2-CG 4.28Å; F419-R503 HydrophobicContact CZ-CG 4.02Å
420V95.2Very high92.4Very high0 Ų034.2 Ų34.20%017%0.173CC..EExtended strand (participates in β ladder)trans-122.4159.9173.4-64.20000110.9R425 A426 L429 I468 C469 T470 Y488 D489V420-R425 HydrophobicContact CB-CB 4.36Å; V420-A426 HydrophobicContact CG2-CB 3.54Å; V420-L429 HydrophobicContact CG1-CD2 3.85Å; V420-I468 HydrophobicContact CG1-CG2 4.04Å; V420-I468 HydrophobicContact CG2-CG2 3.9Å; V420-C469 PolarHBondContact N-O 3.34Å; V420-T470 HydrophobicContact CG2-CG2 4.34Å; V420-Y488 HydrophobicContact CG1-CD1 4.2Å; V420-Y488 HydrophobicContact CG1-CG 4.4Å; V420-D489 WeakPolarHBondContact CA-OD2 3.16Å
421Q91.5Very high92.5Very high57 Ų5732 Ų3227%0.26617%0.165SC..SBendtrans-75.9-37.7-174.8-179.7177.3-28.800113D489 L562Q421-D489 HydrophobicContact CB-CB 3.91Å; Q421-D489 WeakPolarHBondContact CB-OD2 3.27Å; Q421-D489 PolarHBondContact N-OD2 3.3Å; Q421-L562 PolarHBondContact NE2-O 3.46Å
422S91.1Very high92.7Very high33 Ų3331.3 Ų31.323%0.23116%0.156CC..SBendtrans-133.5165.7-173.692.10000113.1E424 R425 A426S422-E424 VanDerWaalsContact C-N 3.33Å; S422-E424 WeakPolarHBondContact CB-OE2 3.35Å; S422-E424 PolarHBondContact OG-N 3.27Å; S422-E424 PolarHBondContact OG-OE2 3.25Å; S422-R425 PolarHBondContact OG-N 3.33Å; S422-A426 PolarHBondContact O-N 3.41Å; S422-A426 VanDerWaalsContact O-N 3.12Å
423I91.6Very high92.9Very high30 Ų3030.6 Ų30.615%0.15415%0.152CC..Hα-helixtrans-68.5-37.9179.2-60.5-175.3000110.5A426 K427 H444 A445 E446 T470I423-A426 WeakPolarHBondContact O-CB 3.16Å; I423-A426 PolarHBondContact O-N 2.75Å; I423-K427 WeakPolarHBondContact O-CG 3.27Å; I423-K427 PolarHBondContact O-N 2.99Å; I423-K427 VanDerWaalsContact O-N 3.1Å; I423-H444 HydrophobicContact CB-CB 4.4Å; I423-H444 HydrophobicContact CD1-CB 4.37Å; I423-H444 HydrophobicContact CG1-CB 4.06Å; I423-H444 HydrophobicContact CG2-CB 3.88Å; I423-H444 VanDerWaalsContact CG2-ND1 3.27Å; I423-H444 WeakPolarHBondContact CG2-ND1 3.12Å; I423-A445 HydrophobicContact CD1-CB 3.89Å; I423-E446 HydrophobicContact CD1-CG 4.13Å; I423-E446 HydrophobicContact CG2-CG 4.45Å; I423-T470 HydrophobicContact CG1-CG2 4.34Å
424E93.2Very high93Very high105 Ų10530.4 Ų30.449%0.49115%0.151SC..Hα-helixtrans-60.5-51.9178.5-58.469-146.200109.6S422 A426 K427 E428S422-E424 VanDerWaalsContact C-N 3.33Å; S422-E424 WeakPolarHBondContact CB-OE2 3.35Å; S422-E424 PolarHBondContact OG-N 3.27Å; S422-E424 PolarHBondContact OG-OE2 3.25Å; E424-A426 PolarHBondContact O-N 3.21Å; E424-K427 WeakPolarHBondContact O-CB 3.29Å; E424-K427 PolarHBondContact O-N 3.09Å; E424-E428 WeakPolarHBondContact O-CG 3.35Å; E424-E428 PolarHBondContact O-N 2.93Å
425R94.1Very high92.8Very high11 Ų1138.1 Ų38.14%0.04218%0.178CC..Hα-helixtrans-59.8-35.5176-67.3-179.267.278.9-8.1112.6E397 V420 S422 K427 E428 L429 D489 E565 I567E397-R425 IonicContact OE2-CZ 3.55Å; E397-R425 IonicContact OE2-NH1 2.66Å; E397-R425 IonicContact OE2-NH2 3.73Å; E397-R425 PolarHBondContact OE2-NH2 3.02Å; V420-R425 HydrophobicContact CB-CB 4.36Å; S422-R425 PolarHBondContact OG-N 3.33Å; R425-K427 VanDerWaalsContact C-N 3.33Å; R425-K427 PolarHBondContact O-N 3.1Å; R425-E428 PolarHBondContact O-N 3.46Å; R425-L429 VanDerWaalsContact O-CB 3.3Å; R425-L429 WeakPolarHBondContact O-CB 3.42Å; R425-L429 PolarHBondContact O-N 3.22Å; R425-D489 IonicContact CZ-OD1 3.57Å; R425-D489 IonicContact CZ-OD2 2.87Å; R425-D489 IonicContact NE-OD1 3.69Å; R425-D489 PolarHBondContact NE-OD1 2.9Å; R425-D489 IonicContact NE-OD2 2.86Å; R425-D489 PolarHBondContact NE-OD2 3.5Å; R425-D489 IonicContact NH2-OD1 2.75Å; R425-D489 PolarHBondContact NH2-OD1 2.99Å; R425-D489 IonicContact NH2-OD2 2.82Å; R425-E565 PolarHBondContact NH1-O 3.16Å; R425-I567 HydrophobicContact CB-CD1 3.88Å; R425-I567 HydrophobicContact CG-CD1 4.26Å
426A93.9Very high92.5Very high0 Ų039.5 Ų39.50%018%0.181CC..Hα-helixtrans-61.9-41.717600000112.1V420 S422 I423 E424 F430 V442 I468V420-A426 HydrophobicContact CG2-CB 3.54Å; S422-A426 PolarHBondContact O-N 3.41Å; S422-A426 VanDerWaalsContact O-N 3.12Å; I423-A426 WeakPolarHBondContact O-CB 3.16Å; I423-A426 PolarHBondContact O-N 2.75Å; E424-A426 PolarHBondContact O-N 3.21Å; A426-F430 VanDerWaalsContact O-CB 3.24Å; A426-F430 WeakPolarHBondContact O-CB 3.18Å; A426-F430 PolarHBondContact O-N 3.44Å; A426-F430 VanDerWaalsContact O-N 3.08Å; A426-V442 HydrophobicContact CB-CG2 3.48Å; A426-V442 VanDerWaalsContact CB-CG2 3.48Å; A426-I468 HydrophobicContact CB-CG2 3.97Å
427K93.8Very high91.9Very high74 Ų7442 Ų4232%0.32221%0.207SC..Hα-helixtrans-70.9-43.5176.5-66.9171.8-178.5171.50111.6I423 E424 R425 F430 H431 E446I423-K427 WeakPolarHBondContact O-CG 3.27Å; I423-K427 PolarHBondContact O-N 2.99Å; I423-K427 VanDerWaalsContact O-N 3.1Å; E424-K427 WeakPolarHBondContact O-CB 3.29Å; E424-K427 PolarHBondContact O-N 3.09Å; R425-K427 VanDerWaalsContact C-N 3.33Å; R425-K427 PolarHBondContact O-N 3.1Å; K427-F430 WeakPolarHBondContact O-CB 3.35Å; K427-F430 PolarHBondContact O-N 2.97Å; K427-H431 PolarHBondContact O-CD2 3.21Å; K427-H431 PolarHBondContact O-N 2.97Å; K427-E446 WeakPolarHBondContact CE-OE2 3.44Å; K427-E446 IonicContact NZ-OE1 2.63Å; K427-E446 IonicContact NZ-OE2 2.79Å; K427-E446 PolarHBondContact NZ-OE2 2.69Å
428E93.5Very high91.6Very high50 Ų5042.3 Ų42.323%0.23421%0.208CC..Hα-helixtrans-59.4-51.3177.7-71.9175.3168.400111.4E424 R425 F430 H431 E432 S566 I567E424-E428 WeakPolarHBondContact O-CG 3.35Å; E424-E428 PolarHBondContact O-N 2.93Å; R425-E428 PolarHBondContact O-N 3.46Å; E428-F430 VanDerWaalsContact C-N 3.32Å; E428-F430 PolarHBondContact O-N 3.03Å; E428-H431 PolarHBondContact O-N 2.86Å; E428-E432 PolarHBondContact O-N 2.83Å; E428-E432 VanDerWaalsContact O-N 3.1Å; E428-S566 PolarHBondContact OE1-OG 3.17Å; E428-S566 PolarHBondContact OE2-OG 3.04Å; E428-I567 HydrophobicContact CB-CB 3.91Å; E428-I567 WeakPolarHBondContact CB-O 2.91Å; E428-I567 PolarHBondContact OE2-N 3.22Å
429L94.4Very high91.4Very high0 Ų045.6 Ų45.60%023%0.226CC..Hα-helixtrans-62.4-38.5176.6-176.862.3000112.3L401 V418 V420 R425 H431 E432 L433 I468 Y488 I567L401-L429 HydrophobicContact CD1-CD1 4.13Å; V418-L429 HydrophobicContact CG1-CD2 3.89Å; V420-L429 HydrophobicContact CG1-CD2 3.85Å; R425-L429 VanDerWaalsContact O-CB 3.3Å; R425-L429 WeakPolarHBondContact O-CB 3.42Å; R425-L429 PolarHBondContact O-N 3.22Å; L429-H431 VanDerWaalsContact C-N 3.34Å; L429-H431 PolarHBondContact O-N 2.85Å; L429-E432 PolarHBondContact O-N 3.11Å; L429-L433 HydrophobicContact CD1-CD1 4.07Å; L429-L433 HydrophobicContact CD1-CG 4Å; L429-L433 HydrophobicContact CG-CD1 3.96Å; L429-L433 HydrophobicContact CG-CG 4.26Å; L429-L433 WeakPolarHBondContact O-CB 3.46Å; L429-L433 WeakPolarHBondContact O-CG 3.48Å; L429-L433 PolarHBondContact O-N 3.06Å; L429-I468 HydrophobicContact CB-CD1 4.17Å; L429-I468 HydrophobicContact CD2-CD1 4.12Å; L429-I468 HydrophobicContact CD2-CG1 4.33Å; L429-I468 HydrophobicContact CD2-CG2 4.37Å; L429-I468 HydrophobicContact CG-CD1 3.91Å; L429-Y488 HydrophobicContact CD1-CD2 4.23Å; L429-Y488 HydrophobicContact CD1-CE2 3.76Å; L429-Y488 HydrophobicContact CD2-CD1 4.43Å; L429-Y488 HydrophobicContact CD2-CD2 3.91Å; L429-Y488 HydrophobicContact CD2-CE2 4.23Å; L429-Y488 HydrophobicContact CD2-CG 4.01Å; L429-I567 HydrophobicContact CB-CD1 4.06Å; L429-I567 HydrophobicContact CD1-CG2 4.36Å
430F94.3Very high91.3Very high30 Ų3046.3 Ų46.313%0.13223%0.231CC..Hα-helixtrans-58-46.3174.5169.6-104.4000111.4A426 K427 E428 L433 I434 V440 V442 I468A426-F430 VanDerWaalsContact O-CB 3.24Å; A426-F430 WeakPolarHBondContact O-CB 3.18Å; A426-F430 PolarHBondContact O-N 3.44Å; A426-F430 VanDerWaalsContact O-N 3.08Å; K427-F430 WeakPolarHBondContact O-CB 3.35Å; K427-F430 PolarHBondContact O-N 2.97Å; E428-F430 VanDerWaalsContact C-N 3.32Å; E428-F430 PolarHBondContact O-N 3.03Å; F430-L433 PolarHBondContact O-N 3.07Å; F430-I434 HydrophobicContact CD1-CD1 3.65Å; F430-I434 HydrophobicContact CD2-CD1 4.06Å; F430-I434 HydrophobicContact CD2-CG1 4.33Å; F430-I434 HydrophobicContact CE1-CD1 3.21Å; F430-I434 HydrophobicContact CE1-CG1 4.4Å; F430-I434 HydrophobicContact CE2-CD1 3.64Å; F430-I434 HydrophobicContact CE2-CG1 4.03Å; F430-I434 HydrophobicContact CG-CD1 4.07Å; F430-I434 HydrophobicContact CZ-CD1 3.22Å; F430-I434 HydrophobicContact CZ-CG1 4.1Å; F430-I434 VanDerWaalsContact O-CG1 3.26Å; F430-I434 WeakPolarHBondContact O-CG1 3.49Å; F430-I434 PolarHBondContact O-N 3.44Å; F430-V440 HydrophobicContact CD2-CG1 3.83Å; F430-V440 HydrophobicContact CD2-CG2 4.19Å; F430-V440 HydrophobicContact CE2-CG1 4.02Å; F430-V440 WeakPolarHBondContact CE2-O 3.43Å; F430-V442 HydrophobicContact CB-CB 4.41Å; F430-V442 HydrophobicContact CD2-CB 4.49Å; F430-V442 HydrophobicContact CG-CG1 4.38Å; F430-I468 HydrophobicContact CB-CD1 3.9Å
431H91.8Very high91.3Very high105 Ų10547.8 Ų47.849%0.48624%0.238SC..Hα-helixtrans-62.1-44.9177.8-73.2-58.2000112.2K427 E428 L429 L433 I434 Y435K427-H431 PolarHBondContact O-CD2 3.21Å; K427-H431 PolarHBondContact O-N 2.97Å; E428-H431 PolarHBondContact O-N 2.86Å; L429-H431 VanDerWaalsContact C-N 3.34Å; L429-H431 PolarHBondContact O-N 2.85Å; H431-L433 PolarHBondContact O-N 2.96Å; H431-I434 PolarHBondContact O-N 3.35Å; H431-Y435 WeakPolarHBondContact O-CD2 2.98Å; H431-Y435 WeakPolarHBondContact O-CE2 3.37Å
432E91.3Very high91.4Very high8 Ų845.1 Ų45.14%0.03723%0.226CC..Hα-helixtrans-63.5-39.5178-67.8-69.2154.300112.6L401 R405 E428 L429 Y435 I567 T569L401-E432 HydrophobicContact CD1-CB 3.91Å; L401-E432 HydrophobicContact CD1-CG 4.34Å; L401-E432 HydrophobicContact CD2-CB 4.43Å; L401-E432 HydrophobicContact CD2-CG 4.08Å; R405-E432 IonicContact CZ-OE2 3.79Å; R405-E432 IonicContact NH2-OE2 2.75Å; R405-E432 PolarHBondContact NH2-OE2 3.29Å; E428-E432 PolarHBondContact O-N 2.83Å; E428-E432 VanDerWaalsContact O-N 3.1Å; L429-E432 PolarHBondContact O-N 3.11Å; E432-Y435 PolarHBondContact O-N 3.37Å; E432-I567 HydrophobicContact CG-CG2 4.43Å; E432-T569 VanDerWaalsContact CD-OG1 3.3Å; E432-T569 PolarHBondContact OE1-N 3.02Å; E432-T569 PolarHBondContact OE1-OG1 3.45Å; E432-T569 VanDerWaalsContact OE2-CG2 3.22Å; E432-T569 WeakPolarHBondContact OE2-CG2 3.37Å; E432-T569 PolarHBondContact OE2-OG1 3.29Å
433L91.2Very high91.4Very high0 Ų043.6 Ų43.60%022%0.215CC..Hα-helixtrans-77.5-25.1-178.5-68.4-176.6000114.2M404 L429 F430 H431 Y435 E436 I438 V440 V466 I468M404-L433 HydrophobicContact CE-CD1 3.85Å; M404-L433 HydrophobicContact CE-CD2 4.37Å; M404-L433 HydrophobicContact CG-CD1 4.34Å; M404-L433 HydrophobicContact CG-CD2 3.79Å; L429-L433 HydrophobicContact CD1-CD1 4.07Å; L429-L433 HydrophobicContact CD1-CG 4Å; L429-L433 HydrophobicContact CG-CD1 3.96Å; L429-L433 HydrophobicContact CG-CG 4.26Å; L429-L433 WeakPolarHBondContact O-CB 3.46Å; L429-L433 WeakPolarHBondContact O-CG 3.48Å; L429-L433 PolarHBondContact O-N 3.06Å; F430-L433 PolarHBondContact O-N 3.07Å; H431-L433 PolarHBondContact O-N 2.96Å; L433-Y435 VanDerWaalsContact C-N 3.27Å; L433-Y435 PolarHBondContact O-N 3.42Å; L433-E436 PolarHBondContact O-N 3Å; L433-I438 HydrophobicContact CB-CD1 4.42Å; L433-I438 HydrophobicContact CD2-CD1 4.13Å; L433-V440 HydrophobicContact CB-CB 4.47Å; L433-V440 HydrophobicContact CB-CG1 4.13Å; L433-V440 HydrophobicContact CB-CG2 4.36Å; L433-V440 HydrophobicContact CD1-CG2 4.3Å; L433-V466 HydrophobicContact CD1-CG1 4.45Å; L433-I468 HydrophobicContact CD1-CD1 4.22Å
434I90.1Very high91.4Very high75 Ų7542.4 Ų42.439%0.38521%0.209SC..Hα-helixtrans-61.3-39.6172-73.2163000110.7F430 H431 E436 G437 V440F430-I434 HydrophobicContact CD1-CD1 3.65Å; F430-I434 HydrophobicContact CD2-CD1 4.06Å; F430-I434 HydrophobicContact CD2-CG1 4.33Å; F430-I434 HydrophobicContact CE1-CD1 3.21Å; F430-I434 HydrophobicContact CE1-CG1 4.4Å; F430-I434 HydrophobicContact CE2-CD1 3.64Å; F430-I434 HydrophobicContact CE2-CG1 4.03Å; F430-I434 HydrophobicContact CG-CD1 4.07Å; F430-I434 HydrophobicContact CZ-CD1 3.22Å; F430-I434 HydrophobicContact CZ-CG1 4.1Å; F430-I434 VanDerWaalsContact O-CG1 3.26Å; F430-I434 WeakPolarHBondContact O-CG1 3.49Å; F430-I434 PolarHBondContact O-N 3.44Å; H431-I434 PolarHBondContact O-N 3.35Å; I434-E436 PolarHBondContact O-N 2.82Å; I434-G437 PolarHBondContact O-N 2.78Å; I434-V440 HydrophobicContact CG1-CG1 3.68Å
435Y85.5Confident90.9Very high192 Ų19240 Ų4075%0.75321%0.207SC*.THydrogen-bonded Turntrans-65.5-19.6179.9-69-66.5000113.3H431 E432 L433 G437H431-Y435 WeakPolarHBondContact O-CD2 2.98Å; H431-Y435 WeakPolarHBondContact O-CE2 3.37Å; E432-Y435 PolarHBondContact O-N 3.37Å; L433-Y435 VanDerWaalsContact C-N 3.27Å; L433-Y435 PolarHBondContact O-N 3.42Å; Y435-G437 VanDerWaalsContact C-N 3.26Å; Y435-G437 PolarHBondContact O-N 2.75Å
436E84.3Confident90.7Very high58 Ų5845 Ų4527%0.27123%0.231SC..THydrogen-bonded Turntrans-82.90.3175.1-59.8-67.5156.700113.1R405 L433 I434 I438R405-E436 WeakPolarHBondContact CD-OE1 3.49Å; R405-E436 HydrophobicContact CG-CG 4.43Å; R405-E436 IonicContact CZ-OE1 3.32Å; R405-E436 IonicContact NE-OE1 2.79Å; R405-E436 PolarHBondContact NE-OE1 2.83Å; R405-E436 IonicContact NH2-OE1 3.22Å; L433-E436 PolarHBondContact O-N 3Å; I434-E436 PolarHBondContact O-N 2.82Å; E436-I438 HydrophobicContact CB-CD1 3.9Å; E436-I438 HydrophobicContact CB-CG1 4.07Å
437G82.4Confident90.4Very high51 Ų5148.7 Ų48.753%0.52625%0.245SC..THydrogen-bonded Turntrans76.119.2178.500000114.7I434 Y435I434-G437 PolarHBondContact O-N 2.78Å; Y435-G437 VanDerWaalsContact C-N 3.26Å; Y435-G437 PolarHBondContact O-N 2.75Å
438I88.1Confident90.2Very high7 Ų748.8 Ų48.84%0.03625%0.252CS..  trans-90.9141.6-178.6-48.8157.6000110.1F28 V408 L433 E436 V440 W465 V466F28-I438 HydrophobicContact CZ-CG1 4.31Å; V408-I438 HydrophobicContact CB-CD1 4.04Å; V408-I438 HydrophobicContact CG1-CD1 3.47Å; V408-I438 VanDerWaalsContact CG1-CD1 3.47Å; V408-I438 HydrophobicContact CG1-CG1 3.75Å; V408-I438 HydrophobicContact CG2-CD1 3.32Å; V408-I438 HydrophobicContact CG2-CG1 4.41Å; L433-I438 HydrophobicContact CB-CD1 4.42Å; L433-I438 HydrophobicContact CD2-CD1 4.13Å; E436-I438 HydrophobicContact CB-CD1 3.9Å; E436-I438 HydrophobicContact CB-CG1 4.07Å; I438-V440 VanDerWaalsContact C-N 3.32Å; I438-V440 PolarHBondContact O-N 3.18Å; I438-W465 HydrophobicContact CG2-CE3 4.35Å; I438-V466 HydrophobicContact CG2-CB 4.45Å; I438-V466 HydrophobicContact CG2-CG2 3.75Å
439N92.5Very high89.6Confident69 Ų6949.3 Ų49.337%0.36925%0.254SS..  trans-7088.2168.1-67.7-31000110.7W465 V466N439-W465 HydrophobicContact CB-CB 4.29Å; N439-W465 HydrophobicContact CB-CD2 4.02Å; N439-W465 HydrophobicContact CB-CE3 4.31Å; N439-W465 HydrophobicContact CB-CG 3.98Å; N439-W465 PolarHBondContact O-N 2.99Å; N439-V466 PolarHBondContact O-N 3.31Å; N439-V466 VanDerWaalsContact O-N 3.09Å
440V94.5Very high89.3Confident18 Ų1856 Ų5611%0.10929%0.286CS..EExtended strand (participates in β ladder)trans-113.1147.9-178.665.20000111F430 L433 I434 I438 V466 I468F430-V440 HydrophobicContact CD2-CG1 3.83Å; F430-V440 HydrophobicContact CD2-CG2 4.19Å; F430-V440 HydrophobicContact CE2-CG1 4.02Å; F430-V440 WeakPolarHBondContact CE2-O 3.43Å; L433-V440 HydrophobicContact CB-CB 4.47Å; L433-V440 HydrophobicContact CB-CG1 4.13Å; L433-V440 HydrophobicContact CB-CG2 4.36Å; L433-V440 HydrophobicContact CD1-CG2 4.3Å; I434-V440 HydrophobicContact CG1-CG1 3.68Å; I438-V440 VanDerWaalsContact C-N 3.32Å; I438-V440 PolarHBondContact O-N 3.18Å; V440-V466 VanDerWaalsContact CA-O 3.26Å; V440-V466 WeakPolarHBondContact CA-O 3.23Å; V440-V466 HydrophobicContact CB-CB 4.32Å; V440-V466 HydrophobicContact CG2-CB 4.07Å; V440-V466 HydrophobicContact CG2-CG1 4.1Å; V440-V466 WeakPolarHBondContact CG2-O 3.45Å; V440-I468 HydrophobicContact CG2-CD1 3.66Å; V440-I468 HydrophobicContact CG2-CG1 3.98Å
441D94.8Very high89.2Confident30 Ų3056.8 Ų56.816%0.1629%0.29CS..EExtended strand (participates in β ladder)trans-143.7169.8167.2-161.54.2000109.9T455 I464 V466 L467 I468D441-T455 HydrophobicContact CB-CG2 4.21Å; D441-T455 WeakPolarHBondContact OD2-CB 3.18Å; D441-T455 WeakPolarHBondContact OD2-CG2 3.31Å; D441-T455 PolarHBondContact OD2-OG1 3.2Å; D441-I464 HydrophobicContact CB-CD1 3.59Å; D441-I464 HydrophobicContact CB-CG1 4.06Å; D441-I464 HydrophobicContact CB-CG2 3.99Å; D441-V466 PolarHBondContact N-O 3.18Å; D441-L467 HydrophobicContact CB-CD1 4.41Å; D441-I468 PolarHBondContact O-N 2.75Å
442V93.9Very high89.1Confident1 Ų153.2 Ų53.21%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-129.3133.5-177.366.90000112A426 F430 I468A426-V442 HydrophobicContact CB-CG2 3.48Å; A426-V442 VanDerWaalsContact CB-CG2 3.48Å; F430-V442 HydrophobicContact CB-CB 4.41Å; F430-V442 HydrophobicContact CD2-CB 4.49Å; F430-V442 HydrophobicContact CG-CG1 4.38Å; V442-I468 CarbonylContact C-O 3.58Å; V442-I468 WeakPolarHBondContact CA-O 3.44Å; V442-I468 HydrophobicContact CB-CB 4.4Å; V442-I468 HydrophobicContact CG2-CB 4.12Å; V442-I468 HydrophobicContact CG2-CG2 4.26Å
443I91.2Very high88.8Confident1 Ų156.8 Ų56.81%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-116.5113.6173.9-171.5162.8000111R452 T455 V456 L467 I468 C469 I477I443-R452 HydrophobicContact CD1-CB 3.9Å; I443-R452 HydrophobicContact CD1-CG 4.14Å; I443-R452 HydrophobicContact CG1-CB 4.35Å; I443-R452 HydrophobicContact CG1-CG 4.04Å; I443-T455 HydrophobicContact CB-CG2 4.45Å; I443-V456 HydrophobicContact CD1-CG2 3.74Å; I443-L467 HydrophobicContact CB-CD1 4.23Å; I443-L467 HydrophobicContact CG2-CD1 3.94Å; I443-L467 HydrophobicContact CG2-CD2 4.16Å; I443-L467 HydrophobicContact CG2-CG 4.06Å; I443-I468 PolarHBondContact N-O 2.77Å; I443-C469 HydrophobicContact CG2-CB 3.39Å; I443-I477 HydrophobicContact CD1-CD1 3.56Å
444H89.8Confident88.8Confident6 Ų660.9 Ų60.93%0.02831%0.313CS..  trans-145.1173-1776492.5000112.7I423 E446 R447 R452 L473I423-H444 HydrophobicContact CB-CB 4.4Å; I423-H444 HydrophobicContact CD1-CB 4.37Å; I423-H444 HydrophobicContact CG1-CB 4.06Å; I423-H444 HydrophobicContact CG2-CB 3.88Å; I423-H444 VanDerWaalsContact CG2-ND1 3.27Å; I423-H444 WeakPolarHBondContact CG2-ND1 3.12Å; H444-E446 VanDerWaalsContact C-N 3.25Å; H444-E446 IonicContact CE1-OE2 3.73Å; H444-E446 IonicContact ND1-OE2 3.99Å; H444-E446 PolarHBondContact O-N 2.89Å; H444-R447 PolarHBondContact NE2-NE 2.87Å; H444-R447 PolarHBondContact O-N 3.26Å; H444-R452 PolarHBondContact O-NE 2.76Å; H444-L473 HydrophobicContact CB-CD1 4.37Å
445A84.6Confident88.9Confident55 Ų5557.9 Ų57.946%0.45530%0.299SS..THydrogen-bonded Turntrans-74.8-16.6-162.900000113.5I423 R452 L473I423-A445 HydrophobicContact CD1-CB 3.89Å; A445-R452 VanDerWaalsContact CA-NH2 3.27Å; A445-R452 PolarHBondContact O-NH2 2.78Å; A445-L473 HydrophobicContact CB-CD1 3.97Å
446E88.2Confident89.1Confident114 Ų11449.4 Ų49.453%0.53327%0.266SS..THydrogen-bonded Turntrans-86.1-13.4177.9-54.4173.2156.400112.6I423 K427 H444I423-E446 HydrophobicContact CD1-CG 4.13Å; I423-E446 HydrophobicContact CG2-CG 4.45Å; K427-E446 WeakPolarHBondContact CE-OE2 3.44Å; K427-E446 IonicContact NZ-OE1 2.63Å; K427-E446 IonicContact NZ-OE2 2.79Å; K427-E446 PolarHBondContact NZ-OE2 2.69Å; H444-E446 VanDerWaalsContact C-N 3.25Å; H444-E446 IonicContact CE1-OE2 3.73Å; H444-E446 IonicContact ND1-OE2 3.99Å; H444-E446 PolarHBondContact O-N 2.89Å
447R87.8Confident89.4Confident78 Ų7852.5 Ų52.529%0.29428%0.281SS..SBendtrans-69.7141.7172.4-64.9-66-171.2152.710.4110.1H444 Q451 R452H444-R447 PolarHBondContact NE2-NE 2.87Å; H444-R447 PolarHBondContact O-N 3.26Å; R447-Q451 HydrophobicContact CB-CB 4.24Å; R447-R452 HydrophobicContact CB-CG 3.98Å; R447-R452 PolarHBondContact O-NE 3.02Å; R447-R452 PolarHBondContact O-NH2 2.82Å; R447-R452 VanDerWaalsContact O-NH2 3.15Å
448T89.1Confident89.9Confident77 Ų7751.6 Ų51.647%0.47227%0.266SS..  trans-65.3156.6173.973.30000110.2Q450 Q451 R452T448-Q450 VanDerWaalsContact C-N 3.27Å; T448-Q450 PolarHBondContact O-N 3.24Å; T448-Q451 WeakPolarHBondContact O-CB 3.17Å; T448-Q451 PolarHBondContact O-N 3.17Å; T448-Q451 VanDerWaalsContact O-N 3.1Å; T448-Q451 VanDerWaalsContact OG1-CG 3.26Å; T448-Q451 WeakPolarHBondContact OG1-CG 3.37Å; T448-Q451 PolarHBondContact OG1-N 3.19Å; T448-Q451 PolarHBondContact OG1-OE1 3.15Å; T448-R452 WeakPolarHBondContact O-CG 3.4Å; T448-R452 PolarHBondContact O-N 3.03Å
449Q82.2Confident90Very high61 Ų6151.4 Ų51.429%0.28527%0.265SS..Hα-helixtrans-58.6-42.4-179.4-173.454.138.200112.2R245 Q451 R452 D453R245-Q449 VanDerWaalsContact NH2-CB 3.33Å; R245-Q449 VanDerWaalsContact NH2-CG 3.34Å; Q449-Q451 VanDerWaalsContact C-N 3.29Å; Q449-Q451 PolarHBondContact O-N 3.42Å; Q449-R452 WeakPolarHBondContact O-CB 3.41Å; Q449-R452 PolarHBondContact O-N 2.97Å; Q449-R452 VanDerWaalsContact O-N 3.11Å; Q449-D453 PolarHBondContact NE2-OD1 2.76Å; Q449-D453 PolarHBondContact NE2-OD2 3.31Å; Q449-D453 VanDerWaalsContact O-CG 3.27Å; Q449-D453 PolarHBondContact O-N 2.83Å
450Q88.5Confident89.8Confident140 Ų14053.1 Ų53.165%0.65427%0.266SS*.Hα-helixtrans-61-39.7177.6-172.3177.98.100111.7T448 D453 N454T448-Q450 VanDerWaalsContact C-N 3.27Å; T448-Q450 PolarHBondContact O-N 3.24Å; Q450-D453 PolarHBondContact O-N 2.81Å; Q450-N454 WeakPolarHBondContact O-CB 3.47Å; Q450-N454 PolarHBondContact O-N 3.11Å; Q450-N454 PolarHBondContact O-ND2 2.86Å; Q450-N454 PolarHBondContact O-OD1 2.75Å
451Q91.6Very high89.6Confident47 Ų4754.9 Ų54.922%0.2228%0.283CS..Hα-helixtrans-62.7-44.9173.6-73169-16.200111.3R447 T448 Q449 D453 N454 T455R447-Q451 HydrophobicContact CB-CB 4.24Å; T448-Q451 WeakPolarHBondContact O-CB 3.17Å; T448-Q451 PolarHBondContact O-N 3.17Å; T448-Q451 VanDerWaalsContact O-N 3.1Å; T448-Q451 VanDerWaalsContact OG1-CG 3.26Å; T448-Q451 WeakPolarHBondContact OG1-CG 3.37Å; T448-Q451 PolarHBondContact OG1-N 3.19Å; T448-Q451 PolarHBondContact OG1-OE1 3.15Å; Q449-Q451 VanDerWaalsContact C-N 3.29Å; Q449-Q451 PolarHBondContact O-N 3.42Å; Q451-D453 PolarHBondContact O-N 3.27Å; Q451-N454 PolarHBondContact O-N 3Å; Q451-T455 WeakPolarHBondContact O-CB 3.4Å; Q451-T455 PolarHBondContact O-N 3.09Å; Q451-T455 PolarHBondContact O-OG1 3.06Å
452R88.7Confident89.4Confident29 Ų2955.6 Ų55.611%0.10930%0.297CS..Hα-helixtrans-59.8-46176.7-63.8-176.1-164.7167.99.2111.9E246 I443 H444 A445 R447 T448 Q449 N454 T455 V456 L473E246-R452 IonicContact OE1-CZ 2.93Å; E246-R452 IonicContact OE1-NH1 2.85Å; E246-R452 PolarHBondContact OE1-NH1 2.88Å; I443-R452 HydrophobicContact CD1-CB 3.9Å; I443-R452 HydrophobicContact CD1-CG 4.14Å; I443-R452 HydrophobicContact CG1-CB 4.35Å; I443-R452 HydrophobicContact CG1-CG 4.04Å; H444-R452 PolarHBondContact O-NE 2.76Å; A445-R452 VanDerWaalsContact CA-NH2 3.27Å; A445-R452 PolarHBondContact O-NH2 2.78Å; R447-R452 HydrophobicContact CB-CG 3.98Å; R447-R452 PolarHBondContact O-NE 3.02Å; R447-R452 PolarHBondContact O-NH2 2.82Å; R447-R452 VanDerWaalsContact O-NH2 3.15Å; T448-R452 WeakPolarHBondContact O-CG 3.4Å; T448-R452 PolarHBondContact O-N 3.03Å; Q449-R452 WeakPolarHBondContact O-CB 3.41Å; Q449-R452 PolarHBondContact O-N 2.97Å; Q449-R452 VanDerWaalsContact O-N 3.11Å; R452-N454 VanDerWaalsContact C-N 3.35Å; R452-N454 PolarHBondContact O-N 3.02Å; R452-T455 PolarHBondContact O-N 3.19Å; R452-V456 VanDerWaalsContact O-CG2 3.3Å; R452-V456 WeakPolarHBondContact O-CG2 3.2Å; R452-V456 PolarHBondContact O-N 2.8Å; R452-L473 VanDerWaalsContact NH1-CD2 3.28Å
453D86.2Confident89.3Confident84 Ų8462.4 Ų62.445%0.44933%0.327SS..Hα-helixtrans-63.3-42.4179.8-65.6-26.4000111.1Q449 Q450 Q451 V456 H457Q449-D453 PolarHBondContact NE2-OD1 2.76Å; Q449-D453 PolarHBondContact NE2-OD2 3.31Å; Q449-D453 VanDerWaalsContact O-CG 3.27Å; Q449-D453 PolarHBondContact O-N 2.83Å; Q450-D453 PolarHBondContact O-N 2.81Å; Q451-D453 PolarHBondContact O-N 3.27Å; D453-V456 PolarHBondContact O-N 3.37Å; D453-H457 VanDerWaalsContact O-CB 3.29Å; D453-H457 WeakPolarHBondContact O-CB 3.49Å; D453-H457 PolarHBondContact O-N 2.86Å
454N91.8Very high89.3Confident85 Ų8563 Ų6346%0.45533%0.33SS..Hα-helixtrans-64.2-43.3175.8-70.4-12.2000112.3Q450 Q451 R452 H457 S458Q450-N454 WeakPolarHBondContact O-CB 3.47Å; Q450-N454 PolarHBondContact O-N 3.11Å; Q450-N454 PolarHBondContact O-ND2 2.86Å; Q450-N454 PolarHBondContact O-OD1 2.75Å; Q451-N454 PolarHBondContact O-N 3Å; R452-N454 VanDerWaalsContact C-N 3.35Å; R452-N454 PolarHBondContact O-N 3.02Å; N454-H457 PolarHBondContact O-N 3Å; N454-S458 VanDerWaalsContact O-CB 3.3Å; N454-S458 WeakPolarHBondContact O-CB 3.46Å; N454-S458 PolarHBondContact O-N 2.75Å; N454-S458 PolarHBondContact O-OG 2.65Å
455T92.3Very high89.5Confident13 Ų1364 Ų648%0.0833%0.333CS..Hα-helixtrans-62.4-46.8175.7-67.40000110.8D441 I443 Q451 R452 H457 S458 F459 I464 L467D441-T455 HydrophobicContact CB-CG2 4.21Å; D441-T455 WeakPolarHBondContact OD2-CB 3.18Å; D441-T455 WeakPolarHBondContact OD2-CG2 3.31Å; D441-T455 PolarHBondContact OD2-OG1 3.2Å; I443-T455 HydrophobicContact CB-CG2 4.45Å; Q451-T455 WeakPolarHBondContact O-CB 3.4Å; Q451-T455 PolarHBondContact O-N 3.09Å; Q451-T455 PolarHBondContact O-OG1 3.06Å; R452-T455 PolarHBondContact O-N 3.19Å; T455-H457 VanDerWaalsContact C-N 3.35Å; T455-H457 PolarHBondContact O-N 3.37Å; T455-S458 PolarHBondContact O-N 2.85Å; T455-F459 WeakPolarHBondContact O-CB 3.43Å; T455-F459 PolarHBondContact O-N 2.61Å; T455-I464 HydrophobicContact CG2-CD1 4.13Å; T455-L467 HydrophobicContact CG2-CD1 3.49Å; T455-L467 VanDerWaalsContact CG2-CD1 3.49Å
456V89.1Confident90Very high13 Ų1361.3 Ų61.38%0.07931%0.312CS..Hα-helixtrans-62.9-41.4177172.30000111.4I443 R452 D453 F459 R460 I477I443-V456 HydrophobicContact CD1-CG2 3.74Å; R452-V456 VanDerWaalsContact O-CG2 3.3Å; R452-V456 WeakPolarHBondContact O-CG2 3.2Å; R452-V456 PolarHBondContact O-N 2.8Å; D453-V456 PolarHBondContact O-N 3.37Å; V456-F459 PolarHBondContact O-N 2.82Å; V456-R460 VanDerWaalsContact O-CG 3.3Å; V456-R460 WeakPolarHBondContact O-CG 3.07Å; V456-R460 PolarHBondContact O-N 3.12Å; V456-I477 HydrophobicContact CG1-CG2 4.03Å; V456-I477 HydrophobicContact CG2-CD1 4.25Å; V456-I477 HydrophobicContact CG2-CG2 3.73Å
457H90Very high90.3Very high124 Ų12455.9 Ų55.957%0.57429%0.286SS*.Hα-helixtrans-63.1-43.9175.6-178.977.6000111.6D453 N454 T455 F459 R460 A461D453-H457 VanDerWaalsContact O-CB 3.29Å; D453-H457 WeakPolarHBondContact O-CB 3.49Å; D453-H457 PolarHBondContact O-N 2.86Å; N454-H457 PolarHBondContact O-N 3Å; T455-H457 VanDerWaalsContact C-N 3.35Å; T455-H457 PolarHBondContact O-N 3.37Å; H457-F459 PolarHBondContact O-N 3.27Å; H457-R460 PolarHBondContact O-N 3.1Å; H457-A461 WeakPolarHBondContact O-CB 3.34Å; H457-A461 PolarHBondContact O-N 3.24Å
458S92.6Very high90.7Very high31 Ų3152.2 Ų52.222%0.21727%0.272CS..Hα-helixtrans-68.3-35.3-179.7-590000112.2N454 T455 A461 G462 K463 I464N454-S458 VanDerWaalsContact O-CB 3.3Å; N454-S458 WeakPolarHBondContact O-CB 3.46Å; N454-S458 PolarHBondContact O-N 2.75Å; N454-S458 PolarHBondContact O-OG 2.65Å; T455-S458 PolarHBondContact O-N 2.85Å; S458-A461 PolarHBondContact O-N 3.2Å; S458-G462 PolarHBondContact O-N 2.71Å; S458-K463 WeakPolarHBondContact O-CB 3.37Å; S458-K463 PolarHBondContact O-N 2.71Å; S458-I464 PolarHBondContact O-N 3.17Å
459F91.5Very high90.9Very high3 Ų348.5 Ų48.51%0.01325%0.25CC..Hα-helixtrans-64.4-46.5171.5-176-112000111.8P415 V416 T455 V456 H457 A461 G462 I464 L467 F479 V482P415-F459 HydrophobicContact CB-CD2 4.34Å; P415-F459 HydrophobicContact CB-CE1 4.06Å; P415-F459 HydrophobicContact CB-CE2 3.64Å; P415-F459 HydrophobicContact CB-CZ 3.5Å; V416-F459 WeakPolarHBondContact O-CE2 3.13Å; T455-F459 WeakPolarHBondContact O-CB 3.43Å; T455-F459 PolarHBondContact O-N 2.61Å; V456-F459 PolarHBondContact O-N 2.82Å; H457-F459 PolarHBondContact O-N 3.27Å; F459-A461 VanDerWaalsContact C-N 3.28Å; F459-A461 PolarHBondContact O-N 3.24Å; F459-G462 PolarHBondContact O-N 3.4Å; F459-G462 VanDerWaalsContact O-N 3.12Å; F459-I464 HydrophobicContact CB-CB 4.35Å; F459-I464 HydrophobicContact CB-CD1 4.44Å; F459-I464 HydrophobicContact CD2-CB 4.13Å; F459-I464 HydrophobicContact CD2-CG2 4.01Å; F459-I464 WeakPolarHBondContact CD2-O 3.4Å; F459-L467 HydrophobicContact CB-CD2 4.28Å; F459-L467 HydrophobicContact CD1-CD2 3.98Å; F459-L467 HydrophobicContact CD2-CB 3.58Å; F459-L467 HydrophobicContact CD2-CD2 4.19Å; F459-L467 HydrophobicContact CD2-CG 4.48Å; F459-L467 HydrophobicContact CE1-CD2 4.29Å; F459-L467 HydrophobicContact CE2-CB 3.46Å; F459-L467 VanDerWaalsContact CE2-CB 3.46Å; F459-L467 HydrophobicContact CE2-CD2 4.48Å; F459-L467 HydrophobicContact CG-CB 4.16Å; F459-L467 HydrophobicContact CG-CD2 3.9Å; F459-L467 HydrophobicContact CZ-CB 3.96Å; F459-F479 AromaticContact CD1-CD1 3.96Å; F459-F479 HydrophobicContact CD1-CD1 3.96Å; F459-F479 HydrophobicContact CE1-CB 4.23Å; F459-F479 AromaticContact CE1-CD1 3.79Å; F459-F479 HydrophobicContact CE1-CD1 3.79Å; F459-F479 HydrophobicContact CE1-CG 4.4Å; F459-V482 HydrophobicContact CE1-CG2 4.15Å; F459-V482 HydrophobicContact CZ-CG2 4.37Å
460R88.1Confident91.3Very high105 Ų10546.3 Ų46.340%0.39624%0.24SC..Hα-helixtrans-64.7-31.7175.4-71.6173.6-178.4169.82.2113.3V456 H457 G462 D478V456-R460 VanDerWaalsContact O-CG 3.3Å; V456-R460 WeakPolarHBondContact O-CG 3.07Å; V456-R460 PolarHBondContact O-N 3.12Å; H457-R460 PolarHBondContact O-N 3.1Å; R460-G462 PolarHBondContact O-N 3.15Å; R460-D478 PolarHBondContact NE-O 3.43Å; R460-D478 VanDerWaalsContact NE-O 3.11Å; R460-D478 PolarHBondContact NH2-O 3.18Å
461A89.9Confident91Very high56 Ų5640.3 Ų40.346%0.46322%0.215SC..THydrogen-bonded Turntrans-77.9-0.4176.500000113.5H457 S458 F459 K463H457-A461 WeakPolarHBondContact O-CB 3.34Å; H457-A461 PolarHBondContact O-N 3.24Å; S458-A461 PolarHBondContact O-N 3.2Å; F459-A461 VanDerWaalsContact C-N 3.28Å; F459-A461 PolarHBondContact O-N 3.24Å; A461-K463 VanDerWaalsContact C-N 3.26Å; A461-K463 HydrophobicContact CB-CG 4.33Å; A461-K463 PolarHBondContact O-N 3.35Å
462G89.8Confident90.2Very high44 Ų4442.7 Ų42.745%0.45423%0.228SC..THydrogen-bonded Turntrans75.29.3-179.400000114.8S458 F459 R460 I464S458-G462 PolarHBondContact O-N 2.71Å; F459-G462 PolarHBondContact O-N 3.4Å; F459-G462 VanDerWaalsContact O-N 3.12Å; R460-G462 PolarHBondContact O-N 3.15Å; G462-I464 VanDerWaalsContact C-N 3.34Å
463K91.6Very high89.5Confident144 Ų14441.7 Ų41.763%0.62623%0.225SC*.SBendtrans-75.2-27176.5-61.8-178.4179.5178.70112.3S458 A461S458-K463 WeakPolarHBondContact O-CB 3.37Å; S458-K463 PolarHBondContact O-N 2.71Å; A461-K463 VanDerWaalsContact C-N 3.26Å; A461-K463 HydrophobicContact CB-CG 4.33Å; A461-K463 PolarHBondContact O-N 3.35Å
464I92.4Very high88.9Confident15 Ų1537.8 Ų37.88%0.07721%0.205CC..  trans-111.7125.2174.7-59.7161.1000107D441 T455 S458 F459 G462 V466D441-I464 HydrophobicContact CB-CD1 3.59Å; D441-I464 HydrophobicContact CB-CG1 4.06Å; D441-I464 HydrophobicContact CB-CG2 3.99Å; T455-I464 HydrophobicContact CG2-CD1 4.13Å; S458-I464 PolarHBondContact O-N 3.17Å; F459-I464 HydrophobicContact CB-CB 4.35Å; F459-I464 HydrophobicContact CB-CD1 4.44Å; F459-I464 HydrophobicContact CD2-CB 4.13Å; F459-I464 HydrophobicContact CD2-CG2 4.01Å; F459-I464 WeakPolarHBondContact CD2-O 3.4Å; G462-I464 VanDerWaalsContact C-N 3.34Å; I464-V466 WeakPolarHBondContact CG2-O 3.49Å
465W93.5Very high88.3Confident25 Ų2534 Ų3410%0.09518%0.184CC..SBendtrans-90-37.3179.5-64.8-9.5000111.7D24 F28 V30 P414 V416 I438 N439D24-W465 HydrophobicContact CB-CH2 4.47Å; F28-W465 HydrophobicContact CB-CH2 4.42Å; F28-W465 HydrophobicContact CB-CZ3 4.25Å; F28-W465 HydrophobicContact CD1-CE3 4.15Å; F28-W465 HydrophobicContact CD1-CZ3 4.28Å; F28-W465 AromaticContact CD2-CE3 3.77Å; F28-W465 HydrophobicContact CD2-CE3 3.77Å; F28-W465 AromaticContact CD2-CH2 3.67Å; F28-W465 HydrophobicContact CD2-CH2 3.67Å; F28-W465 AromaticContact CD2-CZ3 3.07Å; F28-W465 HydrophobicContact CD2-CZ3 3.07Å; F28-W465 HydrophobicContact CE1-CE3 4.31Å; F28-W465 HydrophobicContact CE1-CZ3 4.46Å; F28-W465 AromaticContact CE2-CE3 3.97Å; F28-W465 HydrophobicContact CE2-CE3 3.97Å; F28-W465 HydrophobicContact CE2-CH2 4.27Å; F28-W465 AromaticContact CE2-CZ3 3.34Å; F28-W465 HydrophobicContact CE2-CZ3 3.34Å; F28-W465 AromaticContact CG-CE3 3.88Å; F28-W465 HydrophobicContact CG-CE3 3.88Å; F28-W465 HydrophobicContact CG-CH2 4.22Å; F28-W465 AromaticContact CG-CZ3 3.62Å; F28-W465 HydrophobicContact CG-CZ3 3.62Å; F28-W465 HydrophobicContact CZ-CE3 4.23Å; F28-W465 HydrophobicContact CZ-CZ3 4.04Å; V30-W465 HydrophobicContact CG2-CZ2 4.32Å; P414-W465 HydrophobicContact CB-CB 3.79Å; P414-W465 HydrophobicContact CB-CG 4Å; P414-W465 HydrophobicContact CG-CB 4.42Å; P414-W465 HydrophobicContact CG-CG 4.18Å; V416-W465 PolarHBondContact N-O 3.1Å; I438-W465 HydrophobicContact CG2-CE3 4.35Å; N439-W465 HydrophobicContact CB-CB 4.29Å; N439-W465 HydrophobicContact CB-CD2 4.02Å; N439-W465 HydrophobicContact CB-CE3 4.31Å; N439-W465 HydrophobicContact CB-CG 3.98Å; N439-W465 PolarHBondContact O-N 2.99Å
466V95.2Very high87.3Confident0 Ų033.5 Ų33.50%018%0.181CC..EExtended strand (participates in β ladder)trans-122.6119.7-179.3-177.10000109.5M404 F412 V416 V418 L433 I438 N439 V440 D441 I464M404-V466 HydrophobicContact CE-CG1 4.33Å; F412-V466 HydrophobicContact CE1-CG2 4.44Å; F412-V466 HydrophobicContact CE2-CG2 3.78Å; F412-V466 HydrophobicContact CZ-CG2 3.4Å; V416-V466 HydrophobicContact CB-CG2 4.36Å; V416-V466 WeakPolarHBondContact O-CA 3.28Å; V418-V466 HydrophobicContact CG2-CG1 3.47Å; V418-V466 VanDerWaalsContact CG2-CG1 3.47Å; L433-V466 HydrophobicContact CD1-CG1 4.45Å; I438-V466 HydrophobicContact CG2-CB 4.45Å; I438-V466 HydrophobicContact CG2-CG2 3.75Å; N439-V466 PolarHBondContact O-N 3.31Å; N439-V466 VanDerWaalsContact O-N 3.09Å; V440-V466 VanDerWaalsContact CA-O 3.26Å; V440-V466 WeakPolarHBondContact CA-O 3.23Å; V440-V466 HydrophobicContact CB-CB 4.32Å; V440-V466 HydrophobicContact CG2-CB 4.07Å; V440-V466 HydrophobicContact CG2-CG1 4.1Å; V440-V466 WeakPolarHBondContact CG2-O 3.45Å; D441-V466 PolarHBondContact N-O 3.18Å; I464-V466 WeakPolarHBondContact CG2-O 3.49Å
467L95.1Very high86.8Confident0 Ų033.5 Ų33.50%018%0.181CC..EExtended strand (participates in β ladder)trans-110.3116.8174.9-179.661.4000110.3V416 L417 V418 D441 I443 T455 F459 F479V416-L467 PolarHBondContact O-N 2.88Å; L417-L467 HydrophobicContact CD1-CB 4.11Å; L417-L467 HydrophobicContact CD1-CD2 4.08Å; L417-L467 HydrophobicContact CD1-CG 4.12Å; V418-L467 PolarHBondContact N-O 3.41Å; D441-L467 HydrophobicContact CB-CD1 4.41Å; I443-L467 HydrophobicContact CB-CD1 4.23Å; I443-L467 HydrophobicContact CG2-CD1 3.94Å; I443-L467 HydrophobicContact CG2-CD2 4.16Å; I443-L467 HydrophobicContact CG2-CG 4.06Å; T455-L467 HydrophobicContact CG2-CD1 3.49Å; T455-L467 VanDerWaalsContact CG2-CD1 3.49Å; F459-L467 HydrophobicContact CB-CD2 4.28Å; F459-L467 HydrophobicContact CD1-CD2 3.98Å; F459-L467 HydrophobicContact CD2-CB 3.58Å; F459-L467 HydrophobicContact CD2-CD2 4.19Å; F459-L467 HydrophobicContact CD2-CG 4.48Å; F459-L467 HydrophobicContact CE1-CD2 4.29Å; F459-L467 HydrophobicContact CE2-CB 3.46Å; F459-L467 VanDerWaalsContact CE2-CB 3.46Å; F459-L467 HydrophobicContact CE2-CD2 4.48Å; F459-L467 HydrophobicContact CG-CB 4.16Å; F459-L467 HydrophobicContact CG-CD2 3.9Å; F459-L467 HydrophobicContact CZ-CB 3.96Å; L467-F479 HydrophobicContact CD2-CD1 4.01Å; L467-F479 HydrophobicContact CD2-CE1 3.41Å; L467-F479 VanDerWaalsContact CD2-CE1 3.41Å; L467-F479 HydrophobicContact CD2-CZ 4.32Å
468I95.5Very high86.1Confident0 Ų029.3 Ų29.30%016%0.163CC..EExtended strand (participates in β ladder)trans-88.9129.9176.4-55.2165000109V418 V420 A426 L429 F430 L433 V440 D441 V442 I443V418-I468 HydrophobicContact CB-CG1 4.25Å; V418-I468 CarbonylContact O-C 3.53Å; V418-I468 WeakPolarHBondContact O-CA 3.45Å; V420-I468 HydrophobicContact CG1-CG2 4.04Å; V420-I468 HydrophobicContact CG2-CG2 3.9Å; A426-I468 HydrophobicContact CB-CG2 3.97Å; L429-I468 HydrophobicContact CB-CD1 4.17Å; L429-I468 HydrophobicContact CD2-CD1 4.12Å; L429-I468 HydrophobicContact CD2-CG1 4.33Å; L429-I468 HydrophobicContact CD2-CG2 4.37Å; L429-I468 HydrophobicContact CG-CD1 3.91Å; F430-I468 HydrophobicContact CB-CD1 3.9Å; L433-I468 HydrophobicContact CD1-CD1 4.22Å; V440-I468 HydrophobicContact CG2-CD1 3.66Å; V440-I468 HydrophobicContact CG2-CG1 3.98Å; D441-I468 PolarHBondContact O-N 2.75Å; V442-I468 CarbonylContact C-O 3.58Å; V442-I468 WeakPolarHBondContact CA-O 3.44Å; V442-I468 HydrophobicContact CB-CB 4.4Å; V442-I468 HydrophobicContact CG2-CB 4.12Å; V442-I468 HydrophobicContact CG2-CG2 4.26Å; I443-I468 PolarHBondContact N-O 2.77Å
469C93.8Very high85.3Confident0 Ų027.9 Ų27.90%015%0.153CC..EExtended strand (participates in β ladder)trans-144157.8-178.868.80000112.8V418 F419 V420 I443V418-C469 PolarHBondContact O-N 2.86Å; F419-C469 WeakPolarHBondContact CA-O 3.22Å; F419-C469 VanDerWaalsContact CD1-SG 3.57Å; F419-C469 WeakPolarHBondContact CE1-SG 3.31Å; V420-C469 PolarHBondContact N-O 3.34Å; I443-C469 HydrophobicContact CG2-CB 3.39Å
470T90.7Very high84.5Confident14 Ų1434.2 Ų34.29%0.08618%0.18CC..EExtended strand (participates in β ladder)trans-90.8152.1167.257.50000110V420 I423 L472 L473 A474V420-T470 HydrophobicContact CG2-CG2 4.34Å; I423-T470 HydrophobicContact CG1-CG2 4.34Å; T470-L472 PolarHBondContact O-N 3.11Å; T470-L473 PolarHBondContact O-N 2.91Å; T470-A474 PolarHBondContact O-N 3.49Å
471A82.4Confident84Confident14 Ų1431.7 Ų31.712%0.11619%0.187CC..THydrogen-bonded Turntrans-61.1-29.4-174.700000114.6F419 R475 E496F419-A471 HydrophobicContact CD1-CB 4.46Å; A471-R475 PolarHBondContact O-NH1 3.29Å; A471-R475 VanDerWaalsContact O-NH1 3.08Å; A471-E496 HydrophobicContact CB-CG 4.07Å; A471-E496 WeakPolarHBondContact CB-OE1 3.48Å
472L74.4Confident84Confident97 Ų9729.2 Ų29.251%0.50817%0.166SC..THydrogen-bonded Turntrans-67.7-43.5178.2-172.164.7000111.1T244 T470 R475T244-L472 HydrophobicContact CG2-CD1 4.02Å; T244-L472 HydrophobicContact CG2-CG 4.44Å; T470-L472 PolarHBondContact O-N 3.11Å; L472-R475 PolarHBondContact O-N 2.87Å
473L74.8Confident84.1Confident8 Ų830.5 Ų30.54%0.04216%0.163CC..THydrogen-bonded Turntrans-79.5-25.5-174.6-80.5159.6000114.4H444 A445 R452 T470 R475 I477H444-L473 HydrophobicContact CB-CD1 4.37Å; A445-L473 HydrophobicContact CB-CD1 3.97Å; R452-L473 VanDerWaalsContact NH1-CD2 3.28Å; T470-L473 PolarHBondContact O-N 2.91Å; L473-R475 PolarHBondContact O-N 3.45Å; L473-I477 WeakPolarHBondContact O-CD1 3.41Å; L473-I477 WeakPolarHBondContact O-CG1 3.41Å
474A72.8Confident84.2Confident2 Ų224.4 Ų24.42%0.01714%0.137CC..THydrogen-bonded Turntrans-65.9-15.5175.600000113.4F419 T470 F479 R503F419-A474 HydrophobicContact CE1-CB 3.32Å; F419-A474 HydrophobicContact CZ-CB 3.6Å; T470-A474 PolarHBondContact O-N 3.49Å; A474-F479 HydrophobicContact CB-CE2 3.87Å; A474-F479 HydrophobicContact CB-CZ 4.41Å; A474-R503 PolarHBondContact O-NH1 3.45Å
475R78.8Confident84.3Confident5 Ų523.7 Ų23.72%0.01913%0.133CC..THydrogen-bonded Turntrans-72.7138.4176.8-71.5-179.616893.7-7.1111.1T244 E246 E320 K323 E326 A471 L472 L473 I477 H499T244-R475 HydrophobicContact CG2-CB 3.96Å; T244-R475 PolarHBondContact OG1-O 3.47Å; E246-R475 WeakPolarHBondContact CB-O 3.41Å; E320-R475 WeakPolarHBondContact OE2-CD 3.36Å; E320-R475 IonicContact OE2-NE 3.67Å; E320-R475 PolarHBondContact OE2-NE 2.78Å; K323-R475 VanDerWaalsContact CD-NH2 3.33Å; E326-R475 IonicContact OE1-NH2 2.88Å; A471-R475 PolarHBondContact O-NH1 3.29Å; A471-R475 VanDerWaalsContact O-NH1 3.08Å; L472-R475 PolarHBondContact O-N 2.87Å; L473-R475 PolarHBondContact O-N 3.45Å; R475-I477 PolarHBondContact O-N 3.38Å; R475-H499 PolarHBondContact NH2-ND1 2.84Å
476G71Confident84.4Confident3 Ų322.5 Ų22.53%0.03113%0.128CC..THydrogen-bonded Turntrans69-6.8-175.800000116.3L247 Q250L247-G476 VanDerWaalsContact CA-CA 3.43Å; Q250-G476 PolarHBondContact OE1-O 3.24Å; Q250-G476 VanDerWaalsContact OE1-O 3.09Å
477I78.8Confident84.5Confident13 Ų1322.5 Ų22.57%0.06713%0.128CC..  trans-86.4120.1168.8-55.6-177.3000108E246 I443 V456 L473 R475 F479 R503E246-I477 HydrophobicContact CB-CG1 4.11Å; E246-I477 HydrophobicContact CG-CD1 4.37Å; E246-I477 HydrophobicContact CG-CG1 4.05Å; I443-I477 HydrophobicContact CD1-CD1 3.56Å; V456-I477 HydrophobicContact CG1-CG2 4.03Å; V456-I477 HydrophobicContact CG2-CD1 4.25Å; V456-I477 HydrophobicContact CG2-CG2 3.73Å; L473-I477 WeakPolarHBondContact O-CD1 3.41Å; L473-I477 WeakPolarHBondContact O-CG1 3.41Å; R475-I477 PolarHBondContact O-N 3.38Å; I477-F479 HydrophobicContact CB-CD2 4.35Å; I477-F479 HydrophobicContact CB-CE1 4.16Å; I477-F479 HydrophobicContact CB-CE2 3.73Å; I477-F479 HydrophobicContact CB-CZ 3.64Å; I477-F479 HydrophobicContact CD1-CZ 4.12Å; I477-F479 HydrophobicContact CG1-CZ 4.46Å; I477-F479 HydrophobicContact CG2-CD1 3.83Å; I477-F479 HydrophobicContact CG2-CD2 4.21Å; I477-F479 HydrophobicContact CG2-CE1 3.39Å; I477-F479 HydrophobicContact CG2-CE2 3.83Å; I477-F479 HydrophobicContact CG2-CG 4.22Å; I477-F479 HydrophobicContact CG2-CZ 3.41Å; I477-F479 VanDerWaalsContact CG2-CZ 3.41Å; I477-F479 PolarHBondContact O-N 3.33Å; I477-R503 PolarHBondContact O-NH1 2.96Å
478D74.7Confident84.6Confident37 Ų3722.5 Ų22.520%0.19813%0.129CC..  trans-82.591.2173.4-177.435.1000109.8R460 K480 R506R460-D478 PolarHBondContact NE-O 3.43Å; R460-D478 VanDerWaalsContact NE-O 3.11Å; R460-D478 PolarHBondContact NH2-O 3.18Å; D478-K480 PolarHBondContact O-N 3.22Å; D478-K480 WeakPolarHBondContact OD2-CE 2.96Å; D478-K480 VanDerWaalsContact OD2-CG 3.26Å; D478-K480 WeakPolarHBondContact OD2-CG 3.38Å; D478-R506 IonicContact OD1-NH1 2.69Å; D478-R506 PolarHBondContact OD1-NH1 2.87Å
479F77.3Confident84.6Confident1 Ų122.5 Ų22.50%0.00413%0.129CC..  trans-79.897.4169.4-54.9-73.2000108L417 F459 L467 A474 I477 V482 R503L417-F479 HydrophobicContact CD1-CD1 4.19Å; L417-F479 HydrophobicContact CD1-CD2 4.41Å; L417-F479 HydrophobicContact CD1-CE1 4.02Å; L417-F479 HydrophobicContact CD1-CE2 4.22Å; L417-F479 HydrophobicContact CD1-CG 4.39Å; L417-F479 HydrophobicContact CD1-CZ 4.01Å; L417-F479 HydrophobicContact CD2-CD2 3.76Å; L417-F479 HydrophobicContact CD2-CE2 3.91Å; L417-F479 HydrophobicContact CD2-CG 4.24Å; F459-F479 AromaticContact CD1-CD1 3.96Å; F459-F479 HydrophobicContact CD1-CD1 3.96Å; F459-F479 HydrophobicContact CE1-CB 4.23Å; F459-F479 AromaticContact CE1-CD1 3.79Å; F459-F479 HydrophobicContact CE1-CD1 3.79Å; F459-F479 HydrophobicContact CE1-CG 4.4Å; L467-F479 HydrophobicContact CD2-CD1 4.01Å; L467-F479 HydrophobicContact CD2-CE1 3.41Å; L467-F479 VanDerWaalsContact CD2-CE1 3.41Å; L467-F479 HydrophobicContact CD2-CZ 4.32Å; A474-F479 HydrophobicContact CB-CE2 3.87Å; A474-F479 HydrophobicContact CB-CZ 4.41Å; I477-F479 HydrophobicContact CB-CD2 4.35Å; I477-F479 HydrophobicContact CB-CE1 4.16Å; I477-F479 HydrophobicContact CB-CE2 3.73Å; I477-F479 HydrophobicContact CB-CZ 3.64Å; I477-F479 HydrophobicContact CD1-CZ 4.12Å; I477-F479 HydrophobicContact CG1-CZ 4.46Å; I477-F479 HydrophobicContact CG2-CD1 3.83Å; I477-F479 HydrophobicContact CG2-CD2 4.21Å; I477-F479 HydrophobicContact CG2-CE1 3.39Å; I477-F479 HydrophobicContact CG2-CE2 3.83Å; I477-F479 HydrophobicContact CG2-CG 4.22Å; I477-F479 HydrophobicContact CG2-CZ 3.41Å; I477-F479 VanDerWaalsContact CG2-CZ 3.41Å; I477-F479 PolarHBondContact O-N 3.33Å; F479-V482 HydrophobicContact CB-CG2 3.39Å; F479-V482 HydrophobicContact CG-CG2 4.45Å; F479-R503 HydrophobicContact CD2-CG 4.36Å
480K74Confident84.6Confident135 Ų13522.6 Ų22.659%0.58713%0.129SC*.THydrogen-bonded Turntrans-76135.5179.5-65.2-170.9176.1-170.80109.9D478 V482D478-K480 PolarHBondContact O-N 3.22Å; D478-K480 WeakPolarHBondContact OD2-CE 2.96Å; D478-K480 VanDerWaalsContact OD2-CG 3.26Å; D478-K480 WeakPolarHBondContact OD2-CG 3.38Å; K480-V482 VanDerWaalsContact C-N 3.34Å; K480-V482 PolarHBondContact O-N 2.89Å
481G78.1Confident84.6Confident52 Ų5222 Ų2254%0.53613%0.125SC..THydrogen-bonded Turntrans67.226.1170.100000115.5P415 N483P415-G481 VanDerWaalsContact CD-O 3.27Å; P415-G481 WeakPolarHBondContact CD-O 3.23Å; P415-G481 WeakPolarHBondContact CG-O 3.26Å; G481-N483 PolarHBondContact O-N 3.44Å; G481-N483 PolarHBondContact O-OD1 2.81Å
482V89.3Confident84.8Confident5 Ų522.4 Ų22.43%0.0313%0.126CC..BIsolated β-bridgetrans-63.7118.8174.2-179.30000109L417 F459 F479 K480 L484 V485 T504L417-V482 HydrophobicContact CB-CG1 3.92Å; F459-V482 HydrophobicContact CE1-CG2 4.15Å; F459-V482 HydrophobicContact CZ-CG2 4.37Å; F479-V482 HydrophobicContact CB-CG2 3.39Å; F479-V482 HydrophobicContact CG-CG2 4.45Å; K480-V482 VanDerWaalsContact C-N 3.34Å; K480-V482 PolarHBondContact O-N 2.89Å; V482-L484 VanDerWaalsContact CG1-O 3.28Å; V482-L484 WeakPolarHBondContact CG1-O 3.22Å; V482-V485 HydrophobicContact CG1-CG2 3.92Å; V482-T504 VanDerWaalsContact O-CB 3.22Å; V482-T504 WeakPolarHBondContact O-CB 3.47Å; V482-T504 PolarHBondContact O-OG1 3.07Å
483N91.2Very high85.3Confident71 Ų7118.2 Ų18.238%0.3811%0.105SC..  trans-86.2-36.3-179.1-69-32000111.6N413 P414 P415 G481 K512N413-N483 HydrophobicContact CB-CB 4.4Å; N413-N483 WeakPolarHBondContact O-CB 3.31Å; P414-N483 PolarHBondContact O-ND2 2.86Å; P415-N483 PolarHBondContact O-N 2.84Å; G481-N483 PolarHBondContact O-N 3.44Å; G481-N483 PolarHBondContact O-OD1 2.81Å; N483-K512 PolarHBondContact O-N 3.04Å
484L93.9Very high85.8Confident15 Ų1518.9 Ų18.98%0.07911%0.111CC..EExtended strand (participates in β ladder)trans-132.8129.7-177.117863000111F412 V416 L417 V482 I486 K512 V514F412-L484 HydrophobicContact CB-CD2 3.98Å; F412-L484 HydrophobicContact CG-CD2 4.44Å; V416-L484 WeakPolarHBondContact CA-O 3.07Å; V416-L484 HydrophobicContact CG1-CB 4.18Å; V416-L484 HydrophobicContact CG1-CD2 4.13Å; V416-L484 HydrophobicContact CG1-CG 4.09Å; V416-L484 HydrophobicContact CG2-CB 4.01Å; V416-L484 HydrophobicContact CG2-CD2 4.27Å; L417-L484 PolarHBondContact N-O 2.98Å; V482-L484 VanDerWaalsContact CG1-O 3.28Å; V482-L484 WeakPolarHBondContact CG1-O 3.22Å; L484-I486 HydrophobicContact CD1-CG1 4.43Å; L484-I486 HydrophobicContact CD2-CD1 3.96Å; L484-I486 HydrophobicContact CD2-CG1 3.98Å; L484-I486 HydrophobicContact CG-CD1 4.41Å; L484-I486 HydrophobicContact CG-CG1 3.91Å; L484-K512 CarbonylContact C-O 3.39Å; L484-K512 VanDerWaalsContact CA-O 3.31Å; L484-K512 WeakPolarHBondContact CA-O 3.34Å; L484-K512 HydrophobicContact CD1-CB 3.95Å; L484-K512 HydrophobicContact CD1-CD 4.44Å; L484-K512 HydrophobicContact CD1-CG 3.85Å; L484-V514 HydrophobicContact CD1-CG2 3.96Å
485V94.6Very high86.4Confident0 Ų019.9 Ų19.90%012%0.116CC..EExtended strand (participates in β ladder)trans-107.1126.4167.6174.40000108.6L417 F419 V482 R503 T504 K512 A513 V514L417-V485 CarbonylContact O-C 3.5Å; L417-V485 WeakPolarHBondContact O-CA 3.34Å; F419-V485 HydrophobicContact CD2-CG1 3.8Å; F419-V485 HydrophobicContact CE2-CG1 3.85Å; V482-V485 HydrophobicContact CG1-CG2 3.92Å; V485-R503 HydrophobicContact CG2-CB 4.2Å; V485-T504 HydrophobicContact CB-CG2 4.35Å; V485-T504 HydrophobicContact CG2-CG2 3.71Å; V485-K512 PolarHBondContact N-O 3.3Å; V485-A513 HydrophobicContact CB-CB 4.36Å; V485-A513 CarbonylContact O-C 3.55Å; V485-A513 VanDerWaalsContact O-CA 3.23Å; V485-A513 WeakPolarHBondContact O-CA 3.43Å; V485-V514 PolarHBondContact O-N 3.28Å
486I96.6Very high86.7Confident0 Ų020.5 Ų20.50%012%0.12CC..EExtended strand (participates in β ladder)trans-111.7113.7175-55.9177.1000108.1M404 L407 V416 L417 V418 F419 L484 Y488 V514 F516M404-I486 HydrophobicContact CE-CD1 4Å; M404-I486 HydrophobicContact SD-CD1 3.76Å; M404-I486 HydrophobicContact SD-CG2 4.46Å; L407-I486 HydrophobicContact CD1-CD1 3.88Å; V416-I486 HydrophobicContact CG1-CD1 3.77Å; V416-I486 HydrophobicContact CG1-CG1 3.98Å; L417-I486 PolarHBondContact O-N 3.4Å; V418-I486 CarbonylContact C-O 3.58Å; V418-I486 VanDerWaalsContact CA-O 3.32Å; V418-I486 WeakPolarHBondContact CA-O 3.38Å; V418-I486 HydrophobicContact CG1-CB 4.43Å; V418-I486 HydrophobicContact CG2-CB 4.21Å; V418-I486 HydrophobicContact CG2-CD1 4.38Å; F419-I486 PolarHBondContact N-O 2.79Å; L484-I486 HydrophobicContact CD1-CG1 4.43Å; L484-I486 HydrophobicContact CD2-CD1 3.96Å; L484-I486 HydrophobicContact CD2-CG1 3.98Å; L484-I486 HydrophobicContact CG-CD1 4.41Å; L484-I486 HydrophobicContact CG-CG1 3.91Å; I486-Y488 PolarHBondContact O-N 3.28Å; I486-V514 CarbonylContact C-O 3.11Å; I486-V514 WeakPolarHBondContact CA-O 3.26Å; I486-F516 HydrophobicContact CG2-CE1 4.37Å; I486-F516 HydrophobicContact CG2-CE2 4.19Å; I486-F516 HydrophobicContact CG2-CZ 4.04Å
487N96.8Very high87.6Confident0 Ų020.4 Ų20.40%012%0.118CC..EExtended strand (participates in β ladder)trans-83.988.1166.6-63.6-54.3000107.9D489 R500 V514 T515 F516N487-D489 VanDerWaalsContact C-N 3.34Å; N487-R500 WeakPolarHBondContact OD1-CD 3.46Å; N487-R500 PolarHBondContact OD1-NH1 2.9Å; N487-V514 PolarHBondContact N-O 3.09Å; N487-T515 HydrophobicContact CB-CG2 3.84Å; N487-T515 PolarHBondContact ND2-OG1 3.43Å; N487-F516 PolarHBondContact O-N 3.45Å
488Y96.8Very high88Confident1 Ų120.1 Ų20.10%0.00412%0.117CC..SBendtrans-64.4-44.4177.8-175.2-83.8000110.4K400 L401 M404 F419 V420 L429 I486 F516 I567K400-Y488 HydrophobicContact CB-CD2 4.4Å; K400-Y488 HydrophobicContact CB-CE1 3.83Å; K400-Y488 HydrophobicContact CB-CE2 3.73Å; K400-Y488 WeakPolarHBondContact CB-OH 3.47Å; K400-Y488 HydrophobicContact CD-CD1 4.08Å; K400-Y488 HydrophobicContact CD-CE1 3.74Å; K400-Y488 VanDerWaalsContact CD-O 3.31Å; K400-Y488 WeakPolarHBondContact CD-O 3.28Å; K400-Y488 VanDerWaalsContact CE-O 3.22Å; K400-Y488 WeakPolarHBondContact CE-O 3.49Å; K400-Y488 HydrophobicContact CG-CE1 4.43Å; K400-Y488 WeakPolarHBondContact O-CE2 3.23Å; L401-Y488 PolarHBondContact N-OH 2.95Å; M404-Y488 HydrophobicContact CB-CD2 4.44Å; M404-Y488 HydrophobicContact CB-CE2 4.15Å; F419-Y488 WeakPolarHBondContact O-CB 3.13Å; F419-Y488 PolarHBondContact O-N 2.88Å; V420-Y488 HydrophobicContact CG1-CD1 4.2Å; V420-Y488 HydrophobicContact CG1-CG 4.4Å; L429-Y488 HydrophobicContact CD1-CD2 4.23Å; L429-Y488 HydrophobicContact CD1-CE2 3.76Å; L429-Y488 HydrophobicContact CD2-CD1 4.43Å; L429-Y488 HydrophobicContact CD2-CD2 3.91Å; L429-Y488 HydrophobicContact CD2-CE2 4.23Å; L429-Y488 HydrophobicContact CD2-CG 4.01Å; I486-Y488 PolarHBondContact O-N 3.28Å; Y488-F516 AromaticContact CD2-CD2 3.99Å; Y488-F516 HydrophobicContact CD2-CD2 3.99Å; Y488-F516 AromaticContact CD2-CE2 3.91Å; Y488-F516 HydrophobicContact CD2-CE2 3.91Å; Y488-F516 HydrophobicContact CE2-CD2 4.49Å; Y488-F516 HydrophobicContact CE2-CE2 4.36Å; Y488-F516 HydrophobicContact CG-CD2 4.4Å; Y488-I567 HydrophobicContact CD1-CD1 4.16Å; Y488-I567 HydrophobicContact CE1-CD1 3.4Å; Y488-I567 VanDerWaalsContact CE1-CD1 3.4Å; Y488-I567 HydrophobicContact CE1-CG1 4.1Å; Y488-I567 WeakPolarHBondContact OH-CG2 3.29Å
489D95.4Very high88.5Confident0 Ų018.6 Ų18.60%011%0.108CC..SBendtrans-100.7134.1167.7-67.9-39.5000111.1K400 F419 V420 Q421 R425 N487 R500 R564K400-D489 IonicContact NZ-OD1 3.99Å; K400-D489 PolarHBondContact NZ-OD1 2.97Å; F419-D489 PolarHBondContact O-N 3.47Å; F419-D489 VanDerWaalsContact O-N 3.15Å; V420-D489 WeakPolarHBondContact CA-OD2 3.16Å; Q421-D489 HydrophobicContact CB-CB 3.91Å; Q421-D489 WeakPolarHBondContact CB-OD2 3.27Å; Q421-D489 PolarHBondContact N-OD2 3.3Å; R425-D489 IonicContact CZ-OD1 3.57Å; R425-D489 IonicContact CZ-OD2 2.87Å; R425-D489 IonicContact NE-OD1 3.69Å; R425-D489 PolarHBondContact NE-OD1 2.9Å; R425-D489 IonicContact NE-OD2 2.86Å; R425-D489 PolarHBondContact NE-OD2 3.5Å; R425-D489 IonicContact NH2-OD1 2.75Å; R425-D489 PolarHBondContact NH2-OD1 2.99Å; R425-D489 IonicContact NH2-OD2 2.82Å; N487-D489 VanDerWaalsContact C-N 3.34Å; D489-R500 PolarHBondContact O-NH1 3.34Å; D489-R564 WeakPolarHBondContact OD1-CD 3.2Å; D489-R564 IonicContact OD1-NE 3.17Å
490F94Very high89.1Confident2 Ų218.9 Ų18.91%0.00911%0.11CC..PPolyproline II helixtrans-59.2135.1179.2-157.4-95.1000110.8L391 T515 F516 F517 D521 L524 L525 V528L391-F490 HydrophobicContact CD2-CE2 4.27Å; F490-T515 HydrophobicContact CD2-CG2 3.68Å; F490-T515 HydrophobicContact CE2-CG2 3.71Å; F490-F516 WeakPolarHBondContact CD2-O 3.32Å; F490-F517 HydrophobicContact CD2-CB 3.52Å; F490-F517 HydrophobicContact CE2-CB 3.78Å; F490-F517 HydrophobicContact CG-CB 4.45Å; F490-D521 HydrophobicContact CB-CB 3.97Å; F490-D521 WeakPolarHBondContact CB-OD1 3.46Å; F490-D521 WeakPolarHBondContact CB-OD2 3.49Å; F490-D521 HydrophobicContact CD1-CB 4.17Å; F490-D521 HydrophobicContact CD2-CB 4.32Å; F490-D521 HydrophobicContact CG-CB 3.88Å; F490-L524 HydrophobicContact CD1-CB 3.92Å; F490-L524 HydrophobicContact CD1-CD1 4.44Å; F490-L524 HydrophobicContact CE1-CB 3.7Å; F490-L525 HydrophobicContact CE2-CD1 3.74Å; F490-L525 HydrophobicContact CZ-CB 4.43Å; F490-L525 HydrophobicContact CZ-CD1 3.71Å; F490-V528 HydrophobicContact CE1-CB 4.29Å; F490-V528 HydrophobicContact CE1-CG2 3.67Å; F490-V528 HydrophobicContact CZ-CB 3.73Å; F490-V528 HydrophobicContact CZ-CG1 4.12Å; F490-V528 HydrophobicContact CZ-CG2 3.6Å
491P91.4Very high89.8Confident0 Ų012.6 Ų12.60%08%0.082CC..PPolyproline II helixtrans-66.1146.3-18030-38.1000111.7S493 E496 Y497 V528P491-S493 VanDerWaalsContact C-N 3.27Å; P491-S493 PolarHBondContact O-N 2.89Å; P491-E496 HydrophobicContact CB-CB 4.28Å; P491-E496 HydrophobicContact CB-CG 4.23Å; P491-Y497 HydrophobicContact CG-CD2 3.91Å; P491-Y497 HydrophobicContact CG-CG 4.24Å; P491-V528 HydrophobicContact CG-CG2 3.83Å
492T86.8Confident90.1Very high24 Ų2410.2 Ų10.215%0.1476%0.058CC..SBendtrans-76.9-15.7-179.362.80000113E496 P561T492-E496 WeakPolarHBondContact CB-OE2 3.42Å; T492-E496 PolarHBondContact N-OE2 3.31Å; T492-E496 PolarHBondContact OG1-OE2 3.48Å; T492-P561 HydrophobicContact CG2-CB 4.37Å; T492-P561 HydrophobicContact CG2-CG 4.45Å
493S84.6Confident90Very high8 Ų810.4 Ų10.46%0.0566%0.058CC..SBendtrans-151.6159.6178.172.70000112.4P491 V495 E496 Y497P491-S493 VanDerWaalsContact C-N 3.27Å; P491-S493 PolarHBondContact O-N 2.89Å; S493-V495 PolarHBondContact O-N 3.08Å; S493-E496 PolarHBondContact O-N 2.65Å; S493-E496 WeakPolarHBondContact OG-CB 3.45Å; S493-E496 PolarHBondContact OG-N 2.95Å; S493-E496 VanDerWaalsContact OG-N 3.1Å; S493-Y497 PolarHBondContact O-N 3.5Å
494S85.5Confident89.8Confident23 Ų237.1 Ų7.116%0.1614%0.041CC..Hα-helixtrans-61.6-31.617256.10000112.9Y497 I498S494-Y497 WeakPolarHBondContact O-CB 3.3Å; S494-Y497 PolarHBondContact O-N 3.29Å; S494-I498 VanDerWaalsContact O-CG1 3.29Å; S494-I498 WeakPolarHBondContact O-CG1 3.43Å; S494-I498 PolarHBondContact O-N 2.63Å
495V84Confident89Confident22 Ų226.7 Ų6.713%0.1334%0.039CC..Hα-helixtrans-67.1-46.1177.1176.70000110.3D322 T356 S493 Y497 I498 H499D322-V495 HydrophobicContact CB-CG1 4.2Å; T356-V495 HydrophobicContact CG2-CB 4.37Å; T356-V495 HydrophobicContact CG2-CG1 4.03Å; T356-V495 HydrophobicContact CG2-CG2 4.24Å; T356-V495 WeakPolarHBondContact OG1-CG2 3.37Å; S493-V495 PolarHBondContact O-N 3.08Å; V495-Y497 VanDerWaalsContact C-N 3.33Å; V495-Y497 PolarHBondContact O-N 3.33Å; V495-I498 PolarHBondContact O-N 2.83Å; V495-H499 VanDerWaalsContact CG1-CE1 3.45Å; V495-H499 WeakPolarHBondContact CG1-CE1 3.47Å; V495-H499 VanDerWaalsContact O-CG 3.3Å; V495-H499 PolarHBondContact O-N 3.37Å; V495-H499 VanDerWaalsContact O-N 3.12Å; V495-H499 PolarHBondContact O-ND1 3.16Å
496E86.4Confident88Confident19 Ų199.3 Ų9.39%0.0895%0.049CC..Hα-helixtrans-60-44.6173.7-173.7-178.9-171.900111.3A471 P491 T492 S493 I498 H499 R500A471-E496 HydrophobicContact CB-CG 4.07Å; A471-E496 WeakPolarHBondContact CB-OE1 3.48Å; P491-E496 HydrophobicContact CB-CB 4.28Å; P491-E496 HydrophobicContact CB-CG 4.23Å; T492-E496 WeakPolarHBondContact CB-OE2 3.42Å; T492-E496 PolarHBondContact N-OE2 3.31Å; T492-E496 PolarHBondContact OG1-OE2 3.48Å; S493-E496 PolarHBondContact O-N 2.65Å; S493-E496 WeakPolarHBondContact OG-CB 3.45Å; S493-E496 PolarHBondContact OG-N 2.95Å; S493-E496 VanDerWaalsContact OG-N 3.1Å; E496-I498 PolarHBondContact O-N 2.91Å; E496-H499 WeakPolarHBondContact O-CB 3.29Å; E496-H499 PolarHBondContact O-N 3.42Å; E496-R500 HydrophobicContact CG-CG 4.41Å; E496-R500 VanDerWaalsContact O-CG 3.28Å; E496-R500 WeakPolarHBondContact O-CG 3.42Å; E496-R500 PolarHBondContact O-N 3.07Å; E496-R500 IonicContact OE1-CZ 2.89Å; E496-R500 VanDerWaalsContact OE1-CZ 3.32Å; E496-R500 IonicContact OE1-NE 3.35Å; E496-R500 PolarHBondContact OE1-NE 3.28Å; E496-R500 IonicContact OE1-NH2 3.73Å; E496-R500 PolarHBondContact OE1-NH2 3.47Å; E496-R500 IonicContact OE2-NH2 3.89Å
497Y90Very high86.4Confident0 Ų014 Ų140%09%0.088CC..Hα-helixtrans-54.8-53.7176.1179.7-111.8000112.6Q389 P491 S493 S494 V495 H499 R500 I501 T515 V528 V531 I532Q389-Y497 WeakPolarHBondContact CG-OH 3.32Å; Q389-Y497 PolarHBondContact OE1-OH 3.15Å; Q389-Y497 VanDerWaalsContact OE1-OH 3.1Å; P491-Y497 HydrophobicContact CG-CD2 3.91Å; P491-Y497 HydrophobicContact CG-CG 4.24Å; S493-Y497 PolarHBondContact O-N 3.5Å; S494-Y497 WeakPolarHBondContact O-CB 3.3Å; S494-Y497 PolarHBondContact O-N 3.29Å; V495-Y497 VanDerWaalsContact C-N 3.33Å; V495-Y497 PolarHBondContact O-N 3.33Å; Y497-H499 VanDerWaalsContact C-N 3.25Å; Y497-H499 PolarHBondContact O-N 3.39Å; Y497-R500 PolarHBondContact O-N 3.08Å; Y497-R500 VanDerWaalsContact O-N 3.08Å; Y497-I501 HydrophobicContact CD1-CD1 4.12Å; Y497-I501 HydrophobicContact CD2-CG2 4.1Å; Y497-I501 HydrophobicContact CE1-CD1 3.62Å; Y497-I501 HydrophobicContact CE1-CG2 4.44Å; Y497-I501 HydrophobicContact CE2-CG2 3.66Å; Y497-I501 WeakPolarHBondContact O-CG1 3.44Å; Y497-I501 PolarHBondContact O-N 2.88Å; Y497-T515 WeakPolarHBondContact CE2-OG1 3.48Å; Y497-V528 HydrophobicContact CD1-CG1 3.82Å; Y497-V528 HydrophobicContact CD2-CG1 3.76Å; Y497-V528 HydrophobicContact CE1-CG1 3.8Å; Y497-V528 HydrophobicContact CE2-CG1 3.74Å; Y497-V528 HydrophobicContact CG-CG1 3.78Å; Y497-V528 HydrophobicContact CG-CG2 4.22Å; Y497-V531 HydrophobicContact CD1-CB 4.24Å; Y497-V531 HydrophobicContact CD1-CG1 3.98Å; Y497-V531 HydrophobicContact CE1-CB 4.34Å; Y497-V531 HydrophobicContact CE1-CG1 4.02Å; Y497-I532 HydrophobicContact CE1-CD1 4.47Å; Y497-I532 HydrophobicContact CE1-CG1 3.9Å; Y497-I532 WeakPolarHBondContact OH-CD1 3.18Å; Y497-I532 VanDerWaalsContact OH-CG1 3.29Å; Y497-I532 WeakPolarHBondContact OH-CG1 3.43Å
498I87.1Confident85.1Confident7 Ų717 Ų174%0.03612%0.119CC..Hα-helixtrans-55.8-41.6179-68.8164.6000110.8T356 S494 V495 E496 I501 G502 V531T356-I498 HydrophobicContact CG2-CB 4.3Å; T356-I498 HydrophobicContact CG2-CD1 3.81Å; T356-I498 HydrophobicContact CG2-CG2 4.18Å; S494-I498 VanDerWaalsContact O-CG1 3.29Å; S494-I498 WeakPolarHBondContact O-CG1 3.43Å; S494-I498 PolarHBondContact O-N 2.63Å; V495-I498 PolarHBondContact O-N 2.83Å; E496-I498 PolarHBondContact O-N 2.91Å; I498-I501 WeakPolarHBondContact O-CG1 3.47Å; I498-G502 PolarHBondContact O-N 3.01Å; I498-V531 HydrophobicContact CD1-CG1 4.14Å; I498-V531 HydrophobicContact CD1-CG2 4.25Å; I498-V531 HydrophobicContact CG1-CG1 3.76Å; I498-V531 HydrophobicContact CG1-CG2 4.49Å
499H84.5Confident84.1Confident6 Ų622 Ų223%0.02815%0.146CC..Hα-helixtrans-66.3-36.9178.1-71.6139.8000114.4D322 A355 R475 V495 E496 Y497 R503D322-H499 IonicContact OD1-CE1 3.72Å; D322-H499 IonicContact OD2-CE1 3.95Å; D322-H499 IonicContact OD2-NE2 2.77Å; A355-H499 WeakPolarHBondContact CB-NE2 3.4Å; R475-H499 PolarHBondContact NH2-ND1 2.84Å; V495-H499 VanDerWaalsContact CG1-CE1 3.45Å; V495-H499 WeakPolarHBondContact CG1-CE1 3.47Å; V495-H499 VanDerWaalsContact O-CG 3.3Å; V495-H499 PolarHBondContact O-N 3.37Å; V495-H499 VanDerWaalsContact O-N 3.12Å; V495-H499 PolarHBondContact O-ND1 3.16Å; E496-H499 WeakPolarHBondContact O-CB 3.29Å; E496-H499 PolarHBondContact O-N 3.42Å; Y497-H499 VanDerWaalsContact C-N 3.25Å; Y497-H499 PolarHBondContact O-N 3.39Å; H499-R503 PolarHBondContact O-NE 3.47Å
500R90.2Very high83.6Confident7 Ų732.8 Ų32.83%0.02619%0.187CC..Hα-helixtrans-70.2-49.7179.4-70.1-177.8-173.6-169.92110.3F419 N487 D489 E496 Y497 G502 R503F419-R500 HydrophobicContact CD1-CG 3.79Å; F419-R500 HydrophobicContact CD2-CB 3.7Å; F419-R500 HydrophobicContact CD2-CG 3.76Å; F419-R500 HydrophobicContact CE1-CB 4.45Å; F419-R500 HydrophobicContact CE1-CG 3.78Å; F419-R500 HydrophobicContact CE2-CB 3.53Å; F419-R500 HydrophobicContact CE2-CG 3.77Å; F419-R500 HydrophobicContact CG-CB 4.24Å; F419-R500 HydrophobicContact CG-CG 3.77Å; F419-R500 HydrophobicContact CZ-CB 3.94Å; F419-R500 HydrophobicContact CZ-CG 3.78Å; N487-R500 WeakPolarHBondContact OD1-CD 3.46Å; N487-R500 PolarHBondContact OD1-NH1 2.9Å; D489-R500 PolarHBondContact O-NH1 3.34Å; E496-R500 HydrophobicContact CG-CG 4.41Å; E496-R500 VanDerWaalsContact O-CG 3.28Å; E496-R500 WeakPolarHBondContact O-CG 3.42Å; E496-R500 PolarHBondContact O-N 3.07Å; E496-R500 IonicContact OE1-CZ 2.89Å; E496-R500 VanDerWaalsContact OE1-CZ 3.32Å; E496-R500 IonicContact OE1-NE 3.35Å; E496-R500 PolarHBondContact OE1-NE 3.28Å; E496-R500 IonicContact OE1-NH2 3.73Å; E496-R500 PolarHBondContact OE1-NH2 3.47Å; E496-R500 IonicContact OE2-NH2 3.89Å; Y497-R500 PolarHBondContact O-N 3.08Å; Y497-R500 VanDerWaalsContact O-N 3.08Å; R500-G502 VanDerWaalsContact C-N 3.33Å; R500-G502 PolarHBondContact O-N 2.97Å; R500-R503 VanDerWaalsContact O-CB 3.31Å; R500-R503 WeakPolarHBondContact O-CB 3.43Å; R500-R503 WeakPolarHBondContact O-CG 3.46Å; R500-R503 PolarHBondContact O-N 2.76Å
501I89.3Confident83.4Confident2 Ų233.1 Ų33.11%0.0119%0.19CC..Hα-helixtrans-71.1-29.1179.669.8176.2000112.1A383 V387 Q389 Y497 I498 R503 T504 A513A383-I501 HydrophobicContact CB-CD1 3.55Å; V387-I501 HydrophobicContact CG1-CB 4.41Å; Q389-I501 HydrophobicContact CG-CD1 4.16Å; Y497-I501 HydrophobicContact CD1-CD1 4.12Å; Y497-I501 HydrophobicContact CD2-CG2 4.1Å; Y497-I501 HydrophobicContact CE1-CD1 3.62Å; Y497-I501 HydrophobicContact CE1-CG2 4.44Å; Y497-I501 HydrophobicContact CE2-CG2 3.66Å; Y497-I501 WeakPolarHBondContact O-CG1 3.44Å; Y497-I501 PolarHBondContact O-N 2.88Å; I498-I501 WeakPolarHBondContact O-CG1 3.47Å; I501-R503 PolarHBondContact O-N 3.44Å; I501-T504 WeakPolarHBondContact O-CG2 3.47Å; I501-T504 PolarHBondContact O-N 3.36Å; I501-A513 HydrophobicContact CB-CB 3.96Å; I501-A513 HydrophobicContact CG2-CB 3.51Å
502G84.7Confident83.4Confident2 Ų236.1 Ų36.12%0.02120%0.203CC..THydrogen-bonded Turntrans-67.24.1172.400000115.1I498 R500 T504 R506I498-G502 PolarHBondContact O-N 3.01Å; R500-G502 VanDerWaalsContact C-N 3.33Å; R500-G502 PolarHBondContact O-N 2.97Å; G502-T504 CarbonylContact C-O 3.55Å; G502-R506 PolarHBondContact O-NE 3.28Å; G502-R506 PolarHBondContact O-NH2 3.26Å
503R86.1Confident83.8Confident9 Ų935 Ų353%0.03420%0.196CC..THydrogen-bonded Turntrans-79-24.5166-56.4-63.8134177.70.8111.9L417 F419 A474 I477 F479 V485 H499 R500 I501 R506L417-R503 HydrophobicContact CD2-CB 3.71Å; L417-R503 HydrophobicContact CD2-CG 3.71Å; F419-R503 HydrophobicContact CE2-CG 4.28Å; F419-R503 HydrophobicContact CZ-CG 4.02Å; A474-R503 PolarHBondContact O-NH1 3.45Å; I477-R503 PolarHBondContact O-NH1 2.96Å; F479-R503 HydrophobicContact CD2-CG 4.36Å; V485-R503 HydrophobicContact CG2-CB 4.2Å; H499-R503 PolarHBondContact O-NE 3.47Å; R500-R503 VanDerWaalsContact O-CB 3.31Å; R500-R503 WeakPolarHBondContact O-CB 3.43Å; R500-R503 WeakPolarHBondContact O-CG 3.46Å; R500-R503 PolarHBondContact O-N 2.76Å; I501-R503 PolarHBondContact O-N 3.44Å; R503-R506 VanDerWaalsContact NH1-NH2 3.19Å
504T86.9Confident84.3Confident3 Ų334.8 Ų34.82%0.01819%0.194CC..BIsolated β-bridgetrans-103.4172.3167.3-171.10000110.4V387 V482 V485 I501 G502 R506 G511V387-T504 HydrophobicContact CG1-CG2 3.7Å; V387-T504 HydrophobicContact CG2-CG2 3.99Å; V482-T504 VanDerWaalsContact O-CB 3.22Å; V482-T504 WeakPolarHBondContact O-CB 3.47Å; V482-T504 PolarHBondContact O-OG1 3.07Å; V485-T504 HydrophobicContact CB-CG2 4.35Å; V485-T504 HydrophobicContact CG2-CG2 3.71Å; I501-T504 WeakPolarHBondContact O-CG2 3.47Å; I501-T504 PolarHBondContact O-N 3.36Å; G502-T504 CarbonylContact C-O 3.55Å; T504-R506 VanDerWaalsContact C-N 3.34Å; T504-R506 PolarHBondContact O-N 2.78Å; T504-G511 WeakPolarHBondContact OG1-CA 3.3Å
505G76.9Confident84.8Confident5 Ų533.7 Ų33.75%0.05219%0.187CC..SBendtrans72.717.2175.800000116.2T386 N509T386-G505 PolarHBondContact OG1-O 3.17Å; G505-N509 CarbonylContact C-O 3.59Å; G505-N509 WeakPolarHBondContact CA-O 3.19Å
506R73.3Confident85.4Confident55 Ų5532.6 Ų32.621%0.20818%0.18CC..G310 helixtrans-76.2144.9-176.8-66.2-177176.9-168.4-2.3112.1D478 G502 R503 T504 G508 N509D478-R506 IonicContact OD1-NH1 2.69Å; D478-R506 PolarHBondContact OD1-NH1 2.87Å; G502-R506 PolarHBondContact O-NE 3.28Å; G502-R506 PolarHBondContact O-NH2 3.26Å; R503-R506 VanDerWaalsContact NH1-NH2 3.19Å; T504-R506 VanDerWaalsContact C-N 3.34Å; T504-R506 PolarHBondContact O-N 2.78Å; R506-G508 VanDerWaalsContact C-N 3.32Å; R506-G508 PolarHBondContact O-N 2.86Å; R506-N509 WeakPolarHBondContact O-CB 3.27Å; R506-N509 PolarHBondContact O-N 2.87Å; R506-N509 PolarHBondContact O-ND2 3.44Å
507A64.7Low85.8Confident99 Ų9932 Ų3282%0.81818%0.177SC*.G310 helixtrans55.639.3174.200000114.4N509A507-N509 VanDerWaalsContact C-N 3.29Å; A507-N509 PolarHBondContact O-N 3.21Å
508G67.7Low86Confident63 Ų6332 Ų3265%0.64918%0.177SC*.G310 helixtrans84.9-9.1176.700000115.2R506R506-G508 VanDerWaalsContact C-N 3.32Å; R506-G508 PolarHBondContact O-N 2.86Å
509N76.2Confident86.1Confident105 Ų10536.7 Ų36.756%0.56120%0.199SC*.  trans-64.1146.6172.1-64.7-56000110.5T386 G505 R506 A507T386-N509 WeakPolarHBondContact CB-O 3.28Å; T386-N509 PolarHBondContact OG1-O 3.1Å; G505-N509 CarbonylContact C-O 3.59Å; G505-N509 WeakPolarHBondContact CA-O 3.19Å; R506-N509 WeakPolarHBondContact O-CB 3.27Å; R506-N509 PolarHBondContact O-N 2.87Å; R506-N509 PolarHBondContact O-ND2 3.44Å; A507-N509 VanDerWaalsContact C-N 3.29Å; A507-N509 PolarHBondContact O-N 3.21Å
510R85.6Confident86.3Confident228 Ų22841 Ų4186%0.8622%0.223SC*.  trans-77.6145.8169.5-66.4-174.7179.5-172.20109.8T386T386-R510 WeakPolarHBondContact O-CA 3.32Å
511G88.7Confident86.3Confident8 Ų840.7 Ų40.78%0.08222%0.222CC..EExtended strand (participates in β ladder)trans-136.3159.3177.600000111.1T386 V387 E388 T504T386-G511 PolarHBondContact O-N 2.95Å; T386-G511 VanDerWaalsContact O-N 3.11Å; V387-G511 CarbonylContact C-O 3.51Å; V387-G511 WeakPolarHBondContact CA-O 3.33Å; E388-G511 PolarHBondContact N-O 3.39Å; T504-G511 WeakPolarHBondContact OG1-CA 3.3Å
512K93.2Very high86.2Confident64 Ų6444.4 Ų44.428%0.27824%0.238SC..EExtended strand (participates in β ladder)trans-120141.3170.7-175.4164.8172.7134.40110.7E388 E390 N483 L484 V485 V514E388-K512 CarbonylContact O-C 3.57Å; E388-K512 WeakPolarHBondContact O-CA 3.49Å; E388-K512 IonicContact OE1-NZ 3.88Å; E388-K512 PolarHBondContact OE1-NZ 3.44Å; E390-K512 VanDerWaalsContact OE2-CE 3.23Å; E390-K512 WeakPolarHBondContact OE2-CE 3.04Å; E390-K512 IonicContact OE2-NZ 2.7Å; E390-K512 PolarHBondContact OE2-NZ 3.34Å; N483-K512 PolarHBondContact O-N 3.04Å; L484-K512 CarbonylContact C-O 3.39Å; L484-K512 VanDerWaalsContact CA-O 3.31Å; L484-K512 WeakPolarHBondContact CA-O 3.34Å; L484-K512 HydrophobicContact CD1-CB 3.95Å; L484-K512 HydrophobicContact CD1-CD 4.44Å; L484-K512 HydrophobicContact CD1-CG 3.85Å; V485-K512 PolarHBondContact N-O 3.3Å; K512-V514 HydrophobicContact CG-CG2 4.39Å
513A94.5Very high86.3Confident0 Ų047.1 Ų47.10%026%0.255CS..EExtended strand (participates in β ladder)trans-130.9117175.600000110.5V387 E388 Q389 E390 V485 I501V387-A513 HydrophobicContact CG1-CB 3.83Å; E388-A513 PolarHBondContact O-N 2.96Å; Q389-A513 WeakPolarHBondContact CA-O 3.47Å; Q389-A513 HydrophobicContact CG-CB 4.35Å; E390-A513 PolarHBondContact N-O 2.8Å; V485-A513 HydrophobicContact CB-CB 4.36Å; V485-A513 CarbonylContact O-C 3.55Å; V485-A513 VanDerWaalsContact O-CA 3.23Å; V485-A513 WeakPolarHBondContact O-CA 3.43Å; I501-A513 HydrophobicContact CB-CB 3.96Å; I501-A513 HydrophobicContact CG2-CB 3.51Å
514V95.4Very high86.3Confident3 Ų347.1 Ų47.12%0.01826%0.255CS..EExtended strand (participates in β ladder)trans-107.2129.5176.5-179.10000108.7E390 L392 L484 V485 I486 N487 K512 F516E390-V514 HydrophobicContact CB-CG2 4.33Å; L392-V514 HydrophobicContact CB-CG1 4.32Å; L484-V514 HydrophobicContact CD1-CG2 3.96Å; V485-V514 PolarHBondContact O-N 3.28Å; I486-V514 CarbonylContact C-O 3.11Å; I486-V514 WeakPolarHBondContact CA-O 3.26Å; N487-V514 PolarHBondContact N-O 3.09Å; K512-V514 HydrophobicContact CG-CG2 4.39Å; V514-F516 HydrophobicContact CG1-CD1 4.07Å; V514-F516 HydrophobicContact CG1-CE1 3.72Å
515T96.4Very high86.5Confident0 Ų047 Ų470%025%0.254CS..EExtended strand (participates in β ladder)trans-122.4115.6-176.8-57.90000110.8E390 L391 L392 N487 F490 Y497E390-T515 PolarHBondContact O-N 2.83Å; L391-T515 HydrophobicContact CD2-CG2 4.15Å; L392-T515 PolarHBondContact N-O 2.82Å; N487-T515 HydrophobicContact CB-CG2 3.84Å; N487-T515 PolarHBondContact ND2-OG1 3.43Å; F490-T515 HydrophobicContact CD2-CG2 3.68Å; F490-T515 HydrophobicContact CE2-CG2 3.71Å; Y497-T515 WeakPolarHBondContact CE2-OG1 3.48Å
516F96.5Very high87Confident0 Ų050.6 Ų50.60%027%0.267CS..EExtended strand (participates in β ladder)trans-80.1136176.6-60.1-11.9000109.5L392 V394 K400 A403 M404 L407 I486 N487 Y488 F490 V514L392-F516 HydrophobicContact CB-CD1 4.04Å; L392-F516 HydrophobicContact CB-CE1 4.44Å; L392-F516 HydrophobicContact CD2-CD1 3.87Å; L392-F516 HydrophobicContact CD2-CE1 3.59Å; L392-F516 HydrophobicContact CD2-CZ 4.47Å; L392-F516 HydrophobicContact CG-CD1 4.43Å; L392-F516 WeakPolarHBondContact O-CA 3.39Å; V394-F516 HydrophobicContact CG1-CB 4.3Å; V394-F516 HydrophobicContact CG1-CD1 4.43Å; V394-F516 HydrophobicContact CG1-CG 4.27Å; V394-F516 HydrophobicContact CG2-CB 4.43Å; K400-F516 HydrophobicContact CB-CD2 4.08Å; K400-F516 HydrophobicContact CG-CB 4.27Å; K400-F516 HydrophobicContact CG-CD2 4.24Å; K400-F516 WeakPolarHBondContact O-CE2 3.3Å; A403-F516 HydrophobicContact CB-CE1 4.16Å; A403-F516 HydrophobicContact CB-CE2 4.03Å; A403-F516 HydrophobicContact CB-CZ 3.79Å; M404-F516 HydrophobicContact CB-CE2 4.24Å; L407-F516 HydrophobicContact CD1-CE1 4Å; L407-F516 HydrophobicContact CD1-CZ 3.69Å; I486-F516 HydrophobicContact CG2-CE1 4.37Å; I486-F516 HydrophobicContact CG2-CE2 4.19Å; I486-F516 HydrophobicContact CG2-CZ 4.04Å; N487-F516 PolarHBondContact O-N 3.45Å; Y488-F516 AromaticContact CD2-CD2 3.99Å; Y488-F516 HydrophobicContact CD2-CD2 3.99Å; Y488-F516 AromaticContact CD2-CE2 3.91Å; Y488-F516 HydrophobicContact CD2-CE2 3.91Å; Y488-F516 HydrophobicContact CE2-CD2 4.49Å; Y488-F516 HydrophobicContact CE2-CE2 4.36Å; Y488-F516 HydrophobicContact CG-CD2 4.4Å; F490-F516 WeakPolarHBondContact CD2-O 3.32Å; V514-F516 HydrophobicContact CG1-CD1 4.07Å; V514-F516 HydrophobicContact CG1-CE1 3.72Å
517F94.6Very high87.6Confident6 Ų649.5 Ų49.53%0.02627%0.267CS..EExtended strand (participates in β ladder)trans-137.4142.4173.772.8-84.5000111.4L391 L392 F393 V394 F490 D521 L525 Y542L391-F517 HydrophobicContact CB-CD1 4.2Å; L391-F517 HydrophobicContact CB-CE1 3.85Å; L391-F517 HydrophobicContact CD2-CD1 4.44Å; L392-F517 VanDerWaalsContact C-CD1 3.49Å; L392-F517 VanDerWaalsContact C-CE1 3.42Å; L392-F517 VanDerWaalsContact O-CD1 3.23Å; L392-F517 WeakPolarHBondContact O-CD1 3.34Å; L392-F517 PolarHBondContact O-N 3.38Å; F393-F517 HydrophobicContact CB-CE1 3.8Å; F393-F517 HydrophobicContact CB-CE2 3.91Å; F393-F517 HydrophobicContact CB-CZ 3.45Å; F393-F517 VanDerWaalsContact CB-CZ 3.45Å; F393-F517 AromaticContact CD2-CD2 3.77Å; F393-F517 HydrophobicContact CD2-CD2 3.77Å; F393-F517 AromaticContact CD2-CE2 3.41Å; F393-F517 HydrophobicContact CD2-CE2 3.41Å; F393-F517 VanDerWaalsContact CD2-CE2 3.41Å; F393-F517 AromaticContact CD2-CZ 3.93Å; F393-F517 HydrophobicContact CD2-CZ 3.93Å; F393-F517 WeakPolarHBondContact CD2-O 3.43Å; F393-F517 HydrophobicContact CE2-CE2 4.31Å; F393-F517 HydrophobicContact CG-CE2 4.02Å; F393-F517 HydrophobicContact CG-CZ 4.06Å; F393-F517 VanDerWaalsContact N-CE1 3.26Å; V394-F517 WeakPolarHBondContact CG2-O 3.24Å; V394-F517 PolarHBondContact N-O 3.43Å; V394-F517 VanDerWaalsContact N-O 3.09Å; F490-F517 HydrophobicContact CD2-CB 3.52Å; F490-F517 HydrophobicContact CE2-CB 3.78Å; F490-F517 HydrophobicContact CG-CB 4.45Å; F517-D521 HydrophobicContact CB-CB 4.15Å; F517-L525 HydrophobicContact CB-CD1 4.41Å; F517-L525 HydrophobicContact CD1-CD1 4.37Å; F517-L525 HydrophobicContact CD2-CD1 4.16Å; F517-L525 HydrophobicContact CD2-CD2 3.92Å; F517-L525 HydrophobicContact CE2-CD2 3.76Å; F517-L525 HydrophobicContact CG-CD1 4.08Å; F517-L525 HydrophobicContact CZ-CD2 4.36Å; F517-Y542 WeakPolarHBondContact CZ-OH 3.07Å
518T93.3Very high88.8Confident0 Ų044.8 Ų44.80%023%0.228CC..  trans-105.6-179.3175.766.90000110.6V394 D520 D521V394-T518 HydrophobicContact CG2-CG2 3.95Å; T518-D520 VanDerWaalsContact C-N 3.26Å; T518-D520 PolarHBondContact O-N 3.36Å; T518-D520 PolarHBondContact OG1-N 2.66Å; T518-D521 PolarHBondContact N-OD2 3.15Å; T518-D521 PolarHBondContact O-N 3.43Å; T518-D521 PolarHBondContact OG1-OD2 2.89Å
519E89.8Confident89.9Confident105 Ų10542 Ų4249%0.49120%0.199SC..G310 helixtrans-60.7-35171.7-64.4-154.2-161.900113.7F393 G395 D521 K522F393-E519 HydrophobicContact CE2-CG 4.09Å; F393-E519 HydrophobicContact CZ-CG 3.98Å; G395-E519 PolarHBondContact O-N 3.12Å; E519-D521 PolarHBondContact O-N 3.5Å; E519-K522 VanDerWaalsContact O-CB 3.29Å; E519-K522 WeakPolarHBondContact O-CB 3.48Å; E519-K522 VanDerWaalsContact O-CD 3.27Å; E519-K522 WeakPolarHBondContact O-CD 3.35Å; E519-K522 WeakPolarHBondContact O-CG 3.36Å; E519-K522 PolarHBondContact O-N 2.97Å; E519-K522 IonicContact OE2-NZ 3.89Å; E519-K522 PolarHBondContact OE2-NZ 3.39Å
520D88.6Confident90.4Very high98 Ų9841 Ų4152%0.52419%0.194SC..G310 helixtrans-68.3-22.1180-58.3-44000112.5T518 K522 P523 L562T518-D520 VanDerWaalsContact C-N 3.26Å; T518-D520 PolarHBondContact O-N 3.36Å; T518-D520 PolarHBondContact OG1-N 2.66Å; D520-K522 VanDerWaalsContact C-N 3.35Å; D520-P523 WeakPolarHBondContact O-CD 3.19Å; D520-L562 HydrophobicContact CB-CD1 4.32Å; D520-L562 WeakPolarHBondContact O-CD1 3.49Å
521D90.8Very high90.5Very high0 Ų030.4 Ų30.40%015%0.154CC..G310 helixtrans-83-10.5-179.8-63.7-47.3000113F490 F517 T518 E519 P523 L524 L525 R564F490-D521 HydrophobicContact CB-CB 3.97Å; F490-D521 WeakPolarHBondContact CB-OD1 3.46Å; F490-D521 WeakPolarHBondContact CB-OD2 3.49Å; F490-D521 HydrophobicContact CD1-CB 4.17Å; F490-D521 HydrophobicContact CD2-CB 4.32Å; F490-D521 HydrophobicContact CG-CB 3.88Å; F517-D521 HydrophobicContact CB-CB 4.15Å; T518-D521 PolarHBondContact N-OD2 3.15Å; T518-D521 PolarHBondContact O-N 3.43Å; T518-D521 PolarHBondContact OG1-OD2 2.89Å; E519-D521 PolarHBondContact O-N 3.5Å; D521-P523 VanDerWaalsContact C-N 3.27Å; D521-P523 WeakPolarHBondContact O-CD 3.46Å; D521-P523 VanDerWaalsContact O-N 3.1Å; D521-L524 PolarHBondContact O-N 3.37Å; D521-L525 PolarHBondContact O-N 3.31Å; D521-L525 VanDerWaalsContact O-N 3.11Å; D521-R564 IonicContact OD1-CZ 3.7Å; D521-R564 IonicContact OD1-NH1 3.65Å; D521-R564 PolarHBondContact OD1-NH1 3.32Å; D521-R564 VanDerWaalsContact OD1-NH1 3.17Å; D521-R564 IonicContact OD1-NH2 2.76Å; D521-R564 PolarHBondContact OD1-NH2 3.05Å; D521-R564 IonicContact OD2-CZ 3.4Å; D521-R564 IonicContact OD2-NH1 3.68Å; D521-R564 PolarHBondContact OD2-NH1 3.04Å; D521-R564 IonicContact OD2-NH2 2.78Å
522K87Confident90.5Very high80 Ų8030 Ų3035%0.34815%0.151SC..Hα-helixtrans-43.2-43.9178.2-76.6169.1-177.1164.60113.7E519 D520 L524 L525 F546E519-K522 VanDerWaalsContact O-CB 3.29Å; E519-K522 WeakPolarHBondContact O-CB 3.48Å; E519-K522 VanDerWaalsContact O-CD 3.27Å; E519-K522 WeakPolarHBondContact O-CD 3.35Å; E519-K522 WeakPolarHBondContact O-CG 3.36Å; E519-K522 PolarHBondContact O-N 2.97Å; E519-K522 IonicContact OE2-NZ 3.89Å; E519-K522 PolarHBondContact OE2-NZ 3.39Å; D520-K522 VanDerWaalsContact C-N 3.35Å; K522-L524 VanDerWaalsContact C-N 3.32Å; K522-L524 PolarHBondContact O-N 3.32Å; K522-L525 WeakPolarHBondContact O-CB 3.46Å; K522-L525 PolarHBondContact O-N 2.87Å; K522-F546 HydrophobicContact CG-CZ 4.35Å
523P85.7Confident90.2Very high58 Ų5830.9 Ų30.938%0.37716%0.155SC..Hα-helixtrans-61.6-38.4-179.8-20.933.9000112.8D520 D521 L549 M557D520-P523 WeakPolarHBondContact O-CD 3.19Å; D521-P523 VanDerWaalsContact C-N 3.27Å; D521-P523 WeakPolarHBondContact O-CD 3.46Å; D521-P523 VanDerWaalsContact O-N 3.1Å; P523-L549 HydrophobicContact CB-CD1 3.17Å; P523-L549 HydrophobicContact CB-CG 4.39Å; P523-L549 WeakPolarHBondContact O-CD1 3.22Å; P523-M557 HydrophobicContact CB-CE 4.12Å; P523-M557 HydrophobicContact CB-SD 4Å; P523-M557 HydrophobicContact CG-CE 4.34Å
524L86.9Confident89.7Confident9 Ų936.2 Ų36.25%0.04718%0.18CC..Hα-helixtrans-84-21.7-176.5-60.7174.1000112.6F490 D521 K522 R526 S527 L549 M557F490-L524 HydrophobicContact CD1-CB 3.92Å; F490-L524 HydrophobicContact CD1-CD1 4.44Å; F490-L524 HydrophobicContact CE1-CB 3.7Å; D521-L524 PolarHBondContact O-N 3.37Å; K522-L524 VanDerWaalsContact C-N 3.32Å; K522-L524 PolarHBondContact O-N 3.32Å; L524-R526 PolarHBondContact O-N 2.85Å; L524-S527 PolarHBondContact O-N 2.88Å; L524-S527 VanDerWaalsContact O-N 3.12Å; L524-S527 PolarHBondContact O-OG 3.31Å; L524-L549 HydrophobicContact CD2-CD1 4.39Å; L524-M557 HydrophobicContact CD1-CE 3.97Å; L524-M557 HydrophobicContact CD2-CB 4.42Å; L524-M557 HydrophobicContact CD2-CE 4.06Å; L524-M557 HydrophobicContact CD2-SD 4.01Å; L524-M557 HydrophobicContact CG-CE 3.77Å; L524-M557 HydrophobicContact CG-SD 4.33Å
525L90Very high89.1Confident0 Ų036.8 Ų36.80%019%0.185CC..Hα-helixtrans-54.8-46.8-170.4-171.559.8000113.7L391 F490 F517 D521 K522 S527 V528 A529 I543 F546L391-L525 HydrophobicContact CD1-CD1 4.12Å; L391-L525 HydrophobicContact CD2-CD1 4.16Å; F490-L525 HydrophobicContact CE2-CD1 3.74Å; F490-L525 HydrophobicContact CZ-CB 4.43Å; F490-L525 HydrophobicContact CZ-CD1 3.71Å; F517-L525 HydrophobicContact CB-CD1 4.41Å; F517-L525 HydrophobicContact CD1-CD1 4.37Å; F517-L525 HydrophobicContact CD2-CD1 4.16Å; F517-L525 HydrophobicContact CD2-CD2 3.92Å; F517-L525 HydrophobicContact CE2-CD2 3.76Å; F517-L525 HydrophobicContact CG-CD1 4.08Å; F517-L525 HydrophobicContact CZ-CD2 4.36Å; D521-L525 PolarHBondContact O-N 3.31Å; D521-L525 VanDerWaalsContact O-N 3.11Å; K522-L525 WeakPolarHBondContact O-CB 3.46Å; K522-L525 PolarHBondContact O-N 2.87Å; L525-S527 PolarHBondContact O-N 3.11Å; L525-S527 VanDerWaalsContact O-N 3.15Å; L525-V528 PolarHBondContact O-N 3.11Å; L525-V528 VanDerWaalsContact O-N 3.13Å; L525-A529 VanDerWaalsContact O-CB 3.3Å; L525-A529 WeakPolarHBondContact O-CB 3.47Å; L525-A529 PolarHBondContact O-N 2.98Å; L525-I543 HydrophobicContact CD2-CD1 4Å; L525-I543 HydrophobicContact CD2-CG1 4Å; L525-I543 HydrophobicContact CD2-CG2 3.99Å; L525-I543 HydrophobicContact CG-CD1 4.36Å; L525-I543 HydrophobicContact CG-CG2 3.81Å; L525-F546 HydrophobicContact CD2-CD2 4.16Å; L525-F546 HydrophobicContact CD2-CE2 3.8Å
526R88.2Confident88.6Confident82 Ų8239.9 Ų39.931%0.30922%0.217SC..Hα-helixtrans-56.8-35-179.1-179.8164.7-179.5178.75112.9L524 N530 F546L524-R526 PolarHBondContact O-N 2.85Å; R526-N530 PolarHBondContact O-N 2.79Å; R526-N530 VanDerWaalsContact O-N 3.07Å; R526-N530 PolarHBondContact O-ND2 2.83Å; R526-N530 PolarHBondContact O-OD1 2.8Å; R526-F546 WeakPolarHBondContact CD-O 3.5Å; R526-F546 PolarHBondContact NH1-O 3.27Å
527S86.8Confident88.1Confident32 Ų3240.6 Ų40.622%0.22422%0.222CC..Hα-helixtrans-70.1-35.5-178.173.10000113L524 L525L524-S527 PolarHBondContact O-N 2.88Å; L524-S527 VanDerWaalsContact O-N 3.12Å; L524-S527 PolarHBondContact O-OG 3.31Å; L525-S527 PolarHBondContact O-N 3.11Å; L525-S527 VanDerWaalsContact O-N 3.15Å
528V89.8Confident87.8Confident0 Ų045.9 Ų45.90%026%0.257CS..Hα-helixtrans-79.1-43176.5172.70000110.3L391 F490 P491 Y497 L525 N530 V531 I532L391-V528 HydrophobicContact CD2-CG1 4.43Å; F490-V528 HydrophobicContact CE1-CB 4.29Å; F490-V528 HydrophobicContact CE1-CG2 3.67Å; F490-V528 HydrophobicContact CZ-CB 3.73Å; F490-V528 HydrophobicContact CZ-CG1 4.12Å; F490-V528 HydrophobicContact CZ-CG2 3.6Å; P491-V528 HydrophobicContact CG-CG2 3.83Å; Y497-V528 HydrophobicContact CD1-CG1 3.82Å; Y497-V528 HydrophobicContact CD2-CG1 3.76Å; Y497-V528 HydrophobicContact CE1-CG1 3.8Å; Y497-V528 HydrophobicContact CE2-CG1 3.74Å; Y497-V528 HydrophobicContact CG-CG1 3.78Å; Y497-V528 HydrophobicContact CG-CG2 4.22Å; L525-V528 PolarHBondContact O-N 3.11Å; L525-V528 VanDerWaalsContact O-N 3.13Å; V528-N530 VanDerWaalsContact C-N 3.26Å; V528-N530 PolarHBondContact O-N 2.99Å; V528-V531 WeakPolarHBondContact O-CA 3.3Å; V528-V531 WeakPolarHBondContact O-CB 3.44Å; V528-V531 PolarHBondContact O-N 3Å; V528-I532 HydrophobicContact CG1-CD1 3.97Å; V528-I532 HydrophobicContact CG1-CG1 4.41Å; V528-I532 WeakPolarHBondContact O-CG1 3.34Å; V528-I532 PolarHBondContact O-N 3.39Å
529A90.2Very high87.5Confident5 Ų546.5 Ų46.54%0.04126%0.261CS..Hα-helixtrans-55.7-40.3176.200000112.5L525 V531 I532 Q533 V539 I543L525-A529 VanDerWaalsContact O-CB 3.3Å; L525-A529 WeakPolarHBondContact O-CB 3.47Å; L525-A529 PolarHBondContact O-N 2.98Å; A529-V531 VanDerWaalsContact C-N 3.31Å; A529-V531 PolarHBondContact O-N 3.1Å; A529-I532 PolarHBondContact O-N 3.21Å; A529-Q533 WeakPolarHBondContact O-CB 3.43Å; A529-Q533 PolarHBondContact O-N 3.47Å; A529-V539 HydrophobicContact CB-CG1 3.88Å; A529-I543 HydrophobicContact CB-CG2 3.49Å; A529-I543 VanDerWaalsContact CB-CG2 3.49Å
530N87.2Confident87.3Confident83 Ų8344.2 Ų44.244%0.44426%0.255SS..Hα-helixtrans-61.1-37.6173.9-72.2-15.6000112.8R526 V528 Q534R526-N530 PolarHBondContact O-N 2.79Å; R526-N530 VanDerWaalsContact O-N 3.07Å; R526-N530 PolarHBondContact O-ND2 2.83Å; R526-N530 PolarHBondContact O-OD1 2.8Å; V528-N530 VanDerWaalsContact C-N 3.26Å; V528-N530 PolarHBondContact O-N 2.99Å; N530-Q534 WeakPolarHBondContact O-CB 3.23Å; N530-Q534 VanDerWaalsContact O-CG 3.23Å; N530-Q534 WeakPolarHBondContact O-CG 3.34Å; N530-Q534 PolarHBondContact O-N 3.05Å
531V86.8Confident87.1Confident5 Ų545.8 Ų45.83%0.0326%0.259CS..Hα-helixtrans-67.6-43.2177.2175.70000110.5A383 Y497 I498 V528 A529 Q534 A535A383-V531 HydrophobicContact CB-CG1 3.75Å; Y497-V531 HydrophobicContact CD1-CB 4.24Å; Y497-V531 HydrophobicContact CD1-CG1 3.98Å; Y497-V531 HydrophobicContact CE1-CB 4.34Å; Y497-V531 HydrophobicContact CE1-CG1 4.02Å; I498-V531 HydrophobicContact CD1-CG1 4.14Å; I498-V531 HydrophobicContact CD1-CG2 4.25Å; I498-V531 HydrophobicContact CG1-CG1 3.76Å; I498-V531 HydrophobicContact CG1-CG2 4.49Å; V528-V531 WeakPolarHBondContact O-CA 3.3Å; V528-V531 WeakPolarHBondContact O-CB 3.44Å; V528-V531 PolarHBondContact O-N 3Å; A529-V531 VanDerWaalsContact C-N 3.31Å; A529-V531 PolarHBondContact O-N 3.1Å; V531-Q534 PolarHBondContact O-N 3.46Å; V531-A535 PolarHBondContact O-N 3.35Å; V531-A535 VanDerWaalsContact O-N 3.08Å
532I89.4Confident86.8Confident1 Ų151.8 Ų51.81%0.00528%0.283CS..Hα-helixtrans-61.3-46.4177.6-64.7175.2000110.4Q389 L391 Y497 V528 A529 Q534 A535 G536 C537 V539Q389-I532 HydrophobicContact CB-CD1 4.48Å; Q389-I532 HydrophobicContact CB-CG1 4.08Å; Q389-I532 HydrophobicContact CB-CG2 4.06Å; L391-I532 HydrophobicContact CD1-CD1 3.81Å; L391-I532 HydrophobicContact CD2-CD1 3.74Å; L391-I532 HydrophobicContact CG-CD1 3.52Å; Y497-I532 HydrophobicContact CE1-CD1 4.47Å; Y497-I532 HydrophobicContact CE1-CG1 3.9Å; Y497-I532 WeakPolarHBondContact OH-CD1 3.18Å; Y497-I532 VanDerWaalsContact OH-CG1 3.29Å; Y497-I532 WeakPolarHBondContact OH-CG1 3.43Å; V528-I532 HydrophobicContact CG1-CD1 3.97Å; V528-I532 HydrophobicContact CG1-CG1 4.41Å; V528-I532 WeakPolarHBondContact O-CG1 3.34Å; V528-I532 PolarHBondContact O-N 3.39Å; A529-I532 PolarHBondContact O-N 3.21Å; I532-Q534 VanDerWaalsContact C-N 3.34Å; I532-Q534 PolarHBondContact O-N 3.24Å; I532-A535 PolarHBondContact O-N 3.49Å; I532-G536 PolarHBondContact O-N 3.48Å; I532-C537 HydrophobicContact CG2-CB 3.5Å; I532-C537 VanDerWaalsContact CG2-CB 3.5Å; I532-C537 PolarHBondContact O-N 3.17Å; I532-C537 VanDerWaalsContact O-N 3.14Å; I532-V539 HydrophobicContact CB-CG2 3.88Å; I532-V539 HydrophobicContact CG2-CG2 3.56Å
533Q87.2Confident86.7Confident81 Ų8148 Ų4838%0.37927%0.267SS..Hα-helixtrans-62.6-40.1178-174.767.477.600112.2A529 A535 G536 V539A529-Q533 WeakPolarHBondContact O-CB 3.43Å; A529-Q533 PolarHBondContact O-N 3.47Å; Q533-A535 VanDerWaalsContact C-N 3.27Å; Q533-A535 PolarHBondContact O-N 2.88Å; Q533-G536 PolarHBondContact O-N 2.75Å; Q533-G536 VanDerWaalsContact O-N 3.09Å; Q533-V539 HydrophobicContact CB-CG2 4.12Å
534Q83.4Confident86.3Confident112 Ų11249.4 Ų49.452%0.52327%0.267SS..Hα-helixtrans-66.4-28.8176.6-77.8175.3-4.500112.9N530 V531 I532 G536N530-Q534 WeakPolarHBondContact O-CB 3.23Å; N530-Q534 VanDerWaalsContact O-CG 3.23Å; N530-Q534 WeakPolarHBondContact O-CG 3.34Å; N530-Q534 PolarHBondContact O-N 3.05Å; V531-Q534 PolarHBondContact O-N 3.46Å; I532-Q534 VanDerWaalsContact C-N 3.34Å; I532-Q534 PolarHBondContact O-N 3.24Å; Q534-G536 PolarHBondContact O-N 3.38Å
535A82.8Confident85.9Confident15 Ų1552.2 Ų52.212%0.12430%0.298CS..THydrogen-bonded Turntrans-77.8-2.8173.300000113.4A383 Q389 V531 I532 Q533A383-A535 HydrophobicContact CB-CB 4.22Å; Q389-A535 VanDerWaalsContact NE2-CB 3.26Å; V531-A535 PolarHBondContact O-N 3.35Å; V531-A535 VanDerWaalsContact O-N 3.08Å; I532-A535 PolarHBondContact O-N 3.49Å; Q533-A535 VanDerWaalsContact C-N 3.27Å; Q533-A535 PolarHBondContact O-N 2.88Å
536G84.9Confident85.4Confident65 Ų6555 Ų5567%0.6731%0.31SS*.THydrogen-bonded Turntrans84.39.1-179.100000114.7I532 Q533 Q534I532-G536 PolarHBondContact O-N 3.48Å; Q533-G536 PolarHBondContact O-N 2.75Å; Q533-G536 VanDerWaalsContact O-N 3.09Å; Q534-G536 PolarHBondContact O-N 3.38Å
537C87Confident84.8Confident16 Ų1659.5 Ų59.511%0.10834%0.335CS..  trans-84.9148.2177.3-64.30000111.4Q389 I532Q389-C537 HydrophobicContact CB-CB 4.26Å; I532-C537 HydrophobicContact CG2-CB 3.5Å; I532-C537 VanDerWaalsContact CG2-CB 3.5Å; I532-C537 PolarHBondContact O-N 3.17Å; I532-C537 VanDerWaalsContact O-N 3.14Å
538P87.4Confident84.3Confident116 Ų11666 Ų6675%0.75336%0.359SS*.  trans-67.2137.218028-34.2000111.3
539V87.7Confident83.6Confident14 Ų1467.3 Ų67.39%0.08537%0.366CS..  trans-126.6128.5174.61770000108.2A529 I532 Q533 E541 I543A529-V539 HydrophobicContact CB-CG1 3.88Å; I532-V539 HydrophobicContact CB-CG2 3.88Å; I532-V539 HydrophobicContact CG2-CG2 3.56Å; Q533-V539 HydrophobicContact CB-CG2 4.12Å; V539-E541 PolarHBondContact O-N 3.48Å; V539-I543 HydrophobicContact CG1-CB 4.11Å; V539-I543 HydrophobicContact CG1-CD1 4.16Å; V539-I543 HydrophobicContact CG1-CG2 4.3Å
540P85.4Confident82.9Confident56 Ų5672.7 Ų72.736%0.36439%0.393SS..  trans-53.7133.1175.9-27.333.2000113.1Y542 I543P540-Y542 VanDerWaalsContact C-N 3.26Å; P540-Y542 HydrophobicContact CB-CD1 3.59Å; P540-Y542 HydrophobicContact CB-CE1 3.27Å; P540-Y542 HydrophobicContact CG-CE1 4.09Å; P540-Y542 PolarHBondContact O-N 2.89Å; P540-I543 HydrophobicContact CB-CD1 4.15Å; P540-I543 HydrophobicContact CB-CG1 4.28Å; P540-I543 HydrophobicContact CG-CD1 4.09Å; P540-I543 WeakPolarHBondContact O-CB 3.45Å; P540-I543 PolarHBondContact O-N 3.4Å
541E84.4Confident82.2Confident132 Ų13273.1 Ų73.162%0.61740%0.402SS*.Hα-helixtrans-60.5-34.4-170.1-154.363.5-155.800113V539 I543 K544V539-E541 PolarHBondContact O-N 3.48Å; E541-I543 PolarHBondContact O-N 2.88Å; E541-I543 VanDerWaalsContact O-N 3.12Å; E541-K544 WeakPolarHBondContact O-CB 3.45Å; E541-K544 PolarHBondContact O-N 3.24Å; E541-K544 WeakPolarHBondContact OE1-CD 3.37Å; E541-K544 IonicContact OE1-NZ 3.28Å; E541-K544 PolarHBondContact OE1-NZ 3.12Å; E541-K544 WeakPolarHBondContact OE2-CE 3.47Å; E541-K544 IonicContact OE2-NZ 2.83Å; E541-K544 PolarHBondContact OE2-NZ 2.98Å
542Y84.8Confident81.6Confident126 Ų12681.6 Ų81.649%0.49444%0.439SS..Hα-helixtrans-59.2-27.3178.874-96.6000112.9F517 P540 K544 G545 F546F517-Y542 WeakPolarHBondContact CZ-OH 3.07Å; P540-Y542 VanDerWaalsContact C-N 3.26Å; P540-Y542 HydrophobicContact CB-CD1 3.59Å; P540-Y542 HydrophobicContact CB-CE1 3.27Å; P540-Y542 HydrophobicContact CG-CE1 4.09Å; P540-Y542 PolarHBondContact O-N 2.89Å; Y542-K544 VanDerWaalsContact C-N 3.27Å; Y542-K544 PolarHBondContact O-N 3.45Å; Y542-G545 PolarHBondContact O-N 3.32Å; Y542-F546 AromaticContact CD2-CE2 3.93Å; Y542-F546 HydrophobicContact CD2-CE2 3.93Å; Y542-F546 AromaticContact CD2-CZ 3.99Å; Y542-F546 HydrophobicContact CD2-CZ 3.99Å; Y542-F546 AromaticContact CE2-CE2 3.99Å; Y542-F546 HydrophobicContact CE2-CE2 3.99Å; Y542-F546 HydrophobicContact CE2-CZ 4.18Å
543I85Confident81Confident1 Ų186.5 Ų86.51%0.00546%0.462CS..Hα-helixtrans-68.6-30.1179.9-60.5179.2000111.3L391 L525 A529 V539 P540 E541 G545 F546L391-I543 HydrophobicContact CD1-CD1 3.8Å; L525-I543 HydrophobicContact CD2-CD1 4Å; L525-I543 HydrophobicContact CD2-CG1 4Å; L525-I543 HydrophobicContact CD2-CG2 3.99Å; L525-I543 HydrophobicContact CG-CD1 4.36Å; L525-I543 HydrophobicContact CG-CG2 3.81Å; A529-I543 HydrophobicContact CB-CG2 3.49Å; A529-I543 VanDerWaalsContact CB-CG2 3.49Å; V539-I543 HydrophobicContact CG1-CB 4.11Å; V539-I543 HydrophobicContact CG1-CD1 4.16Å; V539-I543 HydrophobicContact CG1-CG2 4.3Å; P540-I543 HydrophobicContact CB-CD1 4.15Å; P540-I543 HydrophobicContact CB-CG1 4.28Å; P540-I543 HydrophobicContact CG-CD1 4.09Å; P540-I543 WeakPolarHBondContact O-CB 3.45Å; P540-I543 PolarHBondContact O-N 3.4Å; E541-I543 PolarHBondContact O-N 2.88Å; E541-I543 VanDerWaalsContact O-N 3.12Å; I543-G545 PolarHBondContact O-N 3.22Å; I543-F546 HydrophobicContact CB-CD2 4.3Å; I543-F546 HydrophobicContact CB-CE2 4.37Å; I543-F546 HydrophobicContact CG1-CE2 4.23Å; I543-F546 HydrophobicContact CG2-CD2 4.11Å; I543-F546 WeakPolarHBondContact O-CD2 3.15Å; I543-F546 PolarHBondContact O-N 3Å
544K77.4Confident80.3Confident86 Ų8686.2 Ų86.237%0.37446%0.459SS..Hα-helixtrans-67.6-27179.3-63.8170.7-179.91710112E541 Y542 F546E541-K544 WeakPolarHBondContact O-CB 3.45Å; E541-K544 PolarHBondContact O-N 3.24Å; E541-K544 WeakPolarHBondContact OE1-CD 3.37Å; E541-K544 IonicContact OE1-NZ 3.28Å; E541-K544 PolarHBondContact OE1-NZ 3.12Å; E541-K544 WeakPolarHBondContact OE2-CE 3.47Å; E541-K544 IonicContact OE2-NZ 2.83Å; E541-K544 PolarHBondContact OE2-NZ 2.98Å; Y542-K544 VanDerWaalsContact C-N 3.27Å; Y542-K544 PolarHBondContact O-N 3.45Å; K544-F546 VanDerWaalsContact C-N 3.32Å; K544-F546 PolarHBondContact O-N 2.76Å
545G78Confident79.8Confident68 Ų6886.6 Ų86.670%0.70146%0.459SS*.THydrogen-bonded Turntrans-73-17.6176.900000114.5Y542 I543 Q547Y542-G545 PolarHBondContact O-N 3.32Å; I543-G545 PolarHBondContact O-N 3.22Å; G545-Q547 PolarHBondContact O-N 3.11Å
546F80.5Confident79.4Confident59 Ų5993.4 Ų93.426%0.25949%0.486SS..SBendtrans-63.6139.6179.8-69.6-50.2000111.8K522 L525 R526 Y542 I543 K544K522-F546 HydrophobicContact CG-CZ 4.35Å; L525-F546 HydrophobicContact CD2-CD2 4.16Å; L525-F546 HydrophobicContact CD2-CE2 3.8Å; R526-F546 WeakPolarHBondContact CD-O 3.5Å; R526-F546 PolarHBondContact NH1-O 3.27Å; Y542-F546 AromaticContact CD2-CE2 3.93Å; Y542-F546 HydrophobicContact CD2-CE2 3.93Å; Y542-F546 AromaticContact CD2-CZ 3.99Å; Y542-F546 HydrophobicContact CD2-CZ 3.99Å; Y542-F546 AromaticContact CE2-CE2 3.99Å; Y542-F546 HydrophobicContact CE2-CE2 3.99Å; Y542-F546 HydrophobicContact CE2-CZ 4.18Å; I543-F546 HydrophobicContact CB-CD2 4.3Å; I543-F546 HydrophobicContact CB-CE2 4.37Å; I543-F546 HydrophobicContact CG1-CE2 4.23Å; I543-F546 HydrophobicContact CG2-CD2 4.11Å; I543-F546 WeakPolarHBondContact O-CD2 3.15Å; I543-F546 PolarHBondContact O-N 3Å; K544-F546 VanDerWaalsContact C-N 3.32Å; K544-F546 PolarHBondContact O-N 2.76Å
547Q75.7Confident78.8Confident177 Ų17791.9 Ų91.983%0.82746%0.462SS*.PPolyproline II helixtrans-64.6143.6-179.7-69.4-175.3-7.400111.5G545 L549G545-Q547 PolarHBondContact O-N 3.11Å; Q547-L549 PolarHBondContact O-N 3.46Å
548K74.7Confident78Confident169 Ų16993.2 Ų93.274%0.73547%0.467SS*.PPolyproline II helixtrans-68.6125.4173.4-176.7-179.9178.4-178.30108.3L550K548-L550 PolarHBondContact O-N 3.07Å
549L75.5Confident77.2Confident27 Ų2794.6 Ų94.614%0.14146%0.462CS..PPolyproline II helixtrans-61128.2178.6-145.3142.2000110.8P523 L524 Q547 Q553 K554 M557P523-L549 HydrophobicContact CB-CD1 3.17Å; P523-L549 HydrophobicContact CB-CG 4.39Å; P523-L549 WeakPolarHBondContact O-CD1 3.22Å; L524-L549 HydrophobicContact CD2-CD1 4.39Å; Q547-L549 PolarHBondContact O-N 3.46Å; L549-Q553 HydrophobicContact CD2-CB 3.36Å; L549-Q553 HydrophobicContact CG-CB 4.24Å; L549-K554 HydrophobicContact CD2-CB 3.65Å; L549-M557 HydrophobicContact CD1-SD 3.8Å; L549-M557 HydrophobicContact CD2-SD 4.32Å
550L76.7Confident76.6Confident117 Ų117100.2 Ų100.261%0.61349%0.485SS*.PPolyproline II helixtrans-63.6142.9179.9-66.7171.7000109.9K548 K552 Q553 K554K548-L550 PolarHBondContact O-N 3.07Å; L550-K552 PolarHBondContact O-N 3.35Å; L550-Q553 HydrophobicContact CB-CG 4.42Å; L550-Q553 PolarHBondContact O-N 3.3Å; L550-K554 PolarHBondContact O-N 2.93Å
551S72.2Confident76.2Confident92 Ų92100 Ų10064%0.64348%0.483SS*.Hα-helixtrans-53.5-33.8-176.2-59.50000113.7K555S551-K555 WeakPolarHBondContact O-CG 3.4Å; S551-K555 PolarHBondContact O-N 3.29Å; S551-K555 VanDerWaalsContact O-N 3.16Å
552K73.3Confident76Confident184 Ų18496.2 Ų96.280%0.847%0.467SS*.Hα-helixtrans-66.9-46.5175.4-70.2-175.7179.6178.70112.3L550 K554 K555 K556L550-K552 PolarHBondContact O-N 3.35Å; K552-K554 VanDerWaalsContact C-N 3.32Å; K552-K554 PolarHBondContact O-N 3.2Å; K552-K555 PolarHBondContact O-N 2.93Å; K552-K556 PolarHBondContact O-N 3Å; K552-K556 VanDerWaalsContact O-N 3.1Å
553Q76.3Confident75.9Confident103 Ų10397.7 Ų97.748%0.48148%0.479SS..Hα-helixtrans-64.4-39.5177.3-68.6170-37.300110.6L549 L550 K555 K556 M557L549-Q553 HydrophobicContact CD2-CB 3.36Å; L549-Q553 HydrophobicContact CG-CB 4.24Å; L550-Q553 HydrophobicContact CB-CG 4.42Å; L550-Q553 PolarHBondContact O-N 3.3Å; Q553-K555 PolarHBondContact O-N 3.5Å; Q553-K556 WeakPolarHBondContact O-CB 3.26Å; Q553-K556 PolarHBondContact O-N 2.87Å; Q553-K556 VanDerWaalsContact O-N 3.1Å; Q553-M557 WeakPolarHBondContact O-CG 3.39Å; Q553-M557 PolarHBondContact O-N 3.32Å
554K74Confident76Confident76 Ų7699.6 Ų99.633%0.3349%0.486SS..Hα-helixtrans-61.9-46.1179.7-171.7179.5178.6-178.10110.9L549 L550 K552 K556 M557 I558L549-K554 HydrophobicContact CD2-CB 3.65Å; L550-K554 PolarHBondContact O-N 2.93Å; K552-K554 VanDerWaalsContact C-N 3.32Å; K552-K554 PolarHBondContact O-N 3.2Å; K554-K556 VanDerWaalsContact C-N 3.3Å; K554-K556 PolarHBondContact O-N 3.42Å; K554-M557 PolarHBondContact O-N 3.49Å; K554-I558 HydrophobicContact CG-CD1 4.02Å; K554-I558 VanDerWaalsContact O-CG1 3.28Å; K554-I558 WeakPolarHBondContact O-CG1 2.98Å; K554-I558 PolarHBondContact O-N 2.95Å
555K71.9Confident76.5Confident119 Ų119101.5 Ų101.552%0.51750%0.496SS..Hα-helixtrans-62.3-36.8175.3-72.7178.9179.3-175.20112.1S551 K552 Q553 K559S551-K555 WeakPolarHBondContact O-CG 3.4Å; S551-K555 PolarHBondContact O-N 3.29Å; S551-K555 VanDerWaalsContact O-N 3.16Å; K552-K555 PolarHBondContact O-N 2.93Å; Q553-K555 PolarHBondContact O-N 3.5Å; K555-K559 WeakPolarHBondContact O-CB 3.42Å; K555-K559 WeakPolarHBondContact O-CG 3.32Å; K555-K559 PolarHBondContact O-N 3.39Å; K555-K559 VanDerWaalsContact O-N 3.12Å
556K75.4Confident76.8Confident158 Ų158101.4 Ų101.469%0.68749%0.485SS*.Hα-helixtrans-65.1-44.9176-169179.1179.2-177.10111.6K552 Q553 K554 K559 K560K552-K556 PolarHBondContact O-N 3Å; K552-K556 VanDerWaalsContact O-N 3.1Å; Q553-K556 WeakPolarHBondContact O-CB 3.26Å; Q553-K556 PolarHBondContact O-N 2.87Å; Q553-K556 VanDerWaalsContact O-N 3.1Å; K554-K556 VanDerWaalsContact C-N 3.3Å; K554-K556 PolarHBondContact O-N 3.42Å; K556-K559 PolarHBondContact O-N 2.95Å; K556-K560 PolarHBondContact O-N 3.19Å
557M72.2Confident77Confident33 Ų3399.1 Ų99.116%0.16348%0.475CS..Hα-helixtrans-70.1-31.9179.5-66.6-176.580.400113.5P523 L524 L549 Q553 K554 K560 P561 L562P523-M557 HydrophobicContact CB-CE 4.12Å; P523-M557 HydrophobicContact CB-SD 4Å; P523-M557 HydrophobicContact CG-CE 4.34Å; L524-M557 HydrophobicContact CD1-CE 3.97Å; L524-M557 HydrophobicContact CD2-CB 4.42Å; L524-M557 HydrophobicContact CD2-CE 4.06Å; L524-M557 HydrophobicContact CD2-SD 4.01Å; L524-M557 HydrophobicContact CG-CE 3.77Å; L524-M557 HydrophobicContact CG-SD 4.33Å; L549-M557 HydrophobicContact CD1-SD 3.8Å; L549-M557 HydrophobicContact CD2-SD 4.32Å; Q553-M557 WeakPolarHBondContact O-CG 3.39Å; Q553-M557 PolarHBondContact O-N 3.32Å; K554-M557 PolarHBondContact O-N 3.49Å; M557-K560 CarbonylContact O-C 3.56Å; M557-K560 VanDerWaalsContact O-C 3.3Å; M557-P561 WeakPolarHBondContact O-CA 3.26Å; M557-L562 HydrophobicContact CE-CD1 4Å; M557-L562 HydrophobicContact CE-CD2 3.98Å; M557-L562 HydrophobicContact CE-CG 3.98Å
558I70.6Confident77.3Confident44 Ų4492.8 Ų92.823%0.22645%0.45CS..Hα-helixtrans-66.9-42.5172.5-67.4165.4000110.3K554K554-I558 HydrophobicContact CG-CD1 4.02Å; K554-I558 VanDerWaalsContact O-CG1 3.28Å; K554-I558 WeakPolarHBondContact O-CG1 2.98Å; K554-I558 PolarHBondContact O-N 2.95Å
559K70.5Confident77.5Confident146 Ų14688.5 Ų88.564%0.63544%0.439SS*.Hα-helixtrans-73.7-40-179.5-75.7-172.5173.9-162.10113.8K555 K556K555-K559 WeakPolarHBondContact O-CB 3.42Å; K555-K559 WeakPolarHBondContact O-CG 3.32Å; K555-K559 PolarHBondContact O-N 3.39Å; K555-K559 VanDerWaalsContact O-N 3.12Å; K556-K559 PolarHBondContact O-N 2.95Å
560K75.3Confident77.5Confident131 Ų13190.1 Ų90.157%0.5745%0.45SS*.SBendtrans-121.488.9174.8-167.3-179.5-178.2-168.40107.8K556 M557 E563K556-K560 PolarHBondContact O-N 3.19Å; M557-K560 CarbonylContact O-C 3.56Å; M557-K560 VanDerWaalsContact O-C 3.3Å; K560-E563 WeakPolarHBondContact CE-OE1 3.5Å; K560-E563 IonicContact NZ-OE1 2.9Å; K560-E563 PolarHBondContact NZ-OE1 3.46Å
561P75.8Confident77.3Confident51 Ų5188 Ų8833%0.33144%0.443SS..PPolyproline II helixtrans-53.3153.8173-27.837.1000111.5T492 M557 E563T492-P561 HydrophobicContact CG2-CB 4.37Å; T492-P561 HydrophobicContact CG2-CG 4.45Å; M557-P561 WeakPolarHBondContact O-CA 3.26Å; P561-E563 PolarHBondContact O-N 3.02Å
562L80.7Confident77.3Confident53 Ų5391.4 Ų91.428%0.27745%0.446SS..PPolyproline II helixtrans-55.2132176.7-68.7166.6000110.2Q421 D520 M557 R564Q421-L562 PolarHBondContact NE2-O 3.46Å; D520-L562 HydrophobicContact CB-CD1 4.32Å; D520-L562 WeakPolarHBondContact O-CD1 3.49Å; M557-L562 HydrophobicContact CE-CD1 4Å; M557-L562 HydrophobicContact CE-CD2 3.98Å; M557-L562 HydrophobicContact CE-CG 3.98Å; L562-R564 PolarHBondContact O-N 3.46Å
563E82.9Confident77.4Confident158 Ų15889.7 Ų89.774%0.73844%0.436SS*.PPolyproline II helixtrans-74.4120172-70175.1-157.700107.6K560 P561K560-E563 WeakPolarHBondContact CE-OE1 3.5Å; K560-E563 IonicContact NZ-OE1 2.9Å; K560-E563 PolarHBondContact NZ-OE1 3.46Å; P561-E563 PolarHBondContact O-N 3.02Å
564R87.6Confident77.5Confident40 Ų4090.4 Ų90.415%0.15144%0.437CS..  trans-109147.8-175.8-62.8-170.2-174.1-92.71.5111E397 D489 D521 L562E397-R564 IonicContact OE1-CZ 2.69Å; E397-R564 IonicContact OE1-NH1 2.61Å; E397-R564 PolarHBondContact OE1-NH1 2.91Å; D489-R564 WeakPolarHBondContact OD1-CD 3.2Å; D489-R564 IonicContact OD1-NE 3.17Å; D521-R564 IonicContact OD1-CZ 3.7Å; D521-R564 IonicContact OD1-NH1 3.65Å; D521-R564 PolarHBondContact OD1-NH1 3.32Å; D521-R564 VanDerWaalsContact OD1-NH1 3.17Å; D521-R564 IonicContact OD1-NH2 2.76Å; D521-R564 PolarHBondContact OD1-NH2 3.05Å; D521-R564 IonicContact OD2-CZ 3.4Å; D521-R564 IonicContact OD2-NH1 3.68Å; D521-R564 PolarHBondContact OD2-NH1 3.04Å; D521-R564 IonicContact OD2-NH2 2.78Å; L562-R564 PolarHBondContact O-N 3.46Å
565E86.1Confident77.5Confident127 Ų12790.1 Ų90.159%0.59344%0.439SS*.  trans-64.3151.4175.3-59.9-173.1153.700112.2E397 R425E397-E565 HydrophobicContact CB-CB 4.15Å; E397-E565 HydrophobicContact CG-CB 4.32Å; R425-E565 PolarHBondContact NH1-O 3.16Å
566S85.7Confident77.8Confident66 Ų6689.6 Ų89.646%0.46244%0.438SS..  trans-64.8139.3-179.9177.30000112E428 S568E428-S566 PolarHBondContact OE1-OG 3.17Å; E428-S566 PolarHBondContact OE2-OG 3.04Å; S566-S568 VanDerWaalsContact C-N 3.26Å; S566-S568 PolarHBondContact O-N 3.4Å; S566-S568 VanDerWaalsContact O-N 3.08Å
567I85.1Confident77.8Confident10 Ų1084.8 Ų84.85%0.05142%0.419CS..  trans-85.568176.4-47.4168.6000108.5L401 R425 E428 L429 E432 Y488L401-I567 HydrophobicContact CD1-CG2 4.32Å; L401-I567 HydrophobicContact CD2-CG2 4.42Å; R425-I567 HydrophobicContact CB-CD1 3.88Å; R425-I567 HydrophobicContact CG-CD1 4.26Å; E428-I567 HydrophobicContact CB-CB 3.91Å; E428-I567 WeakPolarHBondContact CB-O 2.91Å; E428-I567 PolarHBondContact OE2-N 3.22Å; L429-I567 HydrophobicContact CB-CD1 4.06Å; L429-I567 HydrophobicContact CD1-CG2 4.36Å; E432-I567 HydrophobicContact CG-CG2 4.43Å; Y488-I567 HydrophobicContact CD1-CD1 4.16Å; Y488-I567 HydrophobicContact CE1-CD1 3.4Å; Y488-I567 VanDerWaalsContact CE1-CD1 3.4Å; Y488-I567 HydrophobicContact CE1-CG1 4.1Å; Y488-I567 WeakPolarHBondContact OH-CG2 3.29Å
568S80.1Confident78Confident45 Ų4585.6 Ų85.632%0.31543%0.43SS..  trans-134.2128.7176.1-166.10000111.7S566 T570S566-S568 VanDerWaalsContact C-N 3.26Å; S566-S568 PolarHBondContact O-N 3.4Å; S566-S568 VanDerWaalsContact O-N 3.08Å; S568-T570 VanDerWaalsContact C-N 3.28Å; S568-T570 WeakPolarHBondContact OG-CB 3.38Å; S568-T570 PolarHBondContact OG-N 3.48Å
569T79.2Confident78.4Confident79 Ų7990.6 Ų90.649%0.48545%0.451SS..  trans-80.7-13.5167.956.30000112.2L401 E432 P571L401-T569 HydrophobicContact CD2-CG2 3.7Å; E432-T569 VanDerWaalsContact CD-OG1 3.3Å; E432-T569 PolarHBondContact OE1-N 3.02Å; E432-T569 PolarHBondContact OE1-OG1 3.45Å; E432-T569 VanDerWaalsContact OE2-CG2 3.22Å; E432-T569 WeakPolarHBondContact OE2-CG2 3.37Å; E432-T569 PolarHBondContact OE2-OG1 3.29Å; T569-P571 WeakPolarHBondContact O-CD 3.46Å
570T75.9Confident78.7Confident61 Ų6190 Ų9037%0.37445%0.45SS..SBendtrans-74.6122.6177.3-56.60000109.4S568 K572 F574 L575S568-T570 VanDerWaalsContact C-N 3.28Å; S568-T570 WeakPolarHBondContact OG-CB 3.38Å; S568-T570 PolarHBondContact OG-N 3.48Å; T570-K572 PolarHBondContact O-N 3.26Å; T570-F574 HydrophobicContact CG2-CB 3.91Å; T570-L575 HydrophobicContact CG2-CD2 4.16Å; T570-L575 HydrophobicContact CG2-CG 4Å
571P72Confident78.7Confident73 Ų7390.8 Ų90.847%0.47445%0.453SS..  trans-55.3136.5177.6-24.731.6000111.7T569 Y573 F574 L575T569-P571 WeakPolarHBondContact O-CD 3.46Å; P571-Y573 PolarHBondContact O-N 2.97Å; P571-F574 HydrophobicContact CB-CD2 3.85Å; P571-F574 HydrophobicContact CB-CE2 4.32Å; P571-F574 HydrophobicContact CG-CD2 3.84Å; P571-F574 HydrophobicContact CG-CE2 4.05Å; P571-F574 PolarHBondContact O-N 3.48Å; P571-L575 PolarHBondContact O-N 3.12Å
572K72.5Confident78.8Confident163 Ų16395.8 Ų95.871%0.70947%0.47SS*.Hα-helixtrans-49-38-178-72.9-176.4179.1175.40112.9T570 F574 L575 E576T570-K572 PolarHBondContact O-N 3.26Å; K572-F574 VanDerWaalsContact C-N 3.32Å; K572-F574 PolarHBondContact O-N 2.94Å; K572-L575 WeakPolarHBondContact O-CB 3.48Å; K572-L575 PolarHBondContact O-N 3.38Å; K572-L575 VanDerWaalsContact O-N 3.11Å; K572-E576 WeakPolarHBondContact O-CG 3.36Å; K572-E576 PolarHBondContact O-N 2.75Å
573Y76.4Confident78.6Confident148 Ų14897 Ų9758%0.5848%0.48SS*.Hα-helixtrans-51.9-44.7175.7178.1-110.7000113.6P571 E576 Q577P571-Y573 PolarHBondContact O-N 2.97Å; Y573-E576 PolarHBondContact O-N 2.93Å; Y573-Q577 PolarHBondContact O-N 3.04Å; Y573-Q577 PolarHBondContact OH-NE2 3.47Å
574F77.2Confident78.2Confident118 Ų11892 Ų9252%0.51846%0.464SS..Hα-helixtrans-72-36.2178.9-69.2-68.9000112.2T570 P571 K572 E576 Q577 A578T570-F574 HydrophobicContact CG2-CB 3.91Å; P571-F574 HydrophobicContact CB-CD2 3.85Å; P571-F574 HydrophobicContact CB-CE2 4.32Å; P571-F574 HydrophobicContact CG-CD2 3.84Å; P571-F574 HydrophobicContact CG-CE2 4.05Å; P571-F574 PolarHBondContact O-N 3.48Å; K572-F574 VanDerWaalsContact C-N 3.32Å; K572-F574 PolarHBondContact O-N 2.94Å; F574-E576 VanDerWaalsContact C-N 3.34Å; F574-Q577 PolarHBondContact O-N 3.39Å; F574-A578 WeakPolarHBondContact O-CB 3.36Å; F574-A578 PolarHBondContact O-N 3.37Å
575L75.3Confident77.5Confident70 Ų7091.7 Ų91.737%0.36647%0.474SS..Hα-helixtrans-64.9-39.8174.9-67.3172.2000111.4T570 P571 K572 A578 K579T570-L575 HydrophobicContact CG2-CD2 4.16Å; T570-L575 HydrophobicContact CG2-CG 4Å; P571-L575 PolarHBondContact O-N 3.12Å; K572-L575 WeakPolarHBondContact O-CB 3.48Å; K572-L575 PolarHBondContact O-N 3.38Å; K572-L575 VanDerWaalsContact O-N 3.11Å; L575-A578 PolarHBondContact O-N 3.48Å; L575-K579 WeakPolarHBondContact O-CG 3.37Å; L575-K579 PolarHBondContact O-N 2.94Å
576E76.6Confident76.9Confident107 Ų10792 Ų9250%0.548%0.476SS..Hα-helixtrans-66.7-45.9176.1-74.8175.2-173.200111.9K572 Y573 F574 A578 K579 Q580K572-E576 WeakPolarHBondContact O-CG 3.36Å; K572-E576 PolarHBondContact O-N 2.75Å; Y573-E576 PolarHBondContact O-N 2.93Å; F574-E576 VanDerWaalsContact C-N 3.34Å; E576-A578 VanDerWaalsContact C-N 3.31Å; E576-A578 PolarHBondContact O-N 2.95Å; E576-K579 WeakPolarHBondContact O-CB 3.35Å; E576-K579 PolarHBondContact O-N 3.44Å; E576-Q580 WeakPolarHBondContact O-CG 3.47Å; E576-Q580 PolarHBondContact O-N 3.36Å
577Q75.7Confident76.3Confident58 Ų5893 Ų9327%0.27148%0.476SS..Hα-helixtrans-58.1-43172.4-82.5-16443.100112.4Y573 F574 K579 Q580 K581Y573-Q577 PolarHBondContact O-N 3.04Å; Y573-Q577 PolarHBondContact OH-NE2 3.47Å; F574-Q577 PolarHBondContact O-N 3.39Å; Q577-K579 VanDerWaalsContact C-N 3.34Å; Q577-K579 PolarHBondContact O-N 2.87Å; Q577-Q580 PolarHBondContact O-N 2.92Å; Q577-K581 WeakPolarHBondContact O-CG 3.45Å; Q577-K581 PolarHBondContact O-N 2.94Å
578A77.2Confident75.7Confident50 Ų5095.6 Ų95.641%0.41350%0.495SS..Hα-helixtrans-64.8-38.617800000112F574 L575 E576 K582F574-A578 WeakPolarHBondContact O-CB 3.36Å; F574-A578 PolarHBondContact O-N 3.37Å; L575-A578 PolarHBondContact O-N 3.48Å; E576-A578 VanDerWaalsContact C-N 3.31Å; E576-A578 PolarHBondContact O-N 2.95Å; A578-K582 PolarHBondContact O-N 3.2Å
579K78.6Confident75.2Confident149 Ų149100.6 Ų100.665%0.64851%0.511SS*.Hα-helixtrans-63.1-47.2172.6-77.3177-178.9177.90111.2L575 E576 Q577 K581 K582 V583L575-K579 WeakPolarHBondContact O-CG 3.37Å; L575-K579 PolarHBondContact O-N 2.94Å; E576-K579 WeakPolarHBondContact O-CB 3.35Å; E576-K579 PolarHBondContact O-N 3.44Å; Q577-K579 VanDerWaalsContact C-N 3.34Å; Q577-K579 PolarHBondContact O-N 2.87Å; K579-K581 PolarHBondContact O-N 3.23Å; K579-K582 PolarHBondContact O-N 3.42Å; K579-V583 WeakPolarHBondContact O-CG2 3.35Å; K579-V583 PolarHBondContact O-N 2.85Å
580Q76.5Confident74.8Confident133 Ų133103.7 Ų103.762%0.62152%0.517SS*.Hα-helixtrans-59.7-45177.5-71.7177.38.100111.7E576 Q577 K582 V583 A584E576-Q580 WeakPolarHBondContact O-CG 3.47Å; E576-Q580 PolarHBondContact O-N 3.36Å; Q577-Q580 PolarHBondContact O-N 2.92Å; Q580-K582 PolarHBondContact O-N 3.43Å; Q580-V583 PolarHBondContact O-N 2.93Å; Q580-A584 WeakPolarHBondContact O-CB 3.29Å; Q580-A584 PolarHBondContact O-N 3.02Å
581K76.5Confident74.5Confident148 Ų148108 Ų10864%0.64353%0.531SS*.Hα-helixtrans-61.3-39.7175.1-73.7180-179.1178.70112.6Q577 K579 G585Q577-K581 WeakPolarHBondContact O-CG 3.45Å; Q577-K581 PolarHBondContact O-N 2.94Å; K579-K581 PolarHBondContact O-N 3.23Å; K581-G585 PolarHBondContact O-N 3.44Å
582K76.8Confident74.4Confident156 Ų156111.1 Ų111.168%0.67854%0.539SS*.Hα-helixtrans-65.1-44175-82.3-176.4177.7178.40112.4A578 K579 Q580 G585 Q586A578-K582 PolarHBondContact O-N 3.2Å; K579-K582 PolarHBondContact O-N 3.42Å; Q580-K582 PolarHBondContact O-N 3.43Å; K582-G585 PolarHBondContact O-N 2.65Å; K582-Q586 WeakPolarHBondContact O-CG 3.39Å; K582-Q586 PolarHBondContact O-N 3.43Å
583V76.9Confident74.2Confident79 Ų79107.7 Ų107.748%0.47953%0.532SS..Hα-helixtrans-65-43.8177.61740000110.5K579 Q580 G585 Q586 N587K579-V583 WeakPolarHBondContact O-CG2 3.35Å; K579-V583 PolarHBondContact O-N 2.85Å; Q580-V583 PolarHBondContact O-N 2.93Å; V583-G585 PolarHBondContact O-N 3Å; V583-Q586 PolarHBondContact O-N 2.91Å; V583-N587 WeakPolarHBondContact O-CB 3.4Å; V583-N587 PolarHBondContact O-N 3.5Å
584A74.4Confident73.6Confident51 Ų51106.8 Ų106.842%0.42154%0.536SS..Hα-helixtrans-57.3-48.2173.500000111.1Q580 Q586 N587 S588Q580-A584 WeakPolarHBondContact O-CB 3.29Å; Q580-A584 PolarHBondContact O-N 3.02Å; A584-Q586 PolarHBondContact O-N 3.4Å; A584-N587 PolarHBondContact O-N 2.93Å; A584-S588 PolarHBondContact O-N 3.01Å; A584-S588 PolarHBondContact O-OG 3.08Å
585G73.7Confident73Confident34 Ų34109.1 Ų109.135%0.35155%0.547SS..Hα-helixtrans-63.8-36.3177.700000114.5K581 K582 V583 K589K581-G585 PolarHBondContact O-N 3.44Å; K582-G585 PolarHBondContact O-N 2.65Å; V583-G585 PolarHBondContact O-N 3Å; G585-K589 WeakPolarHBondContact O-CG 3.43Å; G585-K589 PolarHBondContact O-N 3.47Å
586Q72.9Confident72.3Confident134 Ų134108.9 Ų108.963%0.62656%0.561SS**Hα-helixtrans-68.3-39.1173.8-75.8-177.5-1.600111.9K582 V583 A584 K589 K590K582-Q586 WeakPolarHBondContact O-CG 3.39Å; K582-Q586 PolarHBondContact O-N 3.43Å; V583-Q586 PolarHBondContact O-N 2.91Å; A584-Q586 PolarHBondContact O-N 3.4Å; Q586-K589 PolarHBondContact O-N 3.05Å; Q586-K590 PolarHBondContact O-N 3.48Å
587N73.1Confident71.3Confident88 Ų88112.9 Ų112.947%0.47158%0.577SS.*Hα-helixtrans-67.5-39.2175.4-75.1-13.8000111.7V583 A584 K590 K591V583-N587 WeakPolarHBondContact O-CB 3.4Å; V583-N587 PolarHBondContact O-N 3.5Å; A584-N587 PolarHBondContact O-N 2.93Å; N587-K590 PolarHBondContact O-N 3.44Å; N587-K591 PolarHBondContact O-N 3.43Å
588S72.1Confident69.9Low64 Ų64117.3 Ų117.345%0.44861%0.614SS.*Hα-helixtrans-61.1-47.2172.8-53.50000111.4A584 K590 K591 E592A584-S588 PolarHBondContact O-N 3.01Å; A584-S588 PolarHBondContact O-OG 3.08Å; S588-K590 PolarHBondContact O-N 2.85Å; S588-K591 PolarHBondContact O-N 3.22Å; S588-K591 VanDerWaalsContact O-N 3.12Å; S588-E592 PolarHBondContact O-N 3.31Å
589K70.8Confident69.5Low149 Ų149120.7 Ų120.765%0.64862%0.624SS**Hα-helixtrans-62.6-38.4176.3-77-177.6178.5-176.60113.1G585 Q586 E592 T593G585-K589 WeakPolarHBondContact O-CG 3.43Å; G585-K589 PolarHBondContact O-N 3.47Å; Q586-K589 PolarHBondContact O-N 3.05Å; K589-E592 PolarHBondContact O-N 3.21Å; K589-T593 PolarHBondContact O-N 3.26Å; K589-T593 PolarHBondContact O-OG1 3.14Å
590K70.7Confident69Low144 Ų144119.2 Ų119.263%0.62662%0.623SS**Hα-helixtrans-62.6-42172.3-96-174.5173.9-178.20111.6Q586 N587 S588 T593 L594Q586-K590 PolarHBondContact O-N 3.48Å; N587-K590 PolarHBondContact O-N 3.44Å; S588-K590 PolarHBondContact O-N 2.85Å; K590-T593 WeakPolarHBondContact CA-OG1 3.29Å; K590-T593 PolarHBondContact O-N 2.96Å; K590-T593 PolarHBondContact O-OG1 3.15Å; K590-L594 WeakPolarHBondContact O-CB 3.46Å; K590-L594 WeakPolarHBondContact O-CD1 3.42Å; K590-L594 VanDerWaalsContact O-CG 3.29Å; K590-L594 WeakPolarHBondContact O-CG 3.29Å; K590-L594 PolarHBondContact O-N 3.06Å
591K69.4Low68.6Low153 Ų153118.4 Ų118.467%0.66562%0.623SS**Hα-helixtrans-65.5-40.4176.1-79.1-175.6175.7-176.80112.4N587 S588 L594 K595N587-K591 PolarHBondContact O-N 3.43Å; S588-K591 PolarHBondContact O-N 3.22Å; S588-K591 VanDerWaalsContact O-N 3.12Å; K591-L594 PolarHBondContact O-N 3.39Å; K591-K595 PolarHBondContact O-N 2.96Å
592E68.9Low68.1Low138 Ų138116.6 Ų116.665%0.64562%0.621SS**Hα-helixtrans-66.7-41.1175.5-75.2176170.600112.3S588 K589 L594 K595 G596S588-E592 PolarHBondContact O-N 3.31Å; K589-E592 PolarHBondContact O-N 3.21Å; E592-L594 VanDerWaalsContact C-N 3.28Å; E592-L594 PolarHBondContact O-N 3.26Å; E592-K595 PolarHBondContact O-N 3.45Å; E592-G596 PolarHBondContact O-N 3.39Å
593T68Low67.6Low90 Ų90114.2 Ų114.255%0.55262%0.618SS**Hα-helixtrans-68.7-25.1175.6300000113.6K589 K590K589-T593 PolarHBondContact O-N 3.26Å; K589-T593 PolarHBondContact O-OG1 3.14Å; K590-T593 WeakPolarHBondContact CA-OG1 3.29Å; K590-T593 PolarHBondContact O-N 2.96Å; K590-T593 PolarHBondContact O-OG1 3.15Å
594L64.5Low67Low129 Ų129116.5 Ų116.568%0.67563%0.627SS**Hα-helixtrans-76.7-38.3171.6-75.3161.4000111.8K590 K591 E592 K597K590-L594 WeakPolarHBondContact O-CB 3.46Å; K590-L594 WeakPolarHBondContact O-CD1 3.42Å; K590-L594 VanDerWaalsContact O-CG 3.29Å; K590-L594 WeakPolarHBondContact O-CG 3.29Å; K590-L594 PolarHBondContact O-N 3.06Å; K591-L594 PolarHBondContact O-N 3.39Å; E592-L594 VanDerWaalsContact C-N 3.28Å; E592-L594 PolarHBondContact O-N 3.26Å; L594-K597 PolarHBondContact O-N 3Å
595K64.7Low66.5Low168 Ų168121.2 Ų121.273%0.7364%0.642SS**Hα-helixtrans-74.1-23.5176.5-77.8-171.1173.6-169.80114.5K591 E592 K597 S598K591-K595 PolarHBondContact O-N 2.96Å; E592-K595 PolarHBondContact O-N 3.45Å; K595-K597 VanDerWaalsContact C-N 3.33Å; K595-S598 PolarHBondContact O-OG 2.89Å
596G59.7Low65.9Low65 Ų65127.9 Ų127.967%0.6766%0.664SS**THydrogen-bonded Turntrans-86.42.3174.700000114.9E592E592-G596 PolarHBondContact O-N 3.39Å
597K57Low65.3Low191 Ų191127.4 Ų127.483%0.8367%0.667SS**  trans-116.4-3.6177-77.3-173.3174.7-1730113.6L594 K595L594-K597 PolarHBondContact O-N 3Å; K595-K597 VanDerWaalsContact C-N 3.33Å
598S44.8Very low64.6Low150 Ų150131 Ų131100%1.04969%0.685SS**  trans-97.70162.767.30000108.7K595K595-S598 PolarHBondContact O-OG 2.89Å

Retrieved 598 of 598 residues in 1143.1 ms (Link to these results)

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