A0A3Q0KLH3_SCHMA Loading...

Putative metabotropic glutamate receptor

AlphaFold DB , UniProt , Accession A0A3Q0KLH3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,094 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
1M44.1Very low69.4Low228 Ų228123.5 Ų123.5100%1.12361%0.613SS**  097.80-93.2175.460.700106I3M1-I3 PolarHBondContact O-N 3Å
2D59.1Low68.9Low122 Ų122123.3 Ų123.365%0.65262%0.615SS**  trans-66.4127.7-169.7-63.2-45.5000111.4D4 R5D2-D4 PolarHBondContact O-N 3.45Å; D2-D4 VanDerWaalsContact O-N 3.12Å; D2-R5 PolarHBondContact O-N 2.92Å
3I71.4Confident68.2Low131 Ų131122.4 Ų122.467%0.67261%0.612SS**Hα-helixtrans-53.4-31178.7-72.4167.7000111M1 R5 F6 I7M1-I3 PolarHBondContact O-N 3Å; I3-R5 PolarHBondContact O-N 3.42Å; I3-F6 WeakPolarHBondContact O-CB 3.45Å; I3-F6 PolarHBondContact O-N 2.97Å; I3-F6 VanDerWaalsContact O-N 3.1Å; I3-I7 HydrophobicContact CG2-CD1 3.79Å; I3-I7 HydrophobicContact CG2-CG1 4.27Å; I3-I7 WeakPolarHBondContact O-CG1 3.29Å; I3-I7 PolarHBondContact O-N 3.43Å
4D72.2Confident66.5Low119 Ų119124.8 Ų124.864%0.63662%0.617SS**Hα-helixtrans-64.3-34.1177.8-66.4-31.6000113.9D2 F6 S8D2-D4 PolarHBondContact O-N 3.45Å; D2-D4 VanDerWaalsContact O-N 3.12Å; D4-F6 VanDerWaalsContact C-N 3.34Å; D4-S8 WeakPolarHBondContact O-CB 3.32Å; D4-S8 PolarHBondContact O-N 3.25Å; D4-S8 PolarHBondContact O-OG 3.42Å
5R69.1Low65Low192 Ų192122.2 Ų122.273%0.72562%0.616SS**Hα-helixtrans-71.3-33.1173.4-84.2-171.7174.9-176.30111.6D2 I3 I9D2-R5 PolarHBondContact O-N 2.92Å; I3-R5 PolarHBondContact O-N 3.42Å; R5-I9 WeakPolarHBondContact O-CD1 3.29Å; R5-I9 VanDerWaalsContact O-CG1 3.28Å; R5-I9 WeakPolarHBondContact O-CG1 3.35Å; R5-I9 PolarHBondContact O-N 3.48Å; R5-I9 VanDerWaalsContact O-N 3.11Å
6F74.2Confident63.2Low133 Ų133121.8 Ų121.858%0.58362%0.621SS**Hα-helixtrans-71-41.5177.7-159.6-102.8000111.3I3 D4 I9 I10I3-F6 WeakPolarHBondContact O-CB 3.45Å; I3-F6 PolarHBondContact O-N 2.97Å; I3-F6 VanDerWaalsContact O-N 3.1Å; D4-F6 VanDerWaalsContact C-N 3.34Å; F6-I9 PolarHBondContact O-N 3.01Å; F6-I10 HydrophobicContact CD1-CD1 3.62Å; F6-I10 HydrophobicContact CD1-CG1 4.37Å; F6-I10 HydrophobicContact CE1-CD1 3.46Å; F6-I10 VanDerWaalsContact CE1-CD1 3.46Å; F6-I10 HydrophobicContact CE1-CG1 4.31Å; F6-I10 HydrophobicContact CZ-CD1 4.35Å; F6-I10 WeakPolarHBondContact O-CG1 3.1Å; F6-I10 PolarHBondContact O-N 3.41Å
7I78.8Confident61.5Low82 Ų82126.1 Ų126.142%0.42163%0.628SS.*Hα-helixtrans-63.8-42.8174.3-65.9171.3000110.6I3 I9 I10 I11I3-I7 HydrophobicContact CG2-CD1 3.79Å; I3-I7 HydrophobicContact CG2-CG1 4.27Å; I3-I7 WeakPolarHBondContact O-CG1 3.29Å; I3-I7 PolarHBondContact O-N 3.43Å; I7-I9 VanDerWaalsContact C-N 3.33Å; I7-I9 PolarHBondContact O-N 3.47Å; I7-I10 PolarHBondContact O-N 3.23Å; I7-I11 HydrophobicContact CG2-CD1 3.76Å; I7-I11 HydrophobicContact CG2-CG1 4.3Å; I7-I11 WeakPolarHBondContact O-CG1 3.13Å; I7-I11 PolarHBondContact O-N 3.38Å
8S74.7Confident59.9Low72 Ų72127.1 Ų127.150%0.50363%0.628SS.*Hα-helixtrans-61.5-40.3177.7-62.10000112.4D4 I11 L12D4-S8 WeakPolarHBondContact O-CB 3.32Å; D4-S8 PolarHBondContact O-N 3.25Å; D4-S8 PolarHBondContact O-OG 3.42Å; S8-I11 PolarHBondContact O-N 3.46Å; S8-L12 WeakPolarHBondContact O-CB 3.06Å; S8-L12 PolarHBondContact O-N 3.25Å
9I74.1Confident58.5Low99 Ų99128.3 Ų128.351%0.50864%0.638SS.*Hα-helixtrans-68.7-40176.4-69.1167.1000111R5 F6 I7 L12 I13R5-I9 WeakPolarHBondContact O-CD1 3.29Å; R5-I9 VanDerWaalsContact O-CG1 3.28Å; R5-I9 WeakPolarHBondContact O-CG1 3.35Å; R5-I9 PolarHBondContact O-N 3.48Å; R5-I9 VanDerWaalsContact O-N 3.11Å; F6-I9 PolarHBondContact O-N 3.01Å; I7-I9 VanDerWaalsContact C-N 3.33Å; I7-I9 PolarHBondContact O-N 3.47Å; I9-L12 PolarHBondContact O-N 3.47Å; I9-I13 HydrophobicContact CG2-CD1 3.61Å; I9-I13 HydrophobicContact CG2-CG1 4.29Å; I9-I13 WeakPolarHBondContact O-CB 3.17Å; I9-I13 VanDerWaalsContact O-CG1 3.23Å; I9-I13 WeakPolarHBondContact O-CG1 3.23Å; I9-I13 PolarHBondContact O-N 2.76Å
10I72.2Confident57Low71 Ų71128.9 Ų128.936%0.36464%0.642SS.*Hα-helixtrans-64.1-43.4175.8-72.7177.4000110.9F6 I7 L12 I13 F14F6-I10 HydrophobicContact CD1-CD1 3.62Å; F6-I10 HydrophobicContact CD1-CG1 4.37Å; F6-I10 HydrophobicContact CE1-CD1 3.46Å; F6-I10 VanDerWaalsContact CE1-CD1 3.46Å; F6-I10 HydrophobicContact CE1-CG1 4.31Å; F6-I10 HydrophobicContact CZ-CD1 4.35Å; F6-I10 WeakPolarHBondContact O-CG1 3.1Å; F6-I10 PolarHBondContact O-N 3.41Å; I7-I10 PolarHBondContact O-N 3.23Å; I10-L12 VanDerWaalsContact C-N 3.29Å; I10-L12 PolarHBondContact O-N 3.21Å; I10-I13 PolarHBondContact O-N 2.97Å; I10-F14 HydrophobicContact CG2-CD2 3.68Å; I10-F14 HydrophobicContact CG2-CE2 4.04Å; I10-F14 WeakPolarHBondContact O-CB 3.36Å; I10-F14 WeakPolarHBondContact O-CD2 3.08Å; I10-F14 PolarHBondContact O-N 2.94Å
11I73.5Confident56Low109 Ų109128.6 Ų128.656%0.55964%0.642SS**Hα-helixtrans-59.9-44.1175.6-68.3169.5000109.5I7 S8 I13 F14 S15I7-I11 HydrophobicContact CG2-CD1 3.76Å; I7-I11 HydrophobicContact CG2-CG1 4.3Å; I7-I11 WeakPolarHBondContact O-CG1 3.13Å; I7-I11 PolarHBondContact O-N 3.38Å; S8-I11 PolarHBondContact O-N 3.46Å; I11-I13 PolarHBondContact O-N 3.27Å; I11-F14 PolarHBondContact O-N 3.19Å; I11-S15 WeakPolarHBondContact O-CB 3.24Å; I11-S15 PolarHBondContact O-N 3.29Å; I11-S15 PolarHBondContact O-OG 2.78Å
12L63.2Low55.4Low122 Ų122122 Ų12264%0.63962%0.618SS**Hα-helixtrans-64.8-36.8178.9-129.9142.9000112.8S8 I9 I10 S15 V16S8-L12 WeakPolarHBondContact O-CB 3.06Å; S8-L12 PolarHBondContact O-N 3.25Å; I9-L12 PolarHBondContact O-N 3.47Å; I10-L12 VanDerWaalsContact C-N 3.29Å; I10-L12 PolarHBondContact O-N 3.21Å; L12-S15 WeakPolarHBondContact CA-OG 3.36Å; L12-S15 PolarHBondContact O-OG 2.78Å; L12-S15 VanDerWaalsContact O-OG 3.07Å; L12-V16 VanDerWaalsContact O-CG2 3.28Å; L12-V16 WeakPolarHBondContact O-CG2 3.18Å
13I59.5Low54Low111 Ų111122.2 Ų122.257%0.56963%0.628SS**Hα-helixtrans-72.7-37.9175.9-68.1168.1000111.1I9 I10 I11 V16I9-I13 HydrophobicContact CG2-CD1 3.61Å; I9-I13 HydrophobicContact CG2-CG1 4.29Å; I9-I13 WeakPolarHBondContact O-CB 3.17Å; I9-I13 VanDerWaalsContact O-CG1 3.23Å; I9-I13 WeakPolarHBondContact O-CG1 3.23Å; I9-I13 PolarHBondContact O-N 2.76Å; I10-I13 PolarHBondContact O-N 2.97Å; I11-I13 PolarHBondContact O-N 3.27Å; I13-V16 PolarHBondContact O-N 3.46Å
14F45.4Very low52Low156 Ų156124.4 Ų124.468%0.68464%0.635SS**Hα-helixtrans-77.5-27.1178.6-92.1-85.7000113.5I10 I11 V16I10-F14 HydrophobicContact CG2-CD2 3.68Å; I10-F14 HydrophobicContact CG2-CE2 4.04Å; I10-F14 WeakPolarHBondContact O-CB 3.36Å; I10-F14 WeakPolarHBondContact O-CD2 3.08Å; I10-F14 PolarHBondContact O-N 2.94Å; I11-F14 PolarHBondContact O-N 3.19Å; F14-V16 PolarHBondContact O-N 3.22Å
15S43.1Very low50.1Low86 Ų86124.1 Ų124.160%0.60164%0.64SS**THydrogen-bonded Turntrans-72.8-5171.848.90000113.6I11 L12I11-S15 WeakPolarHBondContact O-CB 3.24Å; I11-S15 PolarHBondContact O-N 3.29Å; I11-S15 PolarHBondContact O-OG 2.78Å; L12-S15 WeakPolarHBondContact CA-OG 3.36Å; L12-S15 PolarHBondContact O-OG 2.78Å; L12-S15 VanDerWaalsContact O-OG 3.07Å
16V36.8Very low48.3Very low116 Ų116117.9 Ų117.970%0.70364%0.635SS**THydrogen-bonded Turntrans-99.422.5177.5179.80000111.9L12 I13 F14L12-V16 VanDerWaalsContact O-CG2 3.28Å; L12-V16 WeakPolarHBondContact O-CG2 3.18Å; I13-V16 PolarHBondContact O-N 3.46Å; F14-V16 PolarHBondContact O-N 3.22Å
17R34.6Very low46.1Very low194 Ų194122.6 Ų122.673%0.73265%0.649SS**SBendtrans-108.9114169.2-93.7-161.8171.9-179.5-1.4113.1
18F32.8Very low43.8Very low145 Ų145125.3 Ų125.364%0.63666%0.659SS**  trans7265.8147.7-75.3-103.1000117.5L20F18-L20 HydrophobicContact CD1-CB 4.04Å; F18-L20 HydrophobicContact CD1-CD1 3.34Å; F18-L20 HydrophobicContact CD1-CG 4.26Å; F18-L20 HydrophobicContact CE1-CD1 3.28Å; F18-L20 HydrophobicContact CZ-CD1 4.49Å; F18-L20 PolarHBondContact O-N 3.26Å
19D32.2Very low41.7Very low150 Ų150131.7 Ų131.780%0.80268%0.678SS**  trans-85.373.6137.8-80.3-31.1000108.3I21D19-I21 HydrophobicContact CB-CD1 4.05Å; D19-I21 HydrophobicContact CB-CG1 4.06Å; D19-I21 PolarHBondContact O-N 3.47Å
20L30Very low39.9Very low139 Ų139135 Ų13573%0.72869%0.686SS**  trans-78.667.3160.8-131152.1000106.1F18 S22F18-L20 HydrophobicContact CD1-CB 4.04Å; F18-L20 HydrophobicContact CD1-CD1 3.34Å; F18-L20 HydrophobicContact CD1-CG 4.26Å; F18-L20 HydrophobicContact CE1-CD1 3.28Å; F18-L20 HydrophobicContact CZ-CD1 4.49Å; F18-L20 PolarHBondContact O-N 3.26Å; L20-S22 VanDerWaalsContact C-N 3.3Å; L20-S22 PolarHBondContact O-N 2.8Å
21I34.3Very low38.3Very low124 Ų124136.4 Ų136.464%0.63669%0.69SS**  trans-76.593.1173.3-64.4171.6000105.9D19 C23D19-I21 HydrophobicContact CB-CD1 4.05Å; D19-I21 HydrophobicContact CB-CG1 4.06Å; D19-I21 PolarHBondContact O-N 3.47Å; I21-C23 PolarHBondContact O-N 2.98Å
22S32.7Very low37.1Very low89 Ų89133.4 Ų133.462%0.62268%0.679SS**  trans17.994.2138.142.20000114.5L20 E24L20-S22 VanDerWaalsContact C-N 3.3Å; L20-S22 PolarHBondContact O-N 2.8Å; S22-E24 PolarHBondContact O-N 3.28Å
23C29.6Very low36.6Very low127 Ų127128.5 Ų128.586%0.85866%0.655SS**  trans-61.293.4152.5-72.80000107.2I21 P25I21-C23 PolarHBondContact O-N 2.98Å; C23-P25 WeakPolarHBondContact O-CD 3.5Å
24E29.7Very low37Very low176 Ų176124.4 Ų124.482%0.82264%0.636SS**  trans-61.6125.5156.5-86.2-172.9154.200107.4S22 G26S22-E24 PolarHBondContact O-N 3.28Å; E24-G26 PolarHBondContact O-N 2.83Å
25P32.7Very low37.8Very low113 Ų113118.9 Ų118.973%0.73461%0.614SS**  trans-7774.2176.932.5-31.8000108.2C23 R27C23-P25 WeakPolarHBondContact O-CD 3.5Å; P25-R27 PolarHBondContact O-N 2.6Å
26G30.6Very low38.4Very low61 Ų61122.6 Ų122.663%0.62962%0.622SS**  trans-67.477.8156.600000107.9E24 H28E24-G26 PolarHBondContact O-N 2.83Å; G26-H28 PolarHBondContact O-N 3.04Å
27R27.1Very low39Very low232 Ų232124.2 Ų124.288%0.87563%0.627SS**  trans-63.476.4169-78.1-178.5172.9177.6-2.4108.8P25 K29P25-R27 PolarHBondContact O-N 2.6Å; R27-K29 PolarHBondContact O-N 3.46Å
28H31.8Very low40Very low139 Ų139119.1 Ų119.164%0.64461%0.614SS**  trans-72.6111.8141.5-74.9-76.8000104.8G26 Y30G26-H28 PolarHBondContact O-N 3.04Å; H28-Y30 HydrophobicContact CB-CD2 3.95Å; H28-Y30 HydrophobicContact CB-CE1 4.38Å; H28-Y30 HydrophobicContact CB-CE2 3.48Å; H28-Y30 VanDerWaalsContact CB-CE2 3.48Å; H28-Y30 VanDerWaalsContact O-CD2 3.25Å; H28-Y30 WeakPolarHBondContact O-CD2 3.36Å; H28-Y30 PolarHBondContact O-N 2.9Å
29K29.5Very low41.3Very low207 Ų207113.3 Ų113.390%0.959%0.592SS**  trans-58.687.3164.2-91.8176.6164.5-177.50106.2R27R27-K29 PolarHBondContact O-N 3.46Å
30Y36.5Very low43.3Very low169 Ų169108.5 Ų108.566%0.66356%0.564SS**  trans-73.1124.9166.1-68.5-76000106.6H28 S32H28-Y30 HydrophobicContact CB-CD2 3.95Å; H28-Y30 HydrophobicContact CB-CE1 4.38Å; H28-Y30 HydrophobicContact CB-CE2 3.48Å; H28-Y30 VanDerWaalsContact CB-CE2 3.48Å; H28-Y30 VanDerWaalsContact O-CD2 3.25Å; H28-Y30 WeakPolarHBondContact O-CD2 3.36Å; H28-Y30 PolarHBondContact O-N 2.9Å; Y30-S32 PolarHBondContact O-N 2.77Å
31E39.5Very low45.8Very low99 Ų99103.8 Ų103.846%0.46354%0.537SS..  trans-59.4131.3-170.2-71.8164.5157.800111.4T33 N373E31-T33 PolarHBondContact O-N 3.41Å; E31-N373 WeakPolarHBondContact OE1-CB 3.01Å; E31-N373 PolarHBondContact OE1-ND2 3.12Å
32S47.2Very low48.2Very low46 Ų4698 Ų9832%0.32251%0.508SS..  trans-75.532-176.335.80000113.6Y30 T35 D38Y30-S32 PolarHBondContact O-N 2.77Å; S32-T35 PolarHBondContact O-N 2.87Å; S32-T35 PolarHBondContact O-OG1 3.05Å; S32-D38 WeakPolarHBondContact CB-OD2 3.36Å; S32-D38 VanDerWaalsContact OG-CB 3.31Å; S32-D38 WeakPolarHBondContact OG-CB 3.34Å; S32-D38 VanDerWaalsContact OG-CG 3.3Å; S32-D38 PolarHBondContact OG-OD2 2.93Å
33T54.1Low50.8Low20 Ų2098.8 Ų98.812%0.12350%0.498CS..THydrogen-bonded Turntrans-67.3139.3-178.846.50000111.3E31 E40 R60E31-T33 PolarHBondContact O-N 3.41Å; T33-E40 HydrophobicContact CG2-CB 4.06Å; T33-E40 VanDerWaalsContact CG2-OE2 3.31Å; T33-E40 WeakPolarHBondContact CG2-OE2 3.31Å; T33-R60 PolarHBondContact O-NH2 3.5Å
34C67.7Low53.6Low25 Ų2594.6 Ų94.617%0.16946%0.464CS..THydrogen-bonded Turntrans67.924.7-169.2-52.30000116.2P70 C109C34-P70 HydrophobicContact CB-CB 4.45Å; C34-P70 HydrophobicContact CB-CG 4.16Å; C34-C109 VanDerWaalsContact CA-SG 3.51Å; C34-C109 HydrophobicContact CB-CB 3.73Å; C34-C109 WeakPolarHBondContact CB-SG 3.48Å; C34-C109 WeakPolarHBondContact SG-CB 3.29Å; C34-C109 CovalentContact SG-SG 2.02Å; C34-C109 PolarHBondContact SG-SG 3.42Å
35T61.6Low56.2Low39 Ų3988.3 Ų88.324%0.23945%0.447CS..BIsolated β-bridgetrans-101.1157.6164.262.10000110.9S32 D37S32-T35 PolarHBondContact O-N 2.87Å; S32-T35 PolarHBondContact O-OG1 3.05Å; T35-D37 PolarHBondContact O-N 3.09Å
36E55Low58.9Low165 Ų16583.8 Ų83.877%0.77142%0.421SS*.THydrogen-bonded Turntrans-59.9-27.5176.3-71.1179.517100112.7
37D50.7Low61.5Low149 Ų14985.1 Ų85.180%0.79741%0.413SS*.THydrogen-bonded Turntrans-92.2-18.3-169.6-72.3-31.9000115T35T35-D37 PolarHBondContact O-N 3.09Å
38D54.4Low64.4Low87 Ų8774.1 Ų74.147%0.46537%0.372SS..BIsolated β-bridgetrans-138.382.8-179.8-76.8-49.6000111.1S32 E40S32-D38 WeakPolarHBondContact CB-OD2 3.36Å; S32-D38 VanDerWaalsContact OG-CB 3.31Å; S32-D38 WeakPolarHBondContact OG-CB 3.34Å; S32-D38 VanDerWaalsContact OG-CG 3.3Å; S32-D38 PolarHBondContact OG-OD2 2.93Å; D38-E40 PolarHBondContact O-N 3.2Å
39S59.8Low67.2Low24 Ų2467.6 Ų67.617%0.16834%0.342CS..  trans-81.693.6170.946.90000110.9Y41 H121S39-Y41 PolarHBondContact O-N 2.85Å; S39-H121 PolarHBondContact OG-NE2 2.81Å; S39-H121 VanDerWaalsContact OG-NE2 3.08Å
40E75Confident70.3Confident48 Ų4857.8 Ų57.822%0.22430%0.299CS..  trans-64.2126.3169.8-165.6175.6-171.900110T33 D38 T372 N373T33-E40 HydrophobicContact CG2-CB 4.06Å; T33-E40 VanDerWaalsContact CG2-OE2 3.31Å; T33-E40 WeakPolarHBondContact CG2-OE2 3.31Å; D38-E40 PolarHBondContact O-N 3.2Å; E40-T372 WeakPolarHBondContact OE1-CB 3.18Å; E40-N373 WeakPolarHBondContact OE1-CB 3.38Å; E40-N373 PolarHBondContact OE1-N 2.95Å
41Y81.7Confident73Confident40 Ų4049.7 Ų49.716%0.15727%0.268CS..EExtended strand (participates in β ladder)trans-124.1153-177.466.4-88.3000111S39 L104 I105 F106 F125 L128 D132S39-Y41 PolarHBondContact O-N 2.85Å; Y41-L104 HydrophobicContact CD2-CD1 3.63Å; Y41-L104 HydrophobicContact CE2-CD1 4.33Å; Y41-L104 HydrophobicContact CG-CD1 4.3Å; Y41-I105 WeakPolarHBondContact CA-O 3.48Å; Y41-F106 HydrophobicContact CD1-CE1 4.43Å; Y41-F106 HydrophobicContact CG-CE1 4.13Å; Y41-F106 HydrophobicContact CG-CZ 4.43Å; Y41-F125 HydrophobicContact CD2-CE2 4.29Å; Y41-F125 HydrophobicContact CD2-CZ 4.06Å; Y41-F125 HydrophobicContact CE2-CE2 4.2Å; Y41-F125 AromaticContact CE2-CZ 3.63Å; Y41-F125 HydrophobicContact CE2-CZ 3.63Å; Y41-L128 HydrophobicContact CD1-CD1 4.43Å; Y41-L128 HydrophobicContact CE1-CD1 4.24Å; Y41-D132 PolarHBondContact OH-OD2 3.46Å
42L86.1Confident75.7Confident3 Ų345 Ų452%0.01625%0.246CC..EExtended strand (participates in β ladder)trans-107.4116.1173.4-177.1156.7000109L80 L84 I105 L371 T372L42-L80 HydrophobicContact CD1-CD1 4.27Å; L42-L80 HydrophobicContact CD1-CD2 4.15Å; L42-L84 HydrophobicContact CD2-CD2 4.49Å; L42-I105 HydrophobicContact CB-CB 4.23Å; L42-I105 HydrophobicContact CD2-CD1 4.14Å; L42-I105 HydrophobicContact CD2-CG1 4.41Å; L42-I105 PolarHBondContact N-O 3.49Å; L42-I105 PolarHBondContact O-N 3.27Å; L42-L371 HydrophobicContact CD1-CB 3.84Å; L42-L371 HydrophobicContact CD1-CD1 3.79Å; L42-L371 HydrophobicContact CD1-CG 4.49Å; L42-L371 HydrophobicContact CD2-CD1 4.22Å; L42-L371 HydrophobicContact CG-CB 4.13Å; L42-L371 HydrophobicContact CG-CD1 4.11Å; L42-T372 HydrophobicContact CB-CG2 3.85Å; L42-T372 HydrophobicContact CD1-CG2 4.23Å; L42-T372 HydrophobicContact CG-CG2 4.29Å
43Y86.9Confident78Confident105 Ų10542.8 Ų42.841%0.41223%0.23SC..EExtended strand (participates in β ladder)trans-95121.2171.8178.4-100.9000110.2L49Y43-L49 HydrophobicContact CE2-CD1 3.9Å; Y43-L49 HydrophobicContact CE2-CD2 4.01Å
44Y88.3Confident80Confident39 Ų3941.9 Ų41.915%0.15322%0.224CC..EExtended strand (participates in β ladder)trans-115.2112.8173.9-160.4-109000109L84 I87 D88 G102 A103 R367 L371Y44-L84 HydrophobicContact CD1-CD2 3.85Å; Y44-L84 HydrophobicContact CD2-CD1 4.49Å; Y44-L84 HydrophobicContact CD2-CD2 3.87Å; Y44-L84 HydrophobicContact CE1-CD2 4.29Å; Y44-L84 HydrophobicContact CE2-CD2 4.33Å; Y44-L84 HydrophobicContact CG-CD2 3.61Å; Y44-I87 HydrophobicContact CD1-CG2 4.08Å; Y44-I87 HydrophobicContact CE1-CG2 3.92Å; Y44-D88 WeakPolarHBondContact CE1-OD1 3.49Å; Y44-D88 PolarHBondContact OH-OD1 3.28Å; Y44-D88 PolarHBondContact OH-OD2 3.27Å; Y44-D88 VanDerWaalsContact OH-OD2 3.12Å; Y44-G102 CarbonylContact O-C 3.49Å; Y44-G102 WeakPolarHBondContact O-CA 3.28Å; Y44-A103 PolarHBondContact N-O 3.39Å; Y44-A103 PolarHBondContact O-N 3.4Å; Y44-R367 HydrophobicContact CE2-CG 4.13Å; Y44-R367 PolarHBondContact OH-NE 3.06Å; Y44-L371 HydrophobicContact CD2-CD1 4.46Å
45G85.2Confident81.1Confident45 Ų4540.9 Ų40.946%0.46422%0.218SC..  trans-58.9144.2-168.900000114.2
46G87.9Confident82.5Confident18 Ų1839.1 Ų39.119%0.18621%0.207CC..  trans176165.8174.100000111.3S100G46-S100 WeakPolarHBondContact CA-OG 3.43Å
47D85.6Confident84.1Confident88 Ų8831.9 Ų31.947%0.47117%0.173SC..SBendtrans-75.1-33.4-179.7-58.5-57.5000112.2F99 S100D47-F99 HydrophobicContact CB-CB 3.93Å; D47-S100 VanDerWaalsContact CG-OG 3.26Å; D47-S100 PolarHBondContact N-O 2.85Å; D47-S100 PolarHBondContact N-OG 2.69Å; D47-S100 PolarHBondContact OD2-N 3.22Å; D47-S100 PolarHBondContact OD2-OG 3.36Å
48V87.6Confident85.6Confident2 Ų228.3 Ų28.31%0.01215%0.151CC..EExtended strand (participates in β ladder)trans-122.1113179.3177.30000109.1F99 S100 L101 G102 T152 L434 W446V48-F99 HydrophobicContact CB-CD2 3.89Å; V48-F99 HydrophobicContact CB-CE2 3.94Å; V48-F99 HydrophobicContact CG1-CE2 4.41Å; V48-F99 HydrophobicContact CG2-CD2 3.37Å; V48-F99 HydrophobicContact CG2-CE2 3.56Å; V48-F99 HydrophobicContact CG2-CG 3.98Å; V48-F99 HydrophobicContact CG2-CZ 4.28Å; V48-S100 PolarHBondContact N-O 3.39Å; V48-L101 HydrophobicContact CB-CD2 4.2Å; V48-L101 HydrophobicContact CG1-CD2 4.3Å; V48-L101 WeakPolarHBondContact O-CA 3.19Å; V48-G102 PolarHBondContact O-N 3.15Å; V48-T152 HydrophobicContact CG1-CG2 4.23Å; V48-T152 WeakPolarHBondContact CG1-OG1 3.42Å; V48-L434 HydrophobicContact CG1-CD1 4.34Å; V48-W446 HydrophobicContact CG2-CB 4.49Å; V48-W446 HydrophobicContact CG2-CD2 4.5Å; V48-W446 HydrophobicContact CG2-CG 4.13Å
49L90.6Very high86.8Confident2 Ų229.8 Ų29.81%0.0115%0.15CC..EExtended strand (participates in β ladder)trans-87.6135.9-176.9-59.6-175.3000112.5Y43 T149 V151 T152Y43-L49 HydrophobicContact CE2-CD1 3.9Å; Y43-L49 HydrophobicContact CE2-CD2 4.01Å; L49-T149 HydrophobicContact CD1-CG2 3.33Å; L49-T149 HydrophobicContact CG-CG2 3.99Å; L49-V151 WeakPolarHBondContact O-CA 3.44Å; L49-T152 PolarHBondContact O-N 3.46Å; L49-T152 PolarHBondContact O-OG1 2.84Å
50L94.6Very high87.4Confident0 Ų032.3 Ų32.30%016%0.156CC..EExtended strand (participates in β ladder)trans-100.6140.3166.6-54.9-173.9000109.7M83 G102 A103 L104 V427 I430L50-M83 HydrophobicContact CB-CE 3.61Å; L50-M83 HydrophobicContact CD1-CE 4.4Å; L50-G102 PolarHBondContact N-O 3.45Å; L50-A103 CarbonylContact O-C 3.5Å; L50-A103 VanDerWaalsContact O-CA 3.23Å; L50-A103 WeakPolarHBondContact O-CA 3.49Å; L50-L104 PolarHBondContact O-N 3.23Å; L50-V427 HydrophobicContact CD1-CG1 4.24Å; L50-I430 HydrophobicContact CD1-CD1 4.41Å; L50-I430 HydrophobicContact CD1-CG2 4.42Å; L50-I430 HydrophobicContact CD2-CG2 3.69Å
51G94.6Very high87Confident0 Ų033.2 Ų33.20%016%0.162CC..EExtended strand (participates in β ladder)trans-81.5132.1172.800000109L104 A153 V154 V155G51-L104 CarbonylContact C-O 3.5Å; G51-L104 WeakPolarHBondContact CA-O 3.37Å; G51-A153 PolarHBondContact N-O 3.02Å; G51-V154 CarbonylContact O-C 3.52Å; G51-V154 WeakPolarHBondContact O-CA 3.46Å; G51-V155 PolarHBondContact O-N 3.08Å
52G95.8Very high86.2Confident0 Ų035.5 Ų35.50%018%0.176CC..EExtended strand (participates in β ladder)trans-111.7129.3173.400000110.4L104 I105 F106 V155G52-L104 PolarHBondContact N-O 3.23Å; G52-I105 WeakPolarHBondContact O-CA 3.24Å; G52-F106 PolarHBondContact O-N 3.09Å; G52-V155 WeakPolarHBondContact CA-O 3.26Å
53L96Very high84.9Confident0 Ų038.7 Ų38.70%019%0.193CC..EExtended strand (participates in β ladder)trans-122.4107.8172.5-70.2177.6000109.1F106 T108 Q118 F122 V154 V155 G157 V166 Y180L53-F106 HydrophobicContact CD2-CB 4.21Å; L53-T108 HydrophobicContact CB-CG2 3.7Å; L53-T108 HydrophobicContact CD2-CG2 4.16Å; L53-T108 HydrophobicContact CG-CG2 4.41Å; L53-Q118 HydrophobicContact CD2-CB 4.22Å; L53-F122 HydrophobicContact CD1-CE2 4.1Å; L53-F122 HydrophobicContact CD2-CE2 3.88Å; L53-F122 HydrophobicContact CD2-CZ 3.78Å; L53-F122 HydrophobicContact CG-CE2 3.86Å; L53-F122 HydrophobicContact CG-CZ 3.92Å; L53-V154 HydrophobicContact CD1-CG1 3.82Å; L53-V154 HydrophobicContact CG-CG1 4.04Å; L53-V155 PolarHBondContact N-O 2.98Å; L53-G157 PolarHBondContact O-N 3.36Å; L53-V166 HydrophobicContact CD1-CB 4.26Å; L53-V166 HydrophobicContact CD1-CG1 3.59Å; L53-V166 HydrophobicContact CD1-CG2 3.66Å; L53-Y180 PolarHBondContact O-OH 3.01Å
54F95Very high83.8Confident0 Ų042.8 Ų42.80%021%0.213CC..EExtended strand (participates in β ladder)trans-124.3148.3-176.6-63.3-84.6000111.8I56 L79 L80 M83 I105 F106 D107 T108 Y180 V423F54-I56 VanDerWaalsContact C-N 3.32Å; F54-I56 HydrophobicContact CB-CG1 4.21Å; F54-I56 PolarHBondContact O-N 2.66Å; F54-I56 VanDerWaalsContact O-N 3.13Å; F54-L79 HydrophobicContact CD1-CB 3.54Å; F54-L79 VanDerWaalsContact CE1-C 3.45Å; F54-L79 HydrophobicContact CE1-CB 3.8Å; F54-L79 VanDerWaalsContact CE1-O 3.26Å; F54-L79 WeakPolarHBondContact CE1-O 3.48Å; F54-L80 HydrophobicContact CD2-CB 4.32Å; F54-L80 HydrophobicContact CG-CB 4.26Å; F54-M83 HydrophobicContact CE2-CB 4.32Å; F54-M83 HydrophobicContact CE2-SD 3.53Å; F54-M83 VanDerWaalsContact CE2-SD 3.53Å; F54-M83 HydrophobicContact CZ-CB 3.76Å; F54-M83 HydrophobicContact CZ-CG 4.32Å; F54-M83 HydrophobicContact CZ-SD 3.65Å; F54-I105 HydrophobicContact CD2-CG2 3.51Å; F54-I105 HydrophobicContact CE2-CD1 4.23Å; F54-I105 HydrophobicContact CE2-CG2 4Å; F54-F106 PolarHBondContact N-O 3.22Å; F54-D107 WeakPolarHBondContact O-CA 3.42Å; F54-D107 VanDerWaalsContact O-OD1 3.13Å; F54-T108 PolarHBondContact O-N 3.14Å; F54-T108 PolarHBondContact O-OG1 2.86Å; F54-T108 VanDerWaalsContact O-OG1 3.13Å; F54-Y180 AromaticContact CD1-CE1 3.8Å; F54-Y180 HydrophobicContact CD1-CE1 3.8Å; F54-Y180 AromaticContact CD1-CZ 3.67Å; F54-Y180 VanDerWaalsContact CD1-OH 3.23Å; F54-Y180 WeakPolarHBondContact CD1-OH 3.43Å; F54-Y180 HydrophobicContact CE1-CD1 4.27Å; F54-Y180 AromaticContact CE1-CE1 3.45Å; F54-Y180 HydrophobicContact CE1-CE1 3.45Å; F54-Y180 VanDerWaalsContact CE1-CE1 3.45Å; F54-Y180 AromaticContact CE1-CZ 3.79Å; F54-Y180 HydrophobicContact CZ-CE1 4.15Å; F54-V423 HydrophobicContact CE1-CG1 4.17Å; F54-V423 HydrophobicContact CE1-CG2 4.37Å; F54-V423 HydrophobicContact CZ-CG1 4.3Å
55P91.7Very high82.7Confident4 Ų444.1 Ų44.13%0.02624%0.239CC..  trans-83.676.4175.834.4-35000109.3T73 G76 T108 E110 S158 Y180P55-T73 WeakPolarHBondContact O-CB 3.36Å; P55-T73 WeakPolarHBondContact O-CG2 3.35Å; P55-T73 PolarHBondContact O-OG1 2.79Å; P55-G76 WeakPolarHBondContact O-CA 3.28Å; P55-T108 WeakPolarHBondContact CA-OG1 3.13Å; P55-E110 HydrophobicContact CB-CG 3.62Å; P55-S158 WeakPolarHBondContact CG-OG 3.46Å; P55-Y180 WeakPolarHBondContact CD-OH 3.37Å
56I90.8Very high81.9Confident3 Ų347.8 Ų47.82%0.01525%0.247CC..  trans-72.3-44.5-177.2-50.8-179.5000109.4F54 L72 T73 L80 D107 W374F54-I56 VanDerWaalsContact C-N 3.32Å; F54-I56 HydrophobicContact CB-CG1 4.21Å; F54-I56 PolarHBondContact O-N 2.66Å; F54-I56 VanDerWaalsContact O-N 3.13Å; I56-L72 HydrophobicContact CG2-CD2 3.95Å; I56-T73 PolarHBondContact O-N 2.79Å; I56-L80 HydrophobicContact CD1-CD1 4.04Å; I56-D107 WeakPolarHBondContact CA-OD1 3.13Å; I56-D107 HydrophobicContact CB-CB 4.05Å; I56-D107 VanDerWaalsContact CB-CG 3.45Å; I56-D107 WeakPolarHBondContact CB-OD1 3.45Å; I56-D107 HydrophobicContact CD1-CB 3.95Å; I56-D107 HydrophobicContact CG1-CB 4.06Å; I56-D107 PolarHBondContact N-OD1 3.21Å; I56-W374 HydrophobicContact CD1-CH2 3.92Å; I56-W374 HydrophobicContact CD1-CZ2 3.47Å; I56-W374 VanDerWaalsContact CD1-CZ2 3.47Å; I56-W374 HydrophobicContact CG2-CD2 3.54Å; I56-W374 HydrophobicContact CG2-CE3 3.32Å; I56-W374 HydrophobicContact CG2-CG 4.27Å; I56-W374 HydrophobicContact CG2-CH2 3.96Å; I56-W374 HydrophobicContact CG2-CZ2 4.14Å; I56-W374 HydrophobicContact CG2-CZ3 3.53Å
57H88.6Confident80.9Confident12 Ų1251.6 Ų51.66%0.05626%0.262CS..BIsolated β-bridgetrans-110.4156.4170.4-57.484.1000112.7P70 Q71 L72 D107 C109H57-P70 HydrophobicContact CB-CB 3.96Å; H57-Q71 CarbonylContact C-O 3.59Å; H57-Q71 WeakPolarHBondContact CA-O 3.48Å; H57-L72 VanDerWaalsContact NE2-CD2 3.29Å; H57-L72 WeakPolarHBondContact NE2-CD2 3.36Å; H57-D107 WeakPolarHBondContact CB-OD2 3.47Å; H57-D107 IonicContact CE1-OD2 3.99Å; H57-D107 IonicContact CG-OD2 3.75Å; H57-D107 PolarHBondContact N-OD1 2.9Å; H57-D107 PolarHBondContact N-OD2 3.1Å; H57-D107 VanDerWaalsContact N-OD2 3.08Å; H57-D107 IonicContact ND1-OD2 2.69Å; H57-D107 PolarHBondContact ND1-OD2 3.35Å; H57-C109 CarbonylContact O-C 3.27Å; H57-C109 VanDerWaalsContact O-C 3.27Å; H57-C109 VanDerWaalsContact O-CA 3.24Å; H57-C109 WeakPolarHBondContact O-CA 3.27Å
58Q82.1Confident80.2Confident74 Ų7451.5 Ų51.535%0.34626%0.259SS..PPolyproline II helixtrans-74.9158.1172.4-64.8-170.6-18.200110.4R60 Q71 T73 C109Q58-R60 PolarHBondContact O-N 2.97Å; Q58-Q71 PolarHBondContact N-O 2.84Å; Q58-T73 HydrophobicContact CB-CG2 4.37Å; Q58-T73 HydrophobicContact CG-CG2 3.59Å; Q58-C109 CarbonylContact C-O 3.53Å
59R79.1Confident79.3Confident118 Ų11857.5 Ų57.545%0.44529%0.287SS..PPolyproline II helixtrans-59.9132.8172.5-172.1172.4-1771584.3110I61 C109 E110 N111R59-I61 WeakPolarHBondContact O-CG1 3.28Å; R59-I61 PolarHBondContact O-N 3.03Å; R59-C109 WeakPolarHBondContact CA-O 3.49Å; R59-C109 PolarHBondContact N-O 3.06Å; R59-E110 HydrophobicContact CB-CB 4.12Å; R59-N111 HydrophobicContact CG-CB 4.43Å
60R72.4Confident78.5Confident77 Ų7758.3 Ų58.329%0.29129%0.293SS..PPolyproline II helixtrans-58.2125.2173.8-67.4-175.9-177.3-176.4-3109.9T33 Q58 L67 P70T33-R60 PolarHBondContact O-NH2 3.5Å; Q58-R60 PolarHBondContact O-N 2.97Å; R60-L67 HydrophobicContact CB-CD1 3.92Å; R60-L67 HydrophobicContact CB-CG 4.43Å; R60-P70 HydrophobicContact CG-CB 3.92Å; R60-P70 HydrophobicContact CG-CG 4.32Å
61I66.9Low77.8Confident67 Ų6762.5 Ų62.534%0.34431%0.312SS..PPolyproline II helixtrans-100.8134.6177.8-52.5179.7000108R59 D63 Q68R59-I61 WeakPolarHBondContact O-CG1 3.28Å; R59-I61 PolarHBondContact O-N 3.03Å; I61-D63 PolarHBondContact O-N 3.32Å; I61-Q68 PolarHBondContact O-N 3.3Å
62I64Low77.3Confident89 Ų8963.3 Ų63.346%0.45632%0.316SS..EExtended strand (participates in β ladder)trans-85.1100.4165.8-58.3172.7000106.5I66 L67I62-I66 WeakPolarHBondContact CA-O 3.43Å; I62-L67 HydrophobicContact CG1-CD1 3.9Å
63D59Low76.7Confident69 Ų6963.7 Ų63.737%0.36932%0.318SS..EExtended strand (participates in β ladder)trans-99.2123.7172.5-174.321.4000109.2I61 G65 I66 Q68I61-D63 PolarHBondContact O-N 3.32Å; D63-G65 PolarHBondContact O-N 3.14Å; D63-I66 PolarHBondContact N-O 2.76Å; D63-I66 PolarHBondContact O-N 3.37Å; D63-Q68 HydrophobicContact CB-CG 4.21Å; D63-Q68 VanDerWaalsContact CB-NE2 3.26Å; D63-Q68 PolarHBondContact OD2-NE2 3.32Å
64K64.4Low75.7Confident191 Ų19164.4 Ų64.483%0.8332%0.324SS*.THydrogen-bonded Turntrans50.632.8-179.2-62.9166.5-173.3168.90114.3I66K64-I66 VanDerWaalsContact C-N 3.29Å; K64-I66 PolarHBondContact O-N 2.79Å
65G64.8Low75.1Confident68 Ų6866.3 Ų66.370%0.70134%0.335SS*.THydrogen-bonded Turntrans82.30.2-179.500000115D63D63-G65 PolarHBondContact O-N 3.14Å
66I68.6Low74.8Confident121 Ų12166.1 Ų66.162%0.62133%0.334SS*.EExtended strand (participates in β ladder)trans-101125.6175.3-56.3174.5000107.9I62 D63 K64 Q68I62-I66 WeakPolarHBondContact CA-O 3.43Å; D63-I66 PolarHBondContact N-O 2.76Å; D63-I66 PolarHBondContact O-N 3.37Å; K64-I66 VanDerWaalsContact C-N 3.29Å; K64-I66 PolarHBondContact O-N 2.79Å; I66-Q68 PolarHBondContact O-N 3.44Å
67L67.4Low74.5Confident99 Ų9966 Ų6652%0.51833%0.333SS..EExtended strand (participates in β ladder)trans-71.3111.5172.4-169.673.3000108.1R60 I62R60-L67 HydrophobicContact CB-CD1 3.92Å; R60-L67 HydrophobicContact CB-CG 4.43Å; I62-L67 HydrophobicContact CG1-CD1 3.9Å
68Q69.4Low74.4Confident85 Ų8565.8 Ų65.840%0.39733%0.332SS..PPolyproline II helixtrans-76.1152.2176.7-67.3-169.6-3.600111.1I61 D63 I66I61-Q68 PolarHBondContact O-N 3.3Å; D63-Q68 HydrophobicContact CB-CG 4.21Å; D63-Q68 VanDerWaalsContact CB-NE2 3.26Å; D63-Q68 PolarHBondContact OD2-NE2 3.32Å; I66-Q68 PolarHBondContact O-N 3.44Å
69E68.8Low74.9Confident128 Ų12862.5 Ų62.560%0.59832%0.316SS*.PPolyproline II helixtrans-62.5139.5170.9-69.6179.8179.500110.5Q71E69-Q71 PolarHBondContact O-N 2.84Å; E69-Q71 PolarHBondContact O-NE2 3.27Å
70P73.4Confident75.5Confident20 Ų2056.9 Ų56.913%0.1330%0.295CS..PPolyproline II helixtrans-67124.4-179.830.8-34.3000109.6C34 H57 R60C34-P70 HydrophobicContact CB-CB 4.45Å; C34-P70 HydrophobicContact CB-CG 4.16Å; H57-P70 HydrophobicContact CB-CB 3.96Å; R60-P70 HydrophobicContact CG-CB 3.92Å; R60-P70 HydrophobicContact CG-CG 4.32Å
71Q80.7Confident76.4Confident88 Ų8853.2 Ų53.241%0.41128%0.281SS..PPolyproline II helixtrans-84.7143.5-179-61.7-62.1-48.800110.5H57 Q58 E69H57-Q71 CarbonylContact C-O 3.59Å; H57-Q71 WeakPolarHBondContact CA-O 3.48Å; Q58-Q71 PolarHBondContact N-O 2.84Å; E69-Q71 PolarHBondContact O-N 2.84Å; E69-Q71 PolarHBondContact O-NE2 3.27Å
72L84.1Confident77.7Confident16 Ų1650 Ų508%0.08427%0.265CS..BIsolated β-bridgetrans-63.6137.2173.8-73161.3000111I56 H57 W374 Y378 F382I56-L72 HydrophobicContact CG2-CD2 3.95Å; H57-L72 VanDerWaalsContact NE2-CD2 3.29Å; H57-L72 WeakPolarHBondContact NE2-CD2 3.36Å; L72-W374 HydrophobicContact CD2-CB 4.38Å; L72-W374 HydrophobicContact CD2-CE3 4.28Å; L72-Y378 HydrophobicContact CB-CD2 4.24Å; L72-Y378 HydrophobicContact CD2-CD2 4.36Å; L72-F382 HydrophobicContact CB-CE2 3.96Å
73T82.9Confident79.2Confident8 Ų845.8 Ų45.85%0.04924%0.243CC..PPolyproline II helixtrans-91.3135.7177.694.80000110.4P55 I56 Q58 N75 G76 Y378P55-T73 WeakPolarHBondContact O-CB 3.36Å; P55-T73 WeakPolarHBondContact O-CG2 3.35Å; P55-T73 PolarHBondContact O-OG1 2.79Å; I56-T73 PolarHBondContact O-N 2.79Å; Q58-T73 HydrophobicContact CB-CG2 4.37Å; Q58-T73 HydrophobicContact CG-CG2 3.59Å; T73-N75 PolarHBondContact O-N 3.27Å; T73-N75 PolarHBondContact OG1-N 3.22Å; T73-G76 PolarHBondContact O-N 2.88Å; T73-G76 VanDerWaalsContact O-N 3.17Å; T73-G76 PolarHBondContact OG1-N 3.29Å; T73-Y378 VanDerWaalsContact O-CE2 3.25Å; T73-Y378 WeakPolarHBondContact O-CE2 3.31Å
74A75.9Confident80.9Confident15 Ų1542.5 Ų42.512%0.12423%0.226CC..Hα-helixtrans-57.5-25.7176.100000113.3K78 Y378 F382A74-K78 VanDerWaalsContact O-CD 3.27Å; A74-K78 WeakPolarHBondContact O-CD 3.43Å; A74-K78 WeakPolarHBondContact O-CE 3.47Å; A74-K78 WeakPolarHBondContact O-CG 3.27Å; A74-Y378 PolarHBondContact O-OH 3.05Å; A74-F382 HydrophobicContact CB-CE1 3.91Å; A74-F382 HydrophobicContact CB-CZ 4.17Å
75N81.7Confident82.3Confident41 Ų4134.5 Ų34.522%0.21919%0.191CC..Hα-helixtrans-84.8-29.4-178.9-72.7-17000113.2T73 Y77 K78 L79T73-N75 PolarHBondContact O-N 3.27Å; T73-N75 PolarHBondContact OG1-N 3.22Å; N75-Y77 PolarHBondContact O-N 3.13Å; N75-K78 PolarHBondContact O-N 3.34Å; N75-L79 HydrophobicContact CB-CD1 4.1Å; N75-L79 VanDerWaalsContact O-CG 3.25Å; N75-L79 WeakPolarHBondContact O-CG 3.29Å; N75-L79 PolarHBondContact O-N 3.15Å
76G85Confident83.8Confident0 Ų031.3 Ų31.30%016%0.157CC..Hα-helixtrans-54.1-57.7-170.200000113.6P55 T73 K78 L79 L80P55-G76 WeakPolarHBondContact O-CA 3.28Å; T73-G76 PolarHBondContact O-N 2.88Å; T73-G76 VanDerWaalsContact O-N 3.17Å; T73-G76 PolarHBondContact OG1-N 3.29Å; G76-K78 PolarHBondContact O-N 3.04Å; G76-L79 PolarHBondContact O-N 3.45Å; G76-L80 WeakPolarHBondContact O-CB 3.2Å; G76-L80 PolarHBondContact O-N 2.68Å
77Y85.8Confident85.1Confident0 Ų025.5 Ų25.50%013%0.128CC..Hα-helixtrans-61.2-42.8178.3179.5-93.6000112.9N75 L79 L80 E81 L365 T368 W374 T375 Y378 L379 L412N75-Y77 PolarHBondContact O-N 3.13Å; Y77-L79 PolarHBondContact O-N 3.25Å; Y77-L80 PolarHBondContact O-N 3.07Å; Y77-E81 VanDerWaalsContact O-CB 3.3Å; Y77-E81 WeakPolarHBondContact O-CB 3.37Å; Y77-E81 PolarHBondContact O-N 3.33Å; Y77-L365 HydrophobicContact CE1-CD2 4.34Å; Y77-T368 HydrophobicContact CE2-CG2 4.44Å; Y77-T368 WeakPolarHBondContact CE2-OG1 3.38Å; Y77-T368 VanDerWaalsContact CZ-OG1 3.3Å; Y77-T368 PolarHBondContact OH-OG1 2.99Å; Y77-W374 HydrophobicContact CD2-CH2 4.47Å; Y77-W374 HydrophobicContact CD2-CZ3 4.1Å; Y77-T375 HydrophobicContact CE2-CG2 4.48Å; Y77-Y378 VanDerWaalsContact CB-CE2 3.5Å; Y77-Y378 AromaticContact CD1-CD1 3.94Å; Y77-Y378 HydrophobicContact CD1-CD1 3.94Å; Y77-Y378 AromaticContact CD1-CE1 3.49Å; Y77-Y378 HydrophobicContact CD1-CE1 3.49Å; Y77-Y378 VanDerWaalsContact CD1-CE1 3.49Å; Y77-Y378 AromaticContact CD2-CD1 3.74Å; Y77-Y378 HydrophobicContact CD2-CD1 3.74Å; Y77-Y378 HydrophobicContact CD2-CE1 4.12Å; Y77-Y378 HydrophobicContact CD2-CG 4.23Å; Y77-Y378 HydrophobicContact CE1-CE1 4.36Å; Y77-Y378 HydrophobicContact CE2-CD1 4.43Å; Y77-Y378 AromaticContact CG-CD1 3.46Å; Y77-Y378 HydrophobicContact CG-CD1 3.46Å; Y77-Y378 VanDerWaalsContact CG-CD1 3.46Å; Y77-Y378 AromaticContact CG-CE1 3.35Å; Y77-Y378 HydrophobicContact CG-CE1 3.35Å; Y77-Y378 HydrophobicContact CG-CE2 4.48Å; Y77-Y378 HydrophobicContact CG-CG 4.12Å; Y77-Y378 AromaticContact CG-CZ 3.91Å; Y77-L379 HydrophobicContact CE1-CD2 4.19Å; Y77-L379 HydrophobicContact CE2-CD2 4.31Å; Y77-L379 HydrophobicContact CE2-CG 4.46Å; Y77-L412 HydrophobicContact CD1-CD1 4.42Å; Y77-L412 HydrophobicContact CD1-CD2 4.33Å; Y77-L412 HydrophobicContact CE1-CD1 4.02Å
78K85.5Confident86.4Confident8 Ų823.1 Ų23.14%0.03512%0.115CC..Hα-helixtrans-62.6-44.2-177.3-59.2175.4-174.5-153.50111.8A74 N75 G76 E81 A82 Y411 L412A74-K78 VanDerWaalsContact O-CD 3.27Å; A74-K78 WeakPolarHBondContact O-CD 3.43Å; A74-K78 WeakPolarHBondContact O-CE 3.47Å; A74-K78 WeakPolarHBondContact O-CG 3.27Å; N75-K78 PolarHBondContact O-N 3.34Å; G76-K78 PolarHBondContact O-N 3.04Å; K78-E81 PolarHBondContact O-N 3.48Å; K78-A82 WeakPolarHBondContact O-CB 3.47Å; K78-A82 PolarHBondContact O-N 3.24Å; K78-Y411 PolarHBondContact NZ-O 2.88Å; K78-L412 HydrophobicContact CD-CD2 4.42Å; K78-L412 VanDerWaalsContact CD-O 3.3Å; K78-L412 WeakPolarHBondContact CD-O 3.37Å; K78-L412 WeakPolarHBondContact CE-O 3.4Å; K78-L412 HydrophobicContact CG-CD2 3.94Å; K78-L412 PolarHBondContact NZ-O 2.9Å
79L92.3Very high87.5Confident4 Ų421 Ų212%0.02111%0.106CC..Hα-helixtrans-71.7-37.8179.7-62.1175.8000111.3F54 N75 G76 Y77 A82 M83 Y180 Y419 V423F54-L79 HydrophobicContact CD1-CB 3.54Å; F54-L79 VanDerWaalsContact CE1-C 3.45Å; F54-L79 HydrophobicContact CE1-CB 3.8Å; F54-L79 VanDerWaalsContact CE1-O 3.26Å; F54-L79 WeakPolarHBondContact CE1-O 3.48Å; N75-L79 HydrophobicContact CB-CD1 4.1Å; N75-L79 VanDerWaalsContact O-CG 3.25Å; N75-L79 WeakPolarHBondContact O-CG 3.29Å; N75-L79 PolarHBondContact O-N 3.15Å; G76-L79 PolarHBondContact O-N 3.45Å; Y77-L79 PolarHBondContact O-N 3.25Å; L79-A82 WeakPolarHBondContact O-CB 3.34Å; L79-A82 PolarHBondContact O-N 3.24Å; L79-M83 PolarHBondContact O-N 2.92Å; L79-Y180 HydrophobicContact CD1-CD2 4.35Å; L79-Y180 HydrophobicContact CD1-CE2 3.7Å; L79-Y419 VanDerWaalsContact CD2-CB 3.49Å; L79-V423 HydrophobicContact CB-CG2 4.18Å; L79-V423 HydrophobicContact CD2-CG2 3.76Å
80L92.5Very high88.8Confident0 Ų015 Ų150%08%0.078CC..Hα-helixtrans-60.5-48.5172.1-179.3149.6000111.1L42 F54 I56 G76 Y77 A82 M83 L84 I105 T368 W374L42-L80 HydrophobicContact CD1-CD1 4.27Å; L42-L80 HydrophobicContact CD1-CD2 4.15Å; F54-L80 HydrophobicContact CD2-CB 4.32Å; F54-L80 HydrophobicContact CG-CB 4.26Å; I56-L80 HydrophobicContact CD1-CD1 4.04Å; G76-L80 WeakPolarHBondContact O-CB 3.2Å; G76-L80 PolarHBondContact O-N 2.68Å; Y77-L80 PolarHBondContact O-N 3.07Å; L80-A82 VanDerWaalsContact C-N 3.26Å; L80-A82 PolarHBondContact O-N 3.32Å; L80-M83 WeakPolarHBondContact O-CB 3.16Å; L80-M83 PolarHBondContact O-N 3.3Å; L80-L84 HydrophobicContact CD2-CD1 3.74Å; L80-L84 HydrophobicContact CD2-CG 4.15Å; L80-L84 PolarHBondContact O-N 3.34Å; L80-L84 VanDerWaalsContact O-N 3.09Å; L80-I105 HydrophobicContact CD1-CB 4.44Å; L80-I105 HydrophobicContact CD1-CD1 4.15Å; L80-I105 HydrophobicContact CD1-CG2 3.63Å; L80-I105 HydrophobicContact CG-CD1 3.87Å; L80-I105 HydrophobicContact CG-CG2 4.34Å; L80-T368 HydrophobicContact CD2-CG2 4.25Å; L80-W374 HydrophobicContact CD1-CH2 3.83Å; L80-W374 HydrophobicContact CD1-CZ2 3.92Å
81E91Very high89.8Confident0 Ų016.9 Ų16.90%09%0.088CC..Hα-helixtrans-64.7-31.3178.7178.459.3-169.600112Y77 K78 M83 L84 Y85 I363 N364 R367Y77-E81 VanDerWaalsContact O-CB 3.3Å; Y77-E81 WeakPolarHBondContact O-CB 3.37Å; Y77-E81 PolarHBondContact O-N 3.33Å; K78-E81 PolarHBondContact O-N 3.48Å; E81-M83 VanDerWaalsContact C-N 3.32Å; E81-M83 PolarHBondContact O-N 3.2Å; E81-L84 PolarHBondContact O-N 2.97Å; E81-Y85 VanDerWaalsContact O-CB 3.27Å; E81-Y85 WeakPolarHBondContact O-CB 3.41Å; E81-Y85 PolarHBondContact O-N 3.4Å; E81-I363 HydrophobicContact CG-CB 4.33Å; E81-I363 HydrophobicContact CG-CG1 4.14Å; E81-I363 HydrophobicContact CG-CG2 4.03Å; E81-N364 PolarHBondContact OE1-N 3.49Å; E81-R367 IonicContact OE1-CZ 2.65Å; E81-R367 IonicContact OE1-NH1 3.69Å; E81-R367 PolarHBondContact OE1-NH1 2.93Å; E81-R367 IonicContact OE2-NH1 3.71Å; E81-R367 PolarHBondContact OE2-NH1 3.4Å
82A93.8Very high90.4Very high0 Ų017 Ų170%010%0.098CC..Hα-helixtrans-62.1-37.6171.100000112.7K78 L79 L80 A86 V420 V423 V424K78-A82 WeakPolarHBondContact O-CB 3.47Å; K78-A82 PolarHBondContact O-N 3.24Å; L79-A82 WeakPolarHBondContact O-CB 3.34Å; L79-A82 PolarHBondContact O-N 3.24Å; L80-A82 VanDerWaalsContact C-N 3.26Å; L80-A82 PolarHBondContact O-N 3.32Å; A82-A86 WeakPolarHBondContact O-CB 3.38Å; A82-A86 PolarHBondContact O-N 3.26Å; A82-V420 HydrophobicContact CB-CB 4.3Å; A82-V420 HydrophobicContact CB-CG1 3.82Å; A82-V420 HydrophobicContact CB-CG2 4.19Å; A82-V423 HydrophobicContact CB-CB 3.95Å; A82-V423 HydrophobicContact CB-CG1 3.96Å; A82-V424 HydrophobicContact CB-CG2 4.34Å
83M96Very high90.8Very high0 Ų020.6 Ų20.60%011%0.11CC..Hα-helixtrans-67.6-45.4173.9-180177-176.800111.4L50 F54 L79 L80 E81 A86 I87 A103 I105 V155 V423 V427L50-M83 HydrophobicContact CB-CE 3.61Å; L50-M83 HydrophobicContact CD1-CE 4.4Å; F54-M83 HydrophobicContact CE2-CB 4.32Å; F54-M83 HydrophobicContact CE2-SD 3.53Å; F54-M83 VanDerWaalsContact CE2-SD 3.53Å; F54-M83 HydrophobicContact CZ-CB 3.76Å; F54-M83 HydrophobicContact CZ-CG 4.32Å; F54-M83 HydrophobicContact CZ-SD 3.65Å; L79-M83 PolarHBondContact O-N 2.92Å; L80-M83 WeakPolarHBondContact O-CB 3.16Å; L80-M83 PolarHBondContact O-N 3.3Å; E81-M83 VanDerWaalsContact C-N 3.32Å; E81-M83 PolarHBondContact O-N 3.2Å; M83-A86 PolarHBondContact O-N 3.42Å; M83-I87 HydrophobicContact CE-CD1 4.17Å; M83-I87 HydrophobicContact CG-CD1 4.03Å; M83-I87 WeakPolarHBondContact O-CG1 3.49Å; M83-I87 PolarHBondContact O-N 3.2Å; M83-A103 HydrophobicContact CE-CB 3.68Å; M83-A103 HydrophobicContact SD-CB 4.45Å; M83-I105 HydrophobicContact SD-CD1 3.96Å; M83-I105 HydrophobicContact SD-CG1 4.31Å; M83-V155 HydrophobicContact CE-CB 4.37Å; M83-V155 HydrophobicContact CE-CG2 4.48Å; M83-V155 HydrophobicContact SD-CB 4.38Å; M83-V423 HydrophobicContact CB-CG1 3.92Å; M83-V427 HydrophobicContact CB-CG2 4.42Å; M83-V427 HydrophobicContact CG-CG2 3.86Å
84L95.3Very high91.1Very high0 Ų028.8 Ų28.80%015%0.148CC..Hα-helixtrans-63.3-43.2178.1-61.2-173.6000111.8L42 Y44 L80 E81 A86 I87 D88 I105 T368L42-L84 HydrophobicContact CD2-CD2 4.49Å; Y44-L84 HydrophobicContact CD1-CD2 3.85Å; Y44-L84 HydrophobicContact CD2-CD1 4.49Å; Y44-L84 HydrophobicContact CD2-CD2 3.87Å; Y44-L84 HydrophobicContact CE1-CD2 4.29Å; Y44-L84 HydrophobicContact CE2-CD2 4.33Å; Y44-L84 HydrophobicContact CG-CD2 3.61Å; L80-L84 HydrophobicContact CD2-CD1 3.74Å; L80-L84 HydrophobicContact CD2-CG 4.15Å; L80-L84 PolarHBondContact O-N 3.34Å; L80-L84 VanDerWaalsContact O-N 3.09Å; E81-L84 PolarHBondContact O-N 2.97Å; L84-A86 VanDerWaalsContact C-N 3.31Å; L84-A86 PolarHBondContact O-N 2.93Å; L84-I87 PolarHBondContact O-N 3.46Å; L84-D88 PolarHBondContact O-N 2.81Å; L84-I105 HydrophobicContact CD2-CD1 4.08Å; L84-T368 HydrophobicContact CD1-CG2 3.6Å
85Y94.2Very high91.5Very high24 Ų2435.2 Ų35.29%0.09418%0.181CC..Hα-helixtrans-55.5-46.1171.9166.1-90.9000111.6E81 D88 N89 N360 Y361 V424E81-Y85 VanDerWaalsContact O-CB 3.27Å; E81-Y85 WeakPolarHBondContact O-CB 3.41Å; E81-Y85 PolarHBondContact O-N 3.4Å; Y85-D88 PolarHBondContact O-N 3.31Å; Y85-N89 VanDerWaalsContact O-CB 3.31Å; Y85-N89 WeakPolarHBondContact O-CB 3.39Å; Y85-N89 PolarHBondContact O-N 3.07Å; Y85-N360 PolarHBondContact OH-O 3.04Å; Y85-Y361 AromaticContact CD1-CD2 3.57Å; Y85-Y361 HydrophobicContact CD1-CD2 3.57Å; Y85-Y361 AromaticContact CD1-CE2 3.79Å; Y85-Y361 HydrophobicContact CD1-CE2 3.79Å; Y85-Y361 AromaticContact CD2-CD2 3.89Å; Y85-Y361 HydrophobicContact CD2-CD2 3.89Å; Y85-Y361 HydrophobicContact CD2-CE2 4.15Å; Y85-Y361 AromaticContact CE1-CD2 3.74Å; Y85-Y361 HydrophobicContact CE1-CD2 3.74Å; Y85-Y361 HydrophobicContact CE1-CE2 4.42Å; Y85-Y361 HydrophobicContact CE2-CD2 4.05Å; Y85-Y361 AromaticContact CG-CD2 3.66Å; Y85-Y361 HydrophobicContact CG-CD2 3.66Å; Y85-Y361 AromaticContact CG-CE2 3.64Å; Y85-Y361 HydrophobicContact CG-CE2 3.64Å; Y85-Y361 AromaticContact CZ-CD2 3.98Å; Y85-V424 HydrophobicContact CD1-CG2 4.03Å; Y85-V424 HydrophobicContact CE1-CG2 4.39Å
86A95.6Very high91.8Very high0 Ų034.5 Ų34.50%018%0.175CC..Hα-helixtrans-65.9-39.8-179.400000112A82 M83 L84 N89 I90 V424 V427 Y428A82-A86 WeakPolarHBondContact O-CB 3.38Å; A82-A86 PolarHBondContact O-N 3.26Å; M83-A86 PolarHBondContact O-N 3.42Å; L84-A86 VanDerWaalsContact C-N 3.31Å; L84-A86 PolarHBondContact O-N 2.93Å; A86-N89 PolarHBondContact O-N 3.25Å; A86-I90 VanDerWaalsContact O-CG1 3.31Å; A86-I90 WeakPolarHBondContact O-CG1 3.25Å; A86-I90 PolarHBondContact O-N 3.47Å; A86-V424 HydrophobicContact CB-CB 4.33Å; A86-V424 HydrophobicContact CB-CG1 4Å; A86-V424 HydrophobicContact CB-CG2 4.28Å; A86-V427 HydrophobicContact CB-CB 3.65Å; A86-V427 HydrophobicContact CB-CG1 3.74Å; A86-V427 HydrophobicContact CB-CG2 3.99Å; A86-Y428 HydrophobicContact CB-CD1 4.31Å; A86-Y428 HydrophobicContact CB-CE1 3.99Å
87I96Very high91.9Very high0 Ų035.7 Ų35.70%018%0.181CC..Hα-helixtrans-62.2-50.1175.4-72.1169.3000110.7Y44 M83 L84 N89 I90 N91 L101 A103 V427Y44-I87 HydrophobicContact CD1-CG2 4.08Å; Y44-I87 HydrophobicContact CE1-CG2 3.92Å; M83-I87 HydrophobicContact CE-CD1 4.17Å; M83-I87 HydrophobicContact CG-CD1 4.03Å; M83-I87 WeakPolarHBondContact O-CG1 3.49Å; M83-I87 PolarHBondContact O-N 3.2Å; L84-I87 PolarHBondContact O-N 3.46Å; I87-N89 VanDerWaalsContact C-N 3.32Å; I87-N89 PolarHBondContact O-N 2.92Å; I87-I90 PolarHBondContact O-N 2.93Å; I87-N91 WeakPolarHBondContact CG2-ND2 3.35Å; I87-N91 WeakPolarHBondContact O-CB 3.41Å; I87-N91 PolarHBondContact O-N 2.88Å; I87-L101 HydrophobicContact CG2-CB 4.2Å; I87-L101 WeakPolarHBondContact CG2-O 3.32Å; I87-A103 HydrophobicContact CD1-CB 3.67Å; I87-V427 HydrophobicContact CG1-CG1 4.11Å
88D94.4Very high91.9Very high49 Ų4943.2 Ų43.226%0.26222%0.221SC..Hα-helixtrans-61.1-42.6178.7-79.13.8000111.6Y44 L84 Y85 I90 N91 S92 R367Y44-D88 WeakPolarHBondContact CE1-OD1 3.49Å; Y44-D88 PolarHBondContact OH-OD1 3.28Å; Y44-D88 PolarHBondContact OH-OD2 3.27Å; Y44-D88 VanDerWaalsContact OH-OD2 3.12Å; L84-D88 PolarHBondContact O-N 2.81Å; Y85-D88 PolarHBondContact O-N 3.31Å; D88-I90 VanDerWaalsContact C-N 3.32Å; D88-I90 PolarHBondContact O-N 3.06Å; D88-N91 PolarHBondContact O-N 2.96Å; D88-S92 VanDerWaalsContact O-CB 3.27Å; D88-S92 WeakPolarHBondContact O-CB 3.26Å; D88-S92 PolarHBondContact O-N 3.28Å; D88-S92 PolarHBondContact O-OG 3.4Å; D88-R367 IonicContact OD2-CZ 3.04Å; D88-R367 IonicContact OD2-NE 2.67Å; D88-R367 PolarHBondContact OD2-NE 3.4Å; D88-R367 IonicContact OD2-NH2 3.82Å; D88-R367 PolarHBondContact OD2-NH2 2.96Å
89N93.4Very high92Very high39 Ų3944.6 Ų44.621%0.20923%0.228CC..Hα-helixtrans-59.7-44.3176.9-170.5-80.4000111.1Y85 A86 I87 S92 R93 Y428Y85-N89 VanDerWaalsContact O-CB 3.31Å; Y85-N89 WeakPolarHBondContact O-CB 3.39Å; Y85-N89 PolarHBondContact O-N 3.07Å; A86-N89 PolarHBondContact O-N 3.25Å; I87-N89 VanDerWaalsContact C-N 3.32Å; I87-N89 PolarHBondContact O-N 2.92Å; N89-S92 PolarHBondContact O-N 3.12Å; N89-S92 PolarHBondContact O-OG 3.37Å; N89-R93 WeakPolarHBondContact O-CG 3.45Å; N89-R93 PolarHBondContact OD1-NE 2.76Å; N89-R93 VanDerWaalsContact OD1-NE 3.09Å; N89-R93 PolarHBondContact OD1-NH2 3.4Å; N89-Y428 VanDerWaalsContact CG-OH 3.22Å; N89-Y428 PolarHBondContact OD1-OH 3.13Å; N89-Y428 VanDerWaalsContact OD1-OH 3.08Å
90I94.9Very high92Very high2 Ų246.2 Ų46.21%0.0124%0.239CC..Hα-helixtrans-66.2-46.5177.6-69-64.8000111.5A86 I87 D88 S92 R93 Y96 L97 L101 Y428 A431A86-I90 VanDerWaalsContact O-CG1 3.31Å; A86-I90 WeakPolarHBondContact O-CG1 3.25Å; A86-I90 PolarHBondContact O-N 3.47Å; I87-I90 PolarHBondContact O-N 2.93Å; D88-I90 VanDerWaalsContact C-N 3.32Å; D88-I90 PolarHBondContact O-N 3.06Å; I90-S92 PolarHBondContact O-N 3.42Å; I90-R93 PolarHBondContact O-N 2.99Å; I90-R93 VanDerWaalsContact O-N 3.17Å; I90-Y96 HydrophobicContact CD1-CD1 4.28Å; I90-Y96 HydrophobicContact CD1-CE1 3.74Å; I90-Y96 HydrophobicContact CG2-CD1 3.78Å; I90-Y96 HydrophobicContact CG2-CE1 3.91Å; I90-L97 HydrophobicContact CG2-CD1 3.81Å; I90-L101 HydrophobicContact CB-CD1 4.36Å; I90-L101 HydrophobicContact CG2-CD1 3.76Å; I90-L101 HydrophobicContact CG2-CG 4.4Å; I90-Y428 HydrophobicContact CD1-CD1 3.77Å; I90-Y428 HydrophobicContact CD1-CE1 3.88Å; I90-Y428 HydrophobicContact CG1-CD1 3.82Å; I90-Y428 HydrophobicContact CG1-CE1 3.81Å; I90-A431 HydrophobicContact CD1-CB 3.98Å; I90-A431 HydrophobicContact CG1-CB 4.06Å; I90-A431 HydrophobicContact CG2-CB 4.15Å
91N95.3Very high92Very high61 Ų6146.2 Ų46.233%0.32624%0.239SC..Hα-helixtrans-65.9-25.7-179.8-71.2-16000112.6I87 D88 R93 L101I87-N91 WeakPolarHBondContact CG2-ND2 3.35Å; I87-N91 WeakPolarHBondContact O-CB 3.41Å; I87-N91 PolarHBondContact O-N 2.88Å; D88-N91 PolarHBondContact O-N 2.96Å; N91-R93 VanDerWaalsContact C-N 3.34Å; N91-L101 PolarHBondContact ND2-O 3.13Å; N91-L101 PolarHBondContact OD1-N 3.07Å
92S93.3Very high92.2Very high89 Ų8946.2 Ų46.262%0.62224%0.239SC*.THydrogen-bonded Turntrans-76.5-15.6176.174.30000114.3D88 N89 I90 E94D88-S92 VanDerWaalsContact O-CB 3.27Å; D88-S92 WeakPolarHBondContact O-CB 3.26Å; D88-S92 PolarHBondContact O-N 3.28Å; D88-S92 PolarHBondContact O-OG 3.4Å; N89-S92 PolarHBondContact O-N 3.12Å; N89-S92 PolarHBondContact O-OG 3.37Å; I90-S92 PolarHBondContact O-N 3.42Å; S92-E94 PolarHBondContact O-N 3.46Å
93R93Very high92.1Very high92 Ų9246.2 Ų46.235%0.34724%0.239SC..SBendtrans-80.6116.5-179.4-67.3173.6-167.8-155.32.6110.3N89 I90 N91 N95 Y96N89-R93 WeakPolarHBondContact O-CG 3.45Å; N89-R93 PolarHBondContact OD1-NE 2.76Å; N89-R93 VanDerWaalsContact OD1-NE 3.09Å; N89-R93 PolarHBondContact OD1-NH2 3.4Å; I90-R93 PolarHBondContact O-N 2.99Å; I90-R93 VanDerWaalsContact O-N 3.17Å; N91-R93 VanDerWaalsContact C-N 3.34Å; R93-N95 PolarHBondContact O-N 2.83Å; R93-Y96 HydrophobicContact CB-CG 4.18Å; R93-Y96 WeakPolarHBondContact O-CB 3.49Å; R93-Y96 PolarHBondContact O-N 3.49Å
94E88.5Confident92Very high181 Ų18146.3 Ų46.385%0.84624%0.24SC*.THydrogen-bonded Turntrans-56.2132.2177.5-67-171.8173.300112.3S92 Y96S92-E94 PolarHBondContact O-N 3.46Å; E94-Y96 PolarHBondContact O-N 2.94Å
95N83.1Confident91.8Very high150 Ų15046.4 Ų46.480%0.80224%0.24SC*.THydrogen-bonded Turntrans52.923.4177.2-58.7-37.2000114.9R93R93-N95 PolarHBondContact O-N 2.83Å
96Y87.9Confident91.7Very high25 Ų2545.3 Ų45.310%0.09824%0.236CC..SBendtrans-76.9-48.3179-177.1-93.9000111.9I90 R93 E94 A431 N432 K435I90-Y96 HydrophobicContact CD1-CD1 4.28Å; I90-Y96 HydrophobicContact CD1-CE1 3.74Å; I90-Y96 HydrophobicContact CG2-CD1 3.78Å; I90-Y96 HydrophobicContact CG2-CE1 3.91Å; R93-Y96 HydrophobicContact CB-CG 4.18Å; R93-Y96 WeakPolarHBondContact O-CB 3.49Å; R93-Y96 PolarHBondContact O-N 3.49Å; E94-Y96 PolarHBondContact O-N 2.94Å; Y96-A431 HydrophobicContact CE1-CB 4.17Å; Y96-N432 PolarHBondContact OH-ND2 2.98Å; Y96-N432 PolarHBondContact OH-OD1 3.29Å; Y96-K435 HydrophobicContact CD2-CD 4.37Å; Y96-K435 HydrophobicContact CE2-CD 3.99Å
97L88Confident91.5Very high26 Ų2646 Ų4614%0.13624%0.24CC..  trans-128.3145.2169.5-70.9169.8000108.5I90 F99 L101 A431 K435I90-L97 HydrophobicContact CG2-CD1 3.81Å; L97-F99 HydrophobicContact CB-CE2 4.39Å; L97-F99 HydrophobicContact CB-CZ 4.47Å; L97-F99 WeakPolarHBondContact CB-O 3.29Å; L97-F99 HydrophobicContact CD1-CE2 4.06Å; L97-F99 HydrophobicContact CD1-CZ 4.44Å; L97-F99 HydrophobicContact CD2-CE1 4.37Å; L97-F99 HydrophobicContact CD2-CE2 4.31Å; L97-F99 HydrophobicContact CD2-CZ 3.86Å; L97-F99 HydrophobicContact CG-CE2 4.48Å; L97-F99 HydrophobicContact CG-CZ 4.48Å; L97-F99 PolarHBondContact O-N 3.21Å; L97-L101 HydrophobicContact CD1-CD1 3.97Å; L97-L101 HydrophobicContact CD1-CD2 4.08Å; L97-L101 HydrophobicContact CD1-CG 3.88Å; L97-A431 HydrophobicContact CD1-CB 4.41Å; L97-K435 HydrophobicContact CD2-CB 3.82Å
98N86.3Confident91.3Very high157 Ų15746 Ų4684%0.8424%0.24SC*.SBendtrans-79.710.2178.4-66.4-15.1000113.3
99F87.6Confident91Very high38 Ų3843.9 Ų43.917%0.16723%0.229CC..SBendtrans-153.4155.6-175.354-99.1000108.6D47 V48 L97 L101 L434 F438D47-F99 HydrophobicContact CB-CB 3.93Å; V48-F99 HydrophobicContact CB-CD2 3.89Å; V48-F99 HydrophobicContact CB-CE2 3.94Å; V48-F99 HydrophobicContact CG1-CE2 4.41Å; V48-F99 HydrophobicContact CG2-CD2 3.37Å; V48-F99 HydrophobicContact CG2-CE2 3.56Å; V48-F99 HydrophobicContact CG2-CG 3.98Å; V48-F99 HydrophobicContact CG2-CZ 4.28Å; L97-F99 HydrophobicContact CB-CE2 4.39Å; L97-F99 HydrophobicContact CB-CZ 4.47Å; L97-F99 WeakPolarHBondContact CB-O 3.29Å; L97-F99 HydrophobicContact CD1-CE2 4.06Å; L97-F99 HydrophobicContact CD1-CZ 4.44Å; L97-F99 HydrophobicContact CD2-CE1 4.37Å; L97-F99 HydrophobicContact CD2-CE2 4.31Å; L97-F99 HydrophobicContact CD2-CZ 3.86Å; L97-F99 HydrophobicContact CG-CE2 4.48Å; L97-F99 HydrophobicContact CG-CZ 4.48Å; L97-F99 PolarHBondContact O-N 3.21Å; F99-L101 HydrophobicContact CD2-CD2 4.39Å; F99-L101 HydrophobicContact CE2-CD2 3.9Å; F99-L434 HydrophobicContact CZ-CB 4.43Å; F99-F438 AromaticContact CE1-CD2 3.42Å; F99-F438 HydrophobicContact CE1-CD2 3.42Å; F99-F438 VanDerWaalsContact CE1-CD2 3.42Å; F99-F438 AromaticContact CE1-CE2 3.46Å; F99-F438 HydrophobicContact CE1-CE2 3.46Å; F99-F438 VanDerWaalsContact CE1-CE2 3.46Å; F99-F438 HydrophobicContact CE1-CG 4.05Å; F99-F438 HydrophobicContact CE1-CZ 4.1Å; F99-F438 AromaticContact CZ-CD2 3.55Å; F99-F438 HydrophobicContact CZ-CD2 3.55Å; F99-F438 AromaticContact CZ-CE2 3.37Å; F99-F438 HydrophobicContact CZ-CE2 3.37Å; F99-F438 HydrophobicContact CZ-CZ 4.29Å
100S91.3Very high90.7Very high38 Ų3844.2 Ų44.227%0.26623%0.229SC..  trans-83.6137.9176.757.40000111.3G46 D47 V48G46-S100 WeakPolarHBondContact CA-OG 3.43Å; D47-S100 VanDerWaalsContact CG-OG 3.26Å; D47-S100 PolarHBondContact N-O 2.85Å; D47-S100 PolarHBondContact N-OG 2.69Å; D47-S100 PolarHBondContact OD2-N 3.22Å; D47-S100 PolarHBondContact OD2-OG 3.36Å; V48-S100 PolarHBondContact N-O 3.39Å
101L93.8Very high90.3Very high0 Ų045.9 Ų45.90%024%0.238CC..EExtended strand (participates in β ladder)trans-80.9138.8166.8-63.7-178.1000109.4V48 I87 I90 N91 L97 F99 A431 L434V48-L101 HydrophobicContact CB-CD2 4.2Å; V48-L101 HydrophobicContact CG1-CD2 4.3Å; V48-L101 WeakPolarHBondContact O-CA 3.19Å; I87-L101 HydrophobicContact CG2-CB 4.2Å; I87-L101 WeakPolarHBondContact CG2-O 3.32Å; I90-L101 HydrophobicContact CB-CD1 4.36Å; I90-L101 HydrophobicContact CG2-CD1 3.76Å; I90-L101 HydrophobicContact CG2-CG 4.4Å; N91-L101 PolarHBondContact ND2-O 3.13Å; N91-L101 PolarHBondContact OD1-N 3.07Å; L97-L101 HydrophobicContact CD1-CD1 3.97Å; L97-L101 HydrophobicContact CD1-CD2 4.08Å; L97-L101 HydrophobicContact CD1-CG 3.88Å; F99-L101 HydrophobicContact CD2-CD2 4.39Å; F99-L101 HydrophobicContact CE2-CD2 3.9Å; L101-A431 HydrophobicContact CD1-CB 3.89Å; L101-L434 HydrophobicContact CD2-CD1 4.03Å
102G93.6Very high90Very high0 Ų043.9 Ų43.90%023%0.228CC..EExtended strand (participates in β ladder)trans-126.9179.917000000110.9Y44 V48 L50Y44-G102 CarbonylContact O-C 3.49Å; Y44-G102 WeakPolarHBondContact O-CA 3.28Å; V48-G102 PolarHBondContact O-N 3.15Å; L50-G102 PolarHBondContact N-O 3.45Å
103A93.6Very high89.9Confident0 Ų044.9 Ų44.90%023%0.227CC..EExtended strand (participates in β ladder)trans-138.2147178.100000112.2Y44 L50 M83 I87 I105Y44-A103 PolarHBondContact N-O 3.39Å; Y44-A103 PolarHBondContact O-N 3.4Å; L50-A103 CarbonylContact O-C 3.5Å; L50-A103 VanDerWaalsContact O-CA 3.23Å; L50-A103 WeakPolarHBondContact O-CA 3.49Å; M83-A103 HydrophobicContact CE-CB 3.68Å; M83-A103 HydrophobicContact SD-CB 4.45Å; I87-A103 HydrophobicContact CD1-CB 3.67Å; A103-I105 HydrophobicContact CB-CD1 4.06Å; A103-I105 HydrophobicContact CB-CG1 3.82Å
104L91.9Very high89.7Confident2 Ų241.2 Ų41.21%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-120110.9163.917863.7000107.4Y41 L50 G51 G52 F106 F122 F125Y41-L104 HydrophobicContact CD2-CD1 3.63Å; Y41-L104 HydrophobicContact CE2-CD1 4.33Å; Y41-L104 HydrophobicContact CG-CD1 4.3Å; L50-L104 PolarHBondContact O-N 3.23Å; G51-L104 CarbonylContact C-O 3.5Å; G51-L104 WeakPolarHBondContact CA-O 3.37Å; G52-L104 PolarHBondContact N-O 3.23Å; L104-F106 HydrophobicContact CD1-CE2 4.11Å; L104-F106 HydrophobicContact CD1-CZ 4.17Å; L104-F106 HydrophobicContact CD2-CE2 3.64Å; L104-F106 HydrophobicContact CD2-CZ 4.04Å; L104-F106 HydrophobicContact CG-CD2 4.33Å; L104-F106 HydrophobicContact CG-CE2 3.53Å; L104-F106 HydrophobicContact CG-CZ 4.05Å; L104-F122 HydrophobicContact CD2-CD1 4.1Å; L104-F122 HydrophobicContact CD2-CE1 4.47Å; L104-F122 HydrophobicContact CG-CE1 4.43Å; L104-F122 WeakPolarHBondContact O-CE1 3.35Å; L104-F125 HydrophobicContact CD1-CD2 4.24Å; L104-F125 HydrophobicContact CD1-CE1 4.44Å; L104-F125 HydrophobicContact CD1-CE2 3.37Å; L104-F125 HydrophobicContact CD1-CZ 3.49Å; L104-F125 VanDerWaalsContact CD1-CZ 3.49Å; L104-F125 HydrophobicContact CD2-CD2 3.3Å; L104-F125 HydrophobicContact CD2-CE2 3.35Å; L104-F125 HydrophobicContact CD2-CG 3.98Å; L104-F125 HydrophobicContact CD2-CZ 4.04Å; L104-F125 HydrophobicContact CG-CD2 4.4Å; L104-F125 HydrophobicContact CG-CE2 3.98Å; L104-F125 HydrophobicContact CG-CZ 4.41Å
105I92.3Very high89.8Confident2 Ų232.6 Ų32.61%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-114.2129.6-168.4-54.8-174.7000110.5Y41 L42 G52 F54 L80 M83 L84 A103Y41-I105 WeakPolarHBondContact CA-O 3.48Å; L42-I105 HydrophobicContact CB-CB 4.23Å; L42-I105 HydrophobicContact CD2-CD1 4.14Å; L42-I105 HydrophobicContact CD2-CG1 4.41Å; L42-I105 PolarHBondContact N-O 3.49Å; L42-I105 PolarHBondContact O-N 3.27Å; G52-I105 WeakPolarHBondContact O-CA 3.24Å; F54-I105 HydrophobicContact CD2-CG2 3.51Å; F54-I105 HydrophobicContact CE2-CD1 4.23Å; F54-I105 HydrophobicContact CE2-CG2 4Å; L80-I105 HydrophobicContact CD1-CB 4.44Å; L80-I105 HydrophobicContact CD1-CD1 4.15Å; L80-I105 HydrophobicContact CD1-CG2 3.63Å; L80-I105 HydrophobicContact CG-CD1 3.87Å; L80-I105 HydrophobicContact CG-CG2 4.34Å; M83-I105 HydrophobicContact SD-CD1 3.96Å; M83-I105 HydrophobicContact SD-CG1 4.31Å; L84-I105 HydrophobicContact CD2-CD1 4.08Å; A103-I105 HydrophobicContact CB-CD1 4.06Å; A103-I105 HydrophobicContact CB-CG1 3.82Å
106F91.8Very high90.2Very high1 Ų129 Ų290%0.00415%0.151CC..EExtended strand (participates in β ladder)trans-120.9151.7175.3-65.9-88.2000111.8Y41 G52 L53 F54 L104 Q118 H121 F122 F125Y41-F106 HydrophobicContact CD1-CE1 4.43Å; Y41-F106 HydrophobicContact CG-CE1 4.13Å; Y41-F106 HydrophobicContact CG-CZ 4.43Å; G52-F106 PolarHBondContact O-N 3.09Å; L53-F106 HydrophobicContact CD2-CB 4.21Å; F54-F106 PolarHBondContact N-O 3.22Å; L104-F106 HydrophobicContact CD1-CE2 4.11Å; L104-F106 HydrophobicContact CD1-CZ 4.17Å; L104-F106 HydrophobicContact CD2-CE2 3.64Å; L104-F106 HydrophobicContact CD2-CZ 4.04Å; L104-F106 HydrophobicContact CG-CD2 4.33Å; L104-F106 HydrophobicContact CG-CE2 3.53Å; L104-F106 HydrophobicContact CG-CZ 4.05Å; F106-Q118 HydrophobicContact CB-CB 3.68Å; F106-Q118 HydrophobicContact CB-CG 3.86Å; F106-Q118 HydrophobicContact CD1-CB 4.38Å; F106-Q118 HydrophobicContact CD1-CG 4.44Å; F106-Q118 HydrophobicContact CG-CB 4.02Å; F106-Q118 HydrophobicContact CG-CG 4.39Å; F106-H121 HydrophobicContact CE1-CB 3.84Å; F106-H121 AromaticContact CE1-CD2 3.97Å; F106-H121 HydrophobicContact CE2-CB 3.82Å; F106-H121 HydrophobicContact CZ-CB 3.31Å; F106-F122 HydrophobicContact CD2-CD1 4.06Å; F106-F122 AromaticContact CD2-CE1 3.36Å; F106-F122 HydrophobicContact CD2-CE1 3.36Å; F106-F122 AromaticContact CD2-CZ 3.85Å; F106-F122 HydrophobicContact CD2-CZ 3.85Å; F106-F122 AromaticContact CE2-CD1 3.78Å; F106-F122 HydrophobicContact CE2-CD1 3.78Å; F106-F122 AromaticContact CE2-CE1 3.53Å; F106-F122 HydrophobicContact CE2-CE1 3.53Å; F106-F122 HydrophobicContact CE2-CZ 4.41Å; F106-F125 HydrophobicContact CZ-CE2 4.35Å
107D91.5Very high90.2Very high14 Ų1431.4 Ų31.48%0.07516%0.164CC..EExtended strand (participates in β ladder)trans-80126.4171.9-171.27.7000111.6F54 I56 H57 C109 N114 Q118F54-D107 WeakPolarHBondContact O-CA 3.42Å; F54-D107 VanDerWaalsContact O-OD1 3.13Å; I56-D107 WeakPolarHBondContact CA-OD1 3.13Å; I56-D107 HydrophobicContact CB-CB 4.05Å; I56-D107 VanDerWaalsContact CB-CG 3.45Å; I56-D107 WeakPolarHBondContact CB-OD1 3.45Å; I56-D107 HydrophobicContact CD1-CB 3.95Å; I56-D107 HydrophobicContact CG1-CB 4.06Å; I56-D107 PolarHBondContact N-OD1 3.21Å; H57-D107 WeakPolarHBondContact CB-OD2 3.47Å; H57-D107 IonicContact CE1-OD2 3.99Å; H57-D107 IonicContact CG-OD2 3.75Å; H57-D107 PolarHBondContact N-OD1 2.9Å; H57-D107 PolarHBondContact N-OD2 3.1Å; H57-D107 VanDerWaalsContact N-OD2 3.08Å; H57-D107 IonicContact ND1-OD2 2.69Å; H57-D107 PolarHBondContact ND1-OD2 3.35Å; D107-C109 VanDerWaalsContact C-N 3.33Å; D107-C109 VanDerWaalsContact CG-SG 3.54Å; D107-C109 PolarHBondContact OD1-N 3.24Å; D107-C109 PolarHBondContact OD2-SG 3.13Å; D107-N114 PolarHBondContact O-ND2 3.38Å; D107-Q118 WeakPolarHBondContact O-CG 3.44Å
108T91.5Very high90.3Very high0 Ų030.6 Ų30.60%016%0.159CC..  trans-78.5-19173.560.60000112.7L53 F54 P55 E110 N111 N114 A115 V162L53-T108 HydrophobicContact CB-CG2 3.7Å; L53-T108 HydrophobicContact CD2-CG2 4.16Å; L53-T108 HydrophobicContact CG-CG2 4.41Å; F54-T108 PolarHBondContact O-N 3.14Å; F54-T108 PolarHBondContact O-OG1 2.86Å; F54-T108 VanDerWaalsContact O-OG1 3.13Å; P55-T108 WeakPolarHBondContact CA-OG1 3.13Å; T108-E110 PolarHBondContact O-N 2.96Å; T108-E110 VanDerWaalsContact O-N 3.11Å; T108-N111 PolarHBondContact O-N 3.44Å; T108-N114 PolarHBondContact O-ND2 3.14Å; T108-A115 HydrophobicContact CG2-CB 4.02Å; T108-V162 HydrophobicContact CG2-CG1 4.01Å
109C88.6Confident90.5Very high5 Ų523.1 Ų23.13%0.03412%0.119CC..THydrogen-bonded Turntrans52.926.5-174.4-53.40000113.1C34 H57 Q58 R59 D107 N111 N114C34-C109 VanDerWaalsContact CA-SG 3.51Å; C34-C109 HydrophobicContact CB-CB 3.73Å; C34-C109 WeakPolarHBondContact CB-SG 3.48Å; C34-C109 WeakPolarHBondContact SG-CB 3.29Å; C34-C109 CovalentContact SG-SG 2.02Å; C34-C109 PolarHBondContact SG-SG 3.42Å; H57-C109 CarbonylContact O-C 3.27Å; H57-C109 VanDerWaalsContact O-C 3.27Å; H57-C109 VanDerWaalsContact O-CA 3.24Å; H57-C109 WeakPolarHBondContact O-CA 3.27Å; Q58-C109 CarbonylContact C-O 3.53Å; R59-C109 WeakPolarHBondContact CA-O 3.49Å; R59-C109 PolarHBondContact N-O 3.06Å; D107-C109 VanDerWaalsContact C-N 3.33Å; D107-C109 VanDerWaalsContact CG-SG 3.54Å; D107-C109 PolarHBondContact OD1-N 3.24Å; D107-C109 PolarHBondContact OD2-SG 3.13Å; C109-N111 PolarHBondContact O-N 3.45Å; C109-N114 PolarHBondContact SG-ND2 3.29Å
110E86.6Confident90.4Very high46 Ų4623.9 Ų23.922%0.21513%0.125CC..THydrogen-bonded Turntrans47.533.1-172-64.5-168.8139.900113.5P55 R59 T108 Q159P55-E110 HydrophobicContact CB-CG 3.62Å; R59-E110 HydrophobicContact CB-CB 4.12Å; T108-E110 PolarHBondContact O-N 2.96Å; T108-E110 VanDerWaalsContact O-N 3.11Å; E110-Q159 VanDerWaalsContact CG-NE2 3.35Å; E110-Q159 PolarHBondContact OE1-NE2 3.38Å; E110-Q159 PolarHBondContact OE2-NE2 3.2Å
111N87.3Confident90Very high36 Ų3624.1 Ų24.119%0.19312%0.122CC..  trans-128121.1-177.1-175.8-16.4000110.3R59 T108 C109 D113 N114 A115R59-N111 HydrophobicContact CG-CB 4.43Å; T108-N111 PolarHBondContact O-N 3.44Å; C109-N111 PolarHBondContact O-N 3.45Å; N111-D113 VanDerWaalsContact C-N 3.26Å; N111-D113 PolarHBondContact O-N 3.05Å; N111-D113 PolarHBondContact OD1-N 2.74Å; N111-N114 HydrophobicContact CB-CB 4.08Å; N111-N114 PolarHBondContact O-N 3.11Å; N111-A115 WeakPolarHBondContact O-CB 3.33Å; N111-A115 PolarHBondContact O-N 3.49Å
112P89.4Confident89.6Confident20 Ų2024.2 Ų24.213%0.1312%0.122CC..Hα-helixtrans-56.4-34.6177.7-25.834.5000114.8F116 D161 V162 S165P112-F116 WeakPolarHBondContact O-CB 3.16Å; P112-F116 PolarHBondContact O-N 3.33Å; P112-D161 HydrophobicContact CG-CB 3.83Å; P112-D161 WeakPolarHBondContact CG-OD2 3.32Å; P112-V162 HydrophobicContact CG-CG2 4.27Å; P112-S165 PolarHBondContact O-OG 3.42Å
113D89.5Confident88.7Confident110 Ų11026.8 Ų26.859%0.58814%0.135SC*.Hα-helixtrans-72.6-47.2-178.5-58.9-37.6000110.5N111 F116 M117N111-D113 VanDerWaalsContact C-N 3.26Å; N111-D113 PolarHBondContact O-N 3.05Å; N111-D113 PolarHBondContact OD1-N 2.74Å; D113-F116 WeakPolarHBondContact O-CB 3.2Å; D113-F116 PolarHBondContact O-N 3Å; D113-M117 WeakPolarHBondContact O-CG 3.33Å; D113-M117 PolarHBondContact O-N 3.1Å
114N88.8Confident87.3Confident15 Ų1530.6 Ų30.68%0.0816%0.158CC..Hα-helixtrans-63.6-44.4175.3178.664.3000110.8D107 T108 C109 N111 F116 M117 Q118D107-N114 PolarHBondContact O-ND2 3.38Å; T108-N114 PolarHBondContact O-ND2 3.14Å; C109-N114 PolarHBondContact SG-ND2 3.29Å; N111-N114 HydrophobicContact CB-CB 4.08Å; N111-N114 PolarHBondContact O-N 3.11Å; N114-F116 VanDerWaalsContact C-N 3.27Å; N114-F116 PolarHBondContact O-N 2.9Å; N114-M117 WeakPolarHBondContact O-CB 3.28Å; N114-M117 PolarHBondContact O-N 3.17Å; N114-M117 VanDerWaalsContact O-N 3.1Å; N114-Q118 VanDerWaalsContact O-CG 3.28Å; N114-Q118 WeakPolarHBondContact O-CG 3.09Å; N114-Q118 PolarHBondContact O-N 2.94Å; N114-Q118 PolarHBondContact OD1-NE2 3.03Å
115A91.6Very high85.5Confident0 Ų030.7 Ų30.70%016%0.159CC..Hα-helixtrans-61.1-36.1176.600000112.9T108 N111 T119 V162 V166T108-A115 HydrophobicContact CG2-CB 4.02Å; N111-A115 WeakPolarHBondContact O-CB 3.33Å; N111-A115 PolarHBondContact O-N 3.49Å; A115-T119 WeakPolarHBondContact O-CB 3.3Å; A115-T119 PolarHBondContact O-N 3.25Å; A115-T119 PolarHBondContact O-OG1 3.13Å; A115-V162 HydrophobicContact CB-CG1 3.59Å; A115-V166 HydrophobicContact CB-CG2 3.93Å
116F91.6Very high83.4Confident75 Ų7534.6 Ų34.633%0.32918%0.18SC..Hα-helixtrans-61.4-48.6171.8-178.1-90.9000111P112 D113 N114 Q118 T119 L120 M169P112-F116 WeakPolarHBondContact O-CB 3.16Å; P112-F116 PolarHBondContact O-N 3.33Å; D113-F116 WeakPolarHBondContact O-CB 3.2Å; D113-F116 PolarHBondContact O-N 3Å; N114-F116 VanDerWaalsContact C-N 3.27Å; N114-F116 PolarHBondContact O-N 2.9Å; F116-Q118 PolarHBondContact O-N 2.97Å; F116-T119 VanDerWaalsContact O-CB 3.28Å; F116-T119 WeakPolarHBondContact O-CB 3.44Å; F116-T119 PolarHBondContact O-N 3.39Å; F116-T119 VanDerWaalsContact O-N 3.11Å; F116-L120 HydrophobicContact CE1-CD1 4.43Å; F116-L120 PolarHBondContact O-N 3.49Å; F116-M169 HydrophobicContact CD2-CB 4.17Å; F116-M169 HydrophobicContact CE2-CB 3.83Å; F116-M169 HydrophobicContact CE2-CG 4.18Å; F116-M169 HydrophobicContact CE2-SD 4.02Å; F116-M169 HydrophobicContact CZ-SD 4Å
117M88.4Confident81.1Confident74 Ų7439.8 Ų39.837%0.36521%0.207SC..Hα-helixtrans-60-45.1176.7-69.5-58.5-6500112D113 N114 T119 L120D113-M117 WeakPolarHBondContact O-CG 3.33Å; D113-M117 PolarHBondContact O-N 3.1Å; N114-M117 WeakPolarHBondContact O-CB 3.28Å; N114-M117 PolarHBondContact O-N 3.17Å; N114-M117 VanDerWaalsContact O-N 3.1Å; M117-T119 PolarHBondContact O-N 3.47Å; M117-L120 HydrophobicContact CE-CD1 4.21Å; M117-L120 VanDerWaalsContact O-CB 3.29Å; M117-L120 WeakPolarHBondContact O-CB 3.32Å; M117-L120 PolarHBondContact O-N 3.18Å; M117-L120 HydrophobicContact SD-CD1 3.91Å
118Q88.8Confident79Confident9 Ų941.1 Ų41.14%0.04222%0.215CC..Hα-helixtrans-61.1-32.6175.8-61-39.3-37.500112.8L53 F106 D107 N114 F116 L120 H121L53-Q118 HydrophobicContact CD2-CB 4.22Å; F106-Q118 HydrophobicContact CB-CB 3.68Å; F106-Q118 HydrophobicContact CB-CG 3.86Å; F106-Q118 HydrophobicContact CD1-CB 4.38Å; F106-Q118 HydrophobicContact CD1-CG 4.44Å; F106-Q118 HydrophobicContact CG-CB 4.02Å; F106-Q118 HydrophobicContact CG-CG 4.39Å; D107-Q118 WeakPolarHBondContact O-CG 3.44Å; N114-Q118 VanDerWaalsContact O-CG 3.28Å; N114-Q118 WeakPolarHBondContact O-CG 3.09Å; N114-Q118 PolarHBondContact O-N 2.94Å; N114-Q118 PolarHBondContact OD1-NE2 3.03Å; F116-Q118 PolarHBondContact O-N 2.97Å; Q118-L120 PolarHBondContact O-N 3.03Å; Q118-H121 PolarHBondContact O-N 3.46Å; Q118-H121 PolarHBondContact OE1-CD2 2.93Å
119T90Very high76.7Confident0 Ų044.8 Ų44.80%023%0.234CC..Hα-helixtrans-65.4-28.4176-59.30000112.3A115 F116 M117 H121 F122 V166 M169 L170A115-T119 WeakPolarHBondContact O-CB 3.3Å; A115-T119 PolarHBondContact O-N 3.25Å; A115-T119 PolarHBondContact O-OG1 3.13Å; F116-T119 VanDerWaalsContact O-CB 3.28Å; F116-T119 WeakPolarHBondContact O-CB 3.44Å; F116-T119 PolarHBondContact O-N 3.39Å; F116-T119 VanDerWaalsContact O-N 3.11Å; M117-T119 PolarHBondContact O-N 3.47Å; T119-H121 VanDerWaalsContact C-N 3.29Å; T119-H121 PolarHBondContact O-N 3.43Å; T119-F122 HydrophobicContact CG2-CD2 4.2Å; T119-F122 WeakPolarHBondContact O-CB 3.44Å; T119-F122 PolarHBondContact O-N 2.73Å; T119-V166 HydrophobicContact CG2-CG1 4.35Å; T119-M169 HydrophobicContact CG2-CB 4.16Å; T119-M169 HydrophobicContact CG2-CG 3.94Å; T119-L170 HydrophobicContact CG2-CD2 3.5Å; T119-L170 HydrophobicContact CG2-CG 3.92Å
120L86.4Confident74.5Confident54 Ų5450.9 Ų50.928%0.28326%0.262SS..Hα-helixtrans-65.1-33.6175.4-60.8178.2000112.1F116 M117 Q118 F122 I123 V124 M169F116-L120 HydrophobicContact CE1-CD1 4.43Å; F116-L120 PolarHBondContact O-N 3.49Å; M117-L120 HydrophobicContact CE-CD1 4.21Å; M117-L120 VanDerWaalsContact O-CB 3.29Å; M117-L120 WeakPolarHBondContact O-CB 3.32Å; M117-L120 PolarHBondContact O-N 3.18Å; M117-L120 HydrophobicContact SD-CD1 3.91Å; Q118-L120 PolarHBondContact O-N 3.03Å; L120-F122 PolarHBondContact O-N 3.17Å; L120-I123 HydrophobicContact CD2-CD1 4.27Å; L120-I123 WeakPolarHBondContact O-CB 3.36Å; L120-I123 PolarHBondContact O-N 3.07Å; L120-V124 PolarHBondContact O-N 3.27Å; L120-M169 HydrophobicContact CD2-CE 3.47Å; L120-M169 VanDerWaalsContact CD2-CE 3.47Å; L120-M169 HydrophobicContact CD2-SD 4.21Å
121H83.5Confident72.2Confident44 Ų4453.4 Ų53.420%0.20428%0.277CS..Hα-helixtrans-67-18177.7-67.7-65.7000113.3S39 F106 Q118 T119 I123S39-H121 PolarHBondContact OG-NE2 2.81Å; S39-H121 VanDerWaalsContact OG-NE2 3.08Å; F106-H121 HydrophobicContact CE1-CB 3.84Å; F106-H121 AromaticContact CE1-CD2 3.97Å; F106-H121 HydrophobicContact CE2-CB 3.82Å; F106-H121 HydrophobicContact CZ-CB 3.31Å; Q118-H121 PolarHBondContact O-N 3.46Å; Q118-H121 PolarHBondContact OE1-CD2 2.93Å; T119-H121 VanDerWaalsContact C-N 3.29Å; T119-H121 PolarHBondContact O-N 3.43Å; H121-I123 PolarHBondContact O-N 3.05Å
122F85.4Confident70.1Confident1 Ų154.8 Ų54.80%0.00428%0.284CS..THydrogen-bonded Turntrans-69.6-13.5170.7-62-35.2000113.8L53 L104 F106 T119 L120 V151 V154L53-F122 HydrophobicContact CD1-CE2 4.1Å; L53-F122 HydrophobicContact CD2-CE2 3.88Å; L53-F122 HydrophobicContact CD2-CZ 3.78Å; L53-F122 HydrophobicContact CG-CE2 3.86Å; L53-F122 HydrophobicContact CG-CZ 3.92Å; L104-F122 HydrophobicContact CD2-CD1 4.1Å; L104-F122 HydrophobicContact CD2-CE1 4.47Å; L104-F122 HydrophobicContact CG-CE1 4.43Å; L104-F122 WeakPolarHBondContact O-CE1 3.35Å; F106-F122 HydrophobicContact CD2-CD1 4.06Å; F106-F122 AromaticContact CD2-CE1 3.36Å; F106-F122 HydrophobicContact CD2-CE1 3.36Å; F106-F122 AromaticContact CD2-CZ 3.85Å; F106-F122 HydrophobicContact CD2-CZ 3.85Å; F106-F122 AromaticContact CE2-CD1 3.78Å; F106-F122 HydrophobicContact CE2-CD1 3.78Å; F106-F122 AromaticContact CE2-CE1 3.53Å; F106-F122 HydrophobicContact CE2-CE1 3.53Å; F106-F122 HydrophobicContact CE2-CZ 4.41Å; T119-F122 HydrophobicContact CG2-CD2 4.2Å; T119-F122 WeakPolarHBondContact O-CB 3.44Å; T119-F122 PolarHBondContact O-N 2.73Å; L120-F122 PolarHBondContact O-N 3.17Å; F122-V151 HydrophobicContact CB-CB 4.08Å; F122-V151 HydrophobicContact CB-CG2 3.97Å; F122-V151 HydrophobicContact CD1-CB 4.39Å; F122-V151 HydrophobicContact CD1-CG2 3.52Å; F122-V151 HydrophobicContact CE1-CG2 4.19Å; F122-V151 HydrophobicContact CG-CB 4.32Å; F122-V151 HydrophobicContact CG-CG2 3.92Å; F122-V154 HydrophobicContact CD2-CG2 3.71Å; F122-V154 HydrophobicContact CE2-CG1 4.03Å; F122-V154 HydrophobicContact CE2-CG2 3.69Å; F122-V154 HydrophobicContact CZ-CG2 4.48Å
123I74.4Confident67.7Low54 Ų5457.9 Ų57.928%0.27730%0.303SS..THydrogen-bonded Turntrans-101.4-44.5180-47.7162.2000110.4L120 H121 Y150 M169 L173L120-I123 HydrophobicContact CD2-CD1 4.27Å; L120-I123 WeakPolarHBondContact O-CB 3.36Å; L120-I123 PolarHBondContact O-N 3.07Å; H121-I123 PolarHBondContact O-N 3.05Å; I123-Y150 WeakPolarHBondContact O-CE1 3.34Å; I123-M169 HydrophobicContact CD1-CE 3.54Å; I123-L173 HydrophobicContact CD1-CD1 3.41Å; I123-L173 VanDerWaalsContact CD1-CD1 3.41Å; I123-L173 HydrophobicContact CD1-CD2 3.69Å; I123-L173 HydrophobicContact CD1-CG 4.16Å; I123-L173 HydrophobicContact CG1-CD1 3.6Å; I123-L173 HydrophobicContact CG1-CD2 4.04Å; I123-L173 HydrophobicContact CG1-CG 4.45Å
124V63.3Low65.3Low80 Ų8060.3 Ų60.349%0.48531%0.308SS..  trans-110.375.4-173.1-171.30000108.3L120L120-V124 PolarHBondContact O-N 3.27Å
125F54.1Low62.9Low5 Ų567.5 Ų67.52%0.02234%0.338CS..  trans-98.9-3.3176.4-152.4-102.6000113.9Y41 L104 F106 L128 L129Y41-F125 HydrophobicContact CD2-CE2 4.29Å; Y41-F125 HydrophobicContact CD2-CZ 4.06Å; Y41-F125 HydrophobicContact CE2-CE2 4.2Å; Y41-F125 AromaticContact CE2-CZ 3.63Å; Y41-F125 HydrophobicContact CE2-CZ 3.63Å; L104-F125 HydrophobicContact CD1-CD2 4.24Å; L104-F125 HydrophobicContact CD1-CE1 4.44Å; L104-F125 HydrophobicContact CD1-CE2 3.37Å; L104-F125 HydrophobicContact CD1-CZ 3.49Å; L104-F125 VanDerWaalsContact CD1-CZ 3.49Å; L104-F125 HydrophobicContact CD2-CD2 3.3Å; L104-F125 HydrophobicContact CD2-CE2 3.35Å; L104-F125 HydrophobicContact CD2-CG 3.98Å; L104-F125 HydrophobicContact CD2-CZ 4.04Å; L104-F125 HydrophobicContact CG-CD2 4.4Å; L104-F125 HydrophobicContact CG-CE2 3.98Å; L104-F125 HydrophobicContact CG-CZ 4.41Å; F106-F125 HydrophobicContact CZ-CE2 4.35Å; F125-L128 HydrophobicContact CD2-CD1 4.19Å; F125-L128 HydrophobicContact CE2-CD1 3.95Å; F125-L129 HydrophobicContact CD1-CD1 3.94Å; F125-L129 HydrophobicContact CD1-CG 4.35Å; F125-L129 HydrophobicContact CE1-CD1 3.81Å; F125-L129 HydrophobicContact CE1-CD2 4.5Å; F125-L129 HydrophobicContact CE1-CG 3.92Å
126D48.2Very low60.3Low84 Ų8471.6 Ų71.645%0.44936%0.364SS..Hα-helixtrans-70.1-38.6179.1-101.7-10.2000113L128D126-L128 PolarHBondContact O-N 2.82Å
127D44.6Very low57.7Low109 Ų10971.8 Ų71.858%0.58339%0.387SS*.Hα-helixtrans-73-21.5-173.8-86.1-9.1000114.5
128L46.7Very low55.2Low43 Ų4375.6 Ų75.623%0.22541%0.408CS..Hα-helixtrans-80.4-37.4-176.9-70.3172.6000112.4Y41 F125 D126 N131 D132Y41-L128 HydrophobicContact CD1-CD1 4.43Å; Y41-L128 HydrophobicContact CE1-CD1 4.24Å; F125-L128 HydrophobicContact CD2-CD1 4.19Å; F125-L128 HydrophobicContact CE2-CD1 3.95Å; D126-L128 PolarHBondContact O-N 2.82Å; L128-N131 PolarHBondContact O-N 2.88Å; L128-D132 PolarHBondContact O-N 3.05Å; L128-D132 VanDerWaalsContact O-N 3.16Å
129L44.7Very low52.4Low77 Ų7784.1 Ų84.140%0.40345%0.448SS..Hα-helixtrans-72.1-29.9179.6-76.1166.9000112.7F125 N131 T133F125-L129 HydrophobicContact CD1-CD1 3.94Å; F125-L129 HydrophobicContact CD1-CG 4.35Å; F125-L129 HydrophobicContact CE1-CD1 3.81Å; F125-L129 HydrophobicContact CE1-CD2 4.5Å; F125-L129 HydrophobicContact CE1-CG 3.92Å; L129-N131 VanDerWaalsContact C-N 3.25Å; L129-N131 PolarHBondContact O-N 3.21Å; L129-T133 PolarHBondContact O-N 2.82Å; L129-T133 PolarHBondContact O-OG1 2.72Å
130E41.1Very low49.7Very low133 Ų13392.7 Ų92.762%0.62149%0.488SS*.Hα-helixtrans-69-22.7173.4-77.4-161.316800113.2T133E130-T133 PolarHBondContact O-OG1 3.05Å
131N39.2Very low47.2Very low99 Ų9998.6 Ų98.653%0.52951%0.514SS..Hα-helixtrans-95.1-34.8-178.7-86.4-23000113.9L128 L129 K134L128-N131 PolarHBondContact O-N 2.88Å; L129-N131 VanDerWaalsContact C-N 3.25Å; L129-N131 PolarHBondContact O-N 3.21Å; N131-K134 PolarHBondContact O-N 3.3Å
132D41.6Very low44.8Very low64 Ų64106.6 Ų106.634%0.34254%0.544SS..Hα-helixtrans-74.5-29.9176.9-85.7-26.8000113Y41 L128 K134 K135 T136Y41-D132 PolarHBondContact OH-OD2 3.46Å; L128-D132 PolarHBondContact O-N 3.05Å; L128-D132 VanDerWaalsContact O-N 3.16Å; D132-K134 PolarHBondContact O-N 2.62Å; D132-K135 PolarHBondContact O-N 2.98Å; D132-T136 PolarHBondContact O-N 3.48Å; D132-T136 VanDerWaalsContact O-N 3.14Å; D132-T136 PolarHBondContact O-OG1 2.9Å
133T39.7Very low42.2Very low85 Ų85112.9 Ų112.952%0.52158%0.582SS.*THydrogen-bonded Turntrans-63.3-22.4170.445.60000112.8L129 E130L129-T133 PolarHBondContact O-N 2.82Å; L129-T133 PolarHBondContact O-OG1 2.72Å; E130-T133 PolarHBondContact O-OG1 3.05Å
134K38.6Very low40.3Very low161 Ų161119.5 Ų119.570%0.761%0.612SS**THydrogen-bonded Turntrans-80.2-17.1171-70.6176.1-175.8158.80113.8N131 D132N131-K134 PolarHBondContact O-N 3.3Å; D132-K134 PolarHBondContact O-N 2.62Å
135K39.2Very low39Very low166 Ų166124.5 Ų124.572%0.72262%0.622SS**THydrogen-bonded Turntrans-91.9-33.9178.4-81.9-178.7-179.7168.20113.1D132D132-K135 PolarHBondContact O-N 2.98Å
136T37.3Very low38.3Very low86 Ų86129.6 Ų129.653%0.52866%0.659SS.*SBendtrans-100.7105.4173.6570000108.8D132 L138D132-T136 PolarHBondContact O-N 3.48Å; D132-T136 VanDerWaalsContact O-N 3.14Å; D132-T136 PolarHBondContact O-OG1 2.9Å; T136-L138 PolarHBondContact O-N 3.03Å
137G36.2Very low38.1Very low80 Ų80129.8 Ų129.883%0.82566%0.663SS**  trans-65.954.3-179.200000115.1
138L35.4Very low38.3Very low153 Ų153128.1 Ų128.180%0.80165%0.652SS**  trans-110.172.4172.2-68.8169.5000107.7T136 E140T136-L138 PolarHBondContact O-N 3.03Å; L138-E140 VanDerWaalsContact C-N 3.26Å; L138-E140 PolarHBondContact O-N 3.26Å
139E31.7Very low38.6Very low189 Ų189127.6 Ų127.688%0.88365%0.651SS**  trans-7910.1-177.2-85.3-165154.200115.2
140E33Very low39.9Very low180 Ų180125.8 Ų125.884%0.84164%0.639SS**SBendtrans-126.386.3-176.5-68.4-174.3169.800111.8L138L138-E140 VanDerWaalsContact C-N 3.26Å; L138-E140 PolarHBondContact O-N 3.26Å
141Q32.5Very low42.2Very low178 Ų178119.6 Ų119.683%0.83261%0.61SS**SBendtrans169.22.7137.6-92.7173.17.400117.9T143Q141-T143 PolarHBondContact O-N 2.94Å
142Y34.8Very low44.6Very low212 Ų212114.9 Ų114.983%0.83158%0.584SS**  trans-103.362.6180-70.8-81.8000114.2
143T31.1Very low47.1Very low132 Ų132111.8 Ų111.881%0.8157%0.568SS**SBendtrans-93.6118.2158.721.80000108.1Q141Q141-T143 PolarHBondContact O-N 2.94Å
144Q33.1Very low49.8Very low194 Ų194107.8 Ų107.891%0.90754%0.543SS*.SBendtrans97.628.7173.6-51.9-173.5-13.400120.5
145R36Very low52.7Low184 Ų184100.1 Ų100.169%0.69451%0.51SS*.  trans-118.361.2156.1-96.2-174.8-179.8179-3.5111.5T147R145-T147 PolarHBondContact O-N 3.31Å
146S39.1Very low55.4Low112 Ų11292.2 Ų92.278%0.78348%0.476SS*.  trans-76.437.4160.766.10000111.1E148S146-E148 PolarHBondContact O-N 3.38Å
147T43.6Very low58Low88 Ų8888.1 Ų88.154%0.5445%0.45SS..  trans-81.264.8168.150.30000107.3R145 T149R145-T147 PolarHBondContact O-N 3.31Å; T147-T149 WeakPolarHBondContact O-CA 3.23Å; T147-T149 PolarHBondContact O-N 2.93Å
148E48.9Very low60.6Low74 Ų7484.5 Ų84.535%0.34641%0.413SS..  trans1485133.4-120.9-167.6-149.900111S146 Y150 H448 R451S146-E148 PolarHBondContact O-N 3.38Å; E148-Y150 VanDerWaalsContact C-CD2 3.49Å; E148-Y150 HydrophobicContact CB-CD2 4.44Å; E148-Y150 HydrophobicContact CB-CE2 3.57Å; E148-Y150 HydrophobicContact CG-CE2 3.65Å; E148-Y150 WeakPolarHBondContact CG-OH 3.1Å; E148-Y150 WeakPolarHBondContact O-CD2 3.14Å; E148-Y150 WeakPolarHBondContact O-CE2 3.48Å; E148-H448 IonicContact OE1-CD2 3.73Å; E148-H448 IonicContact OE2-CD2 3.03Å; E148-H448 PolarHBondContact OE2-CD2 2.89Å; E148-H448 IonicContact OE2-CG 3.64Å; E148-R451 IonicContact OE2-CZ 3.51Å; E148-R451 IonicContact OE2-NH1 3.58Å; E148-R451 IonicContact OE2-NH2 3.54Å; E148-R451 PolarHBondContact OE2-NH2 3.44Å
149T53.1Low63.1Low33 Ų3380 Ų8020%0.20239%0.388CS..  trans-90.2111.1-166-10000109.6L49 T147L49-T149 HydrophobicContact CD1-CG2 3.33Å; L49-T149 HydrophobicContact CG-CG2 3.99Å; T147-T149 WeakPolarHBondContact O-CA 3.23Å; T147-T149 PolarHBondContact O-N 2.93Å
150Y73.5Confident65.9Low39 Ų3971.7 Ų71.715%0.15335%0.35CS..  trans-116.9142.7-178.4-62.8-95.7000111.2I123 E148 R451I123-Y150 WeakPolarHBondContact O-CE1 3.34Å; E148-Y150 VanDerWaalsContact C-CD2 3.49Å; E148-Y150 HydrophobicContact CB-CD2 4.44Å; E148-Y150 HydrophobicContact CB-CE2 3.57Å; E148-Y150 HydrophobicContact CG-CE2 3.65Å; E148-Y150 WeakPolarHBondContact CG-OH 3.1Å; E148-Y150 WeakPolarHBondContact O-CD2 3.14Å; E148-Y150 WeakPolarHBondContact O-CE2 3.48Å; Y150-R451 PolarHBondContact OH-NH1 2.9Å; Y150-R451 VanDerWaalsContact OH-NH1 3.11Å
151V88.2Confident68.6Low2 Ų265.7 Ų65.71%0.01232%0.324CS..EExtended strand (participates in β ladder)trans-70.5133.7173.1167.30000111L49 F122 A153 V154 R455L49-V151 WeakPolarHBondContact O-CA 3.44Å; F122-V151 HydrophobicContact CB-CB 4.08Å; F122-V151 HydrophobicContact CB-CG2 3.97Å; F122-V151 HydrophobicContact CD1-CB 4.39Å; F122-V151 HydrophobicContact CD1-CG2 3.52Å; F122-V151 HydrophobicContact CE1-CG2 4.19Å; F122-V151 HydrophobicContact CG-CB 4.32Å; F122-V151 HydrophobicContact CG-CG2 3.92Å; V151-A153 WeakPolarHBondContact CG1-O 3.32Å; V151-V154 HydrophobicContact CG1-CG2 3.83Å; V151-R455 PolarHBondContact O-NH2 2.91Å
152T89.6Confident71.4Confident0 Ų057.2 Ų57.20%028%0.284CS..EExtended strand (participates in β ladder)trans-83.4-47-178.6-55.50000112.3V48 L49 L434 W446 L458V48-T152 HydrophobicContact CG1-CG2 4.23Å; V48-T152 WeakPolarHBondContact CG1-OG1 3.42Å; L49-T152 PolarHBondContact O-N 3.46Å; L49-T152 PolarHBondContact O-OG1 2.84Å; T152-L434 HydrophobicContact CG2-CD1 4.27Å; T152-L434 HydrophobicContact CG2-CD2 3.79Å; T152-W446 HydrophobicContact CG2-CH2 3.44Å; T152-W446 VanDerWaalsContact CG2-CH2 3.44Å; T152-W446 HydrophobicContact CG2-CZ2 4.12Å; T152-W446 HydrophobicContact CG2-CZ3 3.73Å; T152-W446 WeakPolarHBondContact OG1-CH2 3.46Å; T152-W446 WeakPolarHBondContact OG1-CZ2 3.4Å; T152-L458 HydrophobicContact CG2-CD2 3.69Å
153A94.7Very high74.3Confident0 Ų047.1 Ų47.10%025%0.245CC..EExtended strand (participates in β ladder)trans-152.515517700000107.8G51 V151 P176 I430 L458G51-A153 PolarHBondContact N-O 3.02Å; V151-A153 WeakPolarHBondContact CG1-O 3.32Å; A153-P176 CarbonylContact C-O 3.54Å; A153-P176 WeakPolarHBondContact CA-O 3.17Å; A153-P176 HydrophobicContact CB-CB 4.33Å; A153-P176 WeakPolarHBondContact CB-O 3.22Å; A153-I430 HydrophobicContact CB-CD1 3.75Å; A153-I430 HydrophobicContact CB-CG1 4.02Å; A153-I430 HydrophobicContact CB-CG2 4.18Å; A153-L458 HydrophobicContact CB-CD2 4.06Å
154V97.1Very high77.4Confident0 Ų042 Ų420%021%0.212CC..EExtended strand (participates in β ladder)trans-106.6123.3-179.9174.40000109.4G51 L53 F122 V151 L170 I175 P176 Q177 I178G51-V154 CarbonylContact O-C 3.52Å; G51-V154 WeakPolarHBondContact O-CA 3.46Å; L53-V154 HydrophobicContact CD1-CG1 3.82Å; L53-V154 HydrophobicContact CG-CG1 4.04Å; F122-V154 HydrophobicContact CD2-CG2 3.71Å; F122-V154 HydrophobicContact CE2-CG1 4.03Å; F122-V154 HydrophobicContact CE2-CG2 3.69Å; F122-V154 HydrophobicContact CZ-CG2 4.48Å; V151-V154 HydrophobicContact CG1-CG2 3.83Å; V154-L170 HydrophobicContact CB-CD1 3.73Å; V154-L170 HydrophobicContact CG1-CD1 4.14Å; V154-L170 HydrophobicContact CG2-CD1 3.75Å; V154-L170 HydrophobicContact CG2-CD2 4Å; V154-I175 HydrophobicContact CG2-CG2 3.9Å; V154-P176 PolarHBondContact N-O 3.05Å; V154-Q177 HydrophobicContact CG1-CG 4.47Å; V154-Q177 CarbonylContact O-C 2.96Å; V154-Q177 VanDerWaalsContact O-CA 3.31Å; V154-Q177 WeakPolarHBondContact O-CA 3.33Å; V154-I178 PolarHBondContact O-N 3.5Å
155V98.1Very high80.2Confident0 Ų033.8 Ų33.80%018%0.176CC..EExtended strand (participates in β ladder)trans-92.7112166.7178.10000107.6G51 G52 L53 M83 Y180 V423 V427 I430G51-V155 PolarHBondContact O-N 3.08Å; G52-V155 WeakPolarHBondContact CA-O 3.26Å; L53-V155 PolarHBondContact N-O 2.98Å; M83-V155 HydrophobicContact CE-CB 4.37Å; M83-V155 HydrophobicContact CE-CG2 4.48Å; M83-V155 HydrophobicContact SD-CB 4.38Å; V155-Y180 HydrophobicContact CG1-CD1 3.98Å; V155-Y180 HydrophobicContact CG1-CE1 4.43Å; V155-V423 HydrophobicContact CG1-CG1 4.44Å; V155-V427 HydrophobicContact CG2-CG2 4.17Å; V155-I430 HydrophobicContact CG2-CD1 3.44Å; V155-I430 VanDerWaalsContact CG2-CD1 3.44Å
156G96.2Very high83.1Confident0 Ų025 Ų250%014%0.143CC..EExtended strand (participates in β ladder)trans131.3-156.2168.100000116.6Q177 I178G156-Q177 PolarHBondContact O-NE2 2.96Å; G156-I178 PolarHBondContact N-O 3.42Å
157G92.2Very high85.8Confident0 Ų019.9 Ų19.90%011%0.108CC..  trans82.2102.3-14200000109.5L53 S163 S179 S182L53-G157 PolarHBondContact O-N 3.36Å; G157-S163 VanDerWaalsContact C-OG 3.24Å; G157-S163 VanDerWaalsContact CA-OG 3.26Å; G157-S163 WeakPolarHBondContact CA-OG 3.46Å; G157-S163 PolarHBondContact O-OG 3.47Å; G157-S163 VanDerWaalsContact O-OG 3.11Å; G157-S179 PolarHBondContact O-OG 2.98Å; G157-S182 PolarHBondContact O-OG 3.4Å
158S90.5Very high88.2Confident4 Ų418.7 Ų18.73%0.02810%0.098CC..  trans-83.3-50.7178.553.70000111.7P55 M181 S182P55-S158 WeakPolarHBondContact CG-OG 3.46Å; S158-M181 CarbonylContact O-C 3.54Å; S158-M181 VanDerWaalsContact O-CB 3.31Å; S158-M181 WeakPolarHBondContact O-CB 3.34Å; S158-M181 VanDerWaalsContact O-CG 3.24Å; S158-M181 WeakPolarHBondContact O-CG 3.49Å; S158-S182 PolarHBondContact O-N 3.06Å; S158-S182 PolarHBondContact O-OG 2.85Å
159Q88.3Confident90.2Very high60 Ų6016.8 Ų16.828%0.289%0.089SC..SBendtrans-85.2153.3176.8-58.1-174.2-0.900110.8E110 D161 V162 S163 S182E110-Q159 VanDerWaalsContact CG-NE2 3.35Å; E110-Q159 PolarHBondContact OE1-NE2 3.38Å; E110-Q159 PolarHBondContact OE2-NE2 3.2Å; Q159-D161 WeakPolarHBondContact CB-OD1 3.31Å; Q159-V162 HydrophobicContact CB-CB 4.2Å; Q159-V162 HydrophobicContact CB-CG2 4.04Å; Q159-V162 PolarHBondContact O-N 3.3Å; Q159-S163 WeakPolarHBondContact O-CB 3.15Å; Q159-S163 PolarHBondContact O-N 2.82Å; Q159-S163 PolarHBondContact O-OG 2.99Å; Q159-S182 PolarHBondContact O-OG 3.44Å
160S90.6Very high92.1Very high14 Ų1415.2 Ų15.210%0.0988%0.08CC..Hα-helixtrans-69.7-41.8-172.9-66.30000112.9S163 I164 S184S160-S163 PolarHBondContact O-N 3.07Å; S160-I164 WeakPolarHBondContact O-CD1 3.48Å; S160-I164 WeakPolarHBondContact O-CG1 3.28Å; S160-I164 PolarHBondContact O-N 3.34Å; S160-S184 VanDerWaalsContact CB-CB 3.46Å; S160-S184 WeakPolarHBondContact OG-CB 3.46Å; S160-S184 PolarHBondContact OG-N 2.98Å
161D88.8Confident93Very high53 Ų5316.7 Ų16.728%0.2839%0.087SC..Hα-helixtrans-64.1-43.4174.357-19.9000112.1P112 Q159 S163 I164 S165P112-D161 HydrophobicContact CG-CB 3.83Å; P112-D161 WeakPolarHBondContact CG-OD2 3.32Å; Q159-D161 WeakPolarHBondContact CB-OD1 3.31Å; D161-S163 VanDerWaalsContact C-N 3.31Å; D161-S163 PolarHBondContact O-N 3.26Å; D161-I164 PolarHBondContact O-N 3.33Å; D161-S165 PolarHBondContact O-N 3.03Å
162V92.5Very high93.1Very high0 Ų024.9 Ų24.90%012%0.123CC..Hα-helixtrans-56.3-47.7170.8169.20000110.3T108 P112 A115 Q159 I164 S165 V166T108-V162 HydrophobicContact CG2-CG1 4.01Å; P112-V162 HydrophobicContact CG-CG2 4.27Å; A115-V162 HydrophobicContact CB-CG1 3.59Å; Q159-V162 HydrophobicContact CB-CB 4.2Å; Q159-V162 HydrophobicContact CB-CG2 4.04Å; Q159-V162 PolarHBondContact O-N 3.3Å; V162-I164 PolarHBondContact O-N 2.91Å; V162-S165 PolarHBondContact O-N 2.79Å; V162-V166 HydrophobicContact CG1-CG2 4.44Å; V162-V166 WeakPolarHBondContact O-CB 3.26Å; V162-V166 WeakPolarHBondContact O-CG2 3.47Å; V162-V166 PolarHBondContact O-N 2.85Å
163S95.4Very high93Very high0 Ų026.7 Ų26.70%013%0.132CC..Hα-helixtrans-67.7-36.3-179-59.80000112.8G157 Q159 S160 D161 A167 S182G157-S163 VanDerWaalsContact C-OG 3.24Å; G157-S163 VanDerWaalsContact CA-OG 3.26Å; G157-S163 WeakPolarHBondContact CA-OG 3.46Å; G157-S163 PolarHBondContact O-OG 3.47Å; G157-S163 VanDerWaalsContact O-OG 3.11Å; Q159-S163 WeakPolarHBondContact O-CB 3.15Å; Q159-S163 PolarHBondContact O-N 2.82Å; Q159-S163 PolarHBondContact O-OG 2.99Å; S160-S163 PolarHBondContact O-N 3.07Å; D161-S163 VanDerWaalsContact C-N 3.31Å; D161-S163 PolarHBondContact O-N 3.26Å; S163-A167 WeakPolarHBondContact O-CB 3.46Å; S163-A167 PolarHBondContact O-N 2.99Å; S163-S182 WeakPolarHBondContact CB-OG 3.26Å; S163-S182 WeakPolarHBondContact OG-CB 3.08Å; S163-S182 PolarHBondContact OG-OG 2.88Å
164I94.9Very high92.9Very high24 Ų2428.3 Ų28.312%0.12314%0.141CC..Hα-helixtrans-63.5-46.2175.1-73.6161000110.5S160 D161 V162 A167 N168 Q186 L187 Y193S160-I164 WeakPolarHBondContact O-CD1 3.48Å; S160-I164 WeakPolarHBondContact O-CG1 3.28Å; S160-I164 PolarHBondContact O-N 3.34Å; D161-I164 PolarHBondContact O-N 3.33Å; V162-I164 PolarHBondContact O-N 2.91Å; I164-A167 PolarHBondContact O-N 3.3Å; I164-N168 VanDerWaalsContact O-CG 3.28Å; I164-N168 PolarHBondContact O-N 3.41Å; I164-N168 PolarHBondContact O-ND2 3.48Å; I164-Q186 HydrophobicContact CD1-CB 4.3Å; I164-L187 HydrophobicContact CG1-CD1 4.23Å; I164-L187 HydrophobicContact CG1-CD2 3.71Å; I164-L187 HydrophobicContact CG1-CG 3.86Å; I164-Y193 HydrophobicContact CG2-CE1 4.31Å; I164-Y193 WeakPolarHBondContact CG2-OH 3.34Å
165S93.8Very high92.7Very high22 Ų2228.3 Ų28.315%0.15414%0.141CC..Hα-helixtrans-59.2-49.3178.3-172.10000111.4P112 D161 V162P112-S165 PolarHBondContact O-OG 3.42Å; D161-S165 PolarHBondContact O-N 3.03Å; V162-S165 PolarHBondContact O-N 2.79Å
166V95.5Very high92.6Very high0 Ų028.3 Ų28.30%014%0.141CC..Hα-helixtrans-64-46.2177.8173.90000111.5L53 A115 T119 V162 N168 M169 L170L53-V166 HydrophobicContact CD1-CB 4.26Å; L53-V166 HydrophobicContact CD1-CG1 3.59Å; L53-V166 HydrophobicContact CD1-CG2 3.66Å; A115-V166 HydrophobicContact CB-CG2 3.93Å; T119-V166 HydrophobicContact CG2-CG1 4.35Å; V162-V166 HydrophobicContact CG1-CG2 4.44Å; V162-V166 WeakPolarHBondContact O-CB 3.26Å; V162-V166 WeakPolarHBondContact O-CG2 3.47Å; V162-V166 PolarHBondContact O-N 2.85Å; V166-N168 VanDerWaalsContact C-N 3.31Å; V166-N168 PolarHBondContact O-N 3.39Å; V166-M169 WeakPolarHBondContact O-CB 3.27Å; V166-M169 PolarHBondContact O-N 3.15Å; V166-M169 VanDerWaalsContact O-N 3.07Å; V166-L170 HydrophobicContact CG1-CD1 3.47Å; V166-L170 VanDerWaalsContact CG1-CD1 3.47Å; V166-L170 HydrophobicContact CG1-CG 3.9Å; V166-L170 WeakPolarHBondContact O-CG 3.42Å; V166-L170 PolarHBondContact O-N 3.22Å
167A95.9Very high92.6Very high5 Ų528.4 Ų28.44%0.04114%0.141CC..Hα-helixtrans-63.4-36.3-177.200000112.4S163 I164 M169 K171 L187 Y193 F196S163-A167 WeakPolarHBondContact O-CB 3.46Å; S163-A167 PolarHBondContact O-N 2.99Å; I164-A167 PolarHBondContact O-N 3.3Å; A167-M169 VanDerWaalsContact C-N 3.29Å; A167-M169 PolarHBondContact O-N 3.46Å; A167-K171 VanDerWaalsContact O-CB 3.32Å; A167-K171 WeakPolarHBondContact O-CB 3.22Å; A167-K171 PolarHBondContact O-N 3.49Å; A167-L187 HydrophobicContact CB-CD2 4.45Å; A167-Y193 HydrophobicContact CB-CD1 3.8Å; A167-Y193 HydrophobicContact CB-CE1 4.33Å; A167-F196 HydrophobicContact CB-CB 4.34Å; A167-F196 HydrophobicContact CB-CD2 4.04Å
168N93.7Very high92.9Very high63 Ų6328.4 Ų28.434%0.33714%0.141SC..Hα-helixtrans-59.5-41.8174.2-75.4-32.2000111.2I164 V166 F172 Y193I164-N168 VanDerWaalsContact O-CG 3.28Å; I164-N168 PolarHBondContact O-N 3.41Å; I164-N168 PolarHBondContact O-ND2 3.48Å; V166-N168 VanDerWaalsContact C-N 3.31Å; V166-N168 PolarHBondContact O-N 3.39Å; N168-F172 WeakPolarHBondContact O-CD2 3.28Å; N168-F172 WeakPolarHBondContact O-CE2 3.41Å; N168-Y193 WeakPolarHBondContact OD1-CE1 3.19Å
169M91.3Very high93.2Very high33 Ų3328.2 Ų28.216%0.16314%0.14CC..Hα-helixtrans-71.7-50.8177.4-173.662.5-169.200111.9F116 T119 L120 I123 V166 A167 K171 F172 L173F116-M169 HydrophobicContact CD2-CB 4.17Å; F116-M169 HydrophobicContact CE2-CB 3.83Å; F116-M169 HydrophobicContact CE2-CG 4.18Å; F116-M169 HydrophobicContact CE2-SD 4.02Å; F116-M169 HydrophobicContact CZ-SD 4Å; T119-M169 HydrophobicContact CG2-CB 4.16Å; T119-M169 HydrophobicContact CG2-CG 3.94Å; L120-M169 HydrophobicContact CD2-CE 3.47Å; L120-M169 VanDerWaalsContact CD2-CE 3.47Å; L120-M169 HydrophobicContact CD2-SD 4.21Å; I123-M169 HydrophobicContact CD1-CE 3.54Å; V166-M169 WeakPolarHBondContact O-CB 3.27Å; V166-M169 PolarHBondContact O-N 3.15Å; V166-M169 VanDerWaalsContact O-N 3.07Å; A167-M169 VanDerWaalsContact C-N 3.29Å; A167-M169 PolarHBondContact O-N 3.46Å; M169-K171 PolarHBondContact O-N 3.38Å; M169-F172 WeakPolarHBondContact O-CB 3.45Å; M169-F172 PolarHBondContact O-N 3.41Å; M169-L173 HydrophobicContact CE-CD1 3.88Å; M169-L173 HydrophobicContact CE-CD2 4.28Å; M169-L173 HydrophobicContact CE-CG 4.25Å; M169-L173 HydrophobicContact CG-CD1 4.05Å; M169-L173 PolarHBondContact O-N 2.87Å
170L93.7Very high93.6Very high1 Ų125.3 Ų25.31%0.00513%0.127CC..Hα-helixtrans-63.5-28.9-175.6-67.1-178.5000112.8T119 V154 V166 F172 L173 D174 I175 Q177T119-L170 HydrophobicContact CG2-CD2 3.5Å; T119-L170 HydrophobicContact CG2-CG 3.92Å; V154-L170 HydrophobicContact CB-CD1 3.73Å; V154-L170 HydrophobicContact CG1-CD1 4.14Å; V154-L170 HydrophobicContact CG2-CD1 3.75Å; V154-L170 HydrophobicContact CG2-CD2 4Å; V166-L170 HydrophobicContact CG1-CD1 3.47Å; V166-L170 VanDerWaalsContact CG1-CD1 3.47Å; V166-L170 HydrophobicContact CG1-CG 3.9Å; V166-L170 WeakPolarHBondContact O-CG 3.42Å; V166-L170 PolarHBondContact O-N 3.22Å; L170-F172 VanDerWaalsContact C-N 3.34Å; L170-F172 PolarHBondContact O-N 2.85Å; L170-L173 HydrophobicContact CD2-CD1 4.31Å; L170-L173 CarbonylContact O-C 3.59Å; L170-L173 PolarHBondContact O-N 3.45Å; L170-L173 VanDerWaalsContact O-N 3.11Å; L170-D174 PolarHBondContact O-N 2.85Å; L170-D174 VanDerWaalsContact O-N 3.09Å; L170-I175 HydrophobicContact CB-CB 4.22Å; L170-I175 HydrophobicContact CD2-CB 3.84Å; L170-I175 HydrophobicContact CD2-CD1 3.93Å; L170-I175 HydrophobicContact CD2-CG1 4.44Å; L170-I175 HydrophobicContact CD2-CG2 3.95Å; L170-I175 HydrophobicContact CG-CB 4.5Å; L170-I175 PolarHBondContact O-N 2.94Å; L170-Q177 HydrophobicContact CD1-CB 3.71Å; L170-Q177 HydrophobicContact CD1-CG 3.99Å
171K92.8Very high93.7Very high69 Ų6926.5 Ų26.530%0.313%0.131SC..Hα-helixtrans-57-44.6170.4-179.1-176.1-172.5173.70112.3A167 M169 L173 D174 D191 K192 Y195A167-K171 VanDerWaalsContact O-CB 3.32Å; A167-K171 WeakPolarHBondContact O-CB 3.22Å; A167-K171 PolarHBondContact O-N 3.49Å; M169-K171 PolarHBondContact O-N 3.38Å; K171-L173 PolarHBondContact O-N 3.46Å; K171-D174 PolarHBondContact O-N 3.15Å; K171-D191 PolarHBondContact NZ-O 3.38Å; K171-K192 VanDerWaalsContact CD-O 3.24Å; K171-K192 WeakPolarHBondContact CD-O 3.23Å; K171-K192 WeakPolarHBondContact CE-O 3.37Å; K171-K192 PolarHBondContact NZ-O 3.27Å; K171-Y195 HydrophobicContact CG-CD2 4.39Å
172F89.4Confident93.8Very high174 Ų17424 Ų2476%0.76312%0.117SC*.Hα-helixtrans-67.7-20.8178.2-72-74000112.9N168 M169 L170N168-F172 WeakPolarHBondContact O-CD2 3.28Å; N168-F172 WeakPolarHBondContact O-CE2 3.41Å; M169-F172 WeakPolarHBondContact O-CB 3.45Å; M169-F172 PolarHBondContact O-N 3.41Å; L170-F172 VanDerWaalsContact C-N 3.34Å; L170-F172 PolarHBondContact O-N 2.85Å
173L88.7Confident93.8Very high38 Ų3824.2 Ų24.220%0.19912%0.12CC..THydrogen-bonded Turntrans-99.21.7-178.3-57.4167000112.9I123 M169 L170 K171 I175 R455I123-L173 HydrophobicContact CD1-CD1 3.41Å; I123-L173 VanDerWaalsContact CD1-CD1 3.41Å; I123-L173 HydrophobicContact CD1-CD2 3.69Å; I123-L173 HydrophobicContact CD1-CG 4.16Å; I123-L173 HydrophobicContact CG1-CD1 3.6Å; I123-L173 HydrophobicContact CG1-CD2 4.04Å; I123-L173 HydrophobicContact CG1-CG 4.45Å; M169-L173 HydrophobicContact CE-CD1 3.88Å; M169-L173 HydrophobicContact CE-CD2 4.28Å; M169-L173 HydrophobicContact CE-CG 4.25Å; M169-L173 HydrophobicContact CG-CD1 4.05Å; M169-L173 PolarHBondContact O-N 2.87Å; L170-L173 HydrophobicContact CD2-CD1 4.31Å; L170-L173 CarbonylContact O-C 3.59Å; L170-L173 PolarHBondContact O-N 3.45Å; L170-L173 VanDerWaalsContact O-N 3.11Å; K171-L173 PolarHBondContact O-N 3.46Å; L173-I175 HydrophobicContact CB-CD1 3.74Å; L173-I175 HydrophobicContact CB-CG1 3.83Å; L173-I175 HydrophobicContact CD1-CD1 4.06Å; L173-I175 PolarHBondContact O-N 3.08Å; L173-R455 PolarHBondContact O-NH1 3.3Å
174D90.8Very high93.6Very high34 Ų3424.5 Ų24.518%0.18212%0.122CC..THydrogen-bonded Turntrans52.232.3-171.3-66.1-43.3000113L170 K171 P176 Y195 E452 R455L170-D174 PolarHBondContact O-N 2.85Å; L170-D174 VanDerWaalsContact O-N 3.09Å; K171-D174 PolarHBondContact O-N 3.15Å; D174-P176 WeakPolarHBondContact O-CD 3.22Å; D174-Y195 HydrophobicContact CB-CE1 3.89Å; D174-Y195 HydrophobicContact CB-CE2 4.19Å; D174-Y195 VanDerWaalsContact CB-OH 3.3Å; D174-Y195 WeakPolarHBondContact CB-OH 3.49Å; D174-Y195 VanDerWaalsContact O-CE1 3.29Å; D174-Y195 WeakPolarHBondContact O-CE1 3.25Å; D174-Y195 WeakPolarHBondContact OD1-CE2 3.42Å; D174-Y195 PolarHBondContact OD1-OH 2.99Å; D174-E452 HydrophobicContact CB-CG 4.38Å; D174-E452 WeakPolarHBondContact OD2-CG 3.33Å; D174-R455 WeakPolarHBondContact O-CB 3.37Å; D174-R455 VanDerWaalsContact O-CD 3.3Å; D174-R455 WeakPolarHBondContact O-CD 3.48Å
175I93.4Very high93.5Very high1 Ų124.8 Ų24.81%0.00513%0.125CC..  trans-95.5118.9-177.7-63.6172.5000109.6V154 L170 L173 Q177 R455V154-I175 HydrophobicContact CG2-CG2 3.9Å; L170-I175 HydrophobicContact CB-CB 4.22Å; L170-I175 HydrophobicContact CD2-CB 3.84Å; L170-I175 HydrophobicContact CD2-CD1 3.93Å; L170-I175 HydrophobicContact CD2-CG1 4.44Å; L170-I175 HydrophobicContact CD2-CG2 3.95Å; L170-I175 HydrophobicContact CG-CB 4.5Å; L170-I175 PolarHBondContact O-N 2.94Å; L173-I175 HydrophobicContact CB-CD1 3.74Å; L173-I175 HydrophobicContact CB-CG1 3.83Å; L173-I175 HydrophobicContact CD1-CD1 4.06Å; L173-I175 PolarHBondContact O-N 3.08Å; I175-Q177 PolarHBondContact O-N 3.49Å; I175-R455 VanDerWaalsContact CG1-CZ 3.43Å
176P96.1Very high93.3Very high0 Ų026.9 Ų26.90%013%0.133CC..  trans-62.1131.7173.2-21.733.7000111.5A153 V154 D174 Y195 L458 L459 L462A153-P176 CarbonylContact C-O 3.54Å; A153-P176 WeakPolarHBondContact CA-O 3.17Å; A153-P176 HydrophobicContact CB-CB 4.33Å; A153-P176 WeakPolarHBondContact CB-O 3.22Å; V154-P176 PolarHBondContact N-O 3.05Å; D174-P176 WeakPolarHBondContact O-CD 3.22Å; P176-Y195 WeakPolarHBondContact CA-O 3.15Å; P176-Y195 HydrophobicContact CG-CD1 4.17Å; P176-L458 HydrophobicContact CG-CD2 4.23Å; P176-L458 HydrophobicContact CG-CG 4.38Å; P176-L459 HydrophobicContact CB-CD1 4.49Å; P176-L459 HydrophobicContact CG-CB 4.18Å; P176-L462 HydrophobicContact CB-CD1 3.85Å; P176-L462 HydrophobicContact CG-CD1 4.37Å
177Q97Very high93.2Very high1 Ų127 Ų271%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-112130.4173.4-174.5-175.7-13.800109.5V154 G156 L170 I175 Y195 F196 M197V154-Q177 HydrophobicContact CG1-CG 4.47Å; V154-Q177 CarbonylContact O-C 2.96Å; V154-Q177 VanDerWaalsContact O-CA 3.31Å; V154-Q177 WeakPolarHBondContact O-CA 3.33Å; G156-Q177 PolarHBondContact O-NE2 2.96Å; L170-Q177 HydrophobicContact CD1-CB 3.71Å; L170-Q177 HydrophobicContact CD1-CG 3.99Å; I175-Q177 PolarHBondContact O-N 3.49Å; Q177-Y195 PolarHBondContact N-O 3.44Å; Q177-F196 HydrophobicContact CB-CD2 4.37Å; Q177-F196 HydrophobicContact CG-CD2 4.25Å; Q177-M197 PolarHBondContact O-N 3.34Å
178I98.1Very high93Very high0 Ų028.3 Ų28.30%014%0.14CC..EExtended strand (participates in β ladder)trans-117.7103.3171-47.1-174.3000109V154 G156 M197 T199 S426 A429 I430 L462 F477V154-I178 PolarHBondContact O-N 3.5Å; G156-I178 PolarHBondContact N-O 3.42Å; I178-M197 CarbonylContact C-O 3.49Å; I178-M197 VanDerWaalsContact CA-O 3.3Å; I178-M197 WeakPolarHBondContact CA-O 3.49Å; I178-M197 HydrophobicContact CG1-CB 4.35Å; I178-T199 HydrophobicContact CG2-CG2 3.93Å; I178-S426 VanDerWaalsContact CG2-OG 3.32Å; I178-S426 WeakPolarHBondContact CG2-OG 3.26Å; I178-A429 HydrophobicContact CD1-CB 4.07Å; I178-I430 HydrophobicContact CD1-CD1 4.11Å; I178-I430 HydrophobicContact CD1-CG1 3.66Å; I178-I430 HydrophobicContact CG1-CG1 4.5Å; I178-L462 HydrophobicContact CD1-CD1 4.23Å; I178-L462 HydrophobicContact CD1-CD2 3.84Å; I178-F477 HydrophobicContact CD1-CZ 4.14Å; I178-F477 HydrophobicContact CG2-CE1 4.25Å; I178-F477 HydrophobicContact CG2-CZ 4.17Å
179S97.4Very high93Very high0 Ų028.9 Ų28.90%014%0.143CC..EExtended strand (participates in β ladder)trans-78.8138.7174174.80000111.1G157 M181 S182 M197 R198 T199G157-S179 PolarHBondContact O-OG 2.98Å; S179-M181 PolarHBondContact OG-N 3.43Å; S179-S182 VanDerWaalsContact OG-CB 3.24Å; S179-S182 WeakPolarHBondContact OG-CB 3.43Å; S179-S182 PolarHBondContact OG-N 2.85Å; S179-S182 PolarHBondContact OG-OG 3.31Å; S179-M197 PolarHBondContact N-O 3.36Å; S179-R198 CarbonylContact O-C 3.57Å; S179-R198 WeakPolarHBondContact O-CA 3.42Å; S179-R198 VanDerWaalsContact O-CB 3.28Å; S179-R198 WeakPolarHBondContact O-CB 3.16Å; S179-T199 PolarHBondContact O-N 2.92Å
180Y95.2Very high93Very high0 Ų029 Ų290%015%0.149CC..SBendtrans-98.30.3178.851.9-106.4000113.7L53 F54 P55 L79 V155 V200 V423L53-Y180 PolarHBondContact O-OH 3.01Å; F54-Y180 AromaticContact CD1-CE1 3.8Å; F54-Y180 HydrophobicContact CD1-CE1 3.8Å; F54-Y180 AromaticContact CD1-CZ 3.67Å; F54-Y180 VanDerWaalsContact CD1-OH 3.23Å; F54-Y180 WeakPolarHBondContact CD1-OH 3.43Å; F54-Y180 HydrophobicContact CE1-CD1 4.27Å; F54-Y180 AromaticContact CE1-CE1 3.45Å; F54-Y180 HydrophobicContact CE1-CE1 3.45Å; F54-Y180 VanDerWaalsContact CE1-CE1 3.45Å; F54-Y180 AromaticContact CE1-CZ 3.79Å; F54-Y180 HydrophobicContact CZ-CE1 4.15Å; P55-Y180 WeakPolarHBondContact CD-OH 3.37Å; L79-Y180 HydrophobicContact CD1-CD2 4.35Å; L79-Y180 HydrophobicContact CD1-CE2 3.7Å; V155-Y180 HydrophobicContact CG1-CD1 3.98Å; V155-Y180 HydrophobicContact CG1-CE1 4.43Å; Y180-V200 VanDerWaalsContact O-CG1 3.22Å; Y180-V200 WeakPolarHBondContact O-CG1 3.25Å; Y180-V423 HydrophobicContact CD1-CG2 3.78Å; Y180-V423 HydrophobicContact CD2-CG2 3.92Å; Y180-V423 HydrophobicContact CE1-CG2 4.35Å; Y180-V423 HydrophobicContact CG-CG2 3.53Å
181M92.7Very high92.8Very high38 Ų3835.5 Ų35.519%0.18718%0.184CC..SBendtrans-150-18.5-173.1178.7162.6-179.300115.5S158 S179 A183 Y419S158-M181 CarbonylContact O-C 3.54Å; S158-M181 VanDerWaalsContact O-CB 3.31Å; S158-M181 WeakPolarHBondContact O-CB 3.34Å; S158-M181 VanDerWaalsContact O-CG 3.24Å; S158-M181 WeakPolarHBondContact O-CG 3.49Å; S179-M181 PolarHBondContact OG-N 3.43Å; M181-A183 PolarHBondContact O-N 3.21Å; M181-A183 VanDerWaalsContact O-N 3.16Å; M181-Y419 HydrophobicContact CB-CD1 3.97Å; M181-Y419 HydrophobicContact CB-CE1 3.81Å; M181-Y419 HydrophobicContact CE-CE1 3.94Å; M181-Y419 HydrophobicContact CE-CE2 3.97Å; M181-Y419 WeakPolarHBondContact CE-OH 3.43Å; M181-Y419 HydrophobicContact CG-CD1 3.93Å; M181-Y419 HydrophobicContact CG-CE1 3.33Å; M181-Y419 HydrophobicContact SD-CD1 3.86Å; M181-Y419 HydrophobicContact SD-CD2 4.42Å; M181-Y419 HydrophobicContact SD-CE1 3.48Å; M181-Y419 WeakPolarHBondContact SD-CE1 3.25Å; M181-Y419 HydrophobicContact SD-CE2 4.13Å; M181-Y419 HydrophobicContact SD-CG 4.33Å
182S92.6Very high92.8Very high0 Ų036.8 Ų36.80%019%0.19CC..  trans-76.7105.8-175.1-66.40000113.4G157 S158 Q159 S163 S179 R198G157-S182 PolarHBondContact O-OG 3.4Å; S158-S182 PolarHBondContact O-N 3.06Å; S158-S182 PolarHBondContact O-OG 2.85Å; Q159-S182 PolarHBondContact O-OG 3.44Å; S163-S182 WeakPolarHBondContact CB-OG 3.26Å; S163-S182 WeakPolarHBondContact OG-CB 3.08Å; S163-S182 PolarHBondContact OG-OG 2.88Å; S179-S182 VanDerWaalsContact OG-CB 3.24Å; S179-S182 WeakPolarHBondContact OG-CB 3.43Å; S179-S182 PolarHBondContact OG-N 2.85Å; S179-S182 PolarHBondContact OG-OG 3.31Å; S182-R198 WeakPolarHBondContact O-CD 3.47Å; S182-R198 PolarHBondContact O-NH1 2.96Å
183A91.7Very high93.1Very high6 Ų628.6 Ų28.65%0.0515%0.154CC..  trans-94.1-2.9-176.900000115M181 S185 R198 I203M181-A183 PolarHBondContact O-N 3.21Å; M181-A183 VanDerWaalsContact O-N 3.16Å; A183-S185 PolarHBondContact O-N 3.48Å; A183-R198 VanDerWaalsContact CA-NH1 3.28Å; A183-R198 PolarHBondContact O-NH1 2.88Å; A183-R198 VanDerWaalsContact O-NH1 3.16Å; A183-I203 WeakPolarHBondContact O-CB 3.43Å; A183-I203 WeakPolarHBondContact O-CG2 3.29Å; A183-I203 PolarHBondContact O-N 2.79Å
184S91.6Very high93.4Very high6 Ų629.3 Ų29.34%0.04216%0.159CC..  trans-53.5139.7-177.6173.80000113.4S160 Q186 R198S160-S184 VanDerWaalsContact CB-CB 3.46Å; S160-S184 WeakPolarHBondContact OG-CB 3.46Å; S160-S184 PolarHBondContact OG-N 2.98Å; S184-Q186 VanDerWaalsContact C-N 3.32Å; S184-Q186 PolarHBondContact OG-N 3.29Å; S184-R198 PolarHBondContact O-NH1 3.38Å; S184-R198 PolarHBondContact O-NH2 2.93Å
185S91.3Very high93.6Very high29 Ų2928.8 Ų28.820%0.20316%0.155CC..G310 helixtrans-74.9-19.9177.2580000113.1A183 L187 D188 V238A183-S185 PolarHBondContact O-N 3.48Å; S185-L187 PolarHBondContact O-N 3.25Å; S185-D188 WeakPolarHBondContact CA-OD2 3.17Å; S185-D188 VanDerWaalsContact O-CB 3.26Å; S185-D188 WeakPolarHBondContact O-CB 3.49Å; S185-D188 PolarHBondContact O-N 3.5Å; S185-V238 WeakPolarHBondContact OG-CG2 3.31Å
186Q90.3Very high93.7Very high66 Ų6629 Ų2931%0.30816%0.156SC..G310 helixtrans-58.9-33.1176-61.7-178.118.100111.3I164 S184 D188 Y193 E230I164-Q186 HydrophobicContact CD1-CB 4.3Å; S184-Q186 VanDerWaalsContact C-N 3.32Å; S184-Q186 PolarHBondContact OG-N 3.29Å; Q186-D188 PolarHBondContact O-N 3.46Å; Q186-Y193 WeakPolarHBondContact O-CD2 3.23Å; Q186-Y193 WeakPolarHBondContact O-CE2 3.43Å; Q186-E230 PolarHBondContact NE2-OE1 3.12Å
187L93.1Very high93.8Very high2 Ų229 Ų291%0.0116%0.156CC..G310 helixtrans-74.5-5.6178.2-67.5161.2000113.5I164 A167 S185 D189 Y193 F196I164-L187 HydrophobicContact CG1-CD1 4.23Å; I164-L187 HydrophobicContact CG1-CD2 3.71Å; I164-L187 HydrophobicContact CG1-CG 3.86Å; A167-L187 HydrophobicContact CB-CD2 4.45Å; S185-L187 PolarHBondContact O-N 3.25Å; L187-D189 VanDerWaalsContact C-N 3.29Å; L187-Y193 HydrophobicContact CD2-CD1 4.09Å; L187-Y193 HydrophobicContact CD2-CD2 4.32Å; L187-Y193 HydrophobicContact CD2-CE1 4.24Å; L187-Y193 HydrophobicContact CD2-CE2 4.48Å; L187-Y193 HydrophobicContact CD2-CG 4.12Å; L187-F196 HydrophobicContact CB-CD1 3.87Å; L187-F196 HydrophobicContact CB-CE1 3.62Å; L187-F196 HydrophobicContact CB-CZ 4.24Å; L187-F196 HydrophobicContact CD1-CE1 3.92Å; L187-F196 HydrophobicContact CD1-CE2 4.19Å; L187-F196 HydrophobicContact CD1-CZ 3.64Å; L187-F196 HydrophobicContact CD2-CD1 4.06Å; L187-F196 HydrophobicContact CD2-CD2 4.06Å; L187-F196 HydrophobicContact CD2-CE1 4.11Å; L187-F196 HydrophobicContact CD2-CE2 4.1Å; L187-F196 HydrophobicContact CD2-CG 4.05Å; L187-F196 HydrophobicContact CD2-CZ 4.13Å; L187-F196 HydrophobicContact CG-CD1 4.41Å; L187-F196 HydrophobicContact CG-CE1 4.09Å; L187-F196 HydrophobicContact CG-CZ 4.22Å
188D91.9Very high93.8Very high34 Ų3428.9 Ų28.918%0.18216%0.156CC..G310 helixtrans-74.4-19.9175.4-71.5-42.5000112.6S185 Q186 A190 R198 S202 R481 N482S185-D188 WeakPolarHBondContact CA-OD2 3.17Å; S185-D188 VanDerWaalsContact O-CB 3.26Å; S185-D188 WeakPolarHBondContact O-CB 3.49Å; S185-D188 PolarHBondContact O-N 3.5Å; Q186-D188 PolarHBondContact O-N 3.46Å; D188-A190 PolarHBondContact O-N 3Å; D188-R198 VanDerWaalsContact CG-NH2 3.33Å; D188-R198 IonicContact OD1-CZ 3.77Å; D188-R198 IonicContact OD1-NH2 3.66Å; D188-R198 PolarHBondContact OD1-NH2 3.03Å; D188-R198 IonicContact OD2-NH2 3.94Å; D188-R198 PolarHBondContact OD2-NH2 2.87Å; D188-S202 WeakPolarHBondContact OD2-CB 3.46Å; D188-S202 PolarHBondContact OD2-OG 3.13Å; D188-R481 PolarHBondContact O-NH2 3.36Å; D188-N482 PolarHBondContact OD1-ND2 3Å; D188-N482 PolarHBondContact OD1-OD1 2.56Å
189D92.9Very high93.7Very high75 Ų7529 Ų2940%0.40116%0.156SC..  trans-64.8104.3179.1-175.7-19.8000111.3L187 D191 K192 Y193L187-D189 VanDerWaalsContact C-N 3.29Å; D189-D191 VanDerWaalsContact C-N 3.3Å; D189-D191 PolarHBondContact O-N 3.16Å; D189-D191 PolarHBondContact OD1-N 2.99Å; D189-K192 HydrophobicContact CB-CB 3.98Å; D189-K192 VanDerWaalsContact CG-CB 3.42Å; D189-K192 PolarHBondContact O-N 2.92Å; D189-K192 PolarHBondContact OD1-N 3.32Å; D189-K192 WeakPolarHBondContact OD2-CB 3.49Å; D189-Y193 HydrophobicContact CB-CD2 4.34Å; D189-Y193 PolarHBondContact O-N 3.47Å
190A91.3Very high93.5Very high35 Ų3529.2 Ų29.229%0.28916%0.157SC..THydrogen-bonded Turntrans-62.1-35.6-178.600000113.5D188 T194D188-A190 PolarHBondContact O-N 3Å; A190-T194 VanDerWaalsContact O-CA 3.28Å; A190-T194 WeakPolarHBondContact O-CA 3.41Å; A190-T194 PolarHBondContact O-N 3.45Å; A190-T194 PolarHBondContact O-OG1 3.35Å
191D90.6Very high93.5Very high138 Ų13829.4 Ų29.474%0.73816%0.159SC*.THydrogen-bonded Turntrans-79-36.8-174.1-64.5-27.4000109.4K171 D189 T194K171-D191 PolarHBondContact NZ-O 3.38Å; D189-D191 VanDerWaalsContact C-N 3.3Å; D189-D191 PolarHBondContact O-N 3.16Å; D189-D191 PolarHBondContact OD1-N 2.99Å; D191-T194 PolarHBondContact O-OG1 2.8Å
192K93.2Very high93.5Very high96 Ų9627.7 Ų27.742%0.41715%0.15SC..THydrogen-bonded Turntrans-78.1-43.9176.5-166.6174.2178.3-163.60112.7K171 D189K171-K192 VanDerWaalsContact CD-O 3.24Å; K171-K192 WeakPolarHBondContact CD-O 3.23Å; K171-K192 WeakPolarHBondContact CE-O 3.37Å; K171-K192 PolarHBondContact NZ-O 3.27Å; D189-K192 HydrophobicContact CB-CB 3.98Å; D189-K192 VanDerWaalsContact CG-CB 3.42Å; D189-K192 PolarHBondContact O-N 2.92Å; D189-K192 PolarHBondContact OD1-N 3.32Å; D189-K192 WeakPolarHBondContact OD2-CB 3.49Å
193Y94.9Very high93.5Very high2 Ų227.8 Ų27.81%0.00815%0.151CC..SBendtrans-118.354.7-173.5-56.6-75.5000112.9I164 A167 N168 Q186 L187 D189 Y195 F196I164-Y193 HydrophobicContact CG2-CE1 4.31Å; I164-Y193 WeakPolarHBondContact CG2-OH 3.34Å; A167-Y193 HydrophobicContact CB-CD1 3.8Å; A167-Y193 HydrophobicContact CB-CE1 4.33Å; N168-Y193 WeakPolarHBondContact OD1-CE1 3.19Å; Q186-Y193 WeakPolarHBondContact O-CD2 3.23Å; Q186-Y193 WeakPolarHBondContact O-CE2 3.43Å; L187-Y193 HydrophobicContact CD2-CD1 4.09Å; L187-Y193 HydrophobicContact CD2-CD2 4.32Å; L187-Y193 HydrophobicContact CD2-CE1 4.24Å; L187-Y193 HydrophobicContact CD2-CE2 4.48Å; L187-Y193 HydrophobicContact CD2-CG 4.12Å; D189-Y193 HydrophobicContact CB-CD2 4.34Å; D189-Y193 PolarHBondContact O-N 3.47Å; Y193-Y195 VanDerWaalsContact C-N 3.3Å; Y193-Y195 PolarHBondContact O-N 3.16Å; Y193-F196 WeakPolarHBondContact O-CB 3.29Å; Y193-F196 PolarHBondContact O-N 3.15Å
194T94.3Very high93.5Very high52 Ų5228.9 Ų28.932%0.31916%0.158SC..THydrogen-bonded Turntrans-57.6-34.2-171.3-46.30000115.3A190 D191A190-T194 VanDerWaalsContact O-CA 3.28Å; A190-T194 WeakPolarHBondContact O-CA 3.41Å; A190-T194 PolarHBondContact O-N 3.45Å; A190-T194 PolarHBondContact O-OG1 3.35Å; D191-T194 PolarHBondContact O-OG1 2.8Å
195Y95.4Very high93.7Very high24 Ų2429.3 Ų29.39%0.09416%0.16CC..THydrogen-bonded Turntrans-94.22.1179.9-74.5-91000113.6K171 D174 P176 Q177 Y193 R456 L459K171-Y195 HydrophobicContact CG-CD2 4.39Å; D174-Y195 HydrophobicContact CB-CE1 3.89Å; D174-Y195 HydrophobicContact CB-CE2 4.19Å; D174-Y195 VanDerWaalsContact CB-OH 3.3Å; D174-Y195 WeakPolarHBondContact CB-OH 3.49Å; D174-Y195 VanDerWaalsContact O-CE1 3.29Å; D174-Y195 WeakPolarHBondContact O-CE1 3.25Å; D174-Y195 WeakPolarHBondContact OD1-CE2 3.42Å; D174-Y195 PolarHBondContact OD1-OH 2.99Å; P176-Y195 WeakPolarHBondContact CA-O 3.15Å; P176-Y195 HydrophobicContact CG-CD1 4.17Å; Q177-Y195 PolarHBondContact N-O 3.44Å; Y193-Y195 VanDerWaalsContact C-N 3.3Å; Y193-Y195 PolarHBondContact O-N 3.16Å; Y195-R456 VanDerWaalsContact OH-CG 3.31Å; Y195-R456 WeakPolarHBondContact OH-CG 3.43Å; Y195-L459 HydrophobicContact CD1-CB 4.35Å; Y195-L459 HydrophobicContact CD1-CD1 4.47Å; Y195-L459 HydrophobicContact CD1-CD2 3.65Å; Y195-L459 HydrophobicContact CD1-CG 4.37Å; Y195-L459 HydrophobicContact CE1-CB 4.25Å; Y195-L459 HydrophobicContact CE1-CD2 3.67Å; Y195-L459 HydrophobicContact CG-CD2 4.12Å
196F96.9Very high93.8Very high4 Ų428.1 Ų28.12%0.01815%0.151CC..EExtended strand (participates in β ladder)trans-89.8133.3179.5-177.4-93000111.2A167 Q177 L187 Y193 R198A167-F196 HydrophobicContact CB-CB 4.34Å; A167-F196 HydrophobicContact CB-CD2 4.04Å; Q177-F196 HydrophobicContact CB-CD2 4.37Å; Q177-F196 HydrophobicContact CG-CD2 4.25Å; L187-F196 HydrophobicContact CB-CD1 3.87Å; L187-F196 HydrophobicContact CB-CE1 3.62Å; L187-F196 HydrophobicContact CB-CZ 4.24Å; L187-F196 HydrophobicContact CD1-CE1 3.92Å; L187-F196 HydrophobicContact CD1-CE2 4.19Å; L187-F196 HydrophobicContact CD1-CZ 3.64Å; L187-F196 HydrophobicContact CD2-CD1 4.06Å; L187-F196 HydrophobicContact CD2-CD2 4.06Å; L187-F196 HydrophobicContact CD2-CE1 4.11Å; L187-F196 HydrophobicContact CD2-CE2 4.1Å; L187-F196 HydrophobicContact CD2-CG 4.05Å; L187-F196 HydrophobicContact CD2-CZ 4.13Å; L187-F196 HydrophobicContact CG-CD1 4.41Å; L187-F196 HydrophobicContact CG-CE1 4.09Å; L187-F196 HydrophobicContact CG-CZ 4.22Å; Y193-F196 WeakPolarHBondContact O-CB 3.29Å; Y193-F196 PolarHBondContact O-N 3.15Å; F196-R198 HydrophobicContact CE1-CB 4.13Å; F196-R198 HydrophobicContact CE1-CG 4.08Å; F196-R198 HydrophobicContact CZ-CB 4.17Å
197M97.2Very high94Very high0 Ų025 Ų250%014%0.137CC..EExtended strand (participates in β ladder)trans-137.7165.5171.6-58175.875.200108.6Q177 I178 S179 L459 L462 Q463 F477 K480 R481Q177-M197 PolarHBondContact O-N 3.34Å; I178-M197 CarbonylContact C-O 3.49Å; I178-M197 VanDerWaalsContact CA-O 3.3Å; I178-M197 WeakPolarHBondContact CA-O 3.49Å; I178-M197 HydrophobicContact CG1-CB 4.35Å; S179-M197 PolarHBondContact N-O 3.36Å; M197-L459 HydrophobicContact SD-CD1 4.05Å; M197-L462 HydrophobicContact CE-CB 3.93Å; M197-L462 HydrophobicContact SD-CB 3.66Å; M197-L462 HydrophobicContact SD-CD1 4.19Å; M197-L462 HydrophobicContact SD-CG 4.47Å; M197-Q463 HydrophobicContact CE-CG 4.49Å; M197-F477 HydrophobicContact CB-CE1 4.28Å; M197-F477 HydrophobicContact CE-CB 4.11Å; M197-F477 HydrophobicContact CE-CD1 3.87Å; M197-F477 HydrophobicContact CE-CD2 3.29Å; M197-F477 HydrophobicContact CE-CE1 4.08Å; M197-F477 HydrophobicContact CE-CE2 3.52Å; M197-F477 HydrophobicContact CE-CG 3.47Å; M197-F477 VanDerWaalsContact CE-CG 3.47Å; M197-F477 HydrophobicContact CE-CZ 3.92Å; M197-K480 WeakPolarHBondContact CE-O 3.27Å; M197-R481 CarbonylContact C-O 3.52Å; M197-R481 WeakPolarHBondContact CA-O 3.39Å
198R96.6Very high94Very high0 Ų025.7 Ų25.70%014%0.141CC..EExtended strand (participates in β ladder)trans-151147.1175.553.2176173.5-156.6-6.8111.9S179 S182 A183 S184 D188 F196 V200 S202 F477 R481 N482 G483S179-R198 CarbonylContact O-C 3.57Å; S179-R198 WeakPolarHBondContact O-CA 3.42Å; S179-R198 VanDerWaalsContact O-CB 3.28Å; S179-R198 WeakPolarHBondContact O-CB 3.16Å; S182-R198 WeakPolarHBondContact O-CD 3.47Å; S182-R198 PolarHBondContact O-NH1 2.96Å; A183-R198 VanDerWaalsContact CA-NH1 3.28Å; A183-R198 PolarHBondContact O-NH1 2.88Å; A183-R198 VanDerWaalsContact O-NH1 3.16Å; S184-R198 PolarHBondContact O-NH1 3.38Å; S184-R198 PolarHBondContact O-NH2 2.93Å; D188-R198 VanDerWaalsContact CG-NH2 3.33Å; D188-R198 IonicContact OD1-CZ 3.77Å; D188-R198 IonicContact OD1-NH2 3.66Å; D188-R198 PolarHBondContact OD1-NH2 3.03Å; D188-R198 IonicContact OD2-NH2 3.94Å; D188-R198 PolarHBondContact OD2-NH2 2.87Å; F196-R198 HydrophobicContact CE1-CB 4.13Å; F196-R198 HydrophobicContact CE1-CG 4.08Å; F196-R198 HydrophobicContact CZ-CB 4.17Å; R198-V200 HydrophobicContact CB-CG2 4.3Å; R198-V200 VanDerWaalsContact CD-O 3.3Å; R198-V200 WeakPolarHBondContact CD-O 3.45Å; R198-V200 VanDerWaalsContact CG-O 3.27Å; R198-V200 WeakPolarHBondContact CG-O 3.33Å; R198-S202 VanDerWaalsContact NH2-CA 3.28Å; R198-S202 PolarHBondContact NH2-OG 3.42Å; R198-S202 VanDerWaalsContact NH2-OG 3.13Å; R198-F477 WeakPolarHBondContact O-CD1 3.38Å; R198-F477 WeakPolarHBondContact O-CE1 3.46Å; R198-R481 PolarHBondContact N-O 3.01Å; R198-N482 VanDerWaalsContact CZ-OD1 3.31Å; R198-N482 PolarHBondContact NE-OD1 2.01Å; R198-N482 PolarHBondContact NH2-OD1 3.31Å; R198-N482 VanDerWaalsContact NH2-OD1 3.09Å; R198-N482 CarbonylContact O-C 3.53Å; R198-N482 VanDerWaalsContact O-C 3.31Å; R198-G483 PolarHBondContact O-N 3.15Å
199T96Very high94.2Very high3 Ų324.1 Ų24.12%0.01813%0.132CC..SBendtrans-83.7-19.6176.645.90000112.7I178 S179 Q422 N425 S426 F475 F477 G483I178-T199 HydrophobicContact CG2-CG2 3.93Å; S179-T199 PolarHBondContact O-N 2.92Å; T199-Q422 VanDerWaalsContact CB-OE1 3.32Å; T199-Q422 PolarHBondContact O-OE1 3.34Å; T199-Q422 VanDerWaalsContact O-OE1 3.07Å; T199-Q422 WeakPolarHBondContact OG1-CB 3.28Å; T199-Q422 PolarHBondContact OG1-O 2.05Å; T199-N425 HydrophobicContact CG2-CB 4.02Å; T199-S426 VanDerWaalsContact CG2-OG 3.31Å; T199-S426 WeakPolarHBondContact CG2-OG 3.37Å; T199-S426 PolarHBondContact OG1-OG 2.83Å; T199-F475 HydrophobicContact CG2-CE1 4.26Å; T199-F475 HydrophobicContact CG2-CE2 4.36Å; T199-F475 HydrophobicContact CG2-CZ 3.75Å; T199-F477 HydrophobicContact CG2-CE1 4.17Å; T199-F477 HydrophobicContact CG2-CZ 4.39Å; T199-G483 WeakPolarHBondContact O-CA 3.13Å
200V94Very high94.3Very high3 Ų320.5 Ų20.52%0.01811%0.113CC..SBendtrans-87.4151.2171.7-63.70000112Y180 R198 Q422 G483Y180-V200 VanDerWaalsContact O-CG1 3.22Å; Y180-V200 WeakPolarHBondContact O-CG1 3.25Å; R198-V200 HydrophobicContact CB-CG2 4.3Å; R198-V200 VanDerWaalsContact CD-O 3.3Å; R198-V200 WeakPolarHBondContact CD-O 3.45Å; R198-V200 VanDerWaalsContact CG-O 3.27Å; R198-V200 WeakPolarHBondContact CG-O 3.33Å; V200-Q422 HydrophobicContact CG1-CB 4.28Å; V200-Q422 HydrophobicContact CG1-CG 3.84Å; V200-G483 PolarHBondContact O-N 2.79Å
201P94.3Very high94.4Very high5 Ų518.9 Ų18.93%0.03210%0.099CC..PPolyproline II helixtrans-72.4164175.430.3-35.3000112.4M205 P350 F487P201-M205 HydrophobicContact CB-CB 4.4Å; P201-M205 HydrophobicContact CB-SD 3.76Å; P201-P350 HydrophobicContact CG-CB 3.82Å; P201-P350 HydrophobicContact CG-CG 3.41Å; P201-P350 VanDerWaalsContact CG-CG 3.41Å; P201-F487 HydrophobicContact CB-CE2 4.4Å; P201-F487 HydrophobicContact CB-CZ 3.8Å; P201-F487 HydrophobicContact CG-CE1 3.83Å; P201-F487 HydrophobicContact CG-CE2 4.39Å; P201-F487 HydrophobicContact CG-CZ 3.59Å
202S93.7Very high94.6Very high1 Ų112.9 Ų12.91%0.0077%0.067CC..PPolyproline II helixtrans-68.5150.5174-174.80000112.1D188 R198 S204 M205 T206D188-S202 WeakPolarHBondContact OD2-CB 3.46Å; D188-S202 PolarHBondContact OD2-OG 3.13Å; R198-S202 VanDerWaalsContact NH2-CA 3.28Å; R198-S202 PolarHBondContact NH2-OG 3.42Å; R198-S202 VanDerWaalsContact NH2-OG 3.13Å; S202-S204 PolarHBondContact O-N 3.35Å; S202-S204 WeakPolarHBondContact OG-CB 3.45Å; S202-S204 PolarHBondContact OG-N 2.9Å; S202-S204 VanDerWaalsContact OG-N 3.1Å; S202-M205 WeakPolarHBondContact O-CB 3.32Å; S202-M205 PolarHBondContact O-N 3.1Å; S202-T206 PolarHBondContact O-N 2.74Å; S202-T206 PolarHBondContact O-OG1 3.16Å
203I92.4Very high94.6Very high2 Ų28.4 Ų8.41%0.015%0.048CC..Hα-helixtrans-58.1-28.8165.6-169.366.3000111.3A183 M205 T206 T207 N235 V238A183-I203 WeakPolarHBondContact O-CB 3.43Å; A183-I203 WeakPolarHBondContact O-CG2 3.29Å; A183-I203 PolarHBondContact O-N 2.79Å; I203-M205 VanDerWaalsContact C-N 3.33Å; I203-M205 PolarHBondContact O-N 3.32Å; I203-T206 HydrophobicContact CD1-CG2 4.5Å; I203-T206 PolarHBondContact O-N 3Å; I203-T207 VanDerWaalsContact O-CB 3.26Å; I203-T207 WeakPolarHBondContact O-CB 3.3Å; I203-T207 PolarHBondContact O-N 2.71Å; I203-T207 PolarHBondContact O-OG1 2.95Å; I203-N235 HydrophobicContact CG1-CB 4.17Å; I203-N235 WeakPolarHBondContact CG1-OD1 3.2Å; I203-V238 HydrophobicContact CG2-CG2 4.42Å
204S92.8Very high94.5Very high30 Ų308.3 Ų8.321%0.215%0.047CC..Hα-helixtrans-58.1-45.9172.7-175.30000111.2S202 T207 D208 K242S202-S204 PolarHBondContact O-N 3.35Å; S202-S204 WeakPolarHBondContact OG-CB 3.45Å; S202-S204 PolarHBondContact OG-N 2.9Å; S202-S204 VanDerWaalsContact OG-N 3.1Å; S204-T207 WeakPolarHBondContact O-CB 3.45Å; S204-T207 PolarHBondContact O-N 2.97Å; S204-D208 PolarHBondContact O-N 3.28Å; S204-K242 VanDerWaalsContact O-CE 3.32Å; S204-K242 WeakPolarHBondContact O-CE 3.26Å; S204-K242 PolarHBondContact O-NZ 3.45Å; S204-K242 WeakPolarHBondContact OG-CE 3.48Å; S204-K242 PolarHBondContact OG-NZ 3.24Å
205M94.6Very high94.3Very high14 Ų149.5 Ų9.57%0.0695%0.046CC..Hα-helixtrans-68.9-43.3177.6-63.1159.1176.300111P201 S202 I203 T207 D208 V209 F478 N482 P485 F487P201-M205 HydrophobicContact CB-CB 4.4Å; P201-M205 HydrophobicContact CB-SD 3.76Å; S202-M205 WeakPolarHBondContact O-CB 3.32Å; S202-M205 PolarHBondContact O-N 3.1Å; I203-M205 VanDerWaalsContact C-N 3.33Å; I203-M205 PolarHBondContact O-N 3.32Å; M205-T207 PolarHBondContact O-N 3.23Å; M205-D208 WeakPolarHBondContact O-CB 3.5Å; M205-D208 PolarHBondContact O-N 3.46Å; M205-V209 WeakPolarHBondContact O-CG2 3.23Å; M205-V209 PolarHBondContact O-N 3.43Å; M205-F478 HydrophobicContact CE-CD1 3.34Å; M205-F478 HydrophobicContact CE-CE1 3.71Å; M205-F478 HydrophobicContact CE-CG 4.29Å; M205-N482 HydrophobicContact CE-CB 3.83Å; M205-N482 HydrophobicContact SD-CB 4.45Å; M205-P485 HydrophobicContact CG-CB 4.35Å; M205-P485 HydrophobicContact SD-CB 4.13Å; M205-F487 HydrophobicContact CB-CE2 4.08Å; M205-F487 HydrophobicContact CB-CZ 3.95Å
206T94Very high94Very high4 Ų413.3 Ų13.33%0.0256%0.063CC..Hα-helixtrans-58.2-38.7175.8-51.30000111.3S202 I203 V209 I210 T315 V348 F487S202-T206 PolarHBondContact O-N 2.74Å; S202-T206 PolarHBondContact O-OG1 3.16Å; I203-T206 HydrophobicContact CD1-CG2 4.5Å; I203-T206 PolarHBondContact O-N 3Å; T206-V209 WeakPolarHBondContact O-CB 3.13Å; T206-V209 PolarHBondContact O-N 3.42Å; T206-I210 WeakPolarHBondContact O-CG1 3.37Å; T206-I210 PolarHBondContact O-N 2.97Å; T206-I210 VanDerWaalsContact O-N 3.08Å; T206-T315 HydrophobicContact CG2-CG2 3.94Å; T206-V348 HydrophobicContact CG2-CG1 4.12Å; T206-F487 HydrophobicContact CG2-CE1 4.16Å; T206-F487 VanDerWaalsContact OG1-CE1 3.31Å; T206-F487 WeakPolarHBondContact OG1-CE1 3.45Å
207T94.4Very high93.6Very high1 Ų114 Ų141%0.0067%0.066CC..Hα-helixtrans-62.6-40176.2-65.90000111.9I203 S204 M205 V209 I210 I211 V238 F239 K242I203-T207 VanDerWaalsContact O-CB 3.26Å; I203-T207 WeakPolarHBondContact O-CB 3.3Å; I203-T207 PolarHBondContact O-N 2.71Å; I203-T207 PolarHBondContact O-OG1 2.95Å; S204-T207 WeakPolarHBondContact O-CB 3.45Å; S204-T207 PolarHBondContact O-N 2.97Å; M205-T207 PolarHBondContact O-N 3.23Å; T207-V209 VanDerWaalsContact C-N 3.31Å; T207-V209 PolarHBondContact O-N 3.1Å; T207-I210 PolarHBondContact O-N 3.12Å; T207-I211 HydrophobicContact CG2-CD1 3.86Å; T207-I211 HydrophobicContact CG2-CG1 4.48Å; T207-I211 WeakPolarHBondContact O-CG1 3.41Å; T207-I211 PolarHBondContact O-N 3.3Å; T207-V238 HydrophobicContact CG2-CG1 4.43Å; T207-F239 HydrophobicContact CG2-CB 4.33Å; T207-F239 HydrophobicContact CG2-CD2 3.96Å; T207-K242 HydrophobicContact CG2-CB 3.82Å; T207-K242 HydrophobicContact CG2-CD 3.8Å; T207-K242 HydrophobicContact CG2-CG 3.84Å
208D93.2Very high93.2Very high17 Ų1718.9 Ų18.99%0.0919%0.092CC..Hα-helixtrans-60.6-42.8174.5-69-38.2000111.5S204 M205 I210 I211 D212 K242S204-D208 PolarHBondContact O-N 3.28Å; M205-D208 WeakPolarHBondContact O-CB 3.5Å; M205-D208 PolarHBondContact O-N 3.46Å; D208-I210 VanDerWaalsContact C-N 3.33Å; D208-I210 PolarHBondContact O-N 3.37Å; D208-I211 PolarHBondContact O-N 3.14Å; D208-D212 WeakPolarHBondContact O-CB 3.15Å; D208-D212 PolarHBondContact O-N 3.4Å; D208-K242 WeakPolarHBondContact OD1-CD 3.45Å; D208-K242 WeakPolarHBondContact OD1-CE 3.14Å; D208-K242 IonicContact OD1-NZ 2.88Å; D208-K242 PolarHBondContact OD1-NZ 2.85Å; D208-K242 IonicContact OD2-NZ 2.63Å; D208-K242 PolarHBondContact OD2-NZ 2.92Å
209V95.5Very high92.9Very high0 Ų019.3 Ų19.30%09%0.093CC..Hα-helixtrans-60.3-45.7177.6-173.20000110.7M205 T206 T207 I211 D212 L213 V348 F487 I489 Y505M205-V209 WeakPolarHBondContact O-CG2 3.23Å; M205-V209 PolarHBondContact O-N 3.43Å; T206-V209 WeakPolarHBondContact O-CB 3.13Å; T206-V209 PolarHBondContact O-N 3.42Å; T207-V209 VanDerWaalsContact C-N 3.31Å; T207-V209 PolarHBondContact O-N 3.1Å; V209-I211 PolarHBondContact O-N 3.34Å; V209-D212 PolarHBondContact O-N 2.9Å; V209-L213 WeakPolarHBondContact O-CB 3.42Å; V209-L213 PolarHBondContact O-N 2.77Å; V209-V348 HydrophobicContact CB-CG1 3.92Å; V209-V348 HydrophobicContact CG1-CG1 3.65Å; V209-F487 HydrophobicContact CG2-CB 4.21Å; V209-F487 HydrophobicContact CG2-CD1 4.19Å; V209-F487 HydrophobicContact CG2-CD2 3.46Å; V209-F487 VanDerWaalsContact CG2-CD2 3.46Å; V209-F487 HydrophobicContact CG2-CE1 4.44Å; V209-F487 HydrophobicContact CG2-CE2 3.74Å; V209-F487 HydrophobicContact CG2-CG 3.7Å; V209-F487 HydrophobicContact CG2-CZ 4.23Å; V209-I489 HydrophobicContact CG1-CD1 3.77Å; V209-I489 HydrophobicContact CG1-CG1 4.34Å; V209-Y505 HydrophobicContact CG1-CD2 4.21Å; V209-Y505 HydrophobicContact CG1-CG 4.13Å; V209-Y505 HydrophobicContact CG2-CD1 3.59Å; V209-Y505 HydrophobicContact CG2-CD2 4.41Å; V209-Y505 HydrophobicContact CG2-CE1 3.58Å; V209-Y505 HydrophobicContact CG2-CE2 4.38Å; V209-Y505 HydrophobicContact CG2-CG 4.02Å
210I95.4Very high92.6Very high0 Ų022 Ų220%011%0.105CC..Hα-helixtrans-59.8-48.6177.3-65.3169.5000109.8T206 T207 D208 D212 L213 L214 F239 I284 L286 T315 V348T206-I210 WeakPolarHBondContact O-CG1 3.37Å; T206-I210 PolarHBondContact O-N 2.97Å; T206-I210 VanDerWaalsContact O-N 3.08Å; T207-I210 PolarHBondContact O-N 3.12Å; D208-I210 VanDerWaalsContact C-N 3.33Å; D208-I210 PolarHBondContact O-N 3.37Å; I210-D212 PolarHBondContact O-N 3.36Å; I210-L213 WeakPolarHBondContact O-CB 3.24Å; I210-L213 PolarHBondContact O-N 2.71Å; I210-L214 HydrophobicContact CG2-CD1 4.21Å; I210-L214 HydrophobicContact CG2-CG 4.41Å; I210-L214 VanDerWaalsContact O-CG 3.27Å; I210-L214 WeakPolarHBondContact O-CG 3.42Å; I210-L214 PolarHBondContact O-N 3.31Å; I210-F239 HydrophobicContact CG2-CE2 3.91Å; I210-I284 HydrophobicContact CD1-CG2 4.43Å; I210-I284 HydrophobicContact CG2-CD1 4.06Å; I210-I284 HydrophobicContact CG2-CG2 4.39Å; I210-L286 HydrophobicContact CD1-CD2 4.37Å; I210-T315 HydrophobicContact CD1-CG2 3.88Å; I210-V348 HydrophobicContact CG1-CG2 4.25Å
211I94Very high92.5Very high0 Ų022.2 Ų22.20%011%0.105CC..Hα-helixtrans-63.1-44.5-178.9-68.1170.9000111.2T207 D208 V209 L213 L214 R215 F239 K242 L243 F246 I250T207-I211 HydrophobicContact CG2-CD1 3.86Å; T207-I211 HydrophobicContact CG2-CG1 4.48Å; T207-I211 WeakPolarHBondContact O-CG1 3.41Å; T207-I211 PolarHBondContact O-N 3.3Å; D208-I211 PolarHBondContact O-N 3.14Å; V209-I211 PolarHBondContact O-N 3.34Å; I211-L213 VanDerWaalsContact C-N 3.3Å; I211-L213 PolarHBondContact O-N 2.96Å; I211-L214 PolarHBondContact O-N 3.09Å; I211-R215 HydrophobicContact CG2-CG 4.46Å; I211-R215 VanDerWaalsContact O-CG 3.22Å; I211-R215 WeakPolarHBondContact O-CG 3.2Å; I211-R215 PolarHBondContact O-N 3.05Å; I211-F239 HydrophobicContact CG1-CE2 4.12Å; I211-K242 HydrophobicContact CD1-CB 3.47Å; I211-K242 VanDerWaalsContact CD1-CB 3.47Å; I211-L243 HydrophobicContact CD1-CD2 3.87Å; I211-L243 HydrophobicContact CD1-CG 4.12Å; I211-L243 HydrophobicContact CG1-CD2 3.8Å; I211-L243 HydrophobicContact CG1-CG 4.42Å; I211-L243 HydrophobicContact CG2-CD2 4.44Å; I211-F246 HydrophobicContact CB-CE2 4.39Å; I211-F246 HydrophobicContact CD1-CD2 4.31Å; I211-F246 HydrophobicContact CD1-CE2 3.93Å; I211-F246 HydrophobicContact CG2-CD2 3.8Å; I211-F246 HydrophobicContact CG2-CE2 3.63Å; I211-F246 HydrophobicContact CG2-CG 4.49Å; I211-F246 HydrophobicContact CG2-CZ 4.17Å; I211-I250 HydrophobicContact CG2-CD1 4.08Å
212D93Very high92.5Very high13 Ų1322 Ų227%0.0710%0.104CC..Hα-helixtrans-66.3-33.7177.6-83.1-10000112.2D208 V209 I210 R215 K216 Y505 R512 F513D208-D212 WeakPolarHBondContact O-CB 3.15Å; D208-D212 PolarHBondContact O-N 3.4Å; V209-D212 PolarHBondContact O-N 2.9Å; I210-D212 PolarHBondContact O-N 3.36Å; D212-R215 PolarHBondContact O-N 2.72Å; D212-R215 IonicContact OD1-CZ 3.1Å; D212-R215 IonicContact OD1-NH1 3.2Å; D212-R215 PolarHBondContact OD1-NH1 3.42Å; D212-K216 VanDerWaalsContact O-CB 3.25Å; D212-K216 WeakPolarHBondContact O-CB 3.22Å; D212-K216 PolarHBondContact O-N 2.87Å; D212-Y505 HydrophobicContact CB-CE2 4.19Å; D212-Y505 PolarHBondContact OD2-OH 2.98Å; D212-R512 IonicContact OD1-NH1 3.69Å; D212-R512 WeakPolarHBondContact OD2-CD 3.14Å; D212-R512 IonicContact OD2-CZ 3.52Å; D212-R512 IonicContact OD2-NE 2.7Å; D212-R512 IonicContact OD2-NH1 3.18Å; D212-R512 PolarHBondContact OD2-NH1 3.17Å; D212-F513 HydrophobicContact CB-CE2 3.95Å; D212-F513 HydrophobicContact CB-CZ 4.18Å
213L93.2Very high92.7Very high1 Ų121.9 Ų21.91%0.00510%0.103CC..Hα-helixtrans-64-48.4172-172.773.7000111V209 I210 I211 R215 K216 Y217 W219 I313 I346 V348 I489 F513V209-L213 WeakPolarHBondContact O-CB 3.42Å; V209-L213 PolarHBondContact O-N 2.77Å; I210-L213 WeakPolarHBondContact O-CB 3.24Å; I210-L213 PolarHBondContact O-N 2.71Å; I211-L213 VanDerWaalsContact C-N 3.3Å; I211-L213 PolarHBondContact O-N 2.96Å; L213-R215 VanDerWaalsContact C-N 3.26Å; L213-R215 PolarHBondContact O-N 3.12Å; L213-K216 PolarHBondContact O-N 2.77Å; L213-Y217 HydrophobicContact CD1-CD2 3.88Å; L213-Y217 HydrophobicContact CD1-CE2 3.57Å; L213-Y217 HydrophobicContact CG-CD2 4.27Å; L213-Y217 HydrophobicContact CG-CE2 4.43Å; L213-Y217 WeakPolarHBondContact O-CD2 3.31Å; L213-Y217 PolarHBondContact O-N 2.83Å; L213-W219 HydrophobicContact CG-CZ3 4.39Å; L213-I313 HydrophobicContact CD2-CD1 4.26Å; L213-I346 HydrophobicContact CD2-CD1 4.38Å; L213-I346 HydrophobicContact CD2-CG2 4Å; L213-V348 HydrophobicContact CD2-CG2 4.46Å; L213-I489 HydrophobicContact CD1-CD1 4.22Å; L213-F513 HydrophobicContact CB-CZ 4.4Å; L213-F513 HydrophobicContact CD1-CE1 4.47Å; L213-F513 HydrophobicContact CD1-CZ 4.42Å
214L93.2Very high92.9Very high0 Ų021.8 Ų21.80%010%0.103CC..Hα-helixtrans-57.7-41176.4-66.1174.5000111.3I210 I211 N218 W219 V222 F239 I250 V282 I284 I313I210-L214 HydrophobicContact CG2-CD1 4.21Å; I210-L214 HydrophobicContact CG2-CG 4.41Å; I210-L214 VanDerWaalsContact O-CG 3.27Å; I210-L214 WeakPolarHBondContact O-CG 3.42Å; I210-L214 PolarHBondContact O-N 3.31Å; I211-L214 PolarHBondContact O-N 3.09Å; L214-N218 PolarHBondContact O-N 3.4Å; L214-N218 VanDerWaalsContact O-N 3.08Å; L214-W219 HydrophobicContact CD2-CB 3.92Å; L214-W219 HydrophobicContact CD2-CE3 4.05Å; L214-W219 PolarHBondContact O-N 3.39Å; L214-V222 HydrophobicContact CD1-CG1 4.1Å; L214-V222 HydrophobicContact CD2-CG1 3.72Å; L214-F239 HydrophobicContact CD1-CZ 4.34Å; L214-I250 HydrophobicContact CB-CD1 3.85Å; L214-I250 HydrophobicContact CD1-CD1 3.98Å; L214-I250 HydrophobicContact CD1-CG2 4.13Å; L214-V282 HydrophobicContact CD2-CG1 4.1Å; L214-I284 HydrophobicContact CD1-CD1 3.9Å; L214-I313 HydrophobicContact CD2-CD1 4Å
215R90.2Very high93.1Very high78 Ų7820.4 Ų20.429%0.2949%0.093SC..Hα-helixtrans-69.6-42.9178-68.216869-1452.7112.4I211 D212 L213 Y217 N218 I250I211-R215 HydrophobicContact CG2-CG 4.46Å; I211-R215 VanDerWaalsContact O-CG 3.22Å; I211-R215 WeakPolarHBondContact O-CG 3.2Å; I211-R215 PolarHBondContact O-N 3.05Å; D212-R215 PolarHBondContact O-N 2.72Å; D212-R215 IonicContact OD1-CZ 3.1Å; D212-R215 IonicContact OD1-NH1 3.2Å; D212-R215 PolarHBondContact OD1-NH1 3.42Å; L213-R215 VanDerWaalsContact C-N 3.26Å; L213-R215 PolarHBondContact O-N 3.12Å; R215-Y217 PolarHBondContact O-N 2.68Å; R215-N218 PolarHBondContact O-N 2.91Å; R215-I250 HydrophobicContact CG-CD1 4.14Å
216K89.1Confident93.1Very high104 Ų10419.7 Ų19.745%0.4529%0.09SC..Hα-helixtrans-56.1-40.7178-178.586.1-177.4-170.30111.3D212 L213 F513 I516D212-K216 VanDerWaalsContact O-CB 3.25Å; D212-K216 WeakPolarHBondContact O-CB 3.22Å; D212-K216 PolarHBondContact O-N 2.87Å; L213-K216 PolarHBondContact O-N 2.77Å; K216-F513 HydrophobicContact CB-CE2 4.3Å; K216-F513 HydrophobicContact CD-CD2 4.22Å; K216-F513 HydrophobicContact CD-CE2 4.42Å; K216-I516 HydrophobicContact CD-CD1 4.47Å; K216-I516 VanDerWaalsContact CE-CD1 3.4Å
217Y89.8Confident93Very high18 Ų1819.5 Ų19.57%0.0719%0.089CC..THydrogen-bonded Turntrans-100.98.9-177.3-67.4-81.1000114.6L213 R215 W219 S521 I524 Q525L213-Y217 HydrophobicContact CD1-CD2 3.88Å; L213-Y217 HydrophobicContact CD1-CE2 3.57Å; L213-Y217 HydrophobicContact CG-CD2 4.27Å; L213-Y217 HydrophobicContact CG-CE2 4.43Å; L213-Y217 WeakPolarHBondContact O-CD2 3.31Å; L213-Y217 PolarHBondContact O-N 2.83Å; R215-Y217 PolarHBondContact O-N 2.68Å; Y217-W219 VanDerWaalsContact C-N 3.3Å; Y217-W219 HydrophobicContact CD1-CH2 4.41Å; Y217-W219 HydrophobicContact CD1-CZ2 4.35Å; Y217-W219 AromaticContact CD2-CH2 3.95Å; Y217-W219 HydrophobicContact CD2-CH2 3.95Å; Y217-W219 AromaticContact CD2-CZ3 3.99Å; Y217-W219 HydrophobicContact CD2-CZ3 3.99Å; Y217-W219 AromaticContact CG-CH2 3.82Å; Y217-W219 HydrophobicContact CG-CH2 3.82Å; Y217-W219 AromaticContact CG-CZ2 3.97Å; Y217-W219 HydrophobicContact CG-CZ2 3.97Å; Y217-W219 HydrophobicContact CG-CZ3 4.13Å; Y217-W219 PolarHBondContact O-N 3.42Å; Y217-S521 PolarHBondContact OH-OG 2.83Å; Y217-I524 HydrophobicContact CE1-CG2 4.4Å; Y217-Q525 HydrophobicContact CD1-CG 3.72Å; Y217-Q525 HydrophobicContact CE1-CG 3.93Å
218N88Confident92.7Very high102 Ų10221.8 Ų21.855%0.54510%0.104SC..THydrogen-bonded Turntrans57.433.9-179.6-60.3-52.8000114.9L214 R215 F220L214-N218 PolarHBondContact O-N 3.4Å; L214-N218 VanDerWaalsContact O-N 3.08Å; R215-N218 PolarHBondContact O-N 2.91Å; N218-F220 HydrophobicContact CB-CD2 4.33Å; N218-F220 HydrophobicContact CB-CE2 3.67Å; N218-F220 HydrophobicContact CB-CZ 4.26Å; N218-F220 WeakPolarHBondContact O-CD2 3.47Å; N218-F220 PolarHBondContact O-N 3.46Å
219W90.9Very high92.2Very high9 Ų922.4 Ų22.43%0.03411%0.11CC..  trans-87.884.8175.5-62.3-32.5000110.9L213 L214 Y217 V282 L311 I313 I346 I524 I528L213-W219 HydrophobicContact CG-CZ3 4.39Å; L214-W219 HydrophobicContact CD2-CB 3.92Å; L214-W219 HydrophobicContact CD2-CE3 4.05Å; L214-W219 PolarHBondContact O-N 3.39Å; Y217-W219 VanDerWaalsContact C-N 3.3Å; Y217-W219 HydrophobicContact CD1-CH2 4.41Å; Y217-W219 HydrophobicContact CD1-CZ2 4.35Å; Y217-W219 AromaticContact CD2-CH2 3.95Å; Y217-W219 HydrophobicContact CD2-CH2 3.95Å; Y217-W219 AromaticContact CD2-CZ3 3.99Å; Y217-W219 HydrophobicContact CD2-CZ3 3.99Å; Y217-W219 AromaticContact CG-CH2 3.82Å; Y217-W219 HydrophobicContact CG-CH2 3.82Å; Y217-W219 AromaticContact CG-CZ2 3.97Å; Y217-W219 HydrophobicContact CG-CZ2 3.97Å; Y217-W219 HydrophobicContact CG-CZ3 4.13Å; Y217-W219 PolarHBondContact O-N 3.42Å; W219-V282 HydrophobicContact CB-CG2 4.07Å; W219-V282 HydrophobicContact CD2-CG2 3.94Å; W219-V282 HydrophobicContact CE3-CG2 4.45Å; W219-V282 HydrophobicContact CG-CG2 3.76Å; W219-L311 HydrophobicContact CD2-CD2 4.31Å; W219-L311 HydrophobicContact CE3-CD2 3.95Å; W219-L311 HydrophobicContact CH2-CD2 3.31Å; W219-L311 HydrophobicContact CZ2-CD2 3.7Å; W219-L311 HydrophobicContact CZ3-CD2 3.44Å; W219-L311 VanDerWaalsContact CZ3-CD2 3.44Å; W219-I313 HydrophobicContact CE3-CD1 4.34Å; W219-I313 HydrophobicContact CZ3-CD1 4.23Å; W219-I346 HydrophobicContact CH2-CD1 4.04Å; W219-I346 HydrophobicContact CZ3-CD1 4.25Å; W219-I524 HydrophobicContact CH2-CG2 3.9Å; W219-I524 HydrophobicContact CZ2-CG2 3.89Å; W219-I528 HydrophobicContact CH2-CD1 4.33Å; W219-I528 HydrophobicContact CZ2-CB 4.49Å; W219-I528 HydrophobicContact CZ2-CD1 3.9Å; W219-I528 HydrophobicContact CZ2-CG2 4.26Å
220F89.6Confident91.5Very high59 Ų5928.4 Ų28.426%0.25914%0.138SC..  trans-91.5-4.5-173.9-61.5-65.7000114.8N218 I250 C251 S531 V532N218-F220 HydrophobicContact CB-CD2 4.33Å; N218-F220 HydrophobicContact CB-CE2 3.67Å; N218-F220 HydrophobicContact CB-CZ 4.26Å; N218-F220 WeakPolarHBondContact O-CD2 3.47Å; N218-F220 PolarHBondContact O-N 3.46Å; F220-I250 HydrophobicContact CD1-CG1 4.09Å; F220-C251 WeakPolarHBondContact O-CB 3.27Å; F220-C251 PolarHBondContact O-N 2.94Å; F220-S531 PolarHBondContact N-O 2.96Å; F220-V532 HydrophobicContact CD2-CG1 4.47Å
221Y91.4Very high90.9Very high8 Ų830.9 Ų30.93%0.03115%0.15CC..EExtended strand (participates in β ladder)trans-130.9113.6178-162.7-138000109.8C251 A253 P279 A280 S531 C533Y221-C251 WeakPolarHBondContact CA-O 3.45Å; Y221-C251 HydrophobicContact CD2-CB 3.42Å; Y221-C251 VanDerWaalsContact CD2-CB 3.42Å; Y221-C251 HydrophobicContact CE2-CB 3.97Å; Y221-C251 HydrophobicContact CG-CB 4.48Å; Y221-A253 HydrophobicContact CD1-CB 3.94Å; Y221-A253 HydrophobicContact CD2-CB 3.8Å; Y221-A253 HydrophobicContact CE1-CB 3.47Å; Y221-A253 VanDerWaalsContact CE1-CB 3.47Å; Y221-A253 HydrophobicContact CE2-CB 3.38Å; Y221-A253 HydrophobicContact CG-CB 4.1Å; Y221-P279 HydrophobicContact CE1-CB 3.98Å; Y221-P279 HydrophobicContact CE1-CG 3.88Å; Y221-A280 HydrophobicContact CD1-CB 3.72Å; Y221-A280 HydrophobicContact CE1-CB 4.22Å; Y221-A280 HydrophobicContact CG-CB 4.16Å; Y221-A280 WeakPolarHBondContact O-CB 3.27Å; Y221-S531 VanDerWaalsContact CB-O 3.3Å; Y221-S531 WeakPolarHBondContact CB-O 3.32Å; Y221-S531 PolarHBondContact N-O 3.48Å; Y221-S531 WeakPolarHBondContact O-CB 3.49Å; Y221-S531 PolarHBondContact O-OG 2.86Å; Y221-C533 HydrophobicContact CD1-CB 3.95Å; Y221-C533 HydrophobicContact CD2-CB 3.71Å; Y221-C533 HydrophobicContact CE1-CB 4.01Å; Y221-C533 HydrophobicContact CE2-CB 3.74Å; Y221-C533 HydrophobicContact CG-CB 3.8Å; Y221-C533 VanDerWaalsContact CZ-SG 3.59Å
222V94.8Very high90.6Very high0 Ų030.9 Ų30.90%015%0.15CC..EExtended strand (participates in β ladder)trans-130.3148.4-170.6-56.80000111.3L214 I250 C251 I252 A253 V282 I284L214-V222 HydrophobicContact CD1-CG1 4.1Å; L214-V222 HydrophobicContact CD2-CG1 3.72Å; V222-I250 HydrophobicContact CG1-CG2 4.42Å; V222-I250 HydrophobicContact CG2-CG2 4.13Å; V222-C251 PolarHBondContact N-O 2.93Å; V222-I252 HydrophobicContact CG2-CD1 3.62Å; V222-I252 CarbonylContact O-C 3.47Å; V222-I252 WeakPolarHBondContact O-CA 3.39Å; V222-A253 PolarHBondContact O-N 3.38Å; V222-V282 CarbonylContact C-O 3.52Å; V222-V282 WeakPolarHBondContact CA-O 3.48Å; V222-V282 HydrophobicContact CG1-CB 4.12Å; V222-V282 HydrophobicContact CG1-CG1 4.07Å; V222-I284 HydrophobicContact CB-CD1 4.06Å; V222-I284 HydrophobicContact CB-CG1 4.47Å; V222-I284 HydrophobicContact CG1-CD1 4.35Å; V222-I284 HydrophobicContact CG2-CD1 3.82Å
223N96.2Very high90.5Very high0 Ų033.4 Ų33.40%016%0.161CC..EExtended strand (participates in β ladder)trans-92147.5162.9-55.9-55.5000109A253 K254 L275 S278 A280 V282 N283 I284N223-A253 WeakPolarHBondContact OD1-CB 3.35Å; N223-K254 CarbonylContact C-O 3.55Å; N223-K254 WeakPolarHBondContact CA-O 3.43Å; N223-K254 PolarHBondContact OD1-N 3.25Å; N223-L275 HydrophobicContact CB-CD2 3.68Å; N223-S278 PolarHBondContact ND2-OG 3.49Å; N223-S278 VanDerWaalsContact OD1-CB 3.29Å; N223-S278 WeakPolarHBondContact OD1-CB 3.34Å; N223-S278 PolarHBondContact OD1-OG 2.87Å; N223-A280 PolarHBondContact ND2-O 3.34Å; N223-V282 PolarHBondContact N-O 3.16Å; N223-N283 VanDerWaalsContact CB-OD1 3.3Å; N223-N283 WeakPolarHBondContact CB-OD1 3.32Å; N223-N283 PolarHBondContact ND2-OD1 2.69Å; N223-N283 CarbonylContact O-C 3.58Å; N223-N283 WeakPolarHBondContact O-CA 3.25Å; N223-I284 PolarHBondContact O-N 3.07Å
224V96.8Very high90.4Very high0 Ų034.6 Ų34.60%017%0.169CC..EExtended strand (participates in β ladder)trans-118.9124.9171.8-173.50000108.7L226 Y236 F239 I252 K254 N255 V256 I284 L286V224-L226 HydrophobicContact CG1-CD2 4.41Å; V224-Y236 HydrophobicContact CB-CD2 4.34Å; V224-Y236 HydrophobicContact CB-CE2 4.19Å; V224-Y236 HydrophobicContact CG1-CD2 3.81Å; V224-Y236 HydrophobicContact CG1-CE2 4.17Å; V224-Y236 HydrophobicContact CG2-CE2 4.4Å; V224-F239 HydrophobicContact CG2-CD1 4.29Å; V224-F239 HydrophobicContact CG2-CE1 3.8Å; V224-I252 HydrophobicContact CG2-CD1 3.91Å; V224-I252 HydrophobicContact CG2-CG2 4.23Å; V224-K254 PolarHBondContact N-O 3.36Å; V224-N255 CarbonylContact O-C 3.56Å; V224-N255 WeakPolarHBondContact O-CA 3.27Å; V224-V256 PolarHBondContact O-N 2.83Å; V224-I284 CarbonylContact C-O 3.47Å; V224-I284 WeakPolarHBondContact CA-O 3.43Å; V224-L286 HydrophobicContact CG1-CD1 3.94Å; V224-L286 HydrophobicContact CG1-CG 4.28Å
225V97Very high90.3Very high0 Ų034.7 Ų34.70%017%0.17CC..EExtended strand (participates in β ladder)trans-106.4119.3172.3-175.50000106.8V256 L258 L272 L275 I284 L285 L286 V287 W312V225-V256 WeakPolarHBondContact CA-O 3.29Å; V225-V256 HydrophobicContact CG2-CB 4.36Å; V225-L258 HydrophobicContact CG1-CD1 3.76Å; V225-L258 HydrophobicContact CG1-CD2 4.38Å; V225-L258 HydrophobicContact CG1-CG 3.96Å; V225-L272 HydrophobicContact CG1-CD2 3.94Å; V225-L272 HydrophobicContact CG2-CD2 4.45Å; V225-L275 HydrophobicContact CG2-CD1 3.81Å; V225-L275 HydrophobicContact CG2-CD2 4.28Å; V225-I284 PolarHBondContact N-O 3.01Å; V225-L285 HydrophobicContact CB-CD2 4.47Å; V225-L285 WeakPolarHBondContact O-CA 3.29Å; V225-L286 PolarHBondContact O-N 3.48Å; V225-V287 HydrophobicContact CG1-CG1 4.46Å; V225-W312 HydrophobicContact CG2-CZ3 4.36Å
226L95.3Very high90.5Very high0 Ų032.4 Ų32.40%016%0.161CC..EExtended strand (participates in β ladder)trans-129.6160.2176.865.2151.5000108.9V224 E233 Y236 N255 V256 R257 L258 L286V224-L226 HydrophobicContact CG1-CD2 4.41Å; L226-E233 HydrophobicContact CD1-CG 4.39Å; L226-Y236 HydrophobicContact CD1-CG 4.13Å; L226-Y236 HydrophobicContact CD2-CD2 4.19Å; L226-Y236 HydrophobicContact CD2-CG 4.44Å; L226-N255 HydrophobicContact CD2-CB 4.48Å; L226-V256 PolarHBondContact N-O 2.9Å; L226-V256 VanDerWaalsContact O-O 3.09Å; L226-R257 HydrophobicContact CD1-CG 4.12Å; L226-R257 HydrophobicContact CD2-CG 3.95Å; L226-R257 HydrophobicContact CG-CG 3.95Å; L226-R257 CarbonylContact O-C 3.49Å; L226-R257 VanDerWaalsContact O-CA 3.32Å; L226-R257 WeakPolarHBondContact O-CA 3.37Å; L226-L258 PolarHBondContact O-N 3.14Å; L226-L286 WeakPolarHBondContact CA-O 3.24Å; L226-L286 HydrophobicContact CB-CB 4.45Å
227D91.1Very high90.7Very high0 Ų029.1 Ų29.10%016%0.157CC..EExtended strand (participates in β ladder)trans-96.9157.1170.875.673000110.6S229 G232 L258 T260 V287 T288 T291D227-S229 PolarHBondContact O-N 3.31Å; D227-S229 WeakPolarHBondContact OD1-CA 3.31Å; D227-S229 WeakPolarHBondContact OD1-CB 3.29Å; D227-S229 PolarHBondContact OD1-N 3.47Å; D227-S229 PolarHBondContact OD1-OG 2.97Å; D227-G232 WeakPolarHBondContact O-CA 3.42Å; D227-L258 CarbonylContact C-O 3.57Å; D227-L258 WeakPolarHBondContact CA-O 3.23Å; D227-L258 HydrophobicContact CB-CB 4.44Å; D227-T260 HydrophobicContact CB-CG2 3.63Å; D227-V287 HydrophobicContact CB-CG1 4.21Å; D227-V287 WeakPolarHBondContact OD2-CA 3.18Å; D227-T288 WeakPolarHBondContact OD2-CG2 3.41Å; D227-T288 PolarHBondContact OD2-N 3.45Å; D227-T288 PolarHBondContact OD2-OG1 3.32Å; D227-T291 HydrophobicContact CB-CG2 3.71Å
228S88.5Confident90.9Very high48 Ų4828.8 Ų28.834%0.33616%0.157SC..SBendtrans-77.16.3-174.965.70000113.8L258 I259 T260S228-L258 PolarHBondContact N-O 2.74Å; S228-L258 PolarHBondContact OG-O 3.28Å; S228-I259 WeakPolarHBondContact OG-CA 3.3Å; S228-T260 PolarHBondContact OG-N 2.82Å; S228-T260 VanDerWaalsContact OG-N 3.11Å; S228-T260 PolarHBondContact OG-OG1 3.39Å
229S83.4Confident91.1Very high30 Ų3023.9 Ų23.921%0.2113%0.131CC..SBendtrans-70.3163.1173.374.20000110.8D227 H231 G232 E233D227-S229 PolarHBondContact O-N 3.31Å; D227-S229 WeakPolarHBondContact OD1-CA 3.31Å; D227-S229 WeakPolarHBondContact OD1-CB 3.29Å; D227-S229 PolarHBondContact OD1-N 3.47Å; D227-S229 PolarHBondContact OD1-OG 2.97Å; S229-H231 PolarHBondContact O-N 3.3Å; S229-H231 WeakPolarHBondContact OG-CB 3.08Å; S229-H231 PolarHBondContact OG-N 2.79Å; S229-G232 PolarHBondContact O-N 3.06Å; S229-G232 VanDerWaalsContact O-N 3.16Å; S229-G232 PolarHBondContact OG-N 3.34Å; S229-E233 PolarHBondContact O-N 2.83Å
230E81Confident91.2Very high127 Ų12725.8 Ų25.859%0.59314%0.141SC*.Hα-helixtrans-55.4-34.2171-172.3178.3172.200111.7Q186 S234Q186-E230 PolarHBondContact NE2-OE1 3.12Å; E230-S234 WeakPolarHBondContact O-CB 3.5Å; E230-S234 PolarHBondContact O-N 3.41Å
231H83Confident91.3Very high52 Ų5230 Ų3024%0.24116%0.161CC..Hα-helixtrans-63-50.1176.1-176.877.9000111.9S229 N235 T288S229-H231 PolarHBondContact O-N 3.3Å; S229-H231 WeakPolarHBondContact OG-CB 3.08Å; S229-H231 PolarHBondContact OG-N 2.79Å; H231-N235 PolarHBondContact CD2-ND2 3.16Å; H231-N235 PolarHBondContact CE1-ND2 3.43Å; H231-N235 PolarHBondContact NE2-ND2 3.33Å; H231-N235 WeakPolarHBondContact O-CB 3.46Å; H231-N235 PolarHBondContact O-N 3.08Å; H231-N235 PolarHBondContact O-ND2 3.01Å; H231-N235 PolarHBondContact O-OD1 3.04Å; H231-T288 HydrophobicContact CB-CG2 3.93Å
232G88Confident91.3Very high0 Ų031.5 Ų31.50%017%0.168CC..Hα-helixtrans-63.6-45.9179.700000113D227 S229 Y236D227-G232 WeakPolarHBondContact O-CA 3.42Å; S229-G232 PolarHBondContact O-N 3.06Å; S229-G232 VanDerWaalsContact O-N 3.16Å; S229-G232 PolarHBondContact OG-N 3.34Å; G232-Y236 WeakPolarHBondContact O-CB 3.34Å; G232-Y236 PolarHBondContact O-N 3.04Å
233E91.1Very high91Very high65 Ų6532.1 Ų32.130%0.30417%0.171SC..Hα-helixtrans-68.2-39.3179-67.3-65.7160.300112.4L226 S229 Y236 G237 R257L226-E233 HydrophobicContact CD1-CG 4.39Å; S229-E233 PolarHBondContact O-N 2.83Å; E233-Y236 PolarHBondContact O-N 2.95Å; E233-G237 PolarHBondContact O-N 3.27Å; E233-R257 VanDerWaalsContact OE1-CD 3.23Å; E233-R257 WeakPolarHBondContact OE1-CD 3.1Å; E233-R257 IonicContact OE1-CZ 2.71Å; E233-R257 IonicContact OE1-NE 3.89Å; E233-R257 PolarHBondContact OE1-NE 3.27Å; E233-R257 IonicContact OE1-NH2 3.78Å; E233-R257 IonicContact OE2-CZ 3.84Å; E233-R257 IonicContact OE2-NE 3.92Å; E233-R257 PolarHBondContact OE2-NE 3.41Å; E233-R257 IonicContact OE2-NH2 2.84Å; E233-R257 PolarHBondContact OE2-NH2 2.89Å
234S89.4Confident90.4Very high26 Ų2638.2 Ų38.218%0.18220%0.204CC..Hα-helixtrans-65.2-45.1177.2-178.60000111.5E230 Y236 G237 V238E230-S234 WeakPolarHBondContact O-CB 3.5Å; E230-S234 PolarHBondContact O-N 3.41Å; S234-Y236 VanDerWaalsContact C-N 3.31Å; S234-Y236 PolarHBondContact O-N 2.96Å; S234-G237 PolarHBondContact O-N 3.49Å; S234-G237 VanDerWaalsContact O-N 3.15Å; S234-V238 WeakPolarHBondContact O-CG2 3.3Å; S234-V238 PolarHBondContact O-N 3.1Å
235N91.8Very high89.7Confident2 Ų241.5 Ų41.51%0.01124%0.237CC..Hα-helixtrans-62-40.6177-67.4-9.1000111.4I203 H231 V238 F239 L286I203-N235 HydrophobicContact CG1-CB 4.17Å; I203-N235 WeakPolarHBondContact CG1-OD1 3.2Å; H231-N235 PolarHBondContact CD2-ND2 3.16Å; H231-N235 PolarHBondContact CE1-ND2 3.43Å; H231-N235 PolarHBondContact NE2-ND2 3.33Å; H231-N235 WeakPolarHBondContact O-CB 3.46Å; H231-N235 PolarHBondContact O-N 3.08Å; H231-N235 PolarHBondContact O-ND2 3.01Å; H231-N235 PolarHBondContact O-OD1 3.04Å; N235-V238 PolarHBondContact O-N 3.33Å; N235-F239 WeakPolarHBondContact O-CB 3.27Å; N235-F239 PolarHBondContact O-N 3.09Å; N235-L286 HydrophobicContact CB-CB 4.42Å
236Y94.1Very high88.5Confident30 Ų3044.5 Ų44.512%0.11825%0.251CS..Hα-helixtrans-63.8-40.1174178.2-100.8000112.3V224 L226 G232 E233 S234 F239 M240 N255V224-Y236 HydrophobicContact CB-CD2 4.34Å; V224-Y236 HydrophobicContact CB-CE2 4.19Å; V224-Y236 HydrophobicContact CG1-CD2 3.81Å; V224-Y236 HydrophobicContact CG1-CE2 4.17Å; V224-Y236 HydrophobicContact CG2-CE2 4.4Å; L226-Y236 HydrophobicContact CD1-CG 4.13Å; L226-Y236 HydrophobicContact CD2-CD2 4.19Å; L226-Y236 HydrophobicContact CD2-CG 4.44Å; G232-Y236 WeakPolarHBondContact O-CB 3.34Å; G232-Y236 PolarHBondContact O-N 3.04Å; E233-Y236 PolarHBondContact O-N 2.95Å; S234-Y236 VanDerWaalsContact C-N 3.31Å; S234-Y236 PolarHBondContact O-N 2.96Å; Y236-F239 WeakPolarHBondContact O-CB 3.44Å; Y236-F239 PolarHBondContact O-N 3.35Å; Y236-M240 HydrophobicContact CD1-CG 4.13Å; Y236-M240 HydrophobicContact CD2-CG 4.38Å; Y236-M240 HydrophobicContact CE1-CG 3.66Å; Y236-M240 HydrophobicContact CE1-SD 4.49Å; Y236-M240 HydrophobicContact CE2-CG 3.98Å; Y236-M240 HydrophobicContact CE2-SD 4.05Å; Y236-M240 HydrophobicContact CG-CG 4.46Å; Y236-M240 WeakPolarHBondContact O-CG 3.37Å; Y236-M240 PolarHBondContact O-N 2.82Å; Y236-N255 HydrophobicContact CE2-CB 4.28Å; Y236-N255 PolarHBondContact OH-ND2 2.96Å
237G93.5Very high86.8Confident36 Ų3650.2 Ų50.237%0.37129%0.291SS..Hα-helixtrans-56.7-49.3174.100000112.4E233 S234 F239 M240 E241E233-G237 PolarHBondContact O-N 3.27Å; S234-G237 PolarHBondContact O-N 3.49Å; S234-G237 VanDerWaalsContact O-N 3.15Å; G237-F239 PolarHBondContact O-N 3.12Å; G237-M240 PolarHBondContact O-N 3.4Å; G237-E241 WeakPolarHBondContact O-CB 3.33Å; G237-E241 PolarHBondContact O-N 2.66Å
238V93.3Very high85.5Confident10 Ų1054.4 Ų54.46%0.06131%0.31CS..Hα-helixtrans-61.6-44.2176.3176.10000111.2S185 I203 T207 S234 N235 M240 E241 K242S185-V238 WeakPolarHBondContact OG-CG2 3.31Å; I203-V238 HydrophobicContact CG2-CG2 4.42Å; T207-V238 HydrophobicContact CG2-CG1 4.43Å; S234-V238 WeakPolarHBondContact O-CG2 3.3Å; S234-V238 PolarHBondContact O-N 3.1Å; N235-V238 PolarHBondContact O-N 3.33Å; V238-M240 VanDerWaalsContact C-N 3.33Å; V238-M240 PolarHBondContact O-N 3Å; V238-E241 PolarHBondContact O-N 3.1Å; V238-K242 HydrophobicContact CG1-CG 4.42Å; V238-K242 WeakPolarHBondContact O-CG 3.43Å; V238-K242 PolarHBondContact O-N 2.87Å
239F94.1Very high84.8Confident0 Ų057.8 Ų57.80%032%0.323CS..Hα-helixtrans-57.1-46.7176.3-176.8-105.3000111.7T207 I210 I211 L214 V224 N235 Y236 G237 L243 I252 I284 L286T207-F239 HydrophobicContact CG2-CB 4.33Å; T207-F239 HydrophobicContact CG2-CD2 3.96Å; I210-F239 HydrophobicContact CG2-CE2 3.91Å; I211-F239 HydrophobicContact CG1-CE2 4.12Å; L214-F239 HydrophobicContact CD1-CZ 4.34Å; V224-F239 HydrophobicContact CG2-CD1 4.29Å; V224-F239 HydrophobicContact CG2-CE1 3.8Å; N235-F239 WeakPolarHBondContact O-CB 3.27Å; N235-F239 PolarHBondContact O-N 3.09Å; Y236-F239 WeakPolarHBondContact O-CB 3.44Å; Y236-F239 PolarHBondContact O-N 3.35Å; G237-F239 PolarHBondContact O-N 3.12Å; F239-L243 HydrophobicContact CD1-CD1 3.82Å; F239-L243 HydrophobicContact CD1-CG 4.45Å; F239-L243 HydrophobicContact CE1-CD1 3.35Å; F239-L243 HydrophobicContact CE1-CG 4.19Å; F239-L243 HydrophobicContact CE2-CD1 4.42Å; F239-L243 HydrophobicContact CE2-CG 4.48Å; F239-L243 HydrophobicContact CZ-CD1 3.66Å; F239-L243 HydrophobicContact CZ-CD2 4.46Å; F239-L243 HydrophobicContact CZ-CG 4.16Å; F239-L243 WeakPolarHBondContact O-CB 3.32Å; F239-L243 VanDerWaalsContact O-CG 3.27Å; F239-L243 WeakPolarHBondContact O-CG 3.47Å; F239-L243 PolarHBondContact O-N 3.17Å; F239-I252 HydrophobicContact CE1-CD1 3.72Å; F239-I284 HydrophobicContact CE1-CD1 4.13Å; F239-I284 HydrophobicContact CE2-CD1 3.94Å; F239-I284 HydrophobicContact CZ-CD1 3.4Å; F239-L286 HydrophobicContact CB-CD1 4.1Å; F239-L286 HydrophobicContact CG-CD1 4.33Å
240M92.2Very high85Confident49 Ų4957 Ų5724%0.24132%0.317CS..Hα-helixtrans-67.6-40.3178.2-70.3-56-55.200113.2Y236 G237 V238 L243 N244 I252Y236-M240 HydrophobicContact CD1-CG 4.13Å; Y236-M240 HydrophobicContact CD2-CG 4.38Å; Y236-M240 HydrophobicContact CE1-CG 3.66Å; Y236-M240 HydrophobicContact CE1-SD 4.49Å; Y236-M240 HydrophobicContact CE2-CG 3.98Å; Y236-M240 HydrophobicContact CE2-SD 4.05Å; Y236-M240 HydrophobicContact CG-CG 4.46Å; Y236-M240 WeakPolarHBondContact O-CG 3.37Å; Y236-M240 PolarHBondContact O-N 2.82Å; G237-M240 PolarHBondContact O-N 3.4Å; V238-M240 VanDerWaalsContact C-N 3.33Å; V238-M240 PolarHBondContact O-N 3Å; M240-L243 PolarHBondContact O-N 3.42Å; M240-L243 HydrophobicContact SD-CD1 4.37Å; M240-N244 VanDerWaalsContact O-CG 3.23Å; M240-N244 PolarHBondContact O-N 3.24Å; M240-N244 PolarHBondContact O-ND2 3.33Å; M240-N244 VanDerWaalsContact O-ND2 3.15Å; M240-I252 HydrophobicContact CE-CG1 4.35Å; M240-I252 HydrophobicContact SD-CD1 4.35Å; M240-I252 HydrophobicContact SD-CG1 3.77Å
241E91.3Very high85.3Confident147 Ų14751.5 Ų51.569%0.68729%0.292SS*.Hα-helixtrans-59.4-50175.8-176.1-174.8170.300110.9G237 V238 L243 N244 G245G237-E241 WeakPolarHBondContact O-CB 3.33Å; G237-E241 PolarHBondContact O-N 2.66Å; V238-E241 PolarHBondContact O-N 3.1Å; E241-L243 PolarHBondContact O-N 2.96Å; E241-N244 PolarHBondContact O-N 2.7Å; E241-G245 PolarHBondContact O-N 3.09Å
242K90.8Very high85.7Confident39 Ų3951 Ų5117%0.1729%0.29CS..Hα-helixtrans-62.8-44.2178.8-69-136.4171.6-176.80112.1S204 T207 D208 I211 V238 N244 G245 F246S204-K242 VanDerWaalsContact O-CE 3.32Å; S204-K242 WeakPolarHBondContact O-CE 3.26Å; S204-K242 PolarHBondContact O-NZ 3.45Å; S204-K242 WeakPolarHBondContact OG-CE 3.48Å; S204-K242 PolarHBondContact OG-NZ 3.24Å; T207-K242 HydrophobicContact CG2-CB 3.82Å; T207-K242 HydrophobicContact CG2-CD 3.8Å; T207-K242 HydrophobicContact CG2-CG 3.84Å; D208-K242 WeakPolarHBondContact OD1-CD 3.45Å; D208-K242 WeakPolarHBondContact OD1-CE 3.14Å; D208-K242 IonicContact OD1-NZ 2.88Å; D208-K242 PolarHBondContact OD1-NZ 2.85Å; D208-K242 IonicContact OD2-NZ 2.63Å; D208-K242 PolarHBondContact OD2-NZ 2.92Å; I211-K242 HydrophobicContact CD1-CB 3.47Å; I211-K242 VanDerWaalsContact CD1-CB 3.47Å; V238-K242 HydrophobicContact CG1-CG 4.42Å; V238-K242 WeakPolarHBondContact O-CG 3.43Å; V238-K242 PolarHBondContact O-N 2.87Å; K242-N244 VanDerWaalsContact C-N 3.3Å; K242-N244 PolarHBondContact O-N 3.44Å; K242-G245 PolarHBondContact O-N 3.16Å; K242-F246 WeakPolarHBondContact O-CD2 3.29Å
243L89.1Confident85.9Confident13 Ų1352.1 Ų52.17%0.06830%0.3CS..Hα-helixtrans-56.2-43.7175.9-80.6-175.4000112.6I211 F239 M240 E241 G245 F246 I250 I252I211-L243 HydrophobicContact CD1-CD2 3.87Å; I211-L243 HydrophobicContact CD1-CG 4.12Å; I211-L243 HydrophobicContact CG1-CD2 3.8Å; I211-L243 HydrophobicContact CG1-CG 4.42Å; I211-L243 HydrophobicContact CG2-CD2 4.44Å; F239-L243 HydrophobicContact CD1-CD1 3.82Å; F239-L243 HydrophobicContact CD1-CG 4.45Å; F239-L243 HydrophobicContact CE1-CD1 3.35Å; F239-L243 HydrophobicContact CE1-CG 4.19Å; F239-L243 HydrophobicContact CE2-CD1 4.42Å; F239-L243 HydrophobicContact CE2-CG 4.48Å; F239-L243 HydrophobicContact CZ-CD1 3.66Å; F239-L243 HydrophobicContact CZ-CD2 4.46Å; F239-L243 HydrophobicContact CZ-CG 4.16Å; F239-L243 WeakPolarHBondContact O-CB 3.32Å; F239-L243 VanDerWaalsContact O-CG 3.27Å; F239-L243 WeakPolarHBondContact O-CG 3.47Å; F239-L243 PolarHBondContact O-N 3.17Å; M240-L243 PolarHBondContact O-N 3.42Å; M240-L243 HydrophobicContact SD-CD1 4.37Å; E241-L243 PolarHBondContact O-N 2.96Å; L243-G245 PolarHBondContact O-N 2.82Å; L243-F246 PolarHBondContact O-N 3.46Å; L243-I250 HydrophobicContact CD2-CB 3.76Å; L243-I250 HydrophobicContact CD2-CD1 3.76Å; L243-I250 HydrophobicContact CD2-CG1 4.3Å; L243-I250 HydrophobicContact CD2-CG2 4.16Å; L243-I252 HydrophobicContact CD1-CD1 3.81Å
244N84.7Confident85.9Confident129 Ų12952 Ų5269%0.6930%0.298SS*.Hα-helixtrans-68.3-21.3178.5-69.7-28.5000113.2M240 E241 K242 F246M240-N244 VanDerWaalsContact O-CG 3.23Å; M240-N244 PolarHBondContact O-N 3.24Å; M240-N244 PolarHBondContact O-ND2 3.33Å; M240-N244 VanDerWaalsContact O-ND2 3.15Å; E241-N244 PolarHBondContact O-N 2.7Å; K242-N244 VanDerWaalsContact C-N 3.3Å; K242-N244 PolarHBondContact O-N 3.44Å; N244-F246 VanDerWaalsContact C-N 3.34Å
245G80.9Confident86.1Confident68 Ų6854.2 Ų54.270%0.70131%0.308SS*.Hα-helixtrans-75.4-17.6175.600000114.4E241 K242 L243E241-G245 PolarHBondContact O-N 3.09Å; K242-G245 PolarHBondContact O-N 3.16Å; L243-G245 PolarHBondContact O-N 2.82Å
246F72.9Confident86.4Confident64 Ų6454.6 Ų54.628%0.28131%0.31SS..SBendtrans-91.5147.4-179.8-70.9-78.8000112.7I211 K242 L243 N244 Q248I211-F246 HydrophobicContact CB-CE2 4.39Å; I211-F246 HydrophobicContact CD1-CD2 4.31Å; I211-F246 HydrophobicContact CD1-CE2 3.93Å; I211-F246 HydrophobicContact CG2-CD2 3.8Å; I211-F246 HydrophobicContact CG2-CE2 3.63Å; I211-F246 HydrophobicContact CG2-CG 4.49Å; I211-F246 HydrophobicContact CG2-CZ 4.17Å; K242-F246 WeakPolarHBondContact O-CD2 3.29Å; L243-F246 PolarHBondContact O-N 3.46Å; N244-F246 VanDerWaalsContact C-N 3.34Å; F246-Q248 VanDerWaalsContact C-N 3.35Å
247S57.8Low86.4Confident120 Ų12057.1 Ų57.184%0.83932%0.32SS*.SBendtrans-74.7-22.9176.657.70000113.9
248Q64.6Low86.4Confident88 Ų8855.4 Ų55.441%0.41130%0.302SS..SBendtrans-91.8119.6177.8-72.9164.9-30.200109.3F246 I250F246-Q248 VanDerWaalsContact C-N 3.35Å; Q248-I250 PolarHBondContact O-N 2.82Å
249I73.8Confident86Confident118 Ų11857.6 Ų57.661%0.60531%0.312SS*.  trans-81.3101.2-172.1-54.4170.9000109.2C551I249-C551 HydrophobicContact CG2-CB 3.75Å
250I87.2Confident85Confident15 Ų1559 Ų598%0.07732%0.322CS..PPolyproline II helixtrans-82.7129.8158.9-62.2164.5000107.2I211 L214 R215 F220 V222 L243 Q248I211-I250 HydrophobicContact CG2-CD1 4.08Å; L214-I250 HydrophobicContact CB-CD1 3.85Å; L214-I250 HydrophobicContact CD1-CD1 3.98Å; L214-I250 HydrophobicContact CD1-CG2 4.13Å; R215-I250 HydrophobicContact CG-CD1 4.14Å; F220-I250 HydrophobicContact CD1-CG1 4.09Å; V222-I250 HydrophobicContact CG1-CG2 4.42Å; V222-I250 HydrophobicContact CG2-CG2 4.13Å; L243-I250 HydrophobicContact CD2-CB 3.76Å; L243-I250 HydrophobicContact CD2-CD1 3.76Å; L243-I250 HydrophobicContact CD2-CG1 4.3Å; L243-I250 HydrophobicContact CD2-CG2 4.16Å; Q248-I250 PolarHBondContact O-N 2.82Å
251C88.7Confident83.9Confident11 Ų1164.6 Ų64.67%0.07434%0.341CS..EExtended strand (participates in β ladder)trans-102138.8-175.4-73.60000111.9F220 Y221 V222 C551F220-C251 WeakPolarHBondContact O-CB 3.27Å; F220-C251 PolarHBondContact O-N 2.94Å; Y221-C251 WeakPolarHBondContact CA-O 3.45Å; Y221-C251 HydrophobicContact CD2-CB 3.42Å; Y221-C251 VanDerWaalsContact CD2-CB 3.42Å; Y221-C251 HydrophobicContact CE2-CB 3.97Å; Y221-C251 HydrophobicContact CG-CB 4.48Å; V222-C251 PolarHBondContact N-O 2.93Å; C251-C551 HydrophobicContact CB-CB 4.03Å; C251-C551 WeakPolarHBondContact CB-SG 3.5Å; C251-C551 WeakPolarHBondContact SG-CB 3.38Å; C251-C551 CovalentContact SG-SG 2Å; C251-C551 PolarHBondContact SG-SG 3.45Å
252I91.4Very high82.5Confident41 Ų4162.5 Ų62.521%0.2134%0.34CS..EExtended strand (participates in β ladder)trans-91.5118.5169-48.7-52000109.6V222 V224 F239 M240 L243V222-I252 HydrophobicContact CG2-CD1 3.62Å; V222-I252 CarbonylContact O-C 3.47Å; V222-I252 WeakPolarHBondContact O-CA 3.39Å; V224-I252 HydrophobicContact CG2-CD1 3.91Å; V224-I252 HydrophobicContact CG2-CG2 4.23Å; F239-I252 HydrophobicContact CE1-CD1 3.72Å; M240-I252 HydrophobicContact CE-CG1 4.35Å; M240-I252 HydrophobicContact SD-CD1 4.35Å; M240-I252 HydrophobicContact SD-CG1 3.77Å; L243-I252 HydrophobicContact CD1-CD1 3.81Å
253A90.8Very high81.4Confident23 Ų2363.9 Ų63.919%0.1935%0.349CS..EExtended strand (participates in β ladder)trans-79.3-48.8178.200000112.1Y221 V222 N223 S278 A280Y221-A253 HydrophobicContact CD1-CB 3.94Å; Y221-A253 HydrophobicContact CD2-CB 3.8Å; Y221-A253 HydrophobicContact CE1-CB 3.47Å; Y221-A253 VanDerWaalsContact CE1-CB 3.47Å; Y221-A253 HydrophobicContact CE2-CB 3.38Å; Y221-A253 HydrophobicContact CG-CB 4.1Å; V222-A253 PolarHBondContact O-N 3.38Å; N223-A253 WeakPolarHBondContact OD1-CB 3.35Å; A253-S278 WeakPolarHBondContact CB-OG 3.31Å; A253-A280 HydrophobicContact CB-CB 3.56Å
254K92.6Very high81Confident64 Ų6466.4 Ų66.428%0.27836%0.363SS..EExtended strand (participates in β ladder)trans-143.3146.5173-73.8-162.7173.3-1660110.3N223 V224 T274 D277N223-K254 CarbonylContact C-O 3.55Å; N223-K254 WeakPolarHBondContact CA-O 3.43Å; N223-K254 PolarHBondContact OD1-N 3.25Å; V224-K254 PolarHBondContact N-O 3.36Å; K254-T274 PolarHBondContact NZ-O 3.38Å; K254-D277 IonicContact NZ-OD2 3.27Å
255N93.5Very high80.8Confident72 Ų7262.9 Ų62.939%0.38535%0.346SS..EExtended strand (participates in β ladder)trans-113.9105.4166.65115.4000109.4V224 L226 Y236V224-N255 CarbonylContact O-C 3.56Å; V224-N255 WeakPolarHBondContact O-CA 3.27Å; L226-N255 HydrophobicContact CD2-CB 4.48Å; Y236-N255 HydrophobicContact CE2-CB 4.28Å; Y236-N255 PolarHBondContact OH-ND2 2.96Å
256V96.2Very high81.1Confident9 Ų965.2 Ų65.26%0.05534%0.342CS..EExtended strand (participates in β ladder)trans-96.3111.8-179179.90000108.6V224 V225 L226 L258 R271 L275V224-V256 PolarHBondContact O-N 2.83Å; V225-V256 WeakPolarHBondContact CA-O 3.29Å; V225-V256 HydrophobicContact CG2-CB 4.36Å; L226-V256 PolarHBondContact N-O 2.9Å; L226-V256 VanDerWaalsContact O-O 3.09Å; V256-L258 HydrophobicContact CG1-CD2 4.05Å; V256-R271 HydrophobicContact CG1-CB 3.92Å; V256-R271 WeakPolarHBondContact CG1-O 3.29Å; V256-L275 HydrophobicContact CG2-CD2 3.59Å; V256-L275 HydrophobicContact CG2-CG 4.03Å
257R95Very high81.9Confident84 Ų8463.2 Ų63.232%0.31733%0.334SS..EExtended strand (participates in β ladder)trans-93.1117.6175-69.8176.6168.884.65.1110.6L226 E233 R271L226-R257 HydrophobicContact CD1-CG 4.12Å; L226-R257 HydrophobicContact CD2-CG 3.95Å; L226-R257 HydrophobicContact CG-CG 3.95Å; L226-R257 CarbonylContact O-C 3.49Å; L226-R257 VanDerWaalsContact O-CA 3.32Å; L226-R257 WeakPolarHBondContact O-CA 3.37Å; E233-R257 VanDerWaalsContact OE1-CD 3.23Å; E233-R257 WeakPolarHBondContact OE1-CD 3.1Å; E233-R257 IonicContact OE1-CZ 2.71Å; E233-R257 IonicContact OE1-NE 3.89Å; E233-R257 PolarHBondContact OE1-NE 3.27Å; E233-R257 IonicContact OE1-NH2 3.78Å; E233-R257 IonicContact OE2-CZ 3.84Å; E233-R257 IonicContact OE2-NE 3.92Å; E233-R257 PolarHBondContact OE2-NE 3.41Å; E233-R257 IonicContact OE2-NH2 2.84Å; E233-R257 PolarHBondContact OE2-NH2 2.89Å; R257-R271 VanDerWaalsContact O-CD 3.24Å; R257-R271 WeakPolarHBondContact O-CD 3.18Å; R257-R271 PolarHBondContact O-NH1 3.01Å
258L93.2Very high83.5Confident0 Ų057.6 Ų57.60%030%0.295CS..EExtended strand (participates in β ladder)trans-88.1122.4175.5-54.7-178.5000109.7V225 L226 D227 S228 V256 T260 I268 R271 L272 V287 T291 A295V225-L258 HydrophobicContact CG1-CD1 3.76Å; V225-L258 HydrophobicContact CG1-CD2 4.38Å; V225-L258 HydrophobicContact CG1-CG 3.96Å; L226-L258 PolarHBondContact O-N 3.14Å; D227-L258 CarbonylContact C-O 3.57Å; D227-L258 WeakPolarHBondContact CA-O 3.23Å; D227-L258 HydrophobicContact CB-CB 4.44Å; S228-L258 PolarHBondContact N-O 2.74Å; S228-L258 PolarHBondContact OG-O 3.28Å; V256-L258 HydrophobicContact CG1-CD2 4.05Å; L258-T260 PolarHBondContact O-N 3.43Å; L258-I268 HydrophobicContact CD1-CG2 4.35Å; L258-I268 HydrophobicContact CD2-CG2 4.27Å; L258-R271 HydrophobicContact CD2-CB 3.98Å; L258-L272 HydrophobicContact CD1-CD2 4.46Å; L258-L272 HydrophobicContact CD2-CD2 4.1Å; L258-L272 HydrophobicContact CD2-CG 4.02Å; L258-V287 HydrophobicContact CD1-CG1 4.34Å; L258-T291 HydrophobicContact CB-CG2 3.99Å; L258-T291 HydrophobicContact CD1-CG2 3.74Å; L258-A295 HydrophobicContact CD1-CB 3.96Å
259I86Confident84.8Confident55 Ų5553.4 Ų53.428%0.28228%0.276SS..PPolyproline II helixtrans-73.8125.6179.8-64.9179.5000109.4S228 Y261S228-I259 WeakPolarHBondContact OG-CA 3.3Å; I259-Y261 WeakPolarHBondContact CG2-O 3.46Å
260T72.6Confident85.8Confident31 Ų3155.6 Ų55.619%0.1928%0.276CS..  trans-99.1-12.5178.353.80000113.6D227 S228 L258 L263 T291D227-T260 HydrophobicContact CB-CG2 3.63Å; S228-T260 PolarHBondContact OG-N 2.82Å; S228-T260 VanDerWaalsContact OG-N 3.11Å; S228-T260 PolarHBondContact OG-OG1 3.39Å; L258-T260 PolarHBondContact O-N 3.43Å; T260-L263 VanDerWaalsContact O-CD2 3.23Å; T260-L263 WeakPolarHBondContact O-CD2 3.18Å; T260-L263 WeakPolarHBondContact O-CG 3.45Å; T260-T291 HydrophobicContact CG2-CG2 4.35Å; T260-T291 VanDerWaalsContact CG2-OG1 3.22Å; T260-T291 WeakPolarHBondContact CG2-OG1 3.35Å
261Y67.9Low86.1Confident165 Ų16558.5 Ų58.565%0.64729%0.286SS*.SBendtrans-150.8120.7178.2-165.4-98.4000112.4I259I259-Y261 WeakPolarHBondContact CG2-O 3.46Å
262P63.9Low86.5Confident104 Ų10458 Ų5868%0.67528%0.283SS*.SBendcis-67.2149.1-9.929.9-34.1000111.6D264P262-D264 PolarHBondContact O-N 3.47Å
263L67.6Low86.7Confident68 Ų6861.5 Ų61.536%0.35630%0.296SS..  trans-73.4114.1179.3-71.8160.1000110.7T260 Y290 L294T260-L263 VanDerWaalsContact O-CD2 3.23Å; T260-L263 WeakPolarHBondContact O-CD2 3.18Å; T260-L263 WeakPolarHBondContact O-CG 3.45Å; L263-Y290 HydrophobicContact CD1-CD1 4.47Å; L263-Y290 HydrophobicContact CD1-CE1 3.46Å; L263-Y290 VanDerWaalsContact CD1-CE1 3.46Å; L263-Y290 HydrophobicContact CD2-CD1 4.35Å; L263-Y290 HydrophobicContact CD2-CE1 3.73Å; L263-Y290 HydrophobicContact CG-CE1 4.23Å; L263-L294 HydrophobicContact CD2-CD1 4.14Å
264D79.4Confident86.9Confident66 Ų6662.8 Ų62.835%0.35330%0.302SS..  trans-124.4108.7168.3-1796.3000110P262 N266 D267 I268P262-D264 PolarHBondContact O-N 3.47Å; D264-N266 PolarHBondContact O-N 3.29Å; D264-N266 WeakPolarHBondContact OD1-CB 3.34Å; D264-N266 PolarHBondContact OD1-N 3.14Å; D264-N266 PolarHBondContact OD1-ND2 2.9Å; D264-D267 HydrophobicContact CB-CB 3.87Å; D264-D267 WeakPolarHBondContact O-CB 3.5Å; D264-D267 PolarHBondContact O-N 3.48Å; D264-D267 VanDerWaalsContact O-N 3.08Å; D264-I268 PolarHBondContact O-N 2.92Å; D264-I268 VanDerWaalsContact O-N 3.07Å
265V81.6Confident87Confident55 Ų5559.7 Ų59.733%0.33329%0.289SS..Hα-helixtrans-59.7-33.7178.3-177.30000111.4D267 I268 G269 L294V265-D267 VanDerWaalsContact C-N 3.33Å; V265-I268 PolarHBondContact O-N 3.38Å; V265-G269 PolarHBondContact O-N 3.32Å; V265-G269 VanDerWaalsContact O-N 3.08Å; V265-L294 HydrophobicContact CG2-CD2 4.25Å
266N86.4Confident87Confident117 Ų11758.5 Ų58.563%0.62628%0.282SS*.Hα-helixtrans-69.9-33.9178.2-60.8-53.9000111.6D264 G269 R270D264-N266 PolarHBondContact O-N 3.29Å; D264-N266 WeakPolarHBondContact OD1-CB 3.34Å; D264-N266 PolarHBondContact OD1-N 3.14Å; D264-N266 PolarHBondContact OD1-ND2 2.9Å; N266-G269 PolarHBondContact O-N 3.03Å; N266-R270 WeakPolarHBondContact O-CB 3.36Å; N266-R270 PolarHBondContact O-N 3.46Å
267D90.2Very high86.8Confident22 Ų2264.1 Ų64.112%0.11831%0.312CS..Hα-helixtrans-69.6-40.7175.1-16953.9000111.3D264 V265 G269 R270 R271D264-D267 HydrophobicContact CB-CB 3.87Å; D264-D267 WeakPolarHBondContact O-CB 3.5Å; D264-D267 PolarHBondContact O-N 3.48Å; D264-D267 VanDerWaalsContact O-N 3.08Å; V265-D267 VanDerWaalsContact C-N 3.33Å; D267-G269 VanDerWaalsContact C-N 3.31Å; D267-G269 PolarHBondContact O-N 3.31Å; D267-R270 PolarHBondContact O-N 3.37Å; D267-R270 IonicContact OD1-NH1 3.86Å; D267-R271 WeakPolarHBondContact O-CB 3.1Å; D267-R271 VanDerWaalsContact O-CG 3.27Å; D267-R271 WeakPolarHBondContact O-CG 3.47Å; D267-R271 PolarHBondContact O-N 3.35Å; D267-R271 IonicContact OD1-NE 2.66Å; D267-R271 WeakPolarHBondContact OD2-CD 3.19Å; D267-R271 IonicContact OD2-CZ 3.84Å; D267-R271 IonicContact OD2-NE 2.85Å; D267-R271 PolarHBondContact OD2-NE 2.92Å; D267-R271 IonicContact OD2-NH2 2.59Å
268I91Very high86.6Confident1 Ų160.2 Ų60.21%0.00530%0.297CS..Hα-helixtrans-54.2-49.6171.4-67.5174.5000110L258 D264 V265 R270 R271 L272 L294L258-I268 HydrophobicContact CD1-CG2 4.35Å; L258-I268 HydrophobicContact CD2-CG2 4.27Å; D264-I268 PolarHBondContact O-N 2.92Å; D264-I268 VanDerWaalsContact O-N 3.07Å; V265-I268 PolarHBondContact O-N 3.38Å; I268-R270 PolarHBondContact O-N 2.96Å; I268-R271 PolarHBondContact O-N 3.47Å; I268-L272 HydrophobicContact CG2-CD1 3.75Å; I268-L272 HydrophobicContact CG2-CG 4.37Å; I268-L272 WeakPolarHBondContact O-CB 3.47Å; I268-L272 VanDerWaalsContact O-CG 3.3Å; I268-L272 WeakPolarHBondContact O-CG 3.23Å; I268-L272 PolarHBondContact O-N 3.34Å; I268-L294 HydrophobicContact CD1-CB 3.88Å; I268-L294 HydrophobicContact CD1-CD1 3.9Å
269G92.7Very high86.4Confident1 Ų163.6 Ų63.61%0.0132%0.319CS..Hα-helixtrans-63.7-41.7178.400000114.3V265 N266 D267 R271 L272 K273 E298V265-G269 PolarHBondContact O-N 3.32Å; V265-G269 VanDerWaalsContact O-N 3.08Å; N266-G269 PolarHBondContact O-N 3.03Å; D267-G269 VanDerWaalsContact C-N 3.31Å; D267-G269 PolarHBondContact O-N 3.31Å; G269-R271 VanDerWaalsContact C-N 3.32Å; G269-R271 PolarHBondContact O-N 3.42Å; G269-L272 PolarHBondContact O-N 2.95Å; G269-K273 WeakPolarHBondContact O-CB 3.49Å; G269-K273 VanDerWaalsContact O-CG 3.31Å; G269-K273 WeakPolarHBondContact O-CG 3.16Å; G269-K273 PolarHBondContact O-N 3.41Å; G269-E298 WeakPolarHBondContact CA-OE1 3.47Å
270R93.9Very high86.7Confident164 Ų16461 Ų6162%0.61931%0.306SS*.Hα-helixtrans-60-43.5175.5-170.8-172.5-59.2147.61.2111.5N266 D267 I268 K273N266-R270 WeakPolarHBondContact O-CB 3.36Å; N266-R270 PolarHBondContact O-N 3.46Å; D267-R270 PolarHBondContact O-N 3.37Å; D267-R270 IonicContact OD1-NH1 3.86Å; I268-R270 PolarHBondContact O-N 2.96Å; R270-K273 PolarHBondContact O-N 3.45Å
271R94.4Very high87.7Confident75 Ų7560 Ų6028%0.28330%0.3SS..Hα-helixtrans-68.4-45.4179.4-72.5167.8177.2-74.1-17.2111.9V256 R257 L258 D267 I268 G269 K273 T274V256-R271 HydrophobicContact CG1-CB 3.92Å; V256-R271 WeakPolarHBondContact CG1-O 3.29Å; R257-R271 VanDerWaalsContact O-CD 3.24Å; R257-R271 WeakPolarHBondContact O-CD 3.18Å; R257-R271 PolarHBondContact O-NH1 3.01Å; L258-R271 HydrophobicContact CD2-CB 3.98Å; D267-R271 WeakPolarHBondContact O-CB 3.1Å; D267-R271 VanDerWaalsContact O-CG 3.27Å; D267-R271 WeakPolarHBondContact O-CG 3.47Å; D267-R271 PolarHBondContact O-N 3.35Å; D267-R271 IonicContact OD1-NE 2.66Å; D267-R271 WeakPolarHBondContact OD2-CD 3.19Å; D267-R271 IonicContact OD2-CZ 3.84Å; D267-R271 IonicContact OD2-NE 2.85Å; D267-R271 PolarHBondContact OD2-NE 2.92Å; D267-R271 IonicContact OD2-NH2 2.59Å; I268-R271 PolarHBondContact O-N 3.47Å; G269-R271 VanDerWaalsContact C-N 3.32Å; G269-R271 PolarHBondContact O-N 3.42Å; R271-K273 VanDerWaalsContact C-N 3.29Å; R271-K273 PolarHBondContact O-N 3.36Å; R271-T274 WeakPolarHBondContact O-CB 3.24Å; R271-T274 WeakPolarHBondContact O-CG2 3.35Å; R271-T274 PolarHBondContact O-N 2.91Å; R271-T274 VanDerWaalsContact O-N 3.16Å; R271-T274 PolarHBondContact O-OG1 3.05Å
272L96Very high89Confident0 Ų052.2 Ų52.20%027%0.27CS..Hα-helixtrans-59.6-40.6175.9-71170.5000111.1V225 L258 I268 G269 T274 L275 A295 E298 L299 W302V225-L272 HydrophobicContact CG1-CD2 3.94Å; V225-L272 HydrophobicContact CG2-CD2 4.45Å; L258-L272 HydrophobicContact CD1-CD2 4.46Å; L258-L272 HydrophobicContact CD2-CD2 4.1Å; L258-L272 HydrophobicContact CD2-CG 4.02Å; I268-L272 HydrophobicContact CG2-CD1 3.75Å; I268-L272 HydrophobicContact CG2-CG 4.37Å; I268-L272 WeakPolarHBondContact O-CB 3.47Å; I268-L272 VanDerWaalsContact O-CG 3.3Å; I268-L272 WeakPolarHBondContact O-CG 3.23Å; I268-L272 PolarHBondContact O-N 3.34Å; G269-L272 PolarHBondContact O-N 2.95Å; L272-T274 PolarHBondContact O-N 3.47Å; L272-L275 HydrophobicContact CD2-CD1 4.17Å; L272-L275 WeakPolarHBondContact O-CB 3.26Å; L272-L275 VanDerWaalsContact O-CG 3.25Å; L272-L275 WeakPolarHBondContact O-CG 3.26Å; L272-L275 PolarHBondContact O-N 3.22Å; L272-A295 HydrophobicContact CD1-CB 4.11Å; L272-E298 HydrophobicContact CD1-CB 4.28Å; L272-E298 HydrophobicContact CD1-CG 4.3Å; L272-L299 HydrophobicContact CB-CD2 4.47Å; L272-L299 HydrophobicContact CD1-CD2 4.24Å; L272-L299 HydrophobicContact CD1-CG 4.14Å; L272-W302 VanDerWaalsContact C-CZ2 3.42Å; L272-W302 HydrophobicContact CB-CH2 4.27Å; L272-W302 HydrophobicContact CB-CZ2 3.68Å; L272-W302 VanDerWaalsContact O-CH2 3.25Å; L272-W302 WeakPolarHBondContact O-CH2 3.39Å
273K95.3Very high90.5Very high115 Ų11547.2 Ų47.250%0.524%0.237SC..Hα-helixtrans-58.1-24.7178.7-79.7176-178.8179.20113.7G269 R270 R271 L275 L276 W302G269-K273 WeakPolarHBondContact O-CB 3.49Å; G269-K273 VanDerWaalsContact O-CG 3.31Å; G269-K273 WeakPolarHBondContact O-CG 3.16Å; G269-K273 PolarHBondContact O-N 3.41Å; R270-K273 PolarHBondContact O-N 3.45Å; R271-K273 VanDerWaalsContact C-N 3.29Å; R271-K273 PolarHBondContact O-N 3.36Å; K273-L275 PolarHBondContact O-N 3.3Å; K273-L275 VanDerWaalsContact O-N 3.14Å; K273-L276 WeakPolarHBondContact O-CB 3.34Å; K273-L276 WeakPolarHBondContact O-CG 3.47Å; K273-L276 PolarHBondContact O-N 3Å; K273-W302 HydrophobicContact CB-CZ2 4.49Å; K273-W302 HydrophobicContact CG-CZ2 3.99Å
274T94.9Very high91.9Very high50 Ų5044 Ų4431%0.30722%0.22SC..G310 helixtrans-63.5-16.8174.673.70000113.4K254 R271 L272 L276 D277K254-T274 PolarHBondContact NZ-O 3.38Å; R271-T274 WeakPolarHBondContact O-CB 3.24Å; R271-T274 WeakPolarHBondContact O-CG2 3.35Å; R271-T274 PolarHBondContact O-N 2.91Å; R271-T274 VanDerWaalsContact O-N 3.16Å; R271-T274 PolarHBondContact O-OG1 3.05Å; L272-T274 PolarHBondContact O-N 3.47Å; T274-L276 VanDerWaalsContact C-N 3.27Å; T274-L276 PolarHBondContact O-N 2.88Å; T274-D277 PolarHBondContact O-N 3.37Å
275L95.3Very high92.7Very high0 Ų040.9 Ų40.90%020%0.204CC..G310 helixtrans-66.7-28.6173.7-64.9170.3000112N223 V225 V256 L272 K273 D277 S278 W302 F310 W312N223-L275 HydrophobicContact CB-CD2 3.68Å; V225-L275 HydrophobicContact CG2-CD1 3.81Å; V225-L275 HydrophobicContact CG2-CD2 4.28Å; V256-L275 HydrophobicContact CG2-CD2 3.59Å; V256-L275 HydrophobicContact CG2-CG 4.03Å; L272-L275 HydrophobicContact CD2-CD1 4.17Å; L272-L275 WeakPolarHBondContact O-CB 3.26Å; L272-L275 VanDerWaalsContact O-CG 3.25Å; L272-L275 WeakPolarHBondContact O-CG 3.26Å; L272-L275 PolarHBondContact O-N 3.22Å; K273-L275 PolarHBondContact O-N 3.3Å; K273-L275 VanDerWaalsContact O-N 3.14Å; L275-D277 PolarHBondContact O-N 3.44Å; L275-S278 VanDerWaalsContact O-CB 3.26Å; L275-S278 WeakPolarHBondContact O-CB 3.27Å; L275-S278 PolarHBondContact O-N 3.41Å; L275-W302 HydrophobicContact CB-CH2 4.46Å; L275-F310 HydrophobicContact CB-CZ 4.27Å; L275-F310 WeakPolarHBondContact O-CZ 3.2Å; L275-W312 HydrophobicContact CD1-CH2 3.66Å; L275-W312 HydrophobicContact CD1-CZ3 4.11Å
276L93.9Very high93.3Very high46 Ų4638.3 Ų38.324%0.24119%0.188CC..G310 helixtrans-61.4-30179-63.2170.8000112.2K273 T274 S278 W302 D306 R309 F310K273-L276 WeakPolarHBondContact O-CB 3.34Å; K273-L276 WeakPolarHBondContact O-CG 3.47Å; K273-L276 PolarHBondContact O-N 3Å; T274-L276 VanDerWaalsContact C-N 3.27Å; T274-L276 PolarHBondContact O-N 2.88Å; L276-S278 VanDerWaalsContact C-N 3.3Å; L276-S278 PolarHBondContact O-N 3.18Å; L276-W302 HydrophobicContact CD2-CE3 4.11Å; L276-W302 HydrophobicContact CD2-CH2 4.46Å; L276-W302 HydrophobicContact CD2-CZ3 3.79Å; L276-W302 HydrophobicContact CG-CH2 4.26Å; L276-W302 HydrophobicContact CG-CZ3 4.08Å; L276-D306 HydrophobicContact CD2-CB 3.78Å; L276-R309 PolarHBondContact O-NH1 3.35Å; L276-F310 HydrophobicContact CD2-CE2 3.93Å
277D91.7Very high93.5Very high128 Ų12832.9 Ų32.968%0.68416%0.159SC*.G310 helixtrans-77.7-13.6175.7-53.5-37.1000113.3K254 T274 L275K254-D277 IonicContact NZ-OD2 3.27Å; T274-D277 PolarHBondContact O-N 3.37Å; L275-D277 PolarHBondContact O-N 3.44Å
278S91.4Very high93.4Very high1 Ų133.6 Ų33.61%0.00717%0.165CC..  trans-79.7134.6-175.7-174.50000111.5N223 A253 L275 L276 A280 R309N223-S278 PolarHBondContact ND2-OG 3.49Å; N223-S278 VanDerWaalsContact OD1-CB 3.29Å; N223-S278 WeakPolarHBondContact OD1-CB 3.34Å; N223-S278 PolarHBondContact OD1-OG 2.87Å; A253-S278 WeakPolarHBondContact CB-OG 3.31Å; L275-S278 VanDerWaalsContact O-CB 3.26Å; L275-S278 WeakPolarHBondContact O-CB 3.27Å; L275-S278 PolarHBondContact O-N 3.41Å; L276-S278 VanDerWaalsContact C-N 3.3Å; L276-S278 PolarHBondContact O-N 3.18Å; S278-A280 PolarHBondContact O-N 2.94Å; S278-A280 PolarHBondContact OG-N 3.09Å; S278-R309 PolarHBondContact O-NH2 3.28Å
279P88.1Confident93Very high72 Ų7235.2 Ų35.247%0.46818%0.176SC..SBendtrans-68.8-21.3174.3-6.519.5000113.3Y221Y221-P279 HydrophobicContact CE1-CB 3.98Å; Y221-P279 HydrophobicContact CE1-CG 3.88Å
280A92.2Very high92.4Very high0 Ų040.8 Ų40.80%020%0.197CC..  trans-69138.5179.700000111Y221 N223 A253 S278 F310Y221-A280 HydrophobicContact CD1-CB 3.72Å; Y221-A280 HydrophobicContact CE1-CB 4.22Å; Y221-A280 HydrophobicContact CG-CB 4.16Å; Y221-A280 WeakPolarHBondContact O-CB 3.27Å; N223-A280 PolarHBondContact ND2-O 3.34Å; A253-A280 HydrophobicContact CB-CB 3.56Å; S278-A280 PolarHBondContact O-N 2.94Å; S278-A280 PolarHBondContact OG-N 3.09Å; A280-F310 WeakPolarHBondContact O-CE1 3.47Å
281S93.4Very high92.1Very high11 Ų1133 Ų338%0.07717%0.169CC..  trans-101.6-8.5179.6-57.20000112.8F310 L311 S531S281-F310 CarbonylContact O-C 3.54Å; S281-F310 VanDerWaalsContact O-CA 3.26Å; S281-F310 WeakPolarHBondContact O-CA 3.49Å; S281-L311 PolarHBondContact O-N 2.87Å; S281-S531 PolarHBondContact N-OG 3.22Å
282V95.5Very high91.8Very high0 Ų029.5 Ų29.50%016%0.155CC..EExtended strand (participates in β ladder)trans-107.2127179.5179.30000109.7L214 W219 V222 N223 L311 I313L214-V282 HydrophobicContact CD2-CG1 4.1Å; W219-V282 HydrophobicContact CB-CG2 4.07Å; W219-V282 HydrophobicContact CD2-CG2 3.94Å; W219-V282 HydrophobicContact CE3-CG2 4.45Å; W219-V282 HydrophobicContact CG-CG2 3.76Å; V222-V282 CarbonylContact C-O 3.52Å; V222-V282 WeakPolarHBondContact CA-O 3.48Å; V222-V282 HydrophobicContact CG1-CB 4.12Å; V222-V282 HydrophobicContact CG1-CG1 4.07Å; N223-V282 PolarHBondContact N-O 3.16Å; V282-L311 HydrophobicContact CG1-CD2 4.2Å; V282-L311 HydrophobicContact CG2-CB 4.3Å; V282-L311 HydrophobicContact CG2-CD2 4.13Å; V282-I313 HydrophobicContact CG1-CD1 3.71Å; V282-I313 HydrophobicContact CG1-CG1 4.29Å
283N96.2Very high91.4Very high0 Ų031.7 Ų31.70%017%0.17CC..EExtended strand (participates in β ladder)trans-116.6123.9178.7-60.3-35.5000109.6N223 F310 L311 W312 I313N223-N283 VanDerWaalsContact CB-OD1 3.3Å; N223-N283 WeakPolarHBondContact CB-OD1 3.32Å; N223-N283 PolarHBondContact ND2-OD1 2.69Å; N223-N283 CarbonylContact O-C 3.58Å; N223-N283 WeakPolarHBondContact O-CA 3.25Å; N283-F310 VanDerWaalsContact ND2-CB 3.31Å; N283-F310 WeakPolarHBondContact ND2-CB 3.29Å; N283-F310 WeakPolarHBondContact ND2-CD1 3.39Å; N283-F310 WeakPolarHBondContact ND2-CG 3.38Å; N283-L311 PolarHBondContact N-O 3.25Å; N283-W312 HydrophobicContact CB-CD2 4.02Å; N283-W312 HydrophobicContact CB-CE3 3.38Å; N283-W312 HydrophobicContact CB-CH2 4.25Å; N283-W312 HydrophobicContact CB-CZ3 3.54Å; N283-W312 VanDerWaalsContact ND2-CH2 3.27Å; N283-W312 WeakPolarHBondContact ND2-CH2 3.37Å; N283-W312 VanDerWaalsContact ND2-CZ2 3.31Å; N283-W312 WeakPolarHBondContact ND2-CZ2 3.25Å; N283-W312 WeakPolarHBondContact ND2-CZ3 3.28Å; N283-W312 WeakPolarHBondContact O-CA 3.39Å; N283-I313 PolarHBondContact O-N 3.12Å
284I96.4Very high91Very high0 Ų027.4 Ų27.40%015%0.153CC..EExtended strand (participates in β ladder)trans-100.3124.2176-54.4171.1000108.1I210 L214 V222 N223 V224 V225 F239 L286 I313I210-I284 HydrophobicContact CD1-CG2 4.43Å; I210-I284 HydrophobicContact CG2-CD1 4.06Å; I210-I284 HydrophobicContact CG2-CG2 4.39Å; L214-I284 HydrophobicContact CD1-CD1 3.9Å; V222-I284 HydrophobicContact CB-CD1 4.06Å; V222-I284 HydrophobicContact CB-CG1 4.47Å; V222-I284 HydrophobicContact CG1-CD1 4.35Å; V222-I284 HydrophobicContact CG2-CD1 3.82Å; N223-I284 PolarHBondContact O-N 3.07Å; V224-I284 CarbonylContact C-O 3.47Å; V224-I284 WeakPolarHBondContact CA-O 3.43Å; V225-I284 PolarHBondContact N-O 3.01Å; F239-I284 HydrophobicContact CE1-CD1 4.13Å; F239-I284 HydrophobicContact CE2-CD1 3.94Å; F239-I284 HydrophobicContact CZ-CD1 3.4Å; I284-L286 HydrophobicContact CG2-CD2 4.04Å; I284-L286 HydrophobicContact CG2-CG 4.08Å; I284-I313 CarbonylContact C-O 3.58Å; I284-I313 WeakPolarHBondContact CA-O 3.41Å
285L95.3Very high90.8Very high1 Ų125 Ų251%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-99.7108179.2-69.6131.6000109.6V225 V287 W312 I313 L318 F345V225-L285 HydrophobicContact CB-CD2 4.47Å; V225-L285 WeakPolarHBondContact O-CA 3.29Å; L285-V287 HydrophobicContact CB-CG2 4.31Å; L285-V287 HydrophobicContact CD2-CG2 4.4Å; L285-W312 HydrophobicContact CD1-CB 3.91Å; L285-W312 HydrophobicContact CD1-CD2 4.27Å; L285-W312 HydrophobicContact CD1-CE3 3.55Å; L285-W312 HydrophobicContact CD1-CG 4.47Å; L285-W312 HydrophobicContact CD1-CZ3 4.42Å; L285-W312 HydrophobicContact CD2-CE3 4.23Å; L285-W312 HydrophobicContact CD2-CZ3 4.32Å; L285-W312 HydrophobicContact CG-CE3 3.96Å; L285-W312 HydrophobicContact CG-CZ3 4.4Å; L285-I313 PolarHBondContact N-O 3.33Å; L285-L318 HydrophobicContact CB-CD1 4.13Å; L285-L318 HydrophobicContact CD1-CD1 4.16Å; L285-F345 HydrophobicContact CD1-CE2 4.28Å; L285-F345 HydrophobicContact CD1-CZ 3.73Å
286L94.3Very high90.6Very high0 Ų025.3 Ų25.30%014%0.14CC..EExtended strand (participates in β ladder)trans-111.867.3174.2-58.5-179.1000108.9I210 V224 V225 L226 N235 F239 I284 T315I210-L286 HydrophobicContact CD1-CD2 4.37Å; V224-L286 HydrophobicContact CG1-CD1 3.94Å; V224-L286 HydrophobicContact CG1-CG 4.28Å; V225-L286 PolarHBondContact O-N 3.48Å; L226-L286 WeakPolarHBondContact CA-O 3.24Å; L226-L286 HydrophobicContact CB-CB 4.45Å; N235-L286 HydrophobicContact CB-CB 4.42Å; F239-L286 HydrophobicContact CB-CD1 4.1Å; F239-L286 HydrophobicContact CG-CD1 4.33Å; I284-L286 HydrophobicContact CG2-CD2 4.04Å; I284-L286 HydrophobicContact CG2-CG 4.08Å; L286-T315 HydrophobicContact CD2-CG2 4.22Å
287V91.9Very high90.3Very high4 Ų425.4 Ų25.42%0.02415%0.145CC..  trans-124.5150-172-66.80000112V225 D227 L258 L285 A292V225-V287 HydrophobicContact CG1-CG1 4.46Å; D227-V287 HydrophobicContact CB-CG1 4.21Å; D227-V287 WeakPolarHBondContact OD2-CA 3.18Å; L258-V287 HydrophobicContact CD1-CG1 4.34Å; L285-V287 HydrophobicContact CB-CG2 4.31Å; L285-V287 HydrophobicContact CD2-CG2 4.4Å; V287-A292 HydrophobicContact CG2-CB 3.68Å
288T87.5Confident90.2Very high37 Ų3720.2 Ų20.223%0.22712%0.116CC..  trans-64.1157.1169.160.80000111.3D227 H231 Y290 T291 A292D227-T288 WeakPolarHBondContact OD2-CG2 3.41Å; D227-T288 PolarHBondContact OD2-N 3.45Å; D227-T288 PolarHBondContact OD2-OG1 3.32Å; H231-T288 HydrophobicContact CB-CG2 3.93Å; T288-Y290 VanDerWaalsContact C-N 3.3Å; T288-Y290 PolarHBondContact O-N 2.92Å; T288-T291 PolarHBondContact O-N 2.93Å; T288-T291 PolarHBondContact OG1-OG1 3.15Å; T288-T291 VanDerWaalsContact OG1-OG1 3.13Å; T288-A292 VanDerWaalsContact O-CB 3.26Å; T288-A292 WeakPolarHBondContact O-CB 3.47Å; T288-A292 PolarHBondContact O-N 3.34Å
289S82.8Confident90.2Very high35 Ų3520.2 Ų20.225%0.24512%0.116CC..Hα-helixtrans-54.6-41.1-179.2-75.10000115A292 S293 G317 S320S289-A292 WeakPolarHBondContact O-CB 3.38Å; S289-A292 PolarHBondContact O-N 3.44Å; S289-S293 PolarHBondContact O-N 3.47Å; S289-S293 VanDerWaalsContact O-N 3.16Å; S289-G317 WeakPolarHBondContact CA-O 3.41Å; S289-G317 WeakPolarHBondContact CB-O 3.23Å; S289-G317 PolarHBondContact OG-O 3.46Å; S289-S320 WeakPolarHBondContact CB-OG 3.25Å; S289-S320 PolarHBondContact OG-OG 3.47Å
290Y80.3Confident90.3Very high117 Ų11719.4 Ų19.446%0.45911%0.108SC..Hα-helixtrans-69.4-43.8178.9-176.2-101.5000112L263 T288 A292 S293 L294L263-Y290 HydrophobicContact CD1-CD1 4.47Å; L263-Y290 HydrophobicContact CD1-CE1 3.46Å; L263-Y290 VanDerWaalsContact CD1-CE1 3.46Å; L263-Y290 HydrophobicContact CD2-CD1 4.35Å; L263-Y290 HydrophobicContact CD2-CE1 3.73Å; L263-Y290 HydrophobicContact CG-CE1 4.23Å; T288-Y290 VanDerWaalsContact C-N 3.3Å; T288-Y290 PolarHBondContact O-N 2.92Å; Y290-A292 VanDerWaalsContact C-N 3.3Å; Y290-A292 PolarHBondContact O-N 3Å; Y290-S293 PolarHBondContact O-N 3.18Å; Y290-S293 PolarHBondContact O-OG 3.02Å; Y290-L294 HydrophobicContact CD1-CD1 4.15Å; Y290-L294 HydrophobicContact CE1-CD1 3.58Å; Y290-L294 HydrophobicContact CE1-CG 4.45Å; Y290-L294 PolarHBondContact O-N 3.24Å
291T87Confident90.2Very high2 Ų225.6 Ų25.61%0.01214%0.135CC..Hα-helixtrans-68.7-32.3176.1-49.90000112D227 L258 T260 T288 L294 A295D227-T291 HydrophobicContact CB-CG2 3.71Å; L258-T291 HydrophobicContact CB-CG2 3.99Å; L258-T291 HydrophobicContact CD1-CG2 3.74Å; T260-T291 HydrophobicContact CG2-CG2 4.35Å; T260-T291 VanDerWaalsContact CG2-OG1 3.22Å; T260-T291 WeakPolarHBondContact CG2-OG1 3.35Å; T288-T291 PolarHBondContact O-N 2.93Å; T288-T291 PolarHBondContact OG1-OG1 3.15Å; T288-T291 VanDerWaalsContact OG1-OG1 3.13Å; T291-L294 PolarHBondContact O-N 2.87Å; T291-A295 VanDerWaalsContact O-CB 3.25Å; T291-A295 WeakPolarHBondContact O-CB 3.42Å; T291-A295 PolarHBondContact O-N 3.29Å
292A89.4Confident90.1Very high0 Ų026 Ų260%014%0.135CC..Hα-helixtrans-59.8-46.2175.600000111.8V287 T288 S289 Y290 A295 V296 L318V287-A292 HydrophobicContact CG2-CB 3.68Å; T288-A292 VanDerWaalsContact O-CB 3.26Å; T288-A292 WeakPolarHBondContact O-CB 3.47Å; T288-A292 PolarHBondContact O-N 3.34Å; S289-A292 WeakPolarHBondContact O-CB 3.38Å; S289-A292 PolarHBondContact O-N 3.44Å; Y290-A292 VanDerWaalsContact C-N 3.3Å; Y290-A292 PolarHBondContact O-N 3Å; A292-A295 PolarHBondContact O-N 3.1Å; A292-V296 WeakPolarHBondContact O-CB 3.22Å; A292-V296 VanDerWaalsContact O-CG2 3.28Å; A292-V296 WeakPolarHBondContact O-CG2 3.28Å; A292-V296 PolarHBondContact O-N 2.7Å; A292-L318 HydrophobicContact CB-CD2 3.76Å; A292-L318 HydrophobicContact CB-CG 4.03Å
293S85.7Confident89.9Confident46 Ų4631.4 Ų31.432%0.32216%0.163SC..Hα-helixtrans-63.7-43.1179.870.40000111.6S289 Y290 S297 T321S289-S293 PolarHBondContact O-N 3.47Å; S289-S293 VanDerWaalsContact O-N 3.16Å; Y290-S293 PolarHBondContact O-N 3.18Å; Y290-S293 PolarHBondContact O-OG 3.02Å; S293-S297 WeakPolarHBondContact O-CB 3.45Å; S293-S297 PolarHBondContact O-N 2.81Å; S293-T321 PolarHBondContact N-OG1 3.25Å
294L87.3Confident89.6Confident26 Ų2635.1 Ų35.114%0.13618%0.18CC..Hα-helixtrans-64.3-46.6175.4-65.3178.3000111.9L263 V265 I268 Y290 T291 S297 E298L263-L294 HydrophobicContact CD2-CD1 4.14Å; V265-L294 HydrophobicContact CG2-CD2 4.25Å; I268-L294 HydrophobicContact CD1-CB 3.88Å; I268-L294 HydrophobicContact CD1-CD1 3.9Å; Y290-L294 HydrophobicContact CD1-CD1 4.15Å; Y290-L294 HydrophobicContact CE1-CD1 3.58Å; Y290-L294 HydrophobicContact CE1-CG 4.45Å; Y290-L294 PolarHBondContact O-N 3.24Å; T291-L294 PolarHBondContact O-N 2.87Å; L294-S297 PolarHBondContact O-N 3.42Å; L294-S297 PolarHBondContact O-OG 3.32Å; L294-E298 PolarHBondContact O-N 3.46Å
295A91.4Very high89.3Confident0 Ų039.6 Ų39.60%021%0.21CC..Hα-helixtrans-60.9-47.1178.800000111.4L258 L272 T291 A292 S297 E298 L299L258-A295 HydrophobicContact CD1-CB 3.96Å; L272-A295 HydrophobicContact CD1-CB 4.11Å; T291-A295 VanDerWaalsContact O-CB 3.25Å; T291-A295 WeakPolarHBondContact O-CB 3.42Å; T291-A295 PolarHBondContact O-N 3.29Å; A292-A295 PolarHBondContact O-N 3.1Å; A295-S297 PolarHBondContact O-N 3.46Å; A295-E298 PolarHBondContact O-N 3.43Å; A295-L299 VanDerWaalsContact O-CG 3.25Å; A295-L299 WeakPolarHBondContact O-CG 3.28Å; A295-L299 PolarHBondContact O-N 2.62Å
296V90.1Very high89.1Confident5 Ų542 Ų423%0.0322%0.223CC..Hα-helixtrans-61.5-43.5176.3168.80000110.9A292 E298 L299 L300 L318 T321 F342A292-V296 WeakPolarHBondContact O-CB 3.22Å; A292-V296 VanDerWaalsContact O-CG2 3.28Å; A292-V296 WeakPolarHBondContact O-CG2 3.28Å; A292-V296 PolarHBondContact O-N 2.7Å; V296-E298 PolarHBondContact O-N 3.17Å; V296-L299 PolarHBondContact O-N 3.39Å; V296-L300 HydrophobicContact CG1-CD1 4.26Å; V296-L300 WeakPolarHBondContact O-CG 3.49Å; V296-L300 PolarHBondContact O-N 3.43Å; V296-L318 HydrophobicContact CG2-CD2 3.76Å; V296-T321 HydrophobicContact CB-CG2 3.8Å; V296-T321 HydrophobicContact CG1-CG2 3.85Å; V296-T321 HydrophobicContact CG2-CG2 3.85Å; V296-F342 HydrophobicContact CG1-CE2 3.88Å; V296-F342 HydrophobicContact CG1-CZ 4.39Å
297S87.6Confident88.9Confident49 Ų4942.2 Ų42.234%0.34322%0.224SC..Hα-helixtrans-59.6-33.7177.9800000112.9S293 L294 A295S293-S297 WeakPolarHBondContact O-CB 3.45Å; S293-S297 PolarHBondContact O-N 2.81Å; L294-S297 PolarHBondContact O-N 3.42Å; L294-S297 PolarHBondContact O-OG 3.32Å; A295-S297 PolarHBondContact O-N 3.46Å
298E90.4Very high88.7Confident18 Ų1843.7 Ų43.78%0.08423%0.231CC..Hα-helixtrans-82.5-35.8-179.9-176.555.5-152.100112.3G269 L272 L294 A295 V296 L300 K301 W302G269-E298 WeakPolarHBondContact CA-OE1 3.47Å; L272-E298 HydrophobicContact CD1-CB 4.28Å; L272-E298 HydrophobicContact CD1-CG 4.3Å; L294-E298 PolarHBondContact O-N 3.46Å; A295-E298 PolarHBondContact O-N 3.43Å; V296-E298 PolarHBondContact O-N 3.17Å; E298-L300 VanDerWaalsContact C-N 3.32Å; E298-K301 WeakPolarHBondContact O-CB 3.09Å; E298-K301 PolarHBondContact O-N 2.9Å; E298-K301 WeakPolarHBondContact OE2-CD 3.4Å; E298-K301 WeakPolarHBondContact OE2-CE 3.4Å; E298-K301 IonicContact OE2-NZ 2.8Å; E298-K301 PolarHBondContact OE2-NZ 3.48Å; E298-W302 VanDerWaalsContact O-CD1 3.29Å
299L92Very high88.8Confident1 Ų146.3 Ų46.31%0.00524%0.237CC..Hα-helixtrans-61.9-40171.3-71.5173000111.4L272 A295 V296 K301 W302 L307 W312 F342L272-L299 HydrophobicContact CB-CD2 4.47Å; L272-L299 HydrophobicContact CD1-CD2 4.24Å; L272-L299 HydrophobicContact CD1-CG 4.14Å; A295-L299 VanDerWaalsContact O-CG 3.25Å; A295-L299 WeakPolarHBondContact O-CG 3.28Å; A295-L299 PolarHBondContact O-N 2.62Å; V296-L299 PolarHBondContact O-N 3.39Å; L299-K301 PolarHBondContact O-N 3.3Å; L299-K301 VanDerWaalsContact O-N 3.07Å; L299-W302 HydrophobicContact CD2-CD2 4.1Å; L299-W302 HydrophobicContact CD2-CE3 4.11Å; L299-W302 HydrophobicContact CD2-CH2 3.77Å; L299-W302 HydrophobicContact CD2-CZ2 3.75Å; L299-W302 HydrophobicContact CD2-CZ3 3.95Å; L299-W302 VanDerWaalsContact O-CB 3.24Å; L299-W302 WeakPolarHBondContact O-CB 3.41Å; L299-W302 PolarHBondContact O-N 3.18Å; L299-L307 HydrophobicContact CB-CD2 4.13Å; L299-L307 WeakPolarHBondContact O-CD1 3.41Å; L299-L307 WeakPolarHBondContact O-CD2 3.43Å; L299-W312 HydrophobicContact CD1-CD2 4.38Å; L299-W312 HydrophobicContact CD1-CE3 4.29Å; L299-W312 HydrophobicContact CD1-CH2 3.61Å; L299-W312 HydrophobicContact CD1-CZ2 3.76Å; L299-W312 HydrophobicContact CD1-CZ3 3.9Å; L299-W312 HydrophobicContact CD2-CH2 3.53Å; L299-W312 HydrophobicContact CD2-CZ2 3.57Å; L299-W312 HydrophobicContact CG-CH2 4.23Å; L299-W312 HydrophobicContact CG-CZ2 4.29Å; L299-F342 HydrophobicContact CB-CE1 4.15Å; L299-F342 HydrophobicContact CB-CZ 3.57Å; L299-F342 HydrophobicContact CD1-CE1 4.05Å; L299-F342 HydrophobicContact CD1-CZ 3.87Å; L299-F342 HydrophobicContact CG-CZ 4.37Å
300L88.8Confident89.3Confident56 Ų5644.7 Ų44.729%0.29323%0.226SC..THydrogen-bonded Turntrans-62.2-16.3177.2-71.8174.2000113.9V296 E298 W302 F342V296-L300 HydrophobicContact CG1-CD1 4.26Å; V296-L300 WeakPolarHBondContact O-CG 3.49Å; V296-L300 PolarHBondContact O-N 3.43Å; E298-L300 VanDerWaalsContact C-N 3.32Å; L300-W302 VanDerWaalsContact C-N 3.31Å; L300-F342 HydrophobicContact CD2-CD2 3.73Å; L300-F342 HydrophobicContact CD2-CE2 3.51Å; L300-F342 HydrophobicContact CG-CD2 4.49Å; L300-F342 HydrophobicContact CG-CE2 3.81Å
301K90.5Very high90Very high130 Ų13039.2 Ų39.257%0.56520%0.204SC*.THydrogen-bonded Turntrans-81.7-9.2173.7-57.7175.5-165.2162.70113.2E298 L299E298-K301 WeakPolarHBondContact O-CB 3.09Å; E298-K301 PolarHBondContact O-N 2.9Å; E298-K301 WeakPolarHBondContact OE2-CD 3.4Å; E298-K301 WeakPolarHBondContact OE2-CE 3.4Å; E298-K301 IonicContact OE2-NZ 2.8Å; E298-K301 PolarHBondContact OE2-NZ 3.48Å; L299-K301 PolarHBondContact O-N 3.3Å; L299-K301 VanDerWaalsContact O-N 3.07Å
302W91.7Very high90.3Very high20 Ų2039.2 Ų39.28%0.07620%0.204CC..SBendtrans-75.9159.9-179.2-6917.5000111.5L272 K273 L275 L276 E298 L299 L300 D306 L307 F310L272-W302 VanDerWaalsContact C-CZ2 3.42Å; L272-W302 HydrophobicContact CB-CH2 4.27Å; L272-W302 HydrophobicContact CB-CZ2 3.68Å; L272-W302 VanDerWaalsContact O-CH2 3.25Å; L272-W302 WeakPolarHBondContact O-CH2 3.39Å; K273-W302 HydrophobicContact CB-CZ2 4.49Å; K273-W302 HydrophobicContact CG-CZ2 3.99Å; L275-W302 HydrophobicContact CB-CH2 4.46Å; L276-W302 HydrophobicContact CD2-CE3 4.11Å; L276-W302 HydrophobicContact CD2-CH2 4.46Å; L276-W302 HydrophobicContact CD2-CZ3 3.79Å; L276-W302 HydrophobicContact CG-CH2 4.26Å; L276-W302 HydrophobicContact CG-CZ3 4.08Å; E298-W302 VanDerWaalsContact O-CD1 3.29Å; L299-W302 HydrophobicContact CD2-CD2 4.1Å; L299-W302 HydrophobicContact CD2-CE3 4.11Å; L299-W302 HydrophobicContact CD2-CH2 3.77Å; L299-W302 HydrophobicContact CD2-CZ2 3.75Å; L299-W302 HydrophobicContact CD2-CZ3 3.95Å; L299-W302 VanDerWaalsContact O-CB 3.24Å; L299-W302 WeakPolarHBondContact O-CB 3.41Å; L299-W302 PolarHBondContact O-N 3.18Å; L300-W302 VanDerWaalsContact C-N 3.31Å; W302-D306 HydrophobicContact CE3-CB 4.3Å; W302-L307 HydrophobicContact CB-CD1 4.31Å; W302-L307 HydrophobicContact CB-CD2 4.26Å; W302-L307 HydrophobicContact CB-CG 3.93Å; W302-L307 HydrophobicContact CE3-CD2 4.28Å; W302-F310 HydrophobicContact CZ3-CD2 4.48Å; W302-F310 HydrophobicContact CZ3-CE2 4.15Å
303N91.6Very high90.5Very high112 Ų11239.2 Ų39.260%0.59920%0.204SC*.  trans-66.4146.9174-55.6-46.8000110.2P305 D306 L307N303-P305 VanDerWaalsContact C-CD 3.49Å; N303-D306 PolarHBondContact ND2-OD2 2.82Å; N303-D306 WeakPolarHBondContact O-CB 3.43Å; N303-D306 PolarHBondContact O-N 2.92Å; N303-L307 PolarHBondContact O-N 2.9Å; N303-L307 VanDerWaalsContact O-N 3.14Å
304Q89Confident90.9Very high78 Ų7837 Ų3736%0.36419%0.189SC..Hα-helixtrans-54.4-43179.8-69.5-64.2-5400114.2D306 L307 D308Q304-D306 VanDerWaalsContact C-N 3.27Å; Q304-D306 PolarHBondContact O-N 3.01Å; Q304-L307 PolarHBondContact O-N 2.96Å; Q304-D308 VanDerWaalsContact O-CB 3.31Å; Q304-D308 WeakPolarHBondContact O-CB 3.37Å; Q304-D308 PolarHBondContact O-N 3.14Å
305P90Very high91.1Very high95 Ų9535.9 Ų35.962%0.61718%0.183SC*.Hα-helixtrans-62.1-33.5176.5-22.934.8000113.7N303 R309N303-P305 VanDerWaalsContact C-CD 3.49Å; P305-R309 PolarHBondContact O-N 3.45Å
306D91.5Very high90.9Very high51 Ų5136.8 Ų36.827%0.27319%0.188SC..Hα-helixtrans-71.4-37.7179.5-65.8-33.2000110.9L276 W302 N303 Q304 F310L276-D306 HydrophobicContact CD2-CB 3.78Å; W302-D306 HydrophobicContact CE3-CB 4.3Å; N303-D306 PolarHBondContact ND2-OD2 2.82Å; N303-D306 WeakPolarHBondContact O-CB 3.43Å; N303-D306 PolarHBondContact O-N 2.92Å; Q304-D306 VanDerWaalsContact C-N 3.27Å; Q304-D306 PolarHBondContact O-N 3.01Å; D306-F310 WeakPolarHBondContact O-CD2 3.22Å
307L89.7Confident90.6Very high4 Ų436.8 Ų36.82%0.02119%0.189CC..Hα-helixtrans-71.5-45.8173.9-73.9170.9000112.5L299 W302 N303 Q304 R309 F310 F342L299-L307 HydrophobicContact CB-CD2 4.13Å; L299-L307 WeakPolarHBondContact O-CD1 3.41Å; L299-L307 WeakPolarHBondContact O-CD2 3.43Å; W302-L307 HydrophobicContact CB-CD1 4.31Å; W302-L307 HydrophobicContact CB-CD2 4.26Å; W302-L307 HydrophobicContact CB-CG 3.93Å; W302-L307 HydrophobicContact CE3-CD2 4.28Å; N303-L307 PolarHBondContact O-N 2.9Å; N303-L307 VanDerWaalsContact O-N 3.14Å; Q304-L307 PolarHBondContact O-N 2.96Å; L307-R309 PolarHBondContact O-N 2.93Å; L307-F310 PolarHBondContact O-N 2.69Å; L307-F342 HydrophobicContact CD2-CD1 4.47Å; L307-F342 HydrophobicContact CD2-CE1 3.99Å; L307-F342 HydrophobicContact CD2-CZ 4.47Å
308D89Confident90.6Very high35 Ų3534.5 Ų34.519%0.18717%0.173CC..Hα-helixtrans-63.9-21.6-176.7-77.3-14.4000113.6Q304 F310 K343 K344Q304-D308 VanDerWaalsContact O-CB 3.31Å; Q304-D308 WeakPolarHBondContact O-CB 3.37Å; Q304-D308 PolarHBondContact O-N 3.14Å; D308-F310 PolarHBondContact O-N 2.92Å; D308-K343 WeakPolarHBondContact OD1-CD 3.2Å; D308-K343 VanDerWaalsContact OD1-CE 3.26Å; D308-K343 WeakPolarHBondContact OD1-CE 3.3Å; D308-K343 VanDerWaalsContact OD1-CG 3.28Å; D308-K343 WeakPolarHBondContact OD1-CG 3.16Å; D308-K343 IonicContact OD1-NZ 2.82Å; D308-K343 WeakPolarHBondContact OD2-CE 3.45Å; D308-K343 IonicContact OD2-NZ 2.85Å; D308-K343 PolarHBondContact OD2-NZ 3.3Å; D308-K344 WeakPolarHBondContact O-CE 3.38Å; D308-K344 PolarHBondContact O-NZ 3.41Å
309R89.4Confident90.1Very high93 Ų9333.8 Ų33.835%0.35117%0.17SC..THydrogen-bonded Turntrans-63.2-32.1173.8178.7178.6172.1-171.7-4.5112.2L276 S278 P305 L307L276-R309 PolarHBondContact O-NH1 3.35Å; S278-R309 PolarHBondContact O-NH2 3.28Å; P305-R309 PolarHBondContact O-N 3.45Å; L307-R309 PolarHBondContact O-N 2.93Å
310F93.1Very high89.3Confident1 Ų135.3 Ų35.30%0.00418%0.18CC..  trans-102.9142.8-170-64.6-68.2000113.3L275 L276 A280 S281 N283 W302 D306 L307 D308 W312 K344L275-F310 HydrophobicContact CB-CZ 4.27Å; L275-F310 WeakPolarHBondContact O-CZ 3.2Å; L276-F310 HydrophobicContact CD2-CE2 3.93Å; A280-F310 WeakPolarHBondContact O-CE1 3.47Å; S281-F310 CarbonylContact O-C 3.54Å; S281-F310 VanDerWaalsContact O-CA 3.26Å; S281-F310 WeakPolarHBondContact O-CA 3.49Å; N283-F310 VanDerWaalsContact ND2-CB 3.31Å; N283-F310 WeakPolarHBondContact ND2-CB 3.29Å; N283-F310 WeakPolarHBondContact ND2-CD1 3.39Å; N283-F310 WeakPolarHBondContact ND2-CG 3.38Å; W302-F310 HydrophobicContact CZ3-CD2 4.48Å; W302-F310 HydrophobicContact CZ3-CE2 4.15Å; D306-F310 WeakPolarHBondContact O-CD2 3.22Å; L307-F310 PolarHBondContact O-N 2.69Å; D308-F310 PolarHBondContact O-N 2.92Å; F310-W312 HydrophobicContact CB-CZ2 4.27Å; F310-W312 HydrophobicContact CD2-CZ2 4.35Å; F310-W312 HydrophobicContact CG-CZ2 4.48Å; F310-K344 WeakPolarHBondContact O-CB 3.34Å
311L93.8Very high88.8Confident2 Ų233.4 Ų33.41%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-92.8130.2157174.564.1000108.7W219 S281 V282 N283 I313 K344 I346 I528W219-L311 HydrophobicContact CD2-CD2 4.31Å; W219-L311 HydrophobicContact CE3-CD2 3.95Å; W219-L311 HydrophobicContact CH2-CD2 3.31Å; W219-L311 HydrophobicContact CZ2-CD2 3.7Å; W219-L311 HydrophobicContact CZ3-CD2 3.44Å; W219-L311 VanDerWaalsContact CZ3-CD2 3.44Å; S281-L311 PolarHBondContact O-N 2.87Å; V282-L311 HydrophobicContact CG1-CD2 4.2Å; V282-L311 HydrophobicContact CG2-CB 4.3Å; V282-L311 HydrophobicContact CG2-CD2 4.13Å; N283-L311 PolarHBondContact N-O 3.25Å; L311-I313 HydrophobicContact CD2-CD1 4.14Å; L311-I313 HydrophobicContact CD2-CG1 4.07Å; L311-I313 HydrophobicContact CG-CG1 4.21Å; L311-K344 HydrophobicContact CD1-CB 4.17Å; L311-I346 HydrophobicContact CD1-CD1 3.99Å; L311-I346 HydrophobicContact CD1-CG1 4.01Å; L311-I346 HydrophobicContact CD2-CD1 4.1Å; L311-I528 HydrophobicContact CB-CD1 3.96Å; L311-I528 HydrophobicContact CB-CG2 4.23Å; L311-I528 HydrophobicContact CD1-CD1 3.64Å; L311-I528 HydrophobicContact CD2-CD1 3.74Å; L311-I528 HydrophobicContact CG-CD1 3.94Å
312W93.8Very high88.2Confident1 Ų127.5 Ų27.50%0.00415%0.145CC..EExtended strand (participates in β ladder)trans-105.7124.8174.2-61.591.4000110.2V225 L275 N283 L285 L299 F310 F342 K344 F345 I346V225-W312 HydrophobicContact CG2-CZ3 4.36Å; L275-W312 HydrophobicContact CD1-CH2 3.66Å; L275-W312 HydrophobicContact CD1-CZ3 4.11Å; N283-W312 HydrophobicContact CB-CD2 4.02Å; N283-W312 HydrophobicContact CB-CE3 3.38Å; N283-W312 HydrophobicContact CB-CH2 4.25Å; N283-W312 HydrophobicContact CB-CZ3 3.54Å; N283-W312 VanDerWaalsContact ND2-CH2 3.27Å; N283-W312 WeakPolarHBondContact ND2-CH2 3.37Å; N283-W312 VanDerWaalsContact ND2-CZ2 3.31Å; N283-W312 WeakPolarHBondContact ND2-CZ2 3.25Å; N283-W312 WeakPolarHBondContact ND2-CZ3 3.28Å; N283-W312 WeakPolarHBondContact O-CA 3.39Å; L285-W312 HydrophobicContact CD1-CB 3.91Å; L285-W312 HydrophobicContact CD1-CD2 4.27Å; L285-W312 HydrophobicContact CD1-CE3 3.55Å; L285-W312 HydrophobicContact CD1-CG 4.47Å; L285-W312 HydrophobicContact CD1-CZ3 4.42Å; L285-W312 HydrophobicContact CD2-CE3 4.23Å; L285-W312 HydrophobicContact CD2-CZ3 4.32Å; L285-W312 HydrophobicContact CG-CE3 3.96Å; L285-W312 HydrophobicContact CG-CZ3 4.4Å; L299-W312 HydrophobicContact CD1-CD2 4.38Å; L299-W312 HydrophobicContact CD1-CE3 4.29Å; L299-W312 HydrophobicContact CD1-CH2 3.61Å; L299-W312 HydrophobicContact CD1-CZ2 3.76Å; L299-W312 HydrophobicContact CD1-CZ3 3.9Å; L299-W312 HydrophobicContact CD2-CH2 3.53Å; L299-W312 HydrophobicContact CD2-CZ2 3.57Å; L299-W312 HydrophobicContact CG-CH2 4.23Å; L299-W312 HydrophobicContact CG-CZ2 4.29Å; F310-W312 HydrophobicContact CB-CZ2 4.27Å; F310-W312 HydrophobicContact CD2-CZ2 4.35Å; F310-W312 HydrophobicContact CG-CZ2 4.48Å; W312-F342 AromaticContact CD1-CD1 3.72Å; W312-F342 AromaticContact CD1-CE1 3.81Å; W312-F342 HydrophobicContact CG-CD1 4.43Å; W312-F342 HydrophobicContact CG-CE1 4.29Å; W312-F342 AromaticContact NE1-CD1 3.93Å; W312-F342 AromaticContact NE1-CE1 3.71Å; W312-K344 PolarHBondContact N-O 2.86Å; W312-K344 VanDerWaalsContact N-O 3.13Å; W312-F345 HydrophobicContact CB-CD1 4.42Å; W312-F345 HydrophobicContact CB-CD2 3.52Å; W312-F345 HydrophobicContact CB-CE1 4.34Å; W312-F345 HydrophobicContact CB-CE2 3.45Å; W312-F345 VanDerWaalsContact CB-CE2 3.45Å; W312-F345 HydrophobicContact CB-CG 4.02Å; W312-F345 HydrophobicContact CB-CZ 3.89Å; W312-F345 HydrophobicContact CG-CD2 4.18Å; W312-F345 HydrophobicContact CG-CE2 4.08Å; W312-F345 CarbonylContact O-C 3.57Å; W312-F345 WeakPolarHBondContact O-CA 3.22Å; W312-I346 PolarHBondContact O-N 3.08Å
313I95.2Very high86.9Confident0 Ų030.9 Ų30.90%016%0.158CC..EExtended strand (participates in β ladder)trans-110.9118.6174.5-57.6176.9000107.5L213 L214 W219 V282 N283 I284 L285 L311 I346 V348L213-I313 HydrophobicContact CD2-CD1 4.26Å; L214-I313 HydrophobicContact CD2-CD1 4Å; W219-I313 HydrophobicContact CE3-CD1 4.34Å; W219-I313 HydrophobicContact CZ3-CD1 4.23Å; V282-I313 HydrophobicContact CG1-CD1 3.71Å; V282-I313 HydrophobicContact CG1-CG1 4.29Å; N283-I313 PolarHBondContact O-N 3.12Å; I284-I313 CarbonylContact C-O 3.58Å; I284-I313 WeakPolarHBondContact CA-O 3.41Å; L285-I313 PolarHBondContact N-O 3.33Å; L311-I313 HydrophobicContact CD2-CD1 4.14Å; L311-I313 HydrophobicContact CD2-CG1 4.07Å; L311-I313 HydrophobicContact CG-CG1 4.21Å; I313-I346 CarbonylContact C-O 3.57Å; I313-I346 WeakPolarHBondContact CA-O 3.47Å; I313-I346 HydrophobicContact CG1-CB 4.36Å; I313-V348 HydrophobicContact CG2-CG2 4.22Å
314G93.8Very high85.6Confident0 Ų026.8 Ų26.80%014%0.135CC..EExtended strand (participates in β ladder)trans-118.5162.3-179.500000113.4I346 L347 V348G314-I346 PolarHBondContact N-O 3.3Å; G314-L347 WeakPolarHBondContact O-CA 3.23Å; G314-V348 PolarHBondContact O-N 3.39Å
315T91.9Very high84.1Confident2 Ų223.4 Ų23.41%0.01212%0.12CC..  trans-111.7-167.8174.165.90000111.2T206 I210 L286 G317 L318T206-T315 HydrophobicContact CG2-CG2 3.94Å; I210-T315 HydrophobicContact CD1-CG2 3.88Å; L286-T315 HydrophobicContact CD2-CG2 4.22Å; T315-G317 PolarHBondContact O-N 3.34Å; T315-L318 PolarHBondContact O-N 2.92Å
316N85.6Confident82.4Confident19 Ų1921.8 Ų21.810%0.10210%0.102CC..G310 helixtrans-51.8-23.2175.365-40.6000115L318 I319 Y418N316-L318 PolarHBondContact O-N 3.12Å; N316-L318 VanDerWaalsContact O-N 3.14Å; N316-I319 HydrophobicContact CB-CD1 3.81Å; N316-I319 WeakPolarHBondContact O-CB 3.35Å; N316-I319 WeakPolarHBondContact O-CD1 3.26Å; N316-I319 VanDerWaalsContact O-CG1 3.29Å; N316-I319 WeakPolarHBondContact O-CG1 3.43Å; N316-I319 PolarHBondContact O-N 3.17Å; N316-I319 VanDerWaalsContact O-N 3.16Å; N316-Y418 HydrophobicContact CB-CE1 4.29Å
317G84.4Confident80.4Confident5 Ų522.7 Ų22.75%0.05211%0.106CC..G310 helixtrans-55.3-30.4174.100000113.1S289 T315S289-G317 WeakPolarHBondContact CA-O 3.41Å; S289-G317 WeakPolarHBondContact CB-O 3.23Å; S289-G317 PolarHBondContact OG-O 3.46Å; T315-G317 PolarHBondContact O-N 3.34Å
318L87.7Confident78.5Confident1 Ų123.8 Ų23.81%0.00511%0.113CC..G310 helixtrans-87.2-2.6-177.2-78148.6000114.9L285 A292 V296 T315 N316 S320 T321 F322 F345 L347L285-L318 HydrophobicContact CB-CD1 4.13Å; L285-L318 HydrophobicContact CD1-CD1 4.16Å; A292-L318 HydrophobicContact CB-CD2 3.76Å; A292-L318 HydrophobicContact CB-CG 4.03Å; V296-L318 HydrophobicContact CG2-CD2 3.76Å; T315-L318 PolarHBondContact O-N 2.92Å; N316-L318 PolarHBondContact O-N 3.12Å; N316-L318 VanDerWaalsContact O-N 3.14Å; L318-S320 VanDerWaalsContact C-N 3.34Å; L318-S320 PolarHBondContact O-N 3.29Å; L318-T321 HydrophobicContact CD2-CG2 4.41Å; L318-T321 WeakPolarHBondContact O-CA 3.38Å; L318-T321 WeakPolarHBondContact O-CB 3.45Å; L318-T321 PolarHBondContact O-N 2.94Å; L318-T321 VanDerWaalsContact O-N 3.07Å; L318-F322 HydrophobicContact CB-CD2 3.86Å; L318-F322 HydrophobicContact CB-CE2 3.91Å; L318-F322 HydrophobicContact CD2-CD2 4.4Å; L318-F322 HydrophobicContact CD2-CE2 3.78Å; L318-F322 HydrophobicContact CD2-CZ 4.45Å; L318-F322 HydrophobicContact CG-CE2 4.29Å; L318-F322 WeakPolarHBondContact O-CD2 3.32Å; L318-F322 PolarHBondContact O-N 3.35Å; L318-F345 HydrophobicContact CD1-CE1 4Å; L318-F345 HydrophobicContact CD1-CZ 3.8Å; L318-F345 HydrophobicContact CD2-CZ 4.29Å; L318-L347 HydrophobicContact CB-CD2 3.83Å; L318-L347 HydrophobicContact CD1-CD2 4.06Å
319I80.6Confident76.7Confident4 Ų430.2 Ų30.22%0.02114%0.142CC..THydrogen-bonded Turntrans-58.4-46.7-177.9-67.7168.7000111.1N316 T321 F322 R323 L325 L349 Y418 Y419N316-I319 HydrophobicContact CB-CD1 3.81Å; N316-I319 WeakPolarHBondContact O-CB 3.35Å; N316-I319 WeakPolarHBondContact O-CD1 3.26Å; N316-I319 VanDerWaalsContact O-CG1 3.29Å; N316-I319 WeakPolarHBondContact O-CG1 3.43Å; N316-I319 PolarHBondContact O-N 3.17Å; N316-I319 VanDerWaalsContact O-N 3.16Å; I319-T321 PolarHBondContact O-N 2.77Å; I319-F322 CarbonylContact O-C 3.57Å; I319-F322 PolarHBondContact O-N 3.01Å; I319-F322 VanDerWaalsContact O-N 3.14Å; I319-R323 PolarHBondContact O-N 3.49Å; I319-L325 HydrophobicContact CB-CD1 4.25Å; I319-L325 HydrophobicContact CG1-CD1 4.12Å; I319-L325 HydrophobicContact CG2-CD1 4.1Å; I319-L349 HydrophobicContact CD1-CD2 3.93Å; I319-L349 HydrophobicContact CG1-CD1 4.39Å; I319-L349 HydrophobicContact CG1-CD2 3.75Å; I319-Y418 HydrophobicContact CD1-CD1 3.28Å; I319-Y418 HydrophobicContact CD1-CD2 3.76Å; I319-Y418 HydrophobicContact CD1-CE1 3.41Å; I319-Y418 VanDerWaalsContact CD1-CE1 3.41Å; I319-Y418 HydrophobicContact CD1-CE2 3.89Å; I319-Y418 HydrophobicContact CD1-CG 3.44Å; I319-Y418 VanDerWaalsContact CD1-CG 3.44Å; I319-Y419 HydrophobicContact CD1-CE2 4.29Å; I319-Y419 HydrophobicContact CG2-CE2 4.45Å
320S75.4Confident74.7Confident33 Ų3333 Ų3323%0.23116%0.164CC..THydrogen-bonded Turntrans-69.8-18.9179.557.40000113.8S289 L318 R323S289-S320 WeakPolarHBondContact CB-OG 3.25Å; S289-S320 PolarHBondContact OG-OG 3.47Å; L318-S320 VanDerWaalsContact C-N 3.34Å; L318-S320 PolarHBondContact O-N 3.29Å; S320-R323 WeakPolarHBondContact O-CG 3.07Å; S320-R323 PolarHBondContact O-NE 2.79Å
321T78Confident72.6Confident16 Ų1636.6 Ų36.610%0.09818%0.179CC..THydrogen-bonded Turntrans-80.8-35.6172.3-53.30000111S293 V296 L318 I319 F339S293-T321 PolarHBondContact N-OG1 3.25Å; V296-T321 HydrophobicContact CB-CG2 3.8Å; V296-T321 HydrophobicContact CG1-CG2 3.85Å; V296-T321 HydrophobicContact CG2-CG2 3.85Å; L318-T321 HydrophobicContact CD2-CG2 4.41Å; L318-T321 WeakPolarHBondContact O-CA 3.38Å; L318-T321 WeakPolarHBondContact O-CB 3.45Å; L318-T321 PolarHBondContact O-N 2.94Å; L318-T321 VanDerWaalsContact O-N 3.07Å; I319-T321 PolarHBondContact O-N 2.77Å; T321-F339 WeakPolarHBondContact O-CE1 3.32Å; T321-F339 WeakPolarHBondContact O-CZ 3.4Å
322F77.7Confident70.6Confident6 Ų640.6 Ų40.63%0.02620%0.201CC..  trans-107.265.7177.2-60.4-61.4000110.7L318 I319 E324 L325 F339 F345 L347 W499L318-F322 HydrophobicContact CB-CD2 3.86Å; L318-F322 HydrophobicContact CB-CE2 3.91Å; L318-F322 HydrophobicContact CD2-CD2 4.4Å; L318-F322 HydrophobicContact CD2-CE2 3.78Å; L318-F322 HydrophobicContact CD2-CZ 4.45Å; L318-F322 HydrophobicContact CG-CE2 4.29Å; L318-F322 WeakPolarHBondContact O-CD2 3.32Å; L318-F322 PolarHBondContact O-N 3.35Å; I319-F322 CarbonylContact O-C 3.57Å; I319-F322 PolarHBondContact O-N 3.01Å; I319-F322 VanDerWaalsContact O-N 3.14Å; F322-E324 PolarHBondContact O-N 3.33Å; F322-E324 VanDerWaalsContact O-N 3.15Å; F322-L325 HydrophobicContact CB-CD1 4.19Å; F322-L325 HydrophobicContact CB-CG 4.19Å; F322-L325 VanDerWaalsContact O-CD1 3.24Å; F322-L325 WeakPolarHBondContact O-CD1 3.45Å; F322-L325 VanDerWaalsContact O-CG 3.22Å; F322-L325 WeakPolarHBondContact O-CG 3.47Å; F322-L325 PolarHBondContact O-N 3.24Å; F322-F339 AromaticContact CD1-CD1 3.7Å; F322-F339 HydrophobicContact CD1-CD1 3.7Å; F322-F339 AromaticContact CD1-CE1 3.5Å; F322-F339 HydrophobicContact CD1-CE1 3.5Å; F322-F339 HydrophobicContact CD1-CZ 4.33Å; F322-F339 AromaticContact CE1-CD1 3.69Å; F322-F339 HydrophobicContact CE1-CD1 3.69Å; F322-F339 AromaticContact CE1-CE1 3.81Å; F322-F339 HydrophobicContact CE1-CE1 3.81Å; F322-F345 HydrophobicContact CE2-CD1 4.22Å; F322-F345 AromaticContact CE2-CE1 3.72Å; F322-F345 HydrophobicContact CE2-CE1 3.72Å; F322-F345 HydrophobicContact CE2-CE2 4.11Å; F322-F345 AromaticContact CE2-CZ 3.64Å; F322-F345 HydrophobicContact CE2-CZ 3.64Å; F322-F345 HydrophobicContact CZ-CD1 4.4Å; F322-F345 HydrophobicContact CZ-CD2 4.05Å; F322-F345 HydrophobicContact CZ-CE1 4.13Å; F322-F345 AromaticContact CZ-CE2 3.73Å; F322-F345 HydrophobicContact CZ-CE2 3.73Å; F322-F345 HydrophobicContact CZ-CG 4.39Å; F322-F345 AromaticContact CZ-CZ 3.77Å; F322-F345 HydrophobicContact CZ-CZ 3.77Å; F322-L347 HydrophobicContact CD2-CD1 3.74Å; F322-L347 HydrophobicContact CD2-CD2 4.12Å; F322-L347 HydrophobicContact CD2-CG 4.45Å; F322-L347 HydrophobicContact CE2-CD1 4.3Å; F322-L347 HydrophobicContact CE2-CD2 4.1Å; F322-L347 HydrophobicContact CG-CD1 4.41Å; F322-W499 HydrophobicContact CB-CZ2 4.23Å; F322-W499 AromaticContact CD1-CZ2 3.79Å; F322-W499 HydrophobicContact CD1-CZ2 3.79Å; F322-W499 HydrophobicContact CD2-CH2 4.36Å; F322-W499 HydrophobicContact CD2-CZ2 4.05Å; F322-W499 HydrophobicContact CE1-CZ2 4.1Å; F322-W499 HydrophobicContact CE2-CH2 4.35Å; F322-W499 HydrophobicContact CE2-CZ2 4.32Å; F322-W499 AromaticContact CG-CZ2 3.77Å; F322-W499 HydrophobicContact CG-CZ2 3.77Å; F322-W499 HydrophobicContact CZ-CZ2 4.35Å
323R64.7Low68.7Low91 Ų9145.2 Ų45.234%0.34323%0.231SC..THydrogen-bonded Turntrans-59-27.6-177.9-60.6-155.8-178178.6-2.5112.8I319 S320 L325 Y411 D415I319-R323 PolarHBondContact O-N 3.49Å; S320-R323 WeakPolarHBondContact O-CG 3.07Å; S320-R323 PolarHBondContact O-NE 2.79Å; R323-L325 PolarHBondContact O-N 3.06Å; R323-L325 VanDerWaalsContact O-N 3.13Å; R323-Y411 PolarHBondContact NH1-OH 2.76Å; R323-Y411 VanDerWaalsContact NH1-OH 3.16Å; R323-D415 WeakPolarHBondContact CA-OD1 3.5Å; R323-D415 WeakPolarHBondContact CB-OD1 3.07Å; R323-D415 VanDerWaalsContact CG-OD2 3.23Å; R323-D415 WeakPolarHBondContact CG-OD2 3.34Å; R323-D415 IonicContact NE-OD2 3.4Å
324E62.8Low66.6Low26 Ų2649.1 Ų49.112%0.12126%0.255CS..THydrogen-bonded Turntrans-84.337.7177-5284.3-179.600114F322 Y326 F331 F339F322-E324 PolarHBondContact O-N 3.33Å; F322-E324 VanDerWaalsContact O-N 3.15Å; E324-Y326 PolarHBondContact O-N 2.7Å; E324-F331 HydrophobicContact CB-CE1 4.4Å; E324-F331 HydrophobicContact CB-CE2 4.4Å; E324-F331 HydrophobicContact CB-CZ 3.73Å; E324-F331 HydrophobicContact CG-CE1 4.09Å; E324-F331 HydrophobicContact CG-CZ 3.62Å; E324-F339 WeakPolarHBondContact OE2-CE2 3.49Å; E324-F339 WeakPolarHBondContact OE2-CZ 3.2Å
325L59.1Low64.5Low7 Ų754.2 Ų54.24%0.03728%0.275CS..  trans-67.214.1174.3-91157.7000114.3I319 F322 R323 L327 L347 L349 L490 W499I319-L325 HydrophobicContact CB-CD1 4.25Å; I319-L325 HydrophobicContact CG1-CD1 4.12Å; I319-L325 HydrophobicContact CG2-CD1 4.1Å; F322-L325 HydrophobicContact CB-CD1 4.19Å; F322-L325 HydrophobicContact CB-CG 4.19Å; F322-L325 VanDerWaalsContact O-CD1 3.24Å; F322-L325 WeakPolarHBondContact O-CD1 3.45Å; F322-L325 VanDerWaalsContact O-CG 3.22Å; F322-L325 WeakPolarHBondContact O-CG 3.47Å; F322-L325 PolarHBondContact O-N 3.24Å; R323-L325 PolarHBondContact O-N 3.06Å; R323-L325 VanDerWaalsContact O-N 3.13Å; L325-L327 PolarHBondContact O-N 3.45Å; L325-L347 HydrophobicContact CD1-CD1 4.47Å; L325-L347 HydrophobicContact CD2-CD1 3.84Å; L325-L349 HydrophobicContact CD1-CD1 4.19Å; L325-L349 HydrophobicContact CD2-CD1 4.03Å; L325-L490 HydrophobicContact CD2-CD1 3.34Å; L325-W499 HydrophobicContact CD2-CD2 4.27Å; L325-W499 HydrophobicContact CD2-CG 4.28Å
326Y54.1Low62.5Low61 Ų6155.1 Ų55.124%0.23928%0.282CS..  trans-63.9125.2175.8-75.2-71000111.4E324 T328 F331 Y413 R414E324-Y326 PolarHBondContact O-N 2.7Å; Y326-T328 HydrophobicContact CD1-CG2 4.33Å; Y326-T328 PolarHBondContact O-N 2.99Å; Y326-F331 HydrophobicContact CD2-CE2 4.17Å; Y326-Y413 PolarHBondContact OH-O 3.49Å; Y326-R414 VanDerWaalsContact CE2-CA 3.49Å; Y326-R414 HydrophobicContact CE2-CB 4.05Å; Y326-R414 HydrophobicContact CE2-CG 4.08Å; Y326-R414 WeakPolarHBondContact CE2-O 3.12Å; Y326-R414 WeakPolarHBondContact OH-CA 3.49Å; Y326-R414 PolarHBondContact OH-N 3.31Å; Y326-R414 VanDerWaalsContact OH-N 3.13Å
327L48.7Very low60.7Low70 Ų7060.3 Ų60.337%0.36630%0.304SS..  trans-78.213.8173.3-64.1170.7000112.7L325 L490 V501L325-L327 PolarHBondContact O-N 3.45Å; L327-L490 HydrophobicContact CD2-CD2 3.87Å; L327-V501 HydrophobicContact CD1-CG2 4.35Å; L327-V501 HydrophobicContact CD2-CG2 4.28Å
328T50.1Low59.2Low27 Ų2766.9 Ų66.917%0.16633%0.334CS..  trans-81.4157.5-168.5590000114.1Y326Y326-T328 HydrophobicContact CD1-CG2 4.33Å; Y326-T328 PolarHBondContact O-N 2.99Å
329E49.9Very low57.8Low169 Ų16968.3 Ų68.379%0.7934%0.34SS*.SBendtrans-84-25.3178.2-68.9-171.7165.800113.8K498E329-K498 VanDerWaalsContact C-NZ 3.31Å; E329-K498 PolarHBondContact O-NZ 2.84Å
330D47.7Very low56.7Low151 Ų15172.8 Ų72.881%0.80736%0.36SS*.  trans-102.3108.1-177-63.5-39.8000110.1
331F50.6Low56.4Low77 Ų7771.5 Ų71.534%0.33835%0.352SS..  trans-137.7140.8178.4-141-90.4000111.5E324 Y326 P333E324-F331 HydrophobicContact CB-CE1 4.4Å; E324-F331 HydrophobicContact CB-CE2 4.4Å; E324-F331 HydrophobicContact CB-CZ 3.73Å; E324-F331 HydrophobicContact CG-CE1 4.09Å; E324-F331 HydrophobicContact CG-CZ 3.62Å; Y326-F331 HydrophobicContact CD2-CE2 4.17Å; F331-P333 VanDerWaalsContact O-CD 3.3Å; F331-P333 WeakPolarHBondContact O-CD 3.41Å
332D50.7Low56.5Low87 Ų8771.2 Ų71.247%0.46535%0.349SS..  trans-74114171.4-170.1-19.2000109.6V334 Y335D332-V334 PolarHBondContact O-N 3.18Å; D332-V334 WeakPolarHBondContact OD1-CB 3.18Å; D332-V334 WeakPolarHBondContact OD1-CG2 3.5Å; D332-V334 PolarHBondContact OD1-N 3.08Å; D332-V334 VanDerWaalsContact OD1-N 3.1Å; D332-Y335 HydrophobicContact CB-CD2 4.31Å; D332-Y335 PolarHBondContact O-N 2.89Å
333P53.2Low56.7Low97 Ų9774.9 Ų74.963%0.6337%0.365SS*.THydrogen-bonded Turntrans-61.8-11.9-177.724-33.1000114.1F331F331-P333 VanDerWaalsContact O-CD 3.3Å; F331-P333 WeakPolarHBondContact O-CD 3.41Å
334V52.3Low57.8Low83 Ų8372.2 Ų72.250%0.50336%0.356SS..THydrogen-bonded Turntrans-64-38.6178177.10000112.1D332 K337D332-V334 PolarHBondContact O-N 3.18Å; D332-V334 WeakPolarHBondContact OD1-CB 3.18Å; D332-V334 WeakPolarHBondContact OD1-CG2 3.5Å; D332-V334 PolarHBondContact OD1-N 3.08Å; D332-V334 VanDerWaalsContact OD1-N 3.1Å; V334-K337 WeakPolarHBondContact O-CB 3.38Å; V334-K337 WeakPolarHBondContact O-CG 3.43Å
335Y49.6Very low59Low106 Ų10671 Ų7142%0.41635%0.351SS..G310 helixtrans-85.5-25.4-177.4-64.9-77.8000113.6D332 K337 Q338D332-Y335 HydrophobicContact CB-CD2 4.31Å; D332-Y335 PolarHBondContact O-N 2.89Å; Y335-K337 PolarHBondContact O-N 3.49Å; Y335-Q338 PolarHBondContact O-N 3.32Å
336A50.1Low60.6Low21 Ų2170.7 Ų70.717%0.17435%0.349CS..G310 helixtrans-56.7-17.6169.700000112.7Q338 F339 F497A336-Q338 PolarHBondContact O-N 3.32Å; A336-F339 PolarHBondContact O-N 2.96Å; A336-F497 HydrophobicContact CB-CB 4.32Å
337K47.9Very low62.5Low129 Ų12967.8 Ų67.856%0.56134%0.338SS*.G310 helixtrans-66.7-26.9-177.9-65.6-176.1174.6173.70115.3V334 Y335 F339 H340V334-K337 WeakPolarHBondContact O-CB 3.38Å; V334-K337 WeakPolarHBondContact O-CG 3.43Å; Y335-K337 PolarHBondContact O-N 3.49Å; K337-F339 PolarHBondContact O-N 3.5Å; K337-H340 WeakPolarHBondContact CA-CD2 3.18Å; K337-H340 WeakPolarHBondContact CA-NE2 3.47Å; K337-H340 WeakPolarHBondContact CG-NE2 3.1Å; K337-H340 PolarHBondContact O-CD2 3.48Å
338Q52.9Low64.7Low143 Ų14364.5 Ų64.567%0.66832%0.32SS*.G310 helixtrans-66.8-20.3-179.8-89.9-176.5-14.700113.1Y335 A336Y335-Q338 PolarHBondContact O-N 3.32Å; A336-Q338 PolarHBondContact O-N 3.32Å
339F57.7Low66.7Low30 Ų3063.3 Ų63.313%0.13231%0.313CS..G310 helixtrans-110.912.6-171.5-59.4-81.4000114.4T321 F322 E324 A336 K337 G341 F342T321-F339 WeakPolarHBondContact O-CE1 3.32Å; T321-F339 WeakPolarHBondContact O-CZ 3.4Å; F322-F339 AromaticContact CD1-CD1 3.7Å; F322-F339 HydrophobicContact CD1-CD1 3.7Å; F322-F339 AromaticContact CD1-CE1 3.5Å; F322-F339 HydrophobicContact CD1-CE1 3.5Å; F322-F339 HydrophobicContact CD1-CZ 4.33Å; F322-F339 AromaticContact CE1-CD1 3.69Å; F322-F339 HydrophobicContact CE1-CD1 3.69Å; F322-F339 AromaticContact CE1-CE1 3.81Å; F322-F339 HydrophobicContact CE1-CE1 3.81Å; E324-F339 WeakPolarHBondContact OE2-CE2 3.49Å; E324-F339 WeakPolarHBondContact OE2-CZ 3.2Å; A336-F339 PolarHBondContact O-N 2.96Å; K337-F339 PolarHBondContact O-N 3.5Å; F339-G341 PolarHBondContact O-N 2.92Å; F339-F342 PolarHBondContact O-N 3.46Å
340H57.4Low68.7Low99 Ų9955.5 Ų55.546%0.45828%0.277SS..THydrogen-bonded Turntrans-53.9-14-178.7-82.2-51.9000115.7K337 F497K337-H340 WeakPolarHBondContact CA-CD2 3.18Å; K337-H340 WeakPolarHBondContact CA-NE2 3.47Å; K337-H340 WeakPolarHBondContact CG-NE2 3.1Å; K337-H340 PolarHBondContact O-CD2 3.48Å; H340-F497 AromaticContact CE1-CE1 3.82Å; H340-F497 AromaticContact ND1-CE1 3.54Å
341G69.4Low70.7Confident5 Ų551.2 Ų51.25%0.05225%0.252CS..THydrogen-bonded Turntrans-81.6-28.9-175.300000116.1F339F339-G341 PolarHBondContact O-N 2.92Å
342F80.1Confident72.3Confident10 Ų1048 Ų484%0.04424%0.238CC..  trans-100.8116.2-172.5-66.5-84.1000112V296 L299 L300 L307 W312 F339 F345 F492V296-F342 HydrophobicContact CG1-CE2 3.88Å; V296-F342 HydrophobicContact CG1-CZ 4.39Å; L299-F342 HydrophobicContact CB-CE1 4.15Å; L299-F342 HydrophobicContact CB-CZ 3.57Å; L299-F342 HydrophobicContact CD1-CE1 4.05Å; L299-F342 HydrophobicContact CD1-CZ 3.87Å; L299-F342 HydrophobicContact CG-CZ 4.37Å; L300-F342 HydrophobicContact CD2-CD2 3.73Å; L300-F342 HydrophobicContact CD2-CE2 3.51Å; L300-F342 HydrophobicContact CG-CD2 4.49Å; L300-F342 HydrophobicContact CG-CE2 3.81Å; L307-F342 HydrophobicContact CD2-CD1 4.47Å; L307-F342 HydrophobicContact CD2-CE1 3.99Å; L307-F342 HydrophobicContact CD2-CZ 4.47Å; W312-F342 AromaticContact CD1-CD1 3.72Å; W312-F342 AromaticContact CD1-CE1 3.81Å; W312-F342 HydrophobicContact CG-CD1 4.43Å; W312-F342 HydrophobicContact CG-CE1 4.29Å; W312-F342 AromaticContact NE1-CD1 3.93Å; W312-F342 AromaticContact NE1-CE1 3.71Å; F339-F342 PolarHBondContact O-N 3.46Å; F342-F345 HydrophobicContact CB-CD2 4.34Å; F342-F345 AromaticContact CD1-CD2 3.94Å; F342-F345 HydrophobicContact CD1-CD2 3.94Å; F342-F345 HydrophobicContact CD1-CE2 4.35Å; F342-F345 HydrophobicContact CE1-CD2 4.42Å; F342-F345 HydrophobicContact CE1-CE2 4.37Å; F342-F345 HydrophobicContact CG-CD2 4.1Å; F342-F492 WeakPolarHBondContact O-CD1 3.42Å; F342-F492 WeakPolarHBondContact O-CE1 3.43Å
343K81.6Confident73.7Confident83 Ų8344.1 Ų44.136%0.36122%0.218SC..SBendtrans-89.7-21.3172.2-62.5-171.2-164160.80114.1D308D308-K343 WeakPolarHBondContact OD1-CD 3.2Å; D308-K343 VanDerWaalsContact OD1-CE 3.26Å; D308-K343 WeakPolarHBondContact OD1-CE 3.3Å; D308-K343 VanDerWaalsContact OD1-CG 3.28Å; D308-K343 WeakPolarHBondContact OD1-CG 3.16Å; D308-K343 IonicContact OD1-NZ 2.82Å; D308-K343 WeakPolarHBondContact OD2-CE 3.45Å; D308-K343 IonicContact OD2-NZ 2.85Å; D308-K343 PolarHBondContact OD2-NZ 3.3Å
344K86.8Confident74.7Confident35 Ų3541.3 Ų41.315%0.15221%0.206CC..  trans-136.591-168.1-63.4169.1-175.3178.50110.3D308 F310 L311 W312 T527 I528D308-K344 WeakPolarHBondContact O-CE 3.38Å; D308-K344 PolarHBondContact O-NZ 3.41Å; F310-K344 WeakPolarHBondContact O-CB 3.34Å; L311-K344 HydrophobicContact CD1-CB 4.17Å; W312-K344 PolarHBondContact N-O 2.86Å; W312-K344 VanDerWaalsContact N-O 3.13Å; K344-T527 WeakPolarHBondContact CE-O 3.36Å; K344-T527 PolarHBondContact NZ-O 3.45Å; K344-I528 HydrophobicContact CD-CG1 4.15Å
345F89.8Confident75.4Confident2 Ų242.7 Ų42.71%0.00921%0.207CC..EExtended strand (participates in β ladder)trans-136.2134.7179.4-145.7-69.6000109.7L285 W312 L318 F322 F342 L347 T491 F492 W499L285-F345 HydrophobicContact CD1-CE2 4.28Å; L285-F345 HydrophobicContact CD1-CZ 3.73Å; W312-F345 HydrophobicContact CB-CD1 4.42Å; W312-F345 HydrophobicContact CB-CD2 3.52Å; W312-F345 HydrophobicContact CB-CE1 4.34Å; W312-F345 HydrophobicContact CB-CE2 3.45Å; W312-F345 VanDerWaalsContact CB-CE2 3.45Å; W312-F345 HydrophobicContact CB-CG 4.02Å; W312-F345 HydrophobicContact CB-CZ 3.89Å; W312-F345 HydrophobicContact CG-CD2 4.18Å; W312-F345 HydrophobicContact CG-CE2 4.08Å; W312-F345 CarbonylContact O-C 3.57Å; W312-F345 WeakPolarHBondContact O-CA 3.22Å; L318-F345 HydrophobicContact CD1-CE1 4Å; L318-F345 HydrophobicContact CD1-CZ 3.8Å; L318-F345 HydrophobicContact CD2-CZ 4.29Å; F322-F345 HydrophobicContact CE2-CD1 4.22Å; F322-F345 AromaticContact CE2-CE1 3.72Å; F322-F345 HydrophobicContact CE2-CE1 3.72Å; F322-F345 HydrophobicContact CE2-CE2 4.11Å; F322-F345 AromaticContact CE2-CZ 3.64Å; F322-F345 HydrophobicContact CE2-CZ 3.64Å; F322-F345 HydrophobicContact CZ-CD1 4.4Å; F322-F345 HydrophobicContact CZ-CD2 4.05Å; F322-F345 HydrophobicContact CZ-CE1 4.13Å; F322-F345 AromaticContact CZ-CE2 3.73Å; F322-F345 HydrophobicContact CZ-CE2 3.73Å; F322-F345 HydrophobicContact CZ-CG 4.39Å; F322-F345 AromaticContact CZ-CZ 3.77Å; F322-F345 HydrophobicContact CZ-CZ 3.77Å; F342-F345 HydrophobicContact CB-CD2 4.34Å; F342-F345 AromaticContact CD1-CD2 3.94Å; F342-F345 HydrophobicContact CD1-CD2 3.94Å; F342-F345 HydrophobicContact CD1-CE2 4.35Å; F342-F345 HydrophobicContact CE1-CD2 4.42Å; F342-F345 HydrophobicContact CE1-CE2 4.37Å; F342-F345 HydrophobicContact CG-CD2 4.1Å; F345-L347 HydrophobicContact CD1-CD2 4.06Å; F345-L347 HydrophobicContact CD1-CG 4.05Å; F345-L347 HydrophobicContact CE1-CD2 3.56Å; F345-L347 HydrophobicContact CE1-CG 4.07Å; F345-T491 VanDerWaalsContact O-CA 3.25Å; F345-T491 WeakPolarHBondContact O-CA 3.36Å; F345-T491 WeakPolarHBondContact O-CB 3.37Å; F345-T491 PolarHBondContact O-OG1 3.44Å; F345-F492 HydrophobicContact CB-CB 4.42Å; F345-F492 PolarHBondContact O-N 3.33Å; F345-W499 HydrophobicContact CB-CH2 4.11Å; F345-W499 HydrophobicContact CB-CZ3 4.5Å; F345-W499 AromaticContact CD1-CH2 3.94Å; F345-W499 HydrophobicContact CD1-CH2 3.94Å; F345-W499 HydrophobicContact CD1-CZ3 4.49Å; F345-W499 HydrophobicContact CG-CH2 4.2Å
346I92.8Very high76.3Confident0 Ų047.6 Ų47.60%023%0.225CC..EExtended strand (participates in β ladder)trans-120.4132.5171.8-66.8173.4000108.1L213 W219 L311 W312 I313 G314 V348 I489 L490 L502 I524L213-I346 HydrophobicContact CD2-CD1 4.38Å; L213-I346 HydrophobicContact CD2-CG2 4Å; W219-I346 HydrophobicContact CH2-CD1 4.04Å; W219-I346 HydrophobicContact CZ3-CD1 4.25Å; L311-I346 HydrophobicContact CD1-CD1 3.99Å; L311-I346 HydrophobicContact CD1-CG1 4.01Å; L311-I346 HydrophobicContact CD2-CD1 4.1Å; W312-I346 PolarHBondContact O-N 3.08Å; I313-I346 CarbonylContact C-O 3.57Å; I313-I346 WeakPolarHBondContact CA-O 3.47Å; I313-I346 HydrophobicContact CG1-CB 4.36Å; G314-I346 PolarHBondContact N-O 3.3Å; I346-V348 HydrophobicContact CG2-CG2 4.48Å; I346-I489 HydrophobicContact CG2-CG2 3.54Å; I346-L490 CarbonylContact C-O 3.45Å; I346-L490 VanDerWaalsContact CA-O 3.27Å; I346-L490 WeakPolarHBondContact CA-O 3.48Å; I346-L502 HydrophobicContact CD1-CD2 4Å; I346-L502 HydrophobicContact CG1-CD2 4.32Å; I346-I524 HydrophobicContact CD1-CD1 4.35Å
347L93.1Very high77.5Confident0 Ų048.7 Ų48.70%023%0.228CC..EExtended strand (participates in β ladder)trans-113.6124.5172.1-70172.3000109.1G314 L318 F322 L325 F345 L349 I489 L490 W499G314-L347 WeakPolarHBondContact O-CA 3.23Å; L318-L347 HydrophobicContact CB-CD2 3.83Å; L318-L347 HydrophobicContact CD1-CD2 4.06Å; F322-L347 HydrophobicContact CD2-CD1 3.74Å; F322-L347 HydrophobicContact CD2-CD2 4.12Å; F322-L347 HydrophobicContact CD2-CG 4.45Å; F322-L347 HydrophobicContact CE2-CD1 4.3Å; F322-L347 HydrophobicContact CE2-CD2 4.1Å; F322-L347 HydrophobicContact CG-CD1 4.41Å; L325-L347 HydrophobicContact CD1-CD1 4.47Å; L325-L347 HydrophobicContact CD2-CD1 3.84Å; F345-L347 HydrophobicContact CD1-CD2 4.06Å; F345-L347 HydrophobicContact CD1-CG 4.05Å; F345-L347 HydrophobicContact CE1-CD2 3.56Å; F345-L347 HydrophobicContact CE1-CG 4.07Å; L347-L349 HydrophobicContact CB-CD1 4.5Å; L347-L349 HydrophobicContact CB-CD2 4.44Å; L347-L349 HydrophobicContact CB-CG 4.17Å; L347-I489 WeakPolarHBondContact O-CA 3.37Å; L347-L490 HydrophobicContact CB-CB 4.38Å; L347-L490 PolarHBondContact N-O 2.84Å; L347-L490 PolarHBondContact O-N 2.83Å; L347-W499 HydrophobicContact CB-CZ3 4.33Å; L347-W499 HydrophobicContact CD1-CD2 4.47Å; L347-W499 HydrophobicContact CD1-CE3 4.08Å; L347-W499 HydrophobicContact CD1-CH2 3.3Å; L347-W499 HydrophobicContact CD1-CZ2 3.74Å; L347-W499 HydrophobicContact CD1-CZ3 3.49Å; L347-W499 VanDerWaalsContact CD1-CZ3 3.49Å; L347-W499 HydrophobicContact CG-CH2 3.7Å; L347-W499 HydrophobicContact CG-CZ3 3.72Å
348V94.8Very high78.9Confident0 Ų043.8 Ų43.80%021%0.207CC..EExtended strand (participates in β ladder)trans-97.3103.1172.2-179.20000107.4T206 V209 I210 L213 I313 G314 I346 F487T206-V348 HydrophobicContact CG2-CG1 4.12Å; V209-V348 HydrophobicContact CB-CG1 3.92Å; V209-V348 HydrophobicContact CG1-CG1 3.65Å; I210-V348 HydrophobicContact CG1-CG2 4.25Å; L213-V348 HydrophobicContact CD2-CG2 4.46Å; I313-V348 HydrophobicContact CG2-CG2 4.22Å; G314-V348 PolarHBondContact O-N 3.39Å; I346-V348 HydrophobicContact CG2-CG2 4.48Å; V348-F487 HydrophobicContact CG1-CD1 4.12Å
349L92Very high79.9Confident2 Ų244.7 Ų44.71%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-116.1144.6-179.1-56.4-178.1000109.2I319 L325 L347 L352 Y418 F487 T488 L490I319-L349 HydrophobicContact CD1-CD2 3.93Å; I319-L349 HydrophobicContact CG1-CD1 4.39Å; I319-L349 HydrophobicContact CG1-CD2 3.75Å; L325-L349 HydrophobicContact CD1-CD1 4.19Å; L325-L349 HydrophobicContact CD2-CD1 4.03Å; L347-L349 HydrophobicContact CB-CD1 4.5Å; L347-L349 HydrophobicContact CB-CD2 4.44Å; L347-L349 HydrophobicContact CB-CG 4.17Å; L349-L352 HydrophobicContact CD1-CD1 4.34Å; L349-Y418 HydrophobicContact CB-CE2 4.23Å; L349-F487 CarbonylContact O-C 3.52Å; L349-F487 WeakPolarHBondContact O-CA 3.21Å; L349-F487 WeakPolarHBondContact O-CB 3.33Å; L349-F487 WeakPolarHBondContact O-CD1 3.31Å; L349-T488 PolarHBondContact N-O 3.21Å; L349-T488 VanDerWaalsContact N-O 3.14Å; L349-T488 PolarHBondContact O-N 3.3Å; L349-T488 VanDerWaalsContact O-O 3.07Å; L349-L490 HydrophobicContact CD1-CD1 4.01Å
350P91.4Very high80.8Confident5 Ų548.5 Ų48.53%0.03223%0.231CC..EExtended strand (participates in β ladder)trans-49.2155.5160-33.339.6000112P201 L352 Y418 F487P201-P350 HydrophobicContact CG-CB 3.82Å; P201-P350 HydrophobicContact CG-CG 3.41Å; P201-P350 VanDerWaalsContact CG-CG 3.41Å; P350-L352 PolarHBondContact O-N 3.13Å; P350-Y418 HydrophobicContact CB-CE2 3.85Å; P350-Y418 WeakPolarHBondContact CD-OH 3.3Å; P350-Y418 HydrophobicContact CG-CE2 4Å; P350-Y418 WeakPolarHBondContact CG-OH 3.13Å; P350-F487 HydrophobicContact CG-CD1 4.17Å; P350-F487 HydrophobicContact CG-CE1 3.91Å
351H90.3Very high82.2Confident61 Ų6144.1 Ų44.128%0.28221%0.21SC..PPolyproline II helixtrans-47.7125.6-172.7-17756.6000112.5E473 N486 E504H351-E473 IonicContact CD2-OE2 3.26Å; H351-E473 IonicContact NE2-OE2 3.65Å; H351-N486 HydrophobicContact CB-CB 3.86Å; H351-N486 PolarHBondContact N-O 2.8Å; H351-E504 IonicContact ND1-OE2 2.99Å
352L84.8Confident83Confident10 Ų1047 Ų475%0.05223%0.229CC..PPolyproline II helixtrans-91.9123.9175.5-66.3175.9000109.3L349 P350 I417 Y418 T488 L490L349-L352 HydrophobicContact CD1-CD1 4.34Å; P350-L352 PolarHBondContact O-N 3.13Å; L352-I417 HydrophobicContact CD2-CG2 4.35Å; L352-Y418 HydrophobicContact CD2-CD2 3.74Å; L352-T488 HydrophobicContact CD1-CG2 4.22Å; L352-T488 HydrophobicContact CG-CG2 4.49Å; L352-T488 PolarHBondContact N-OG1 3.48Å; L352-L490 HydrophobicContact CD1-CD1 3.83Å; L352-L490 HydrophobicContact CD1-CG 4.46Å
353P80.5Confident83.2Confident6 Ų647.1 Ų47.14%0.03923%0.231CC..PPolyproline II helixtrans-63.1146.7174.727.1-32.9000110N357 I417 P421 F470P353-N357 HydrophobicContact CB-CB 4.39Å; P353-I417 WeakPolarHBondContact CD-O 3.44Å; P353-P421 HydrophobicContact CG-CB 4.29Å; P353-P421 HydrophobicContact CG-CG 3.68Å; P353-F470 HydrophobicContact CG-CD1 4.44Å
354G73.3Confident83.4Confident37 Ų3746.3 Ų46.338%0.38123%0.23SC..PPolyproline II helixtrans-60.5148.6178.500000112.1R356 N357G354-R356 PolarHBondContact O-N 2.77Å; G354-R356 VanDerWaalsContact O-N 3.11Å; G354-N357 WeakPolarHBondContact O-CA 3.19Å; G354-N357 WeakPolarHBondContact O-CB 3.35Å; G354-N357 PolarHBondContact O-N 3.44Å
355E67.2Low83.1Confident113 Ų11344.8 Ų44.853%0.52822%0.223SC..Hα-helixtrans-54.4-36.9-178.3-172.7-170.8170.800113.6N357 M358E355-N357 PolarHBondContact O-N 3.39Å; E355-N357 VanDerWaalsContact O-N 3.14Å; E355-M358 WeakPolarHBondContact O-CB 3.46Å; E355-M358 PolarHBondContact O-N 3.41Å
356R69Low82.6Confident208 Ų20849 Ų4979%0.78525%0.246SC*.Hα-helixtrans-57.1-29.9175.9-74.5-174.2-79.4-170.1-4.8112.7G354 M358G354-R356 PolarHBondContact O-N 2.77Å; G354-R356 VanDerWaalsContact O-N 3.11Å; R356-M358 VanDerWaalsContact C-N 3.33Å
357N75.4Confident82Confident44 Ų4450.9 Ų50.924%0.23525%0.253CS..Hα-helixtrans-79.1-20.4-177.4-65.2-3.4000111.9P353 G354 E355 G471 E473P353-N357 HydrophobicContact CB-CB 4.39Å; G354-N357 WeakPolarHBondContact O-CA 3.19Å; G354-N357 WeakPolarHBondContact O-CB 3.35Å; G354-N357 PolarHBondContact O-N 3.44Å; E355-N357 PolarHBondContact O-N 3.39Å; E355-N357 VanDerWaalsContact O-N 3.14Å; N357-G471 VanDerWaalsContact CG-O 3.29Å; N357-G471 PolarHBondContact ND2-O 3.32Å; N357-G471 PolarHBondContact OD1-O 3.18Å; N357-E473 PolarHBondContact ND2-OE1 3.45Å
358M77.2Confident81Confident27 Ų2750.9 Ų50.913%0.13325%0.253CS..Hα-helixtrans-78.5-21.7174.6-88.6-67.1177.100113.8E355 R356 N360 Y361 S416 I417 P421 F470E355-M358 WeakPolarHBondContact O-CB 3.46Å; E355-M358 PolarHBondContact O-N 3.41Å; R356-M358 VanDerWaalsContact C-N 3.33Å; M358-N360 PolarHBondContact O-N 2.81Å; M358-N360 VanDerWaalsContact O-N 3.11Å; M358-Y361 PolarHBondContact O-N 2.8Å; M358-Y361 HydrophobicContact SD-CD1 4.46Å; M358-S416 WeakPolarHBondContact CE-O 3.08Å; M358-I417 VanDerWaalsContact CE-CA 3.41Å; M358-I417 HydrophobicContact CE-CB 4.44Å; M358-P421 HydrophobicContact CE-CG 3.56Å; M358-F470 HydrophobicContact CE-CE1 3.78Å; M358-F470 HydrophobicContact CE-CZ 3.76Å; M358-F470 HydrophobicContact CG-CE1 4.25Å; M358-F470 HydrophobicContact CG-CZ 4.47Å; M358-F470 HydrophobicContact SD-CE1 3.73Å; M358-F470 HydrophobicContact SD-CZ 3.45Å; M358-F470 WeakPolarHBondContact SD-CZ 3.49Å
359K72.7Confident79.9Confident162 Ų16251 Ų5170%0.70425%0.254SS*.THydrogen-bonded Turntrans-61.8-23.6-174.3-67.8-169.5176.6-170.70114.6
360N78Confident78.8Confident109 Ų10956.7 Ų56.758%0.58328%0.284SS*.THydrogen-bonded Turntrans-83.7-15.3179.7-67.6-10.3000112.9Y85 M358Y85-N360 PolarHBondContact OH-O 3.04Å; M358-N360 PolarHBondContact O-N 2.81Å; M358-N360 VanDerWaalsContact O-N 3.11Å
361Y85.8Confident77.9Confident7 Ų759.7 Ų59.73%0.02730%0.3CS..  trans-84.4117-178.1174.4-112000111.1Y85 M358 I363 Y413 V420 F470Y85-Y361 AromaticContact CD1-CD2 3.57Å; Y85-Y361 HydrophobicContact CD1-CD2 3.57Å; Y85-Y361 AromaticContact CD1-CE2 3.79Å; Y85-Y361 HydrophobicContact CD1-CE2 3.79Å; Y85-Y361 AromaticContact CD2-CD2 3.89Å; Y85-Y361 HydrophobicContact CD2-CD2 3.89Å; Y85-Y361 HydrophobicContact CD2-CE2 4.15Å; Y85-Y361 AromaticContact CE1-CD2 3.74Å; Y85-Y361 HydrophobicContact CE1-CD2 3.74Å; Y85-Y361 HydrophobicContact CE1-CE2 4.42Å; Y85-Y361 HydrophobicContact CE2-CD2 4.05Å; Y85-Y361 AromaticContact CG-CD2 3.66Å; Y85-Y361 HydrophobicContact CG-CD2 3.66Å; Y85-Y361 AromaticContact CG-CE2 3.64Å; Y85-Y361 HydrophobicContact CG-CE2 3.64Å; Y85-Y361 AromaticContact CZ-CD2 3.98Å; M358-Y361 PolarHBondContact O-N 2.8Å; M358-Y361 HydrophobicContact SD-CD1 4.46Å; Y361-I363 HydrophobicContact CE1-CD1 4.24Å; Y361-I363 HydrophobicContact CE1-CG1 3.86Å; Y361-I363 WeakPolarHBondContact OH-CG1 3.49Å; Y361-Y413 HydrophobicContact CD1-CD1 4.22Å; Y361-Y413 AromaticContact CD1-CE1 3.62Å; Y361-Y413 HydrophobicContact CD1-CE1 3.62Å; Y361-Y413 HydrophobicContact CE1-CD1 4.25Å; Y361-Y413 AromaticContact CE1-CE1 3.75Å; Y361-Y413 HydrophobicContact CE1-CE1 3.75Å; Y361-Y413 PolarHBondContact O-OH 3.44Å; Y361-Y413 VanDerWaalsContact O-OH 3.05Å; Y361-V420 HydrophobicContact CD1-CG1 3.97Å; Y361-V420 HydrophobicContact CD2-CG1 4.11Å; Y361-V420 HydrophobicContact CE1-CG1 3.64Å; Y361-V420 HydrophobicContact CE1-CG2 4.38Å; Y361-V420 HydrophobicContact CE2-CG1 3.77Å; Y361-V420 HydrophobicContact CG-CG1 4.22Å; Y361-F470 HydrophobicContact CD2-CE2 4.27Å; Y361-F470 HydrophobicContact CG-CE2 4.12Å; Y361-F470 HydrophobicContact CG-CZ 4.3Å
362S85.9Confident77.1Confident65 Ų6557.1 Ų57.146%0.45529%0.289SS..  trans-117.4126.2179.661.90000111.4Y413S362-Y413 VanDerWaalsContact CA-OH 3.26Å; S362-Y413 WeakPolarHBondContact CA-OH 3.4Å
363I84.9Confident76.7Confident14 Ų1460.8 Ų60.87%0.07231%0.308CS..  trans-80.9127.3168.1-71.3172.5000108.3E81 Y361 L365 L409 L412 Y413E81-I363 HydrophobicContact CG-CB 4.33Å; E81-I363 HydrophobicContact CG-CG1 4.14Å; E81-I363 HydrophobicContact CG-CG2 4.03Å; Y361-I363 HydrophobicContact CE1-CD1 4.24Å; Y361-I363 HydrophobicContact CE1-CG1 3.86Å; Y361-I363 WeakPolarHBondContact OH-CG1 3.49Å; I363-L365 HydrophobicContact CG2-CD2 3.71Å; I363-L365 HydrophobicContact CG2-CG 4.32Å; I363-L409 HydrophobicContact CB-CD2 3.96Å; I363-L409 HydrophobicContact CG2-CD2 3.95Å; I363-L412 HydrophobicContact CD1-CB 3.66Å; I363-L412 HydrophobicContact CD1-CD1 4.33Å; I363-L412 HydrophobicContact CG2-CD1 4.15Å; I363-Y413 HydrophobicContact CD1-CD1 4.26Å; I363-Y413 HydrophobicContact CD1-CE1 4.04Å; I363-Y413 HydrophobicContact CG1-CE1 4.12Å; I363-Y413 PolarHBondContact N-OH 2.98Å
364N85.6Confident76.6Confident65 Ų6560.9 Ų60.935%0.34831%0.308SS..  trans-105.395.5175.8-176.6-4.9000110.1E81 N366 R367E81-N364 PolarHBondContact OE1-N 3.49Å; N364-N366 VanDerWaalsContact C-N 3.27Å; N364-N366 PolarHBondContact O-N 3.41Å; N364-N366 PolarHBondContact OD1-N 3.35Å; N364-R367 HydrophobicContact CB-CB 4.14Å; N364-R367 WeakPolarHBondContact O-CB 3.18Å; N364-R367 PolarHBondContact O-N 3.47Å; N364-R367 VanDerWaalsContact O-N 3.14Å; N364-R367 PolarHBondContact OD1-N 3.25Å
365L80.1Confident77Confident3 Ų359.1 Ų59.12%0.01629%0.29CS..Hα-helixtrans-60.1-38.2-178.6-56.3175.5000111.7Y77 I363 R367 T368 V369 L379 P387 E405 L409 L412Y77-L365 HydrophobicContact CE1-CD2 4.34Å; I363-L365 HydrophobicContact CG2-CD2 3.71Å; I363-L365 HydrophobicContact CG2-CG 4.32Å; L365-R367 PolarHBondContact O-N 3.14Å; L365-T368 PolarHBondContact O-N 3.33Å; L365-V369 WeakPolarHBondContact O-CG2 3.47Å; L365-L379 HydrophobicContact CD2-CD2 3.9Å; L365-P387 HydrophobicContact CB-CB 4.14Å; L365-P387 HydrophobicContact CB-CG 3.43Å; L365-P387 VanDerWaalsContact CB-CG 3.43Å; L365-P387 HydrophobicContact CD1-CG 4.16Å; L365-P387 HydrophobicContact CG-CG 4.4Å; L365-E405 HydrophobicContact CD1-CG 4.04Å; L365-L409 HydrophobicContact CD1-CD2 4.24Å; L365-L409 HydrophobicContact CD1-CG 4.38Å; L365-L409 HydrophobicContact CD2-CD2 4.35Å; L365-L409 HydrophobicContact CG-CD2 4.18Å; L365-L412 HydrophobicContact CD2-CD1 3.66Å
366N79.6Confident77.6Confident90 Ų9057.1 Ų57.148%0.48128%0.279SS..Hα-helixtrans-64.1-23.7-179.9-66.6-28.6000113.6N364 T368 P387N364-N366 VanDerWaalsContact C-N 3.27Å; N364-N366 PolarHBondContact O-N 3.41Å; N364-N366 PolarHBondContact OD1-N 3.35Å; N366-T368 VanDerWaalsContact C-N 3.33Å; N366-T368 PolarHBondContact O-N 2.96Å; N366-P387 VanDerWaalsContact OD1-CB 3.3Å; N366-P387 WeakPolarHBondContact OD1-CB 3.42Å
367R80.4Confident78.1Confident40 Ų4050 Ų5015%0.15126%0.261CS..Hα-helixtrans-63.7-38.6-177.9-172.6-169.7-71130.95111.8Y44 E81 D88 N364 L365 L371Y44-R367 HydrophobicContact CE2-CG 4.13Å; Y44-R367 PolarHBondContact OH-NE 3.06Å; E81-R367 IonicContact OE1-CZ 2.65Å; E81-R367 IonicContact OE1-NH1 3.69Å; E81-R367 PolarHBondContact OE1-NH1 2.93Å; E81-R367 IonicContact OE2-NH1 3.71Å; E81-R367 PolarHBondContact OE2-NH1 3.4Å; D88-R367 IonicContact OD2-CZ 3.04Å; D88-R367 IonicContact OD2-NE 2.67Å; D88-R367 PolarHBondContact OD2-NE 3.4Å; D88-R367 IonicContact OD2-NH2 3.82Å; D88-R367 PolarHBondContact OD2-NH2 2.96Å; N364-R367 HydrophobicContact CB-CB 4.14Å; N364-R367 WeakPolarHBondContact O-CB 3.18Å; N364-R367 PolarHBondContact O-N 3.47Å; N364-R367 VanDerWaalsContact O-N 3.14Å; N364-R367 PolarHBondContact OD1-N 3.25Å; L365-R367 PolarHBondContact O-N 3.14Å; R367-L371 WeakPolarHBondContact O-CD1 3.05Å; R367-L371 WeakPolarHBondContact O-CG 3.38Å
368T72.3Confident78.6Confident0 Ų047.9 Ų47.90%025%0.25CC..Hα-helixtrans-108.1-13.8-164.947.40000114.5Y77 L80 L84 L365 N366 N370 L371 T375Y77-T368 HydrophobicContact CE2-CG2 4.44Å; Y77-T368 WeakPolarHBondContact CE2-OG1 3.38Å; Y77-T368 VanDerWaalsContact CZ-OG1 3.3Å; Y77-T368 PolarHBondContact OH-OG1 2.99Å; L80-T368 HydrophobicContact CD2-CG2 4.25Å; L84-T368 HydrophobicContact CD1-CG2 3.6Å; L365-T368 PolarHBondContact O-N 3.33Å; N366-T368 VanDerWaalsContact C-N 3.33Å; N366-T368 PolarHBondContact O-N 2.96Å; T368-N370 PolarHBondContact O-N 3.45Å; T368-N370 VanDerWaalsContact O-N 3.13Å; T368-L371 HydrophobicContact CG2-CD1 4.2Å; T368-L371 PolarHBondContact O-N 2.81Å; T368-L371 VanDerWaalsContact O-N 3.16Å; T368-T375 WeakPolarHBondContact O-CB 3.48Å; T368-T375 WeakPolarHBondContact O-CG2 3.48Å; T368-T375 PolarHBondContact O-OG1 2.97Å
369V71.1Confident78.9Confident3 Ų346.7 Ų46.72%0.01824%0.244CC..THydrogen-bonded Turntrans-55.6-33.8-175.1169.90000113.9L365 T375 K376 L379 P387 V389L365-V369 WeakPolarHBondContact O-CG2 3.47Å; V369-T375 PolarHBondContact O-OG1 3.22Å; V369-K376 WeakPolarHBondContact O-CE 3.09Å; V369-K376 WeakPolarHBondContact O-CG 3.42Å; V369-L379 HydrophobicContact CG2-CD1 3.39Å; V369-P387 HydrophobicContact CG2-CB 4.41Å; V369-P387 HydrophobicContact CG2-CG 3.66Å; V369-V389 HydrophobicContact CG1-CG2 3.29Å
370N70.3Confident79.4Confident121 Ų12141.9 Ų41.965%0.64723%0.225SC*.THydrogen-bonded Turntrans-111.313.3-176.8-69.9-28.5000113.7T368T368-N370 PolarHBondContact O-N 3.45Å; T368-N370 VanDerWaalsContact O-N 3.13Å
371L71Confident79.6Confident68 Ų6841.5 Ų41.536%0.35622%0.219SC..THydrogen-bonded Turntrans-86.8-33.5-176.8-66.1-177.2000113.5L42 Y44 R367 T368L42-L371 HydrophobicContact CD1-CB 3.84Å; L42-L371 HydrophobicContact CD1-CD1 3.79Å; L42-L371 HydrophobicContact CD1-CG 4.49Å; L42-L371 HydrophobicContact CD2-CD1 4.22Å; L42-L371 HydrophobicContact CG-CB 4.13Å; L42-L371 HydrophobicContact CG-CD1 4.11Å; Y44-L371 HydrophobicContact CD2-CD1 4.46Å; R367-L371 WeakPolarHBondContact O-CD1 3.05Å; R367-L371 WeakPolarHBondContact O-CG 3.38Å; T368-L371 HydrophobicContact CG2-CD1 4.2Å; T368-L371 PolarHBondContact O-N 2.81Å; T368-L371 VanDerWaalsContact O-N 3.16Å
372T74.9Confident79.4Confident8 Ų843.1 Ų43.15%0.04923%0.227CC..  trans-147168179.562.80000110.3E40 L42 W374 T375E40-T372 WeakPolarHBondContact OE1-CB 3.18Å; L42-T372 HydrophobicContact CB-CG2 3.85Å; L42-T372 HydrophobicContact CD1-CG2 4.23Å; L42-T372 HydrophobicContact CG-CG2 4.29Å; T372-W374 HydrophobicContact CG2-CZ2 4.45Å; T372-W374 PolarHBondContact OG1-NE1 3.05Å; T372-T375 PolarHBondContact O-OG1 2.87Å; T372-T375 WeakPolarHBondContact OG1-CG2 3.11Å
373N74.9Confident79.3Confident86 Ų8641 Ų4146%0.4621%0.212SC..Hα-helixtrans-72.6-42.2178.1-65.6-9.7000111.5E31 E40 T375 K376E31-N373 WeakPolarHBondContact OE1-CB 3.01Å; E31-N373 PolarHBondContact OE1-ND2 3.12Å; E40-N373 WeakPolarHBondContact OE1-CB 3.38Å; E40-N373 PolarHBondContact OE1-N 2.95Å; N373-T375 VanDerWaalsContact C-N 3.28Å; N373-T375 PolarHBondContact O-N 3.12Å; N373-K376 PolarHBondContact O-N 3.28Å
374W79.9Confident79.2Confident9 Ų942.1 Ų42.13%0.03423%0.227CC..Hα-helixtrans-67-22.5-179.166.2-101.8000113.8I56 L72 Y77 L80 T372 K376 S377 Y378I56-W374 HydrophobicContact CD1-CH2 3.92Å; I56-W374 HydrophobicContact CD1-CZ2 3.47Å; I56-W374 VanDerWaalsContact CD1-CZ2 3.47Å; I56-W374 HydrophobicContact CG2-CD2 3.54Å; I56-W374 HydrophobicContact CG2-CE3 3.32Å; I56-W374 HydrophobicContact CG2-CG 4.27Å; I56-W374 HydrophobicContact CG2-CH2 3.96Å; I56-W374 HydrophobicContact CG2-CZ2 4.14Å; I56-W374 HydrophobicContact CG2-CZ3 3.53Å; L72-W374 HydrophobicContact CD2-CB 4.38Å; L72-W374 HydrophobicContact CD2-CE3 4.28Å; Y77-W374 HydrophobicContact CD2-CH2 4.47Å; Y77-W374 HydrophobicContact CD2-CZ3 4.1Å; L80-W374 HydrophobicContact CD1-CH2 3.83Å; L80-W374 HydrophobicContact CD1-CZ2 3.92Å; T372-W374 HydrophobicContact CG2-CZ2 4.45Å; T372-W374 PolarHBondContact OG1-NE1 3.05Å; W374-K376 VanDerWaalsContact C-N 3.35Å; W374-K376 PolarHBondContact O-N 2.04Å; W374-S377 PolarHBondContact O-N 3Å; W374-Y378 WeakPolarHBondContact O-CB 3.29Å; W374-Y378 PolarHBondContact O-N 3.28Å
375T80.8Confident79.2Confident0 Ų039.1 Ų39.10%021%0.211CC..Hα-helixtrans-66.7-37.1179.151.30000111.9Y77 T368 V369 T372 N373 Y378 L379Y77-T375 HydrophobicContact CE2-CG2 4.48Å; T368-T375 WeakPolarHBondContact O-CB 3.48Å; T368-T375 WeakPolarHBondContact O-CG2 3.48Å; T368-T375 PolarHBondContact O-OG1 2.97Å; V369-T375 PolarHBondContact O-OG1 3.22Å; T372-T375 PolarHBondContact O-OG1 2.87Å; T372-T375 WeakPolarHBondContact OG1-CG2 3.11Å; N373-T375 VanDerWaalsContact C-N 3.28Å; N373-T375 PolarHBondContact O-N 3.12Å; T375-Y378 PolarHBondContact O-N 2.94Å; T375-L379 WeakPolarHBondContact O-CG 3.15Å; T375-L379 PolarHBondContact O-N 3.08Å
376K79Confident79.1Confident71 Ų7139.3 Ų39.331%0.30921%0.212SC..Hα-helixtrans-62.8-48.1173.3-64.7-177-179.1179.90110.5V369 N373 W374 Y378 L379 M380 L386V369-K376 WeakPolarHBondContact O-CE 3.09Å; V369-K376 WeakPolarHBondContact O-CG 3.42Å; N373-K376 PolarHBondContact O-N 3.28Å; W374-K376 VanDerWaalsContact C-N 3.35Å; W374-K376 PolarHBondContact O-N 2.04Å; K376-Y378 VanDerWaalsContact C-N 3.29Å; K376-Y378 PolarHBondContact O-N 3.31Å; K376-L379 PolarHBondContact O-N 3.07Å; K376-M380 WeakPolarHBondContact O-CB 3.37Å; K376-M380 PolarHBondContact O-N 2.85Å; K376-L386 HydrophobicContact CB-CD2 4.27Å
377S81.4Confident78.9Confident58 Ų5835.4 Ų35.441%0.40619%0.192SC..Hα-helixtrans-59.7-39.1176.3-59.20000112.1W374 Q381W374-S377 PolarHBondContact O-N 3Å; S377-Q381 WeakPolarHBondContact O-CB 3.47Å; S377-Q381 PolarHBondContact O-N 3.4Å
378Y84.3Confident78.2Confident0 Ų039.2 Ų39.20%022%0.215CC..Hα-helixtrans-64.1-52.5176.9-177.6-82.2000112.4L72 T73 A74 Y77 W374 T375 K376 M380 Q381 F382 L412L72-Y378 HydrophobicContact CB-CD2 4.24Å; L72-Y378 HydrophobicContact CD2-CD2 4.36Å; T73-Y378 VanDerWaalsContact O-CE2 3.25Å; T73-Y378 WeakPolarHBondContact O-CE2 3.31Å; A74-Y378 PolarHBondContact O-OH 3.05Å; Y77-Y378 VanDerWaalsContact CB-CE2 3.5Å; Y77-Y378 AromaticContact CD1-CD1 3.94Å; Y77-Y378 HydrophobicContact CD1-CD1 3.94Å; Y77-Y378 AromaticContact CD1-CE1 3.49Å; Y77-Y378 HydrophobicContact CD1-CE1 3.49Å; Y77-Y378 VanDerWaalsContact CD1-CE1 3.49Å; Y77-Y378 AromaticContact CD2-CD1 3.74Å; Y77-Y378 HydrophobicContact CD2-CD1 3.74Å; Y77-Y378 HydrophobicContact CD2-CE1 4.12Å; Y77-Y378 HydrophobicContact CD2-CG 4.23Å; Y77-Y378 HydrophobicContact CE1-CE1 4.36Å; Y77-Y378 HydrophobicContact CE2-CD1 4.43Å; Y77-Y378 AromaticContact CG-CD1 3.46Å; Y77-Y378 HydrophobicContact CG-CD1 3.46Å; Y77-Y378 VanDerWaalsContact CG-CD1 3.46Å; Y77-Y378 AromaticContact CG-CE1 3.35Å; Y77-Y378 HydrophobicContact CG-CE1 3.35Å; Y77-Y378 HydrophobicContact CG-CE2 4.48Å; Y77-Y378 HydrophobicContact CG-CG 4.12Å; Y77-Y378 AromaticContact CG-CZ 3.91Å; W374-Y378 WeakPolarHBondContact O-CB 3.29Å; W374-Y378 PolarHBondContact O-N 3.28Å; T375-Y378 PolarHBondContact O-N 2.94Å; K376-Y378 VanDerWaalsContact C-N 3.29Å; K376-Y378 PolarHBondContact O-N 3.31Å; Y378-M380 VanDerWaalsContact C-N 3.31Å; Y378-M380 PolarHBondContact O-N 3.16Å; Y378-Q381 PolarHBondContact O-N 3.14Å; Y378-F382 HydrophobicContact CD1-CD2 4.09Å; Y378-F382 AromaticContact CD2-CD2 3.5Å; Y378-F382 HydrophobicContact CD2-CD2 3.5Å; Y378-F382 VanDerWaalsContact CD2-CD2 3.5Å; Y378-F382 AromaticContact CD2-CE2 3.55Å; Y378-F382 HydrophobicContact CD2-CE2 3.55Å; Y378-F382 HydrophobicContact CE1-CB 4.29Å; Y378-F382 AromaticContact CE1-CD2 3.88Å; Y378-F382 HydrophobicContact CE1-CD2 3.88Å; Y378-F382 HydrophobicContact CE1-CG 4.39Å; Y378-F382 AromaticContact CE2-CD2 3.25Å; Y378-F382 HydrophobicContact CE2-CD2 3.25Å; Y378-F382 AromaticContact CE2-CE2 3.3Å; Y378-F382 HydrophobicContact CE2-CE2 3.3Å; Y378-F382 HydrophobicContact CE2-CG 4.25Å; Y378-F382 HydrophobicContact CE2-CZ 4.32Å; Y378-F382 AromaticContact CG-CD2 3.9Å; Y378-F382 HydrophobicContact CG-CD2 3.9Å; Y378-F382 HydrophobicContact CG-CE2 4.36Å; Y378-F382 AromaticContact CZ-CD2 3.46Å; Y378-F382 VanDerWaalsContact CZ-CD2 3.46Å; Y378-F382 AromaticContact CZ-CE2 3.95Å; Y378-F382 WeakPolarHBondContact O-CD2 3.38Å; Y378-F382 PolarHBondContact O-N 3.16Å; Y378-L412 HydrophobicContact CE1-CD2 3.98Å
379L83.4Confident77.5Confident1 Ų140.9 Ų40.91%0.00523%0.225CC..Hα-helixtrans-63.6-40.4179.7-68.9174000110.6Y77 L365 V369 T375 K376 Q381 C383 G384 L386 P387Y77-L379 HydrophobicContact CE1-CD2 4.19Å; Y77-L379 HydrophobicContact CE2-CD2 4.31Å; Y77-L379 HydrophobicContact CE2-CG 4.46Å; L365-L379 HydrophobicContact CD2-CD2 3.9Å; V369-L379 HydrophobicContact CG2-CD1 3.39Å; T375-L379 WeakPolarHBondContact O-CG 3.15Å; T375-L379 PolarHBondContact O-N 3.08Å; K376-L379 PolarHBondContact O-N 3.07Å; L379-Q381 PolarHBondContact O-N 3.35Å; L379-C383 CarbonylContact O-C 3.59Å; L379-C383 VanDerWaalsContact O-CA 3.27Å; L379-C383 WeakPolarHBondContact O-CA 3.2Å; L379-C383 WeakPolarHBondContact O-CB 3.46Å; L379-C383 PolarHBondContact O-N 3.08Å; L379-G384 PolarHBondContact O-N 2.68Å; L379-L386 HydrophobicContact CB-CD2 3.88Å; L379-P387 HydrophobicContact CD1-CG 4.22Å
380M83.4Confident76.4Confident62 Ų6247.1 Ų47.131%0.30526%0.263SS..Hα-helixtrans-62.2-43.7173.9-167.761.673.700112.4K376 Y378 G384 L386 D397K376-M380 WeakPolarHBondContact O-CB 3.37Å; K376-M380 PolarHBondContact O-N 2.85Å; Y378-M380 VanDerWaalsContact C-N 3.31Å; Y378-M380 PolarHBondContact O-N 3.16Å; M380-G384 WeakPolarHBondContact O-CA 3.26Å; M380-G384 PolarHBondContact O-N 3.14Å; M380-L386 HydrophobicContact CE-CD1 4.07Å; M380-L386 HydrophobicContact CE-CG 3.86Å; M380-D397 HydrophobicContact CE-CB 3.84Å
381Q83.2Confident75.7Confident100 Ų10045.4 Ų45.447%0.46725%0.254SS..Hα-helixtrans-69.4-41.1-178.1179.8174.70.600113.3S377 Y378 L379S377-Q381 WeakPolarHBondContact O-CB 3.47Å; S377-Q381 PolarHBondContact O-N 3.4Å; Y378-Q381 PolarHBondContact O-N 3.14Å; L379-Q381 PolarHBondContact O-N 3.35Å
382F81.7Confident74.6Confident41 Ų4146.4 Ų46.418%0.1826%0.264CS..Hα-helixtrans-100.8-24.7-172-69.7-70.9000114.2L72 A74 Y378 Y411L72-F382 HydrophobicContact CB-CE2 3.96Å; A74-F382 HydrophobicContact CB-CE1 3.91Å; A74-F382 HydrophobicContact CB-CZ 4.17Å; Y378-F382 HydrophobicContact CD1-CD2 4.09Å; Y378-F382 AromaticContact CD2-CD2 3.5Å; Y378-F382 HydrophobicContact CD2-CD2 3.5Å; Y378-F382 VanDerWaalsContact CD2-CD2 3.5Å; Y378-F382 AromaticContact CD2-CE2 3.55Å; Y378-F382 HydrophobicContact CD2-CE2 3.55Å; Y378-F382 HydrophobicContact CE1-CB 4.29Å; Y378-F382 AromaticContact CE1-CD2 3.88Å; Y378-F382 HydrophobicContact CE1-CD2 3.88Å; Y378-F382 HydrophobicContact CE1-CG 4.39Å; Y378-F382 AromaticContact CE2-CD2 3.25Å; Y378-F382 HydrophobicContact CE2-CD2 3.25Å; Y378-F382 AromaticContact CE2-CE2 3.3Å; Y378-F382 HydrophobicContact CE2-CE2 3.3Å; Y378-F382 HydrophobicContact CE2-CG 4.25Å; Y378-F382 HydrophobicContact CE2-CZ 4.32Å; Y378-F382 AromaticContact CG-CD2 3.9Å; Y378-F382 HydrophobicContact CG-CD2 3.9Å; Y378-F382 HydrophobicContact CG-CE2 4.36Å; Y378-F382 AromaticContact CZ-CD2 3.46Å; Y378-F382 VanDerWaalsContact CZ-CD2 3.46Å; Y378-F382 AromaticContact CZ-CE2 3.95Å; Y378-F382 WeakPolarHBondContact O-CD2 3.38Å; Y378-F382 PolarHBondContact O-N 3.16Å; F382-Y411 HydrophobicContact CB-CD1 4.28Å; F382-Y411 HydrophobicContact CB-CE1 3.85Å; F382-Y411 AromaticContact CD1-CE1 3.61Å; F382-Y411 HydrophobicContact CD1-CE1 3.61Å; F382-Y411 AromaticContact CD1-CZ 3.74Å; F382-Y411 VanDerWaalsContact CD1-OH 3.27Å; F382-Y411 WeakPolarHBondContact CD1-OH 3.27Å; F382-Y411 HydrophobicContact CG-CE1 4.03Å
383C84.3Confident73.5Confident21 Ų2152.8 Ų52.814%0.14230%0.298CS..Hα-helixtrans-109.7-15.7177.7-61.70000113.1L379 C385 C408L379-C383 CarbonylContact O-C 3.59Å; L379-C383 VanDerWaalsContact O-CA 3.27Å; L379-C383 WeakPolarHBondContact O-CA 3.2Å; L379-C383 WeakPolarHBondContact O-CB 3.46Å; L379-C383 PolarHBondContact O-N 3.08Å; C383-C385 PolarHBondContact O-N 3.31Å; C383-C408 HydrophobicContact CB-CB 3.41Å; C383-C408 VanDerWaalsContact CB-CB 3.41Å; C383-C408 WeakPolarHBondContact CB-SG 3.39Å; C383-C408 WeakPolarHBondContact SG-CB 3.33Å; C383-C408 CovalentContact SG-SG 2.02Å; C383-C408 PolarHBondContact SG-SG 3.2Å
384G82.6Confident72.5Confident38 Ų3853.9 Ų53.939%0.39230%0.304SS..SBendtrans73.63.4-179.900000114.5L379 M380L379-G384 PolarHBondContact O-N 2.68Å; M380-G384 WeakPolarHBondContact O-CA 3.26Å; M380-G384 PolarHBondContact O-N 3.14Å
385C83.9Confident71Confident2 Ų262.9 Ų62.91%0.01434%0.344CS..SBendtrans-158.3162.2-174.263.80000111.7C383 Q398 C400C383-C385 PolarHBondContact O-N 3.31Å; C385-Q398 CarbonylContact C-O 3.59Å; C385-Q398 VanDerWaalsContact CA-O 3.26Å; C385-Q398 WeakPolarHBondContact CA-O 3.38Å; C385-C400 HydrophobicContact CB-CB 3.84Å; C385-C400 WeakPolarHBondContact CB-SG 3.04Å; C385-C400 PolarHBondContact O-SG 3.45Å; C385-C400 WeakPolarHBondContact SG-CA 3.02Å; C385-C400 WeakPolarHBondContact SG-CB 3.27Å; C385-C400 CovalentContact SG-SG 2.03Å; C385-C400 PolarHBondContact SG-SG 3.4Å
386L79.6Confident69.9Low6 Ų668.5 Ų68.53%0.03138%0.378CS..BIsolated β-bridgetrans-109.6135.8175-65.9176.1000111.7K376 L379 M380 N388 V389 D397 Q398 V399 C400K376-L386 HydrophobicContact CB-CD2 4.27Å; L379-L386 HydrophobicContact CB-CD2 3.88Å; M380-L386 HydrophobicContact CE-CD1 4.07Å; M380-L386 HydrophobicContact CE-CG 3.86Å; L386-N388 PolarHBondContact O-N 3.16Å; L386-V389 HydrophobicContact CB-CG2 4.12Å; L386-V389 HydrophobicContact CD1-CG2 4.41Å; L386-D397 HydrophobicContact CD1-CB 3.92Å; L386-Q398 PolarHBondContact N-O 3.19Å; L386-V399 CarbonylContact O-C 3.52Å; L386-V399 VanDerWaalsContact O-CA 3.31Å; L386-V399 WeakPolarHBondContact O-CA 3.48Å; L386-C400 PolarHBondContact O-N 3Å
387P73.7Confident69.2Low9 Ų969.1 Ų69.16%0.05839%0.385CS..SBendtrans-71.4121.9174-4.117.3000111.1L365 N366 V369 L379 V389L365-P387 HydrophobicContact CB-CB 4.14Å; L365-P387 HydrophobicContact CB-CG 3.43Å; L365-P387 VanDerWaalsContact CB-CG 3.43Å; L365-P387 HydrophobicContact CD1-CG 4.16Å; L365-P387 HydrophobicContact CG-CG 4.4Å; N366-P387 VanDerWaalsContact OD1-CB 3.3Å; N366-P387 WeakPolarHBondContact OD1-CB 3.42Å; V369-P387 HydrophobicContact CG2-CB 4.41Å; V369-P387 HydrophobicContact CG2-CG 3.66Å; L379-P387 HydrophobicContact CD1-CG 4.22Å; P387-V389 PolarHBondContact O-N 3.33Å
388N65.7Low68.8Low119 Ų11972.2 Ų72.264%0.63639%0.393SS*.SBendtrans36.143165.9-73.6-21.3000116.9L386 V390L386-N388 PolarHBondContact O-N 3.16Å; N388-V390 PolarHBondContact O-N 2.96Å; N388-V390 VanDerWaalsContact O-N 3.07Å
389V58.6Low68.5Low36 Ų3675.8 Ų75.822%0.21841%0.414CS..  trans-77.697.8170.8-178.10000108.4V369 L386 P387 D391V369-V389 HydrophobicContact CG1-CG2 3.29Å; L386-V389 HydrophobicContact CB-CG2 4.12Å; L386-V389 HydrophobicContact CD1-CG2 4.41Å; P387-V389 PolarHBondContact O-N 3.33Å; V389-D391 HydrophobicContact CG1-CB 3.91Å; V389-D391 PolarHBondContact O-N 3.43Å; V389-D391 VanDerWaalsContact O-N 3.1Å
390V49Very low68.3Low133 Ų13376.4 Ų76.481%0.80642%0.419SS*.  trans-79.470.3167.1-171.20000107.8N388 P392N388-V390 PolarHBondContact O-N 2.96Å; N388-V390 VanDerWaalsContact O-N 3.07Å; V390-P392 WeakPolarHBondContact O-CD 3.03Å
391D54.1Low68.2Low86 Ų8677.1 Ų77.146%0.4642%0.424SS..  trans-105.4100.3165.4-148.7-16.2000108V389 N393V389-D391 HydrophobicContact CG1-CB 3.91Å; V389-D391 PolarHBondContact O-N 3.43Å; V389-D391 VanDerWaalsContact O-N 3.1Å; D391-N393 PolarHBondContact O-N 2.83Å
392P48.4Very low68.1Low88 Ų8876.2 Ų76.257%0.57143%0.434SS*.THydrogen-bonded Turntrans-61.1-14.2-171.7-21.931.6000114.8V390 F395V390-P392 WeakPolarHBondContact O-CD 3.03Å; P392-F395 WeakPolarHBondContact O-CE2 2.96Å
393N52.5Low68.2Low142 Ų14281.7 Ų81.776%0.75946%0.46SS*.THydrogen-bonded Turntrans-100.2-12.8-168.4-69.9-22.1000114.9D391D391-N393 PolarHBondContact O-N 2.83Å
394N52.1Low68.1Low109 Ų10982.4 Ų82.458%0.58346%0.462SS*.  trans-123.987.4178.2-91.4-4000111.2T396N394-T396 PolarHBondContact O-N 3.36Å; N394-T396 VanDerWaalsContact O-N 3.12Å
395F49.2Very low68.1Low199 Ų19984.3 Ų84.387%0.87346%0.461SS*.THydrogen-bonded Turntrans-73.312.5178.6-87.8-85.9000115.2P392P392-F395 WeakPolarHBondContact O-CE2 2.96Å
396T58.8Low68Low118 Ų11890.8 Ų90.872%0.72449%0.491SS*.THydrogen-bonded Turntrans-90.3-20.2-173.549.70000114.8N394N394-T396 PolarHBondContact O-N 3.36Å; N394-T396 VanDerWaalsContact O-N 3.12Å
397D63.4Low68.1Low83 Ų8396.5 Ų96.544%0.44452%0.517SS..SBendtrans-99.9126-169.2-58.3-18.5000111.3M380 L386 V399M380-D397 HydrophobicContact CE-CB 3.84Å; L386-D397 HydrophobicContact CD1-CB 3.92Å; D397-V399 PolarHBondContact O-N 3.27Å
398Q73.1Confident68.6Low124 Ų12496.3 Ų96.358%0.57952%0.516SS*.PPolyproline II helixtrans-68.7124.5-176.3-174.4170.9-19.500111.3C385 L386C385-Q398 CarbonylContact C-O 3.59Å; C385-Q398 VanDerWaalsContact CA-O 3.26Å; C385-Q398 WeakPolarHBondContact CA-O 3.38Å; L386-Q398 PolarHBondContact N-O 3.19Å
399V77.6Confident69.5Low74 Ų7492.2 Ų92.245%0.44849%0.494SS..BIsolated β-bridgetrans-82.7135.1176.4-177.60000109.9L386 D397 N401L386-V399 CarbonylContact O-C 3.52Å; L386-V399 VanDerWaalsContact O-CA 3.31Å; L386-V399 WeakPolarHBondContact O-CA 3.48Å; D397-V399 PolarHBondContact O-N 3.27Å; V399-N401 PolarHBondContact O-N 3.43Å
400C79.6Confident70.5Confident15 Ų1592.5 Ų92.510%0.10150%0.497CS..PPolyproline II helixtrans-63.8127.6177.9-59.90000110.9C385 L386 D404 E405C385-C400 HydrophobicContact CB-CB 3.84Å; C385-C400 WeakPolarHBondContact CB-SG 3.04Å; C385-C400 PolarHBondContact O-SG 3.45Å; C385-C400 WeakPolarHBondContact SG-CA 3.02Å; C385-C400 WeakPolarHBondContact SG-CB 3.27Å; C385-C400 CovalentContact SG-SG 2.03Å; C385-C400 PolarHBondContact SG-SG 3.4Å; L386-C400 PolarHBondContact O-N 3Å; C400-D404 HydrophobicContact CB-CB 4.19Å; C400-E405 HydrophobicContact CB-CB 4.42Å
401N81.6Confident71.8Confident76 Ų7688.6 Ų88.641%0.40647%0.468SS..  trans-79.2174.616273.846.2000110.2V399 E403 D404 E405V399-N401 PolarHBondContact O-N 3.43Å; N401-E403 VanDerWaalsContact C-N 3.27Å; N401-E403 PolarHBondContact O-N 3.43Å; N401-E403 VanDerWaalsContact OD1-CA 3.3Å; N401-E403 WeakPolarHBondContact OD1-CA 2.97Å; N401-E403 VanDerWaalsContact OD1-CB 3.3Å; N401-E403 WeakPolarHBondContact OD1-CB 3.11Å; N401-E403 PolarHBondContact OD1-N 3.39Å; N401-D404 PolarHBondContact N-OD2 3.31Å; N401-D404 PolarHBondContact ND2-OD1 2.68Å; N401-D404 PolarHBondContact ND2-OD2 3.14Å; N401-D404 PolarHBondContact O-N 3.19Å; N401-D404 VanDerWaalsContact OD1-CG 3.3Å; N401-D404 PolarHBondContact OD1-N 2.83Å; N401-D404 PolarHBondContact OD1-OD1 3.06Å; N401-D404 PolarHBondContact OD1-OD2 3.01Å; N401-E405 WeakPolarHBondContact O-CB 3.47Å; N401-E405 PolarHBondContact O-N 3.28Å
402A80.9Confident73.1Confident82 Ų8284.5 Ų84.568%0.67845%0.446SS*.Hα-helixtrans-63.8-28.6-178.500000113.9H406A402-H406 WeakPolarHBondContact O-CB 3.44Å; A402-H406 PolarHBondContact O-N 3.18Å; A402-H406 VanDerWaalsContact O-N 3.16Å
403E82.5Confident74.5Confident156 Ų15683 Ų8373%0.72943%0.43SS*.Hα-helixtrans-75.8-44.7174.9-60.9179.5174.800110.9N401 E405 H406 E407N401-E403 VanDerWaalsContact C-N 3.27Å; N401-E403 PolarHBondContact O-N 3.43Å; N401-E403 VanDerWaalsContact OD1-CA 3.3Å; N401-E403 WeakPolarHBondContact OD1-CA 2.97Å; N401-E403 VanDerWaalsContact OD1-CB 3.3Å; N401-E403 WeakPolarHBondContact OD1-CB 3.11Å; N401-E403 PolarHBondContact OD1-N 3.39Å; E403-E405 VanDerWaalsContact C-N 3.31Å; E403-E405 PolarHBondContact O-N 2.88Å; E403-H406 WeakPolarHBondContact O-CB 3.26Å; E403-H406 PolarHBondContact O-N 3.4Å; E403-H406 VanDerWaalsContact O-N 3.14Å; E403-E407 PolarHBondContact O-N 3.07Å
404D83.5Confident75.5Confident36 Ų3679 Ų7919%0.19340%0.404CS..Hα-helixtrans-60.6-41.7175.6-52.9-26.7000110.6C400 N401 E407 C408C400-D404 HydrophobicContact CB-CB 4.19Å; N401-D404 PolarHBondContact N-OD2 3.31Å; N401-D404 PolarHBondContact ND2-OD1 2.68Å; N401-D404 PolarHBondContact ND2-OD2 3.14Å; N401-D404 PolarHBondContact O-N 3.19Å; N401-D404 VanDerWaalsContact OD1-CG 3.3Å; N401-D404 PolarHBondContact OD1-N 2.83Å; N401-D404 PolarHBondContact OD1-OD1 3.06Å; N401-D404 PolarHBondContact OD1-OD2 3.01Å; D404-E407 PolarHBondContact O-N 2.71Å; D404-C408 WeakPolarHBondContact O-CB 3.06Å; D404-C408 PolarHBondContact O-N 3.25Å
405E81.8Confident76.2Confident77 Ų7774.5 Ų74.536%0.3638%0.38SS..Hα-helixtrans-63.4-42.2175.3-176.1175.2-173.800111.1L365 C400 N401 E403 C408 L409L365-E405 HydrophobicContact CD1-CG 4.04Å; C400-E405 HydrophobicContact CB-CB 4.42Å; N401-E405 WeakPolarHBondContact O-CB 3.47Å; N401-E405 PolarHBondContact O-N 3.28Å; E403-E405 VanDerWaalsContact C-N 3.31Å; E403-E405 PolarHBondContact O-N 2.88Å; E405-C408 PolarHBondContact O-N 2.69Å; E405-L409 HydrophobicContact CG-CD1 4.1Å; E405-L409 HydrophobicContact CG-CG 4.46Å; E405-L409 WeakPolarHBondContact O-CB 3.43Å; E405-L409 VanDerWaalsContact O-CG 3.26Å; E405-L409 WeakPolarHBondContact O-CG 3.49Å; E405-L409 PolarHBondContact O-N 2.94Å
406H82.2Confident77.5Confident139 Ų13965.5 Ų65.564%0.64434%0.342SS*.Hα-helixtrans-63.6-43175.6-173.670.7000112A402 E403 S410A402-H406 WeakPolarHBondContact O-CB 3.44Å; A402-H406 PolarHBondContact O-N 3.18Å; A402-H406 VanDerWaalsContact O-N 3.16Å; E403-H406 WeakPolarHBondContact O-CB 3.26Å; E403-H406 PolarHBondContact O-N 3.4Å; E403-H406 VanDerWaalsContact O-N 3.14Å; H406-S410 WeakPolarHBondContact O-CB 3.44Å; H406-S410 PolarHBondContact O-N 2.77Å
407E82.2Confident78.4Confident126 Ų12660.6 Ų60.659%0.58931%0.311SS*.Hα-helixtrans-63.9-46.8176.5-173.8174.4179.300111.4E403 D404 S410 Y411E403-E407 PolarHBondContact O-N 3.07Å; D404-E407 PolarHBondContact O-N 2.71Å; E407-S410 WeakPolarHBondContact O-CB 3.27Å; E407-S410 PolarHBondContact O-N 2.87Å; E407-S410 PolarHBondContact O-OG 3.42Å; E407-Y411 PolarHBondContact O-N 2.88Å
408C84.3Confident79.2Confident4 Ų456.9 Ų56.93%0.02729%0.291CS..Hα-helixtrans-54.9-53.6174.1171.40000111.5C383 D404 E405 S410 Y411 L412C383-C408 HydrophobicContact CB-CB 3.41Å; C383-C408 VanDerWaalsContact CB-CB 3.41Å; C383-C408 WeakPolarHBondContact CB-SG 3.39Å; C383-C408 WeakPolarHBondContact SG-CB 3.33Å; C383-C408 CovalentContact SG-SG 2.02Å; C383-C408 PolarHBondContact SG-SG 3.2Å; D404-C408 WeakPolarHBondContact O-CB 3.06Å; D404-C408 PolarHBondContact O-N 3.25Å; E405-C408 PolarHBondContact O-N 2.69Å; C408-S410 VanDerWaalsContact C-N 3.3Å; C408-S410 PolarHBondContact O-N 3.01Å; C408-Y411 WeakPolarHBondContact O-CB 3.3Å; C408-Y411 PolarHBondContact O-N 3.01Å; C408-Y411 VanDerWaalsContact O-N 3.13Å; C408-L412 WeakPolarHBondContact O-CG 3.46Å; C408-L412 PolarHBondContact O-N 2.78Å
409L83.1Confident79.9Confident33 Ų3351.6 Ų51.617%0.17327%0.265CS..Hα-helixtrans-59.5-43.3177.5-73.7174.1000110.8I363 L365 E405 Y411 L412 Y413I363-L409 HydrophobicContact CB-CD2 3.96Å; I363-L409 HydrophobicContact CG2-CD2 3.95Å; L365-L409 HydrophobicContact CD1-CD2 4.24Å; L365-L409 HydrophobicContact CD1-CG 4.38Å; L365-L409 HydrophobicContact CD2-CD2 4.35Å; L365-L409 HydrophobicContact CG-CD2 4.18Å; E405-L409 HydrophobicContact CG-CD1 4.1Å; E405-L409 HydrophobicContact CG-CG 4.46Å; E405-L409 WeakPolarHBondContact O-CB 3.43Å; E405-L409 VanDerWaalsContact O-CG 3.26Å; E405-L409 WeakPolarHBondContact O-CG 3.49Å; E405-L409 PolarHBondContact O-N 2.94Å; L409-Y411 VanDerWaalsContact C-N 3.29Å; L409-Y411 PolarHBondContact O-N 3.18Å; L409-L412 PolarHBondContact O-N 2.78Å; L409-L412 VanDerWaalsContact O-N 3.09Å; L409-Y413 HydrophobicContact CB-CD2 4.14Å; L409-Y413 HydrophobicContact CB-CE2 3.99Å; L409-Y413 HydrophobicContact CD2-CE2 4.14Å; L409-Y413 WeakPolarHBondContact O-CB 3.34Å; L409-Y413 WeakPolarHBondContact O-CD2 3.34Å; L409-Y413 PolarHBondContact O-N 3.42Å
410S79.5Confident80.6Confident42 Ų4248.1 Ų48.129%0.29425%0.245SC..Hα-helixtrans-57.8-41.7176.485.70000111.9H406 E407 C408 Y413 R414H406-S410 WeakPolarHBondContact O-CB 3.44Å; H406-S410 PolarHBondContact O-N 2.77Å; E407-S410 WeakPolarHBondContact O-CB 3.27Å; E407-S410 PolarHBondContact O-N 2.87Å; E407-S410 PolarHBondContact O-OG 3.42Å; C408-S410 VanDerWaalsContact C-N 3.3Å; C408-S410 PolarHBondContact O-N 3.01Å; S410-Y413 PolarHBondContact O-N 2.96Å; S410-R414 WeakPolarHBondContact O-CG 3.33Å; S410-R414 PolarHBondContact O-N 3.24Å
411Y77.7Confident81.2Confident51 Ų5147.6 Ų47.620%0.224%0.241CC..Hα-helixtrans-65.2-42.3175.1176.7-95.4000111.6K78 R323 F382 E407 C408 L409 Y413 R414K78-Y411 PolarHBondContact NZ-O 2.88Å; R323-Y411 PolarHBondContact NH1-OH 2.76Å; R323-Y411 VanDerWaalsContact NH1-OH 3.16Å; F382-Y411 HydrophobicContact CB-CD1 4.28Å; F382-Y411 HydrophobicContact CB-CE1 3.85Å; F382-Y411 AromaticContact CD1-CE1 3.61Å; F382-Y411 HydrophobicContact CD1-CE1 3.61Å; F382-Y411 AromaticContact CD1-CZ 3.74Å; F382-Y411 VanDerWaalsContact CD1-OH 3.27Å; F382-Y411 WeakPolarHBondContact CD1-OH 3.27Å; F382-Y411 HydrophobicContact CG-CE1 4.03Å; E407-Y411 PolarHBondContact O-N 2.88Å; C408-Y411 WeakPolarHBondContact O-CB 3.3Å; C408-Y411 PolarHBondContact O-N 3.01Å; C408-Y411 VanDerWaalsContact O-N 3.13Å; L409-Y411 VanDerWaalsContact C-N 3.29Å; L409-Y411 PolarHBondContact O-N 3.18Å; Y411-Y413 VanDerWaalsContact C-N 3.35Å; Y411-R414 PolarHBondContact O-N 3.34Å
412L80.2Confident81.8Confident0 Ų044.8 Ų44.80%023%0.226CC..Hα-helixtrans-66.5-37.9179.4-65.3178.4000111.8Y77 K78 I363 L365 Y378 C408 L409 R414Y77-L412 HydrophobicContact CD1-CD1 4.42Å; Y77-L412 HydrophobicContact CD1-CD2 4.33Å; Y77-L412 HydrophobicContact CE1-CD1 4.02Å; K78-L412 HydrophobicContact CD-CD2 4.42Å; K78-L412 VanDerWaalsContact CD-O 3.3Å; K78-L412 WeakPolarHBondContact CD-O 3.37Å; K78-L412 WeakPolarHBondContact CE-O 3.4Å; K78-L412 HydrophobicContact CG-CD2 3.94Å; K78-L412 PolarHBondContact NZ-O 2.9Å; I363-L412 HydrophobicContact CD1-CB 3.66Å; I363-L412 HydrophobicContact CD1-CD1 4.33Å; I363-L412 HydrophobicContact CG2-CD1 4.15Å; L365-L412 HydrophobicContact CD2-CD1 3.66Å; Y378-L412 HydrophobicContact CE1-CD2 3.98Å; C408-L412 WeakPolarHBondContact O-CG 3.46Å; C408-L412 PolarHBondContact O-N 2.78Å; L409-L412 PolarHBondContact O-N 2.78Å; L409-L412 VanDerWaalsContact O-N 3.09Å; L412-R414 PolarHBondContact O-N 3.09Å
413Y79.7Confident82.6Confident58 Ų5840.9 Ų40.923%0.22719%0.193CC..Hα-helixtrans-73.9-18.7179-74.2-61.1000114.9Y326 Y361 S362 I363 L409 S410 Y411 D415 S416Y326-Y413 PolarHBondContact OH-O 3.49Å; Y361-Y413 HydrophobicContact CD1-CD1 4.22Å; Y361-Y413 AromaticContact CD1-CE1 3.62Å; Y361-Y413 HydrophobicContact CD1-CE1 3.62Å; Y361-Y413 HydrophobicContact CE1-CD1 4.25Å; Y361-Y413 AromaticContact CE1-CE1 3.75Å; Y361-Y413 HydrophobicContact CE1-CE1 3.75Å; Y361-Y413 PolarHBondContact O-OH 3.44Å; Y361-Y413 VanDerWaalsContact O-OH 3.05Å; S362-Y413 VanDerWaalsContact CA-OH 3.26Å; S362-Y413 WeakPolarHBondContact CA-OH 3.4Å; I363-Y413 HydrophobicContact CD1-CD1 4.26Å; I363-Y413 HydrophobicContact CD1-CE1 4.04Å; I363-Y413 HydrophobicContact CG1-CE1 4.12Å; I363-Y413 PolarHBondContact N-OH 2.98Å; L409-Y413 HydrophobicContact CB-CD2 4.14Å; L409-Y413 HydrophobicContact CB-CE2 3.99Å; L409-Y413 HydrophobicContact CD2-CE2 4.14Å; L409-Y413 WeakPolarHBondContact O-CB 3.34Å; L409-Y413 WeakPolarHBondContact O-CD2 3.34Å; L409-Y413 PolarHBondContact O-N 3.42Å; S410-Y413 PolarHBondContact O-N 2.96Å; Y411-Y413 VanDerWaalsContact C-N 3.35Å; Y413-D415 PolarHBondContact O-N 3.15Å; Y413-S416 VanDerWaalsContact O-CB 3.28Å; Y413-S416 WeakPolarHBondContact O-CB 3.44Å; Y413-S416 PolarHBondContact O-N 3.13Å; Y413-S416 VanDerWaalsContact O-N 3.11Å; Y413-S416 PolarHBondContact O-OG 2.83Å
414R71.6Confident83.2Confident57 Ų5733.5 Ų33.522%0.21516%0.159CC..THydrogen-bonded Turntrans-44.4-64.9-170.3-65.2-160.1-175.2-158.11.2115.5Y326 S410 Y411 L412 S416Y326-R414 VanDerWaalsContact CE2-CA 3.49Å; Y326-R414 HydrophobicContact CE2-CB 4.05Å; Y326-R414 HydrophobicContact CE2-CG 4.08Å; Y326-R414 WeakPolarHBondContact CE2-O 3.12Å; Y326-R414 WeakPolarHBondContact OH-CA 3.49Å; Y326-R414 PolarHBondContact OH-N 3.31Å; Y326-R414 VanDerWaalsContact OH-N 3.13Å; S410-R414 WeakPolarHBondContact O-CG 3.33Å; S410-R414 PolarHBondContact O-N 3.24Å; Y411-R414 PolarHBondContact O-N 3.34Å; L412-R414 PolarHBondContact O-N 3.09Å; R414-S416 VanDerWaalsContact C-N 3.32Å
415D67.5Low83.8Confident15 Ų1532.4 Ų32.48%0.0815%0.153CC..THydrogen-bonded Turntrans-98.48.7-174-46.53.7000110.9R323 Y413 I417R323-D415 WeakPolarHBondContact CA-OD1 3.5Å; R323-D415 WeakPolarHBondContact CB-OD1 3.07Å; R323-D415 VanDerWaalsContact CG-OD2 3.23Å; R323-D415 WeakPolarHBondContact CG-OD2 3.34Å; R323-D415 IonicContact NE-OD2 3.4Å; Y413-D415 PolarHBondContact O-N 3.15Å; D415-I417 PolarHBondContact O-N 2.93Å
416S76.9Confident84.5Confident9 Ų928.7 Ų28.76%0.06314%0.136CC..Hα-helixtrans-63.9-25.7-174.4690000112.1M358 Y413 R414 Y418 V420 P421M358-S416 WeakPolarHBondContact CE-O 3.08Å; Y413-S416 VanDerWaalsContact O-CB 3.28Å; Y413-S416 WeakPolarHBondContact O-CB 3.44Å; Y413-S416 PolarHBondContact O-N 3.13Å; Y413-S416 VanDerWaalsContact O-N 3.11Å; Y413-S416 PolarHBondContact O-OG 2.83Å; R414-S416 VanDerWaalsContact C-N 3.32Å; S416-Y418 PolarHBondContact O-N 2.82Å; S416-V420 VanDerWaalsContact O-CB 3.28Å; S416-V420 WeakPolarHBondContact O-CB 3.44Å; S416-V420 PolarHBondContact O-N 3.42Å; S416-P421 WeakPolarHBondContact O-CD 3.07Å
417I77.4Confident85.3Confident15 Ų1522.1 Ų22.18%0.07711%0.105CC..Hα-helixtrans-51.9-26-177.4-162.1162.9000114.1L352 P353 M358 D415 P421L352-I417 HydrophobicContact CD2-CG2 4.35Å; P353-I417 WeakPolarHBondContact CD-O 3.44Å; M358-I417 VanDerWaalsContact CE-CA 3.41Å; M358-I417 HydrophobicContact CE-CB 4.44Å; D415-I417 PolarHBondContact O-N 2.93Å; I417-P421 WeakPolarHBondContact O-CG 3.26Å
418Y81.1Confident86Confident5 Ų516.6 Ų16.62%0.028%0.079CC..Hα-helixtrans-98.3-60.7-174.3-172.4-98.6000114.4N316 I319 L349 P350 L352 S416 Q422N316-Y418 HydrophobicContact CB-CE1 4.29Å; I319-Y418 HydrophobicContact CD1-CD1 3.28Å; I319-Y418 HydrophobicContact CD1-CD2 3.76Å; I319-Y418 HydrophobicContact CD1-CE1 3.41Å; I319-Y418 VanDerWaalsContact CD1-CE1 3.41Å; I319-Y418 HydrophobicContact CD1-CE2 3.89Å; I319-Y418 HydrophobicContact CD1-CG 3.44Å; I319-Y418 VanDerWaalsContact CD1-CG 3.44Å; L349-Y418 HydrophobicContact CB-CE2 4.23Å; P350-Y418 HydrophobicContact CB-CE2 3.85Å; P350-Y418 WeakPolarHBondContact CD-OH 3.3Å; P350-Y418 HydrophobicContact CG-CE2 4Å; P350-Y418 WeakPolarHBondContact CG-OH 3.13Å; L352-Y418 HydrophobicContact CD2-CD2 3.74Å; S416-Y418 PolarHBondContact O-N 2.82Å; Y418-Q422 WeakPolarHBondContact O-CG 3.25Å
419Y88Confident86.6Confident13 Ų1316.4 Ų16.45%0.0518%0.077CC..Hα-helixtrans-88.4-27.1-171.2-66.4-67.4000114.2L79 M181 I319 Q422 V423L79-Y419 VanDerWaalsContact CD2-CB 3.49Å; M181-Y419 HydrophobicContact CB-CD1 3.97Å; M181-Y419 HydrophobicContact CB-CE1 3.81Å; M181-Y419 HydrophobicContact CE-CE1 3.94Å; M181-Y419 HydrophobicContact CE-CE2 3.97Å; M181-Y419 WeakPolarHBondContact CE-OH 3.43Å; M181-Y419 HydrophobicContact CG-CD1 3.93Å; M181-Y419 HydrophobicContact CG-CE1 3.33Å; M181-Y419 HydrophobicContact SD-CD1 3.86Å; M181-Y419 HydrophobicContact SD-CD2 4.42Å; M181-Y419 HydrophobicContact SD-CE1 3.48Å; M181-Y419 WeakPolarHBondContact SD-CE1 3.25Å; M181-Y419 HydrophobicContact SD-CE2 4.13Å; M181-Y419 HydrophobicContact SD-CG 4.33Å; I319-Y419 HydrophobicContact CD1-CE2 4.29Å; I319-Y419 HydrophobicContact CG2-CE2 4.45Å; Y419-Q422 WeakPolarHBondContact O-CB 3.31Å; Y419-Q422 PolarHBondContact O-N 2.69Å; Y419-Q422 VanDerWaalsContact O-N 3.14Å; Y419-V423 PolarHBondContact O-N 3.06Å; Y419-V423 VanDerWaalsContact O-N 3.1Å
420V91.2Very high87.3Confident2 Ų214.8 Ų14.81%0.0127%0.069CC..Hα-helixtrans-60.5-47.6178.91670000111.9A82 Y361 S416 Q422 V423 V424 F470A82-V420 HydrophobicContact CB-CB 4.3Å; A82-V420 HydrophobicContact CB-CG1 3.82Å; A82-V420 HydrophobicContact CB-CG2 4.19Å; Y361-V420 HydrophobicContact CD1-CG1 3.97Å; Y361-V420 HydrophobicContact CD2-CG1 4.11Å; Y361-V420 HydrophobicContact CE1-CG1 3.64Å; Y361-V420 HydrophobicContact CE1-CG2 4.38Å; Y361-V420 HydrophobicContact CE2-CG1 3.77Å; Y361-V420 HydrophobicContact CG-CG1 4.22Å; S416-V420 VanDerWaalsContact O-CB 3.28Å; S416-V420 WeakPolarHBondContact O-CB 3.44Å; S416-V420 PolarHBondContact O-N 3.42Å; V420-Q422 PolarHBondContact O-N 3.06Å; V420-Q422 VanDerWaalsContact O-N 3.16Å; V420-V423 PolarHBondContact O-N 2.87Å; V420-V424 HydrophobicContact CG1-CG2 4.33Å; V420-V424 WeakPolarHBondContact O-CG2 3.42Å; V420-V424 PolarHBondContact O-N 3.07Å; V420-F470 HydrophobicContact CG1-CE2 4.39Å
421P92.4Very high88.1Confident4 Ų412.8 Ų12.83%0.0266%0.055CC..Hα-helixtrans-55.3-35.3175.4-25.834.3000112.7P353 M358 S416 I417 V424 N425 F470P353-P421 HydrophobicContact CG-CB 4.29Å; P353-P421 HydrophobicContact CG-CG 3.68Å; M358-P421 HydrophobicContact CE-CG 3.56Å; S416-P421 WeakPolarHBondContact O-CD 3.07Å; I417-P421 WeakPolarHBondContact O-CG 3.26Å; P421-V424 PolarHBondContact O-N 2.79Å; P421-N425 VanDerWaalsContact O-CB 3.25Å; P421-N425 WeakPolarHBondContact O-CB 3.38Å; P421-N425 PolarHBondContact O-N 3.12Å; P421-N425 PolarHBondContact O-ND2 2.96Å; P421-F470 HydrophobicContact CB-CB 4.01Å; P421-F470 HydrophobicContact CB-CD1 3.8Å; P421-F470 HydrophobicContact CB-CD2 4.46Å; P421-F470 HydrophobicContact CB-CE1 4.43Å; P421-F470 HydrophobicContact CB-CG 3.82Å; P421-F470 HydrophobicContact CG-CD1 3.86Å; P421-F470 HydrophobicContact CG-CE1 4.01Å; P421-F470 HydrophobicContact CG-CG 4.26Å
422Q94.5Very high88.9Confident17 Ų1712.1 Ų12.18%0.0796%0.055CC..Hα-helixtrans-71.7-38.5-178.2-54.1-54.9-21.600112.2T199 V200 Y418 Y419 V420 S426T199-Q422 VanDerWaalsContact CB-OE1 3.32Å; T199-Q422 PolarHBondContact O-OE1 3.34Å; T199-Q422 VanDerWaalsContact O-OE1 3.07Å; T199-Q422 WeakPolarHBondContact OG1-CB 3.28Å; T199-Q422 PolarHBondContact OG1-O 2.05Å; V200-Q422 HydrophobicContact CG1-CB 4.28Å; V200-Q422 HydrophobicContact CG1-CG 3.84Å; Y418-Q422 WeakPolarHBondContact O-CG 3.25Å; Y419-Q422 WeakPolarHBondContact O-CB 3.31Å; Y419-Q422 PolarHBondContact O-N 2.69Å; Y419-Q422 VanDerWaalsContact O-N 3.14Å; V420-Q422 PolarHBondContact O-N 3.06Å; V420-Q422 VanDerWaalsContact O-N 3.16Å; Q422-S426 PolarHBondContact O-N 2.94Å; Q422-S426 PolarHBondContact O-OG 2.86Å
423V96.6Very high89.6Confident0 Ų012.2 Ų12.20%06%0.056CC..Hα-helixtrans-65.6-46.8172.6178.80000110.7F54 L79 A82 M83 V155 Y180 Y419 V420 N425 S426 V427F54-V423 HydrophobicContact CE1-CG1 4.17Å; F54-V423 HydrophobicContact CE1-CG2 4.37Å; F54-V423 HydrophobicContact CZ-CG1 4.3Å; L79-V423 HydrophobicContact CB-CG2 4.18Å; L79-V423 HydrophobicContact CD2-CG2 3.76Å; A82-V423 HydrophobicContact CB-CB 3.95Å; A82-V423 HydrophobicContact CB-CG1 3.96Å; M83-V423 HydrophobicContact CB-CG1 3.92Å; V155-V423 HydrophobicContact CG1-CG1 4.44Å; Y180-V423 HydrophobicContact CD1-CG2 3.78Å; Y180-V423 HydrophobicContact CD2-CG2 3.92Å; Y180-V423 HydrophobicContact CE1-CG2 4.35Å; Y180-V423 HydrophobicContact CG-CG2 3.53Å; Y419-V423 PolarHBondContact O-N 3.06Å; Y419-V423 VanDerWaalsContact O-N 3.1Å; V420-V423 PolarHBondContact O-N 2.87Å; V423-N425 VanDerWaalsContact C-N 3.33Å; V423-N425 PolarHBondContact O-N 3.38Å; V423-S426 WeakPolarHBondContact O-CB 3.49Å; V423-S426 PolarHBondContact O-N 2.97Å; V423-S426 VanDerWaalsContact O-N 3.12Å; V423-V427 PolarHBondContact O-N 2.96Å
424V95.8Very high90.3Very high0 Ų09.4 Ų9.40%05%0.045CC..Hα-helixtrans-61.2-44.6179.6176.10000110.6A82 Y85 A86 V420 P421 S426 V427 Y428 F470A82-V424 HydrophobicContact CB-CG2 4.34Å; Y85-V424 HydrophobicContact CD1-CG2 4.03Å; Y85-V424 HydrophobicContact CE1-CG2 4.39Å; A86-V424 HydrophobicContact CB-CB 4.33Å; A86-V424 HydrophobicContact CB-CG1 4Å; A86-V424 HydrophobicContact CB-CG2 4.28Å; V420-V424 HydrophobicContact CG1-CG2 4.33Å; V420-V424 WeakPolarHBondContact O-CG2 3.42Å; V420-V424 PolarHBondContact O-N 3.07Å; P421-V424 PolarHBondContact O-N 2.79Å; V424-S426 VanDerWaalsContact C-N 3.29Å; V424-S426 PolarHBondContact O-N 3.48Å; V424-V427 PolarHBondContact O-N 3.07Å; V424-Y428 HydrophobicContact CG1-CD1 4.19Å; V424-Y428 HydrophobicContact CG1-CD2 4Å; V424-Y428 HydrophobicContact CG1-CE1 3.86Å; V424-Y428 HydrophobicContact CG1-CE2 3.65Å; V424-Y428 HydrophobicContact CG1-CG 4.25Å; V424-Y428 PolarHBondContact O-N 3.35Å; V424-F470 HydrophobicContact CB-CD2 3.86Å; V424-F470 HydrophobicContact CG1-CB 4.42Å; V424-F470 HydrophobicContact CG1-CD2 3.91Å; V424-F470 HydrophobicContact CG2-CD2 3.92Å; V424-F470 HydrophobicContact CG2-CE2 4.3Å
425N96Very high91.3Very high13 Ų1310.5 Ų10.57%0.075%0.051CC..Hα-helixtrans-61.8-34.8175.7-75.7-21000112.6T199 P421 V423 Y428 A429 F467 G469 F470 F475T199-N425 HydrophobicContact CG2-CB 4.02Å; P421-N425 VanDerWaalsContact O-CB 3.25Å; P421-N425 WeakPolarHBondContact O-CB 3.38Å; P421-N425 PolarHBondContact O-N 3.12Å; P421-N425 PolarHBondContact O-ND2 2.96Å; V423-N425 VanDerWaalsContact C-N 3.33Å; V423-N425 PolarHBondContact O-N 3.38Å; N425-Y428 PolarHBondContact O-N 2.92Å; N425-A429 VanDerWaalsContact O-CB 3.26Å; N425-A429 WeakPolarHBondContact O-CB 3.5Å; N425-A429 PolarHBondContact O-N 2.05Å; N425-F467 WeakPolarHBondContact O-CZ 3.41Å; N425-G469 WeakPolarHBondContact OD1-CA 3.27Å; N425-F470 PolarHBondContact OD1-N 2.98Å; N425-F475 HydrophobicContact CB-CD2 4.3Å; N425-F475 HydrophobicContact CB-CE2 4.43Å; N425-F475 HydrophobicContact CB-CG 4.48Å
426S97.6Very high92.5Very high0 Ų014.2 Ų14.20%07%0.068CC..Hα-helixtrans-62.3-44.4174.9-62.70000111.7I178 T199 Q422 V423 V424 I430I178-S426 VanDerWaalsContact CG2-OG 3.32Å; I178-S426 WeakPolarHBondContact CG2-OG 3.26Å; T199-S426 VanDerWaalsContact CG2-OG 3.31Å; T199-S426 WeakPolarHBondContact CG2-OG 3.37Å; T199-S426 PolarHBondContact OG1-OG 2.83Å; Q422-S426 PolarHBondContact O-N 2.94Å; Q422-S426 PolarHBondContact O-OG 2.86Å; V423-S426 WeakPolarHBondContact O-CB 3.49Å; V423-S426 PolarHBondContact O-N 2.97Å; V423-S426 VanDerWaalsContact O-N 3.12Å; V424-S426 VanDerWaalsContact C-N 3.29Å; V424-S426 PolarHBondContact O-N 3.48Å; S426-I430 WeakPolarHBondContact O-CG1 3.02Å; S426-I430 PolarHBondContact O-N 2.87Å
427V97.9Very high93.2Very high0 Ų013.8 Ų13.80%07%0.065CC..Hα-helixtrans-68.1-44.4177.3178.30000110.9L50 M83 A86 I87 V155 V423 V424 A429 I430 A431L50-V427 HydrophobicContact CD1-CG1 4.24Å; M83-V427 HydrophobicContact CB-CG2 4.42Å; M83-V427 HydrophobicContact CG-CG2 3.86Å; A86-V427 HydrophobicContact CB-CB 3.65Å; A86-V427 HydrophobicContact CB-CG1 3.74Å; A86-V427 HydrophobicContact CB-CG2 3.99Å; I87-V427 HydrophobicContact CG1-CG1 4.11Å; V155-V427 HydrophobicContact CG2-CG2 4.17Å; V423-V427 PolarHBondContact O-N 2.96Å; V424-V427 PolarHBondContact O-N 3.07Å; V427-A429 VanDerWaalsContact C-N 3.31Å; V427-A429 PolarHBondContact O-N 2.99Å; V427-I430 PolarHBondContact O-N 3.05Å; V427-A431 WeakPolarHBondContact O-CB 3.38Å; V427-A431 PolarHBondContact O-N 2.83Å
428Y97.1Very high93.7Very high10 Ų1014.7 Ų14.74%0.0397%0.068CC..Hα-helixtrans-63.5-35.9178-744000112.4A86 N89 I90 V424 N425 A431 N432A86-Y428 HydrophobicContact CB-CD1 4.31Å; A86-Y428 HydrophobicContact CB-CE1 3.99Å; N89-Y428 VanDerWaalsContact CG-OH 3.22Å; N89-Y428 PolarHBondContact OD1-OH 3.13Å; N89-Y428 VanDerWaalsContact OD1-OH 3.08Å; I90-Y428 HydrophobicContact CD1-CD1 3.77Å; I90-Y428 HydrophobicContact CD1-CE1 3.88Å; I90-Y428 HydrophobicContact CG1-CD1 3.82Å; I90-Y428 HydrophobicContact CG1-CE1 3.81Å; V424-Y428 HydrophobicContact CG1-CD1 4.19Å; V424-Y428 HydrophobicContact CG1-CD2 4Å; V424-Y428 HydrophobicContact CG1-CE1 3.86Å; V424-Y428 HydrophobicContact CG1-CE2 3.65Å; V424-Y428 HydrophobicContact CG1-CG 4.25Å; V424-Y428 PolarHBondContact O-N 3.35Å; N425-Y428 PolarHBondContact O-N 2.92Å; Y428-A431 PolarHBondContact O-N 2.86Å; Y428-N432 WeakPolarHBondContact O-CB 3.5Å; Y428-N432 PolarHBondContact O-N 3.42Å; Y428-N432 PolarHBondContact O-ND2 3.11Å
429A97.2Very high94.1Very high0 Ų019 Ų190%010%0.095CC..Hα-helixtrans-60.5-49173.600000111.2I178 N425 V427 A431 N432 A433 L462 F467 F477I178-A429 HydrophobicContact CD1-CB 4.07Å; N425-A429 VanDerWaalsContact O-CB 3.26Å; N425-A429 WeakPolarHBondContact O-CB 3.5Å; N425-A429 PolarHBondContact O-N 2.05Å; V427-A429 VanDerWaalsContact C-N 3.31Å; V427-A429 PolarHBondContact O-N 2.99Å; A429-A431 PolarHBondContact O-N 3.2Å; A429-N432 PolarHBondContact O-N 2.92Å; A429-A433 VanDerWaalsContact O-CB 3.31Å; A429-A433 WeakPolarHBondContact O-CB 3.38Å; A429-A433 PolarHBondContact O-N 3.15Å; A429-L462 HydrophobicContact CB-CD2 3.93Å; A429-L462 WeakPolarHBondContact O-CD2 3.43Å; A429-F467 VanDerWaalsContact CA-CE1 3.46Å; A429-F467 HydrophobicContact CB-CE1 3.59Å; A429-F467 HydrophobicContact CB-CZ 3.64Å; A429-F477 HydrophobicContact CB-CE2 3.84Å; A429-F477 HydrophobicContact CB-CZ 3.92Å
430I96.8Very high94.1Very high0 Ų023.1 Ų23.10%012%0.115CC..Hα-helixtrans-61.9-46177.7-64.2162000110.5L50 A153 V155 I178 S426 V427 N432 A433 L434 L462L50-I430 HydrophobicContact CD1-CD1 4.41Å; L50-I430 HydrophobicContact CD1-CG2 4.42Å; L50-I430 HydrophobicContact CD2-CG2 3.69Å; A153-I430 HydrophobicContact CB-CD1 3.75Å; A153-I430 HydrophobicContact CB-CG1 4.02Å; A153-I430 HydrophobicContact CB-CG2 4.18Å; V155-I430 HydrophobicContact CG2-CD1 3.44Å; V155-I430 VanDerWaalsContact CG2-CD1 3.44Å; I178-I430 HydrophobicContact CD1-CD1 4.11Å; I178-I430 HydrophobicContact CD1-CG1 3.66Å; I178-I430 HydrophobicContact CG1-CG1 4.5Å; S426-I430 WeakPolarHBondContact O-CG1 3.02Å; S426-I430 PolarHBondContact O-N 2.87Å; V427-I430 PolarHBondContact O-N 3.05Å; I430-N432 PolarHBondContact O-N 3.12Å; I430-A433 PolarHBondContact O-N 2.77Å; I430-L434 HydrophobicContact CG2-CD1 3.78Å; I430-L434 HydrophobicContact CG2-CG 4.2Å; I430-L434 WeakPolarHBondContact O-CB 2.78Å; I430-L434 VanDerWaalsContact O-CG 3.28Å; I430-L434 WeakPolarHBondContact O-CG 3.03Å; I430-L434 PolarHBondContact O-N 2.89Å; I430-L462 HydrophobicContact CG1-CD2 4.45Å
431A96.2Very high94Very high0 Ų027.3 Ų27.30%013%0.131CC..Hα-helixtrans-61.9-44.2-179.900000112.5I90 Y96 L97 L101 V427 Y428 A429 K435I90-A431 HydrophobicContact CD1-CB 3.98Å; I90-A431 HydrophobicContact CG1-CB 4.06Å; I90-A431 HydrophobicContact CG2-CB 4.15Å; Y96-A431 HydrophobicContact CE1-CB 4.17Å; L97-A431 HydrophobicContact CD1-CB 4.41Å; L101-A431 HydrophobicContact CD1-CB 3.89Å; V427-A431 WeakPolarHBondContact O-CB 3.38Å; V427-A431 PolarHBondContact O-N 2.83Å; Y428-A431 PolarHBondContact O-N 2.86Å; A429-A431 PolarHBondContact O-N 3.2Å; A431-K435 WeakPolarHBondContact O-CB 2.84Å; A431-K435 PolarHBondContact O-N 2.98Å
432N95.8Very high93.4Very high37 Ų3732 Ų3220%0.19816%0.162CC..Hα-helixtrans-65.8-42.6176.2-83.6-75.3000112.1Y96 Y428 A429 I430 K435 Q436 F467Y96-N432 PolarHBondContact OH-ND2 2.98Å; Y96-N432 PolarHBondContact OH-OD1 3.29Å; Y428-N432 WeakPolarHBondContact O-CB 3.5Å; Y428-N432 PolarHBondContact O-N 3.42Å; Y428-N432 PolarHBondContact O-ND2 3.11Å; A429-N432 PolarHBondContact O-N 2.92Å; I430-N432 PolarHBondContact O-N 3.12Å; N432-K435 WeakPolarHBondContact O-CB 3.42Å; N432-K435 PolarHBondContact O-N 2.8Å; N432-Q436 PolarHBondContact O-N 3.48Å; N432-F467 HydrophobicContact CB-CB 4.17Å; N432-F467 HydrophobicContact CB-CD1 4.41Å; N432-F467 HydrophobicContact CB-CG 4.36Å; N432-F467 VanDerWaalsContact CG-CB 3.47Å; N432-F467 VanDerWaalsContact ND2-CB 3.27Å; N432-F467 WeakPolarHBondContact ND2-CB 3.45Å; N432-F467 WeakPolarHBondContact ND2-CG 3.31Å
433A95.2Very high92.5Very high1 Ų139.9 Ų39.91%0.00820%0.201CC..Hα-helixtrans-65.9-41.6177.800000111.6A429 I430 Q436 V437 L458 E461 L462A429-A433 VanDerWaalsContact O-CB 3.31Å; A429-A433 WeakPolarHBondContact O-CB 3.38Å; A429-A433 PolarHBondContact O-N 3.15Å; I430-A433 PolarHBondContact O-N 2.77Å; A433-Q436 PolarHBondContact O-N 3.5Å; A433-V437 WeakPolarHBondContact O-CG2 3.42Å; A433-V437 PolarHBondContact O-N 3.31Å; A433-L458 HydrophobicContact CB-CD1 3.58Å; A433-E461 HydrophobicContact CB-CB 4.06Å; A433-L462 HydrophobicContact CB-CB 4.44Å; A433-L462 HydrophobicContact CB-CD2 3.68Å; A433-L462 HydrophobicContact CB-CG 3.68Å
434L93.2Very high91.3Very high0 Ų041 Ų410%021%0.207CC..Hα-helixtrans-60.4-46.4173-73.6171.7000111.4V48 F99 L101 T152 I430 Q436 V437 F438 L458V48-L434 HydrophobicContact CG1-CD1 4.34Å; F99-L434 HydrophobicContact CZ-CB 4.43Å; L101-L434 HydrophobicContact CD2-CD1 4.03Å; T152-L434 HydrophobicContact CG2-CD1 4.27Å; T152-L434 HydrophobicContact CG2-CD2 3.79Å; I430-L434 HydrophobicContact CG2-CD1 3.78Å; I430-L434 HydrophobicContact CG2-CG 4.2Å; I430-L434 WeakPolarHBondContact O-CB 2.78Å; I430-L434 VanDerWaalsContact O-CG 3.28Å; I430-L434 WeakPolarHBondContact O-CG 3.03Å; I430-L434 PolarHBondContact O-N 2.89Å; L434-Q436 VanDerWaalsContact C-N 3.26Å; L434-Q436 PolarHBondContact O-N 3.14Å; L434-V437 PolarHBondContact O-N 2.98Å; L434-F438 HydrophobicContact CB-CD2 4.34Å; L434-F438 HydrophobicContact CB-CE2 4.34Å; L434-F438 HydrophobicContact CD2-CE2 3.92Å; L434-F438 WeakPolarHBondContact O-CD2 3.33Å; L434-F438 PolarHBondContact O-N 3.37Å; L434-L458 HydrophobicContact CD2-CD1 3.84Å; L434-L458 HydrophobicContact CD2-CD2 4.2Å; L434-L458 HydrophobicContact CG-CD1 3.87Å
435K92.9Very high90Very high80 Ų8048 Ų4835%0.34824%0.237SC..Hα-helixtrans-53.3-46.2175.4-178.9-179.6179.6179.60111.2Y96 L97 A431 N432 T439Y96-K435 HydrophobicContact CD2-CD 4.37Å; Y96-K435 HydrophobicContact CE2-CD 3.99Å; L97-K435 HydrophobicContact CD2-CB 3.82Å; A431-K435 WeakPolarHBondContact O-CB 2.84Å; A431-K435 PolarHBondContact O-N 2.98Å; N432-K435 WeakPolarHBondContact O-CB 3.42Å; N432-K435 PolarHBondContact O-N 2.8Å; K435-T439 VanDerWaalsContact O-CB 3.26Å; K435-T439 WeakPolarHBondContact O-CB 3.44Å; K435-T439 PolarHBondContact O-N 2.94Å; K435-T439 PolarHBondContact O-OG1 2.75Å
436Q92.6Very high88.5Confident93 Ų9350.1 Ų50.144%0.43524%0.244SC..Hα-helixtrans-65.9-43.9179.1-172.957.928.800112.2N432 A433 L434 T439 Q440 E461N432-Q436 PolarHBondContact O-N 3.48Å; A433-Q436 PolarHBondContact O-N 3.5Å; L434-Q436 VanDerWaalsContact C-N 3.26Å; L434-Q436 PolarHBondContact O-N 3.14Å; Q436-T439 PolarHBondContact O-N 3.01Å; Q436-Q440 WeakPolarHBondContact O-CB 3.27Å; Q436-Q440 PolarHBondContact O-N 3.36Å; Q436-E461 HydrophobicContact CB-CG 4.49Å; Q436-E461 HydrophobicContact CG-CG 4.21Å; Q436-E461 WeakPolarHBondContact CG-OE2 3.5Å
437V91.6Very high86.9Confident0 Ų055.7 Ų55.70%027%0.27CS..Hα-helixtrans-59.2-49.6176.3170.90000111.4A433 L434 T439 Q440 Y441 L444 T454 L457 E461A433-V437 WeakPolarHBondContact O-CG2 3.42Å; A433-V437 PolarHBondContact O-N 3.31Å; L434-V437 PolarHBondContact O-N 2.98Å; V437-T439 VanDerWaalsContact C-N 3.33Å; V437-T439 PolarHBondContact O-N 3.27Å; V437-Q440 PolarHBondContact O-N 3.18Å; V437-Y441 HydrophobicContact CG1-CD2 4.48Å; V437-Y441 WeakPolarHBondContact O-CB 3.46Å; V437-Y441 WeakPolarHBondContact O-CD2 3.49Å; V437-Y441 PolarHBondContact O-N 2.91Å; V437-L444 HydrophobicContact CG1-CD2 3.79Å; V437-T454 HydrophobicContact CG1-CG2 4.42Å; V437-L457 HydrophobicContact CG1-CB 4.27Å; V437-L457 HydrophobicContact CG2-CB 4.16Å; V437-E461 HydrophobicContact CG2-CB 4.15Å; V437-E461 HydrophobicContact CG2-CG 3.68Å
438F88.4Confident85Confident34 Ų3460.5 Ų60.515%0.14929%0.292CS..Hα-helixtrans-73.8-24.6-178.7-70.9-69000113.3F99 L434 Y441 P442 L444 W446F99-F438 AromaticContact CE1-CD2 3.42Å; F99-F438 HydrophobicContact CE1-CD2 3.42Å; F99-F438 VanDerWaalsContact CE1-CD2 3.42Å; F99-F438 AromaticContact CE1-CE2 3.46Å; F99-F438 HydrophobicContact CE1-CE2 3.46Å; F99-F438 VanDerWaalsContact CE1-CE2 3.46Å; F99-F438 HydrophobicContact CE1-CG 4.05Å; F99-F438 HydrophobicContact CE1-CZ 4.1Å; F99-F438 AromaticContact CZ-CD2 3.55Å; F99-F438 HydrophobicContact CZ-CD2 3.55Å; F99-F438 AromaticContact CZ-CE2 3.37Å; F99-F438 HydrophobicContact CZ-CE2 3.37Å; F99-F438 HydrophobicContact CZ-CZ 4.29Å; L434-F438 HydrophobicContact CB-CD2 4.34Å; L434-F438 HydrophobicContact CB-CE2 4.34Å; L434-F438 HydrophobicContact CD2-CE2 3.92Å; L434-F438 WeakPolarHBondContact O-CD2 3.33Å; L434-F438 PolarHBondContact O-N 3.37Å; F438-Y441 CarbonylContact O-C 3.59Å; F438-P442 WeakPolarHBondContact O-CA 3.46Å; F438-L444 VanDerWaalsContact CD1-O 3.29Å; F438-L444 WeakPolarHBondContact CD1-O 3.22Å; F438-L444 WeakPolarHBondContact CE1-O 3.42Å; F438-W446 HydrophobicContact CZ-CB 4.36Å; F438-W446 HydrophobicContact CZ-CE3 4.22Å
439T88.7Confident83.4Confident96 Ų9669.9 Ų69.959%0.58933%0.333SS*.Hα-helixtrans-70.4-42170.6-58.80000111K435 Q436 V437K435-T439 VanDerWaalsContact O-CB 3.26Å; K435-T439 WeakPolarHBondContact O-CB 3.44Å; K435-T439 PolarHBondContact O-N 2.94Å; K435-T439 PolarHBondContact O-OG1 2.75Å; Q436-T439 PolarHBondContact O-N 3.01Å; V437-T439 VanDerWaalsContact C-N 3.33Å; V437-T439 PolarHBondContact O-N 3.27Å
440Q89.2Confident82Confident98 Ų9870.7 Ų70.746%0.45834%0.339SS..Hα-helixtrans-75.4-32.4179.6-170.4174.712.500112.5Q436 V437 P442Q436-Q440 WeakPolarHBondContact O-CB 3.27Å; Q436-Q440 PolarHBondContact O-N 3.36Å; V437-Q440 PolarHBondContact O-N 3.18Å; Q440-P442 VanDerWaalsContact C-CD 3.48Å; Q440-P442 WeakPolarHBondContact O-CD 3.22Å
441Y87.8Confident81Confident90 Ų9072 Ų7235%0.35334%0.344SS..  trans-126.169.7-178.1-56.3-80.4000111.2V437 F438 M443 L444 L457V437-Y441 HydrophobicContact CG1-CD2 4.48Å; V437-Y441 WeakPolarHBondContact O-CB 3.46Å; V437-Y441 WeakPolarHBondContact O-CD2 3.49Å; V437-Y441 PolarHBondContact O-N 2.91Å; F438-Y441 CarbonylContact O-C 3.59Å; Y441-M443 PolarHBondContact O-N 3.47Å; Y441-M443 VanDerWaalsContact O-N 3.15Å; Y441-L444 WeakPolarHBondContact O-CB 3.28Å; Y441-L444 PolarHBondContact O-N 2.92Å; Y441-L457 HydrophobicContact CD2-CD1 3.97Å; Y441-L457 HydrophobicContact CE2-CD1 3.92Å; Y441-L457 HydrophobicContact CE2-CD2 3.88Å; Y441-L457 HydrophobicContact CE2-CG 4.49Å
442P80.7Confident80.2Confident103 Ų10377 Ų7767%0.66937%0.367SS*.THydrogen-bonded Turntrans-65.6-19.8-176.824-33.1000113.9F438 Q440 L444F438-P442 WeakPolarHBondContact O-CA 3.46Å; Q440-P442 VanDerWaalsContact C-CD 3.48Å; Q440-P442 WeakPolarHBondContact O-CD 3.22Å; P442-L444 VanDerWaalsContact C-N 3.28Å
443M74.9Confident79.6Confident182 Ų18280.3 Ų80.390%0.89738%0.381SS*.THydrogen-bonded Turntrans-76.4-16.1173-64.1-66.7-179.300112.9Y441 K445Y441-M443 PolarHBondContact O-N 3.47Å; Y441-M443 VanDerWaalsContact O-N 3.15Å; M443-K445 PolarHBondContact O-N 3.47Å; M443-K445 VanDerWaalsContact O-N 3.1Å
444L72.6Confident79.1Confident24 Ų2480.2 Ų80.213%0.12638%0.381CS..  trans-73.7101.4177.2-165.172.4000107.8V437 F438 Y441 P442 T454 L457V437-L444 HydrophobicContact CG1-CD2 3.79Å; F438-L444 VanDerWaalsContact CD1-O 3.29Å; F438-L444 WeakPolarHBondContact CD1-O 3.22Å; F438-L444 WeakPolarHBondContact CE1-O 3.42Å; Y441-L444 WeakPolarHBondContact O-CB 3.28Å; Y441-L444 PolarHBondContact O-N 2.92Å; P442-L444 VanDerWaalsContact C-N 3.28Å; L444-T454 HydrophobicContact CD2-CG2 3.87Å; L444-L457 HydrophobicContact CD2-CD1 4.31Å
445K67Low79Confident148 Ų14881.3 Ų81.364%0.64339%0.385SS*.  trans-85.4142.9165.4-70.9-173.3178.6-173.60109M443 H447 S450M443-K445 PolarHBondContact O-N 3.47Å; M443-K445 VanDerWaalsContact O-N 3.1Å; K445-H447 VanDerWaalsContact CB-CD2 3.48Å; K445-H447 WeakPolarHBondContact CB-CD2 3.27Å; K445-H447 PolarHBondContact O-N 3.42Å; K445-S450 PolarHBondContact O-OG 2.93Å; K445-S450 VanDerWaalsContact O-OG 3.09Å
446W65.1Low78.9Confident56 Ų5683.2 Ų83.221%0.21239%0.39CS..SBendtrans-67.398.8172-171.8-104.8000109.2V48 T152 F438 T454V48-W446 HydrophobicContact CG2-CB 4.49Å; V48-W446 HydrophobicContact CG2-CD2 4.5Å; V48-W446 HydrophobicContact CG2-CG 4.13Å; T152-W446 HydrophobicContact CG2-CH2 3.44Å; T152-W446 VanDerWaalsContact CG2-CH2 3.44Å; T152-W446 HydrophobicContact CG2-CZ2 4.12Å; T152-W446 HydrophobicContact CG2-CZ3 3.73Å; T152-W446 WeakPolarHBondContact OG1-CH2 3.46Å; T152-W446 WeakPolarHBondContact OG1-CZ2 3.4Å; F438-W446 HydrophobicContact CZ-CB 4.36Å; F438-W446 HydrophobicContact CZ-CE3 4.22Å; W446-T454 HydrophobicContact CE3-CG2 3.85Å; W446-T454 HydrophobicContact CZ3-CG2 3.49Å; W446-T454 VanDerWaalsContact CZ3-CG2 3.49Å
447H64.1Low78.9Confident117 Ų11780.1 Ų80.154%0.54238%0.376SS..  trans-146.9161.9-176.1-85.4-53.4000111.5K445 K449 S450K445-H447 VanDerWaalsContact CB-CD2 3.48Å; K445-H447 WeakPolarHBondContact CB-CD2 3.27Å; K445-H447 PolarHBondContact O-N 3.42Å; H447-K449 VanDerWaalsContact C-N 3.28Å; H447-K449 PolarHBondContact O-N 2.05Å; H447-K449 VanDerWaalsContact O-N 3.15Å; H447-S450 PolarHBondContact O-N 3.04Å; H447-S450 PolarHBondContact O-OG 3.37Å
448H57.7Low79Confident101 Ų10180.1 Ų80.147%0.46838%0.376SS..G310 helixtrans-47.4-47.4-178.9-177-55.5000113.5E148 S450 R451E148-H448 IonicContact OE1-CD2 3.73Å; E148-H448 IonicContact OE2-CD2 3.03Å; E148-H448 PolarHBondContact OE2-CD2 2.89Å; E148-H448 IonicContact OE2-CG 3.64Å; H448-S450 VanDerWaalsContact C-N 3.26Å; H448-S450 PolarHBondContact O-N 3.44Å; H448-R451 VanDerWaalsContact CA-CZ 3.45Å; H448-R451 PolarHBondContact CD2-NH1 3.26Å; H448-R451 PolarHBondContact CD2-NH2 2.7Å; H448-R451 PolarHBondContact NE2-NH1 2.92Å; H448-R451 VanDerWaalsContact NE2-NH1 3.17Å; H448-R451 WeakPolarHBondContact O-CG 3.2Å; H448-R451 PolarHBondContact O-N 3.25Å
449K63.1Low79.3Confident208 Ų20879.1 Ų79.190%0.90437%0.372SS*.G310 helixtrans-69.8-21-170.2-66.5-174.6178.3-179.50114H447H447-K449 VanDerWaalsContact C-N 3.28Å; H447-K449 PolarHBondContact O-N 2.05Å; H447-K449 VanDerWaalsContact O-N 3.15Å
450S68.4Low79.6Confident16 Ų1676.1 Ų76.111%0.11236%0.355CS..G310 helixtrans-104.95.5-176.254.60000113.6K445 H447 H448 E452 Q453 T454K445-S450 PolarHBondContact O-OG 2.93Å; K445-S450 VanDerWaalsContact O-OG 3.09Å; H447-S450 PolarHBondContact O-N 3.04Å; H447-S450 PolarHBondContact O-OG 3.37Å; H448-S450 VanDerWaalsContact C-N 3.26Å; H448-S450 PolarHBondContact O-N 3.44Å; S450-E452 PolarHBondContact O-N 2.98Å; S450-Q453 PolarHBondContact O-N 3.32Å; S450-T454 WeakPolarHBondContact O-CB 3.34Å; S450-T454 PolarHBondContact O-N 3.03Å; S450-T454 PolarHBondContact O-OG1 3.41Å
451R75.2Confident79.9Confident29 Ų2972.7 Ų72.711%0.10934%0.339CS..Hα-helixtrans-55.3-57.5-172.1-72.4177.6-172.6140.820.3113.8E148 Y150 H448 Q453 T454 R455E148-R451 IonicContact OE2-CZ 3.51Å; E148-R451 IonicContact OE2-NH1 3.58Å; E148-R451 IonicContact OE2-NH2 3.54Å; E148-R451 PolarHBondContact OE2-NH2 3.44Å; Y150-R451 PolarHBondContact OH-NH1 2.9Å; Y150-R451 VanDerWaalsContact OH-NH1 3.11Å; H448-R451 VanDerWaalsContact CA-CZ 3.45Å; H448-R451 PolarHBondContact CD2-NH1 3.26Å; H448-R451 PolarHBondContact CD2-NH2 2.7Å; H448-R451 PolarHBondContact NE2-NH1 2.92Å; H448-R451 VanDerWaalsContact NE2-NH1 3.17Å; H448-R451 WeakPolarHBondContact O-CG 3.2Å; H448-R451 PolarHBondContact O-N 3.25Å; R451-Q453 VanDerWaalsContact C-N 3.33Å; R451-Q453 PolarHBondContact O-N 3.21Å; R451-T454 PolarHBondContact O-N 3.42Å; R451-T454 VanDerWaalsContact O-N 3.16Å; R451-R455 WeakPolarHBondContact O-CG 3.47Å; R451-R455 PolarHBondContact O-N 3.39Å
452E79.8Confident80.3Confident103 Ų10368.4 Ų68.448%0.48132%0.322SS..Hα-helixtrans-61.1-44.5-176-160.1-164.113600111D174 S450 T454 R455 R456D174-E452 HydrophobicContact CB-CG 4.38Å; D174-E452 WeakPolarHBondContact OD2-CG 3.33Å; S450-E452 PolarHBondContact O-N 2.98Å; E452-T454 PolarHBondContact O-N 2.78Å; E452-R455 PolarHBondContact O-N 3.1Å; E452-R456 WeakPolarHBondContact O-CB 3.37Å; E452-R456 WeakPolarHBondContact O-CG 3.05Å; E452-R456 PolarHBondContact O-N 2.98Å; E452-R456 IonicContact OE1-CZ 3.49Å; E452-R456 VanDerWaalsContact OE1-CZ 3.27Å; E452-R456 IonicContact OE1-NE 3.83Å; E452-R456 PolarHBondContact OE1-NE 2.82Å; E452-R456 IonicContact OE1-NH2 3.61Å; E452-R456 PolarHBondContact OE1-NH2 3.23Å; E452-R456 IonicContact OE2-NH2 2.72Å
453Q83.8Confident80.9Confident107 Ų10766.1 Ų66.150%0.530%0.303SS..Hα-helixtrans-62.7-43.5175.8-174.4178.36.300111.7S450 R451 R456 L457S450-Q453 PolarHBondContact O-N 3.32Å; R451-Q453 VanDerWaalsContact C-N 3.33Å; R451-Q453 PolarHBondContact O-N 3.21Å; Q453-R456 PolarHBondContact O-N 3.15Å; Q453-L457 HydrophobicContact CG-CD1 4.13Å; Q453-L457 WeakPolarHBondContact O-CB 3.31Å; Q453-L457 VanDerWaalsContact O-CG 3.26Å; Q453-L457 WeakPolarHBondContact O-CG 3.4Å; Q453-L457 PolarHBondContact O-N 3.37Å
454T85.3Confident81.8Confident0 Ų064.3 Ų64.30%029%0.29CS..Hα-helixtrans-66.9-40.8-179.4-50.20000111V437 L444 W446 S450 R451 E452 L457 L458V437-T454 HydrophobicContact CG1-CG2 4.42Å; L444-T454 HydrophobicContact CD2-CG2 3.87Å; W446-T454 HydrophobicContact CE3-CG2 3.85Å; W446-T454 HydrophobicContact CZ3-CG2 3.49Å; W446-T454 VanDerWaalsContact CZ3-CG2 3.49Å; S450-T454 WeakPolarHBondContact O-CB 3.34Å; S450-T454 PolarHBondContact O-N 3.03Å; S450-T454 PolarHBondContact O-OG1 3.41Å; R451-T454 PolarHBondContact O-N 3.42Å; R451-T454 VanDerWaalsContact O-N 3.16Å; E452-T454 PolarHBondContact O-N 2.78Å; T454-L457 PolarHBondContact O-N 3.1Å; T454-L458 WeakPolarHBondContact O-CB 3.2Å; T454-L458 PolarHBondContact O-N 2.97Å
455R90.3Very high82.7Confident22 Ų2264 Ų648%0.08329%0.289CS..Hα-helixtrans-67.7-37.8177-67172177.6161.3-2.9112.6V151 L173 D174 I175 R451 E452 L458 L459V151-R455 PolarHBondContact O-NH2 2.91Å; L173-R455 PolarHBondContact O-NH1 3.3Å; D174-R455 WeakPolarHBondContact O-CB 3.37Å; D174-R455 VanDerWaalsContact O-CD 3.3Å; D174-R455 WeakPolarHBondContact O-CD 3.48Å; I175-R455 VanDerWaalsContact CG1-CZ 3.43Å; R451-R455 WeakPolarHBondContact O-CG 3.47Å; R451-R455 PolarHBondContact O-N 3.39Å; E452-R455 PolarHBondContact O-N 3.1Å; R455-L458 PolarHBondContact O-N 2.85Å; R455-L459 PolarHBondContact O-N 3.35Å
456R90.9Very high84Confident120 Ų12063.7 Ų63.745%0.45329%0.29SS..Hα-helixtrans-62.9-44.2171.7-77.6-170.9-92137.7-8.2112.2Y195 E452 Q453 S460Y195-R456 VanDerWaalsContact OH-CG 3.31Å; Y195-R456 WeakPolarHBondContact OH-CG 3.43Å; E452-R456 WeakPolarHBondContact O-CB 3.37Å; E452-R456 WeakPolarHBondContact O-CG 3.05Å; E452-R456 PolarHBondContact O-N 2.98Å; E452-R456 IonicContact OE1-CZ 3.49Å; E452-R456 VanDerWaalsContact OE1-CZ 3.27Å; E452-R456 IonicContact OE1-NE 3.83Å; E452-R456 PolarHBondContact OE1-NE 2.82Å; E452-R456 IonicContact OE1-NH2 3.61Å; E452-R456 PolarHBondContact OE1-NH2 3.23Å; E452-R456 IonicContact OE2-NH2 2.72Å; Q453-R456 PolarHBondContact O-N 3.15Å; R456-S460 PolarHBondContact O-N 3.08Å; R456-S460 VanDerWaalsContact O-N 3.12Å
457L92.7Very high85.4Confident28 Ų2861.6 Ų61.615%0.14728%0.283CS..Hα-helixtrans-63.9-43.5174.1-71.3171.9000111.2V437 Y441 L444 Q453 T454 L459 S460 E461V437-L457 HydrophobicContact CG1-CB 4.27Å; V437-L457 HydrophobicContact CG2-CB 4.16Å; Y441-L457 HydrophobicContact CD2-CD1 3.97Å; Y441-L457 HydrophobicContact CE2-CD1 3.92Å; Y441-L457 HydrophobicContact CE2-CD2 3.88Å; Y441-L457 HydrophobicContact CE2-CG 4.49Å; L444-L457 HydrophobicContact CD2-CD1 4.31Å; Q453-L457 HydrophobicContact CG-CD1 4.13Å; Q453-L457 WeakPolarHBondContact O-CB 3.31Å; Q453-L457 VanDerWaalsContact O-CG 3.26Å; Q453-L457 WeakPolarHBondContact O-CG 3.4Å; Q453-L457 PolarHBondContact O-N 3.37Å; T454-L457 PolarHBondContact O-N 3.1Å; L457-L459 PolarHBondContact O-N 2.86Å; L457-S460 WeakPolarHBondContact O-CB 3.22Å; L457-S460 PolarHBondContact O-N 3.23Å; L457-S460 VanDerWaalsContact O-N 3.1Å; L457-S460 PolarHBondContact O-OG 2.83Å; L457-E461 PolarHBondContact O-N 2.95Å
458L93.8Very high86.7Confident1 Ų160.9 Ų60.91%0.00528%0.28CS..Hα-helixtrans-58.6-47.7177.6178.962.4000111.6T152 A153 P176 A433 L434 T454 R455 S460 E461 L462T152-L458 HydrophobicContact CG2-CD2 3.69Å; A153-L458 HydrophobicContact CB-CD2 4.06Å; P176-L458 HydrophobicContact CG-CD2 4.23Å; P176-L458 HydrophobicContact CG-CG 4.38Å; A433-L458 HydrophobicContact CB-CD1 3.58Å; L434-L458 HydrophobicContact CD2-CD1 3.84Å; L434-L458 HydrophobicContact CD2-CD2 4.2Å; L434-L458 HydrophobicContact CG-CD1 3.87Å; T454-L458 WeakPolarHBondContact O-CB 3.2Å; T454-L458 PolarHBondContact O-N 2.97Å; R455-L458 PolarHBondContact O-N 2.85Å; L458-S460 VanDerWaalsContact C-N 3.28Å; L458-S460 PolarHBondContact O-N 2.82Å; L458-E461 PolarHBondContact O-N 3.26Å; L458-L462 HydrophobicContact CD1-CD1 4.36Å; L458-L462 HydrophobicContact CD1-CG 4.28Å; L458-L462 HydrophobicContact CG-CD1 4.01Å; L458-L462 HydrophobicContact CG-CG 4.39Å; L458-L462 WeakPolarHBondContact O-CB 3.35Å; L458-L462 VanDerWaalsContact O-CG 3.31Å; L458-L462 WeakPolarHBondContact O-CG 3.34Å; L458-L462 PolarHBondContact O-N 3.35Å
459L95Very high88.3Confident13 Ų1356.3 Ų56.37%0.06826%0.259CS..Hα-helixtrans-57.4-44.6174.3-178.765.5000111P176 Y195 M197 R455 L457 E461 L462 Q463P176-L459 HydrophobicContact CB-CD1 4.49Å; P176-L459 HydrophobicContact CG-CB 4.18Å; Y195-L459 HydrophobicContact CD1-CB 4.35Å; Y195-L459 HydrophobicContact CD1-CD1 4.47Å; Y195-L459 HydrophobicContact CD1-CD2 3.65Å; Y195-L459 HydrophobicContact CD1-CG 4.37Å; Y195-L459 HydrophobicContact CE1-CB 4.25Å; Y195-L459 HydrophobicContact CE1-CD2 3.67Å; Y195-L459 HydrophobicContact CG-CD2 4.12Å; M197-L459 HydrophobicContact SD-CD1 4.05Å; R455-L459 PolarHBondContact O-N 3.35Å; L457-L459 PolarHBondContact O-N 2.86Å; L459-E461 VanDerWaalsContact C-N 3.28Å; L459-E461 PolarHBondContact O-N 3.28Å; L459-L462 PolarHBondContact O-N 2.87Å; L459-Q463 HydrophobicContact CD1-CG 4.43Å; L459-Q463 VanDerWaalsContact O-CG 3.27Å; L459-Q463 WeakPolarHBondContact O-CG 3.37Å; L459-Q463 PolarHBondContact O-N 3.32Å
460S94.5Very high89.7Confident33 Ų3346.8 Ų46.823%0.23122%0.218CC..Hα-helixtrans-64.8-31.4-178.380.90000113.6R456 L457 L458 K464R456-S460 PolarHBondContact O-N 3.08Å; R456-S460 VanDerWaalsContact O-N 3.12Å; L457-S460 WeakPolarHBondContact O-CB 3.22Å; L457-S460 PolarHBondContact O-N 3.23Å; L457-S460 VanDerWaalsContact O-N 3.1Å; L457-S460 PolarHBondContact O-OG 2.83Å; L458-S460 VanDerWaalsContact C-N 3.28Å; L458-S460 PolarHBondContact O-N 2.82Å; S460-K464 WeakPolarHBondContact O-CE 3.15Å
461E95.1Very high90.6Very high26 Ų2646.8 Ų46.812%0.12122%0.22CC..Hα-helixtrans-82-38.3175-68.2-50.2117.200111.8A433 Q436 V437 L457 L458 L459 Q463 K464 C465A433-E461 HydrophobicContact CB-CB 4.06Å; Q436-E461 HydrophobicContact CB-CG 4.49Å; Q436-E461 HydrophobicContact CG-CG 4.21Å; Q436-E461 WeakPolarHBondContact CG-OE2 3.5Å; V437-E461 HydrophobicContact CG2-CB 4.15Å; V437-E461 HydrophobicContact CG2-CG 3.68Å; L457-E461 PolarHBondContact O-N 2.95Å; L458-E461 PolarHBondContact O-N 3.26Å; L459-E461 VanDerWaalsContact C-N 3.28Å; L459-E461 PolarHBondContact O-N 3.28Å; E461-Q463 VanDerWaalsContact C-N 3.28Å; E461-Q463 PolarHBondContact O-N 3.17Å; E461-K464 CarbonylContact O-C 3.52Å; E461-K464 PolarHBondContact O-N 3.25Å; E461-K464 VanDerWaalsContact O-N 3.08Å; E461-K464 IonicContact OE1-NZ 3.77Å; E461-C465 WeakPolarHBondContact O-CB 3.31Å; E461-C465 PolarHBondContact O-N 3.29Å
462L96.1Very high91.2Very high0 Ų050.7 Ų50.70%024%0.243CC..Hα-helixtrans-56-43.1171.9-79.6170.9000111.7P176 I178 M197 A429 I430 A433 L458 L459 K464 C465 F477P176-L462 HydrophobicContact CB-CD1 3.85Å; P176-L462 HydrophobicContact CG-CD1 4.37Å; I178-L462 HydrophobicContact CD1-CD1 4.23Å; I178-L462 HydrophobicContact CD1-CD2 3.84Å; M197-L462 HydrophobicContact CE-CB 3.93Å; M197-L462 HydrophobicContact SD-CB 3.66Å; M197-L462 HydrophobicContact SD-CD1 4.19Å; M197-L462 HydrophobicContact SD-CG 4.47Å; A429-L462 HydrophobicContact CB-CD2 3.93Å; A429-L462 WeakPolarHBondContact O-CD2 3.43Å; I430-L462 HydrophobicContact CG1-CD2 4.45Å; A433-L462 HydrophobicContact CB-CB 4.44Å; A433-L462 HydrophobicContact CB-CD2 3.68Å; A433-L462 HydrophobicContact CB-CG 3.68Å; L458-L462 HydrophobicContact CD1-CD1 4.36Å; L458-L462 HydrophobicContact CD1-CG 4.28Å; L458-L462 HydrophobicContact CG-CD1 4.01Å; L458-L462 HydrophobicContact CG-CG 4.39Å; L458-L462 WeakPolarHBondContact O-CB 3.35Å; L458-L462 VanDerWaalsContact O-CG 3.31Å; L458-L462 WeakPolarHBondContact O-CG 3.34Å; L458-L462 PolarHBondContact O-N 3.35Å; L459-L462 PolarHBondContact O-N 2.87Å; L462-K464 PolarHBondContact O-N 2.84Å; L462-K464 VanDerWaalsContact O-N 3.16Å; L462-C465 PolarHBondContact O-N 3.18Å; L462-C465 PolarHBondContact O-SG 3.36Å; L462-F477 WeakPolarHBondContact O-CD2 3.27Å
463Q94.2Very high91.6Very high55 Ų5548.5 Ų48.526%0.25723%0.233SC..THydrogen-bonded Turntrans-63.7-18.3178.6-75.3179-7.300114.4M197 L459 E461 K480M197-Q463 HydrophobicContact CE-CG 4.49Å; L459-Q463 HydrophobicContact CD1-CG 4.43Å; L459-Q463 VanDerWaalsContact O-CG 3.27Å; L459-Q463 WeakPolarHBondContact O-CG 3.37Å; L459-Q463 PolarHBondContact O-N 3.32Å; E461-Q463 VanDerWaalsContact C-N 3.28Å; E461-Q463 PolarHBondContact O-N 3.17Å; Q463-K480 HydrophobicContact CB-CB 4Å; Q463-K480 HydrophobicContact CG-CB 4.09Å
464K93.3Very high92Very high144 Ų14447.4 Ų47.463%0.62624%0.237SC*.THydrogen-bonded Turntrans-114.8-3.7-179.5-57.3172.1-157.4149.10112.7S460 E461 L462S460-K464 WeakPolarHBondContact O-CE 3.15Å; E461-K464 CarbonylContact O-C 3.52Å; E461-K464 PolarHBondContact O-N 3.25Å; E461-K464 VanDerWaalsContact O-N 3.08Å; E461-K464 IonicContact OE1-NZ 3.77Å; L462-K464 PolarHBondContact O-N 2.84Å; L462-K464 VanDerWaalsContact O-N 3.16Å
465C90.8Very high92.4Very high16 Ų1648.2 Ų48.211%0.10824%0.241CC..  trans-68.8137-17073.70000111.2E461 L462 F467 S476E461-C465 WeakPolarHBondContact O-CB 3.31Å; E461-C465 PolarHBondContact O-N 3.29Å; L462-C465 PolarHBondContact O-N 3.18Å; L462-C465 PolarHBondContact O-SG 3.36Å; C465-F467 HydrophobicContact CB-CD1 4.4Å; C465-S476 WeakPolarHBondContact O-CB 3.29Å
466Q94.6Very high92.6Very high143 Ų14348.8 Ų48.867%0.66825%0.248SC*.EExtended strand (participates in β ladder)trans-132128.8167.3-178.3178.15.200107S474 F475Q466-S474 PolarHBondContact NE2-OG 3.44Å; Q466-F475 WeakPolarHBondContact CA-O 3.26Å
467F94.6Very high92.8Very high12 Ų1243.7 Ų43.75%0.05323%0.229CC..EExtended strand (participates in β ladder)trans-151.4166-17460.1-87.8000111.8N425 A429 N432 C465 G469 F475N425-F467 WeakPolarHBondContact O-CZ 3.41Å; A429-F467 VanDerWaalsContact CA-CE1 3.46Å; A429-F467 HydrophobicContact CB-CE1 3.59Å; A429-F467 HydrophobicContact CB-CZ 3.64Å; N432-F467 HydrophobicContact CB-CB 4.17Å; N432-F467 HydrophobicContact CB-CD1 4.41Å; N432-F467 HydrophobicContact CB-CG 4.36Å; N432-F467 VanDerWaalsContact CG-CB 3.47Å; N432-F467 VanDerWaalsContact ND2-CB 3.27Å; N432-F467 WeakPolarHBondContact ND2-CB 3.45Å; N432-F467 WeakPolarHBondContact ND2-CG 3.31Å; C465-F467 HydrophobicContact CB-CD1 4.4Å; F467-G469 PolarHBondContact O-N 3.31Å; F467-F475 HydrophobicContact CD2-CB 4.5Å; F467-F475 HydrophobicContact CE1-CB 4.43Å; F467-F475 AromaticContact CE1-CD1 3.56Å; F467-F475 HydrophobicContact CE1-CD1 3.56Å; F467-F475 HydrophobicContact CE1-CE1 4.34Å; F467-F475 HydrophobicContact CE1-CG 4.42Å; F467-F475 HydrophobicContact CE2-CB 4Å; F467-F475 HydrophobicContact CE2-CD1 4.21Å; F467-F475 HydrophobicContact CE2-CG 4.38Å; F467-F475 HydrophobicContact CZ-CB 3.96Å; F467-F475 AromaticContact CZ-CD1 3.33Å; F467-F475 HydrophobicContact CZ-CD1 3.33Å; F467-F475 HydrophobicContact CZ-CE1 4.15Å; F467-F475 AromaticContact CZ-CG 3.92Å; F467-F475 HydrophobicContact CZ-CG 3.92Å; F467-F475 PolarHBondContact N-O 2.84Å; F467-F475 PolarHBondContact O-N 2.96Å
468E92.4Very high92.8Very high102 Ų10245.2 Ų45.248%0.47724%0.235SC..EExtended strand (participates in β ladder)trans-78.8108.6168.7-174.9177.4-169.700109.1N472E468-N472 HydrophobicContact CG-CB 4.19Å; E468-N472 VanDerWaalsContact OE1-CA 3.31Å; E468-N472 WeakPolarHBondContact OE1-CA 3.16Å; E468-N472 WeakPolarHBondContact OE1-CB 3.39Å; E468-N472 PolarHBondContact OE1-OD1 2.68Å
469G91.3Very high92.5Very high4 Ų450.1 Ų50.14%0.04126%0.261CS..  trans-84.2-158.8-17800000113.5N425 F467 G471 N472 E473N425-G469 WeakPolarHBondContact OD1-CA 3.27Å; F467-G469 PolarHBondContact O-N 3.31Å; G469-G471 PolarHBondContact O-N 3.34Å; G469-N472 PolarHBondContact O-N 2.78Å; G469-E473 WeakPolarHBondContact CA-O 3.45Å; G469-E473 PolarHBondContact N-O 2.79Å
470F91.2Very high92.2Very high9 Ų955.2 Ų55.24%0.03928%0.283CS..G310 helixtrans-52.8134.3173.3-172.5-90.5000110.6P353 M358 Y361 V420 P421 V424 N425 N472 E473P353-F470 HydrophobicContact CG-CD1 4.44Å; M358-F470 HydrophobicContact CE-CE1 3.78Å; M358-F470 HydrophobicContact CE-CZ 3.76Å; M358-F470 HydrophobicContact CG-CE1 4.25Å; M358-F470 HydrophobicContact CG-CZ 4.47Å; M358-F470 HydrophobicContact SD-CE1 3.73Å; M358-F470 HydrophobicContact SD-CZ 3.45Å; M358-F470 WeakPolarHBondContact SD-CZ 3.49Å; Y361-F470 HydrophobicContact CD2-CE2 4.27Å; Y361-F470 HydrophobicContact CG-CE2 4.12Å; Y361-F470 HydrophobicContact CG-CZ 4.3Å; V420-F470 HydrophobicContact CG1-CE2 4.39Å; P421-F470 HydrophobicContact CB-CB 4.01Å; P421-F470 HydrophobicContact CB-CD1 3.8Å; P421-F470 HydrophobicContact CB-CD2 4.46Å; P421-F470 HydrophobicContact CB-CE1 4.43Å; P421-F470 HydrophobicContact CB-CG 3.82Å; P421-F470 HydrophobicContact CG-CD1 3.86Å; P421-F470 HydrophobicContact CG-CE1 4.01Å; P421-F470 HydrophobicContact CG-CG 4.26Å; V424-F470 HydrophobicContact CB-CD2 3.86Å; V424-F470 HydrophobicContact CG1-CB 4.42Å; V424-F470 HydrophobicContact CG1-CD2 3.91Å; V424-F470 HydrophobicContact CG2-CD2 3.92Å; V424-F470 HydrophobicContact CG2-CE2 4.3Å; N425-F470 PolarHBondContact OD1-N 2.98Å; F470-N472 VanDerWaalsContact C-N 3.26Å; F470-N472 PolarHBondContact O-N 3.31Å; F470-E473 PolarHBondContact O-N 3.27Å
471G87.5Confident92.1Very high15 Ų1555.4 Ų55.416%0.15528%0.279CS..G310 helixtrans71.617.6174.700000115.7N357 G469 E473N357-G471 VanDerWaalsContact CG-O 3.29Å; N357-G471 PolarHBondContact ND2-O 3.32Å; N357-G471 PolarHBondContact OD1-O 3.18Å; G469-G471 PolarHBondContact O-N 3.34Å; G471-E473 PolarHBondContact O-N 3.45Å
472N87.4Confident92.1Very high111 Ų11154.7 Ų54.759%0.59428%0.275SS*.G310 helixtrans65.220.7-176.2-60.10000114E468 G469 F470E468-N472 HydrophobicContact CG-CB 4.19Å; E468-N472 VanDerWaalsContact OE1-CA 3.31Å; E468-N472 WeakPolarHBondContact OE1-CA 3.16Å; E468-N472 WeakPolarHBondContact OE1-CB 3.39Å; E468-N472 PolarHBondContact OE1-OD1 2.68Å; G469-N472 PolarHBondContact O-N 2.78Å; F470-N472 VanDerWaalsContact C-N 3.26Å; F470-N472 PolarHBondContact O-N 3.31Å
473E89Confident91.9Very high58 Ų5854.7 Ų54.727%0.27128%0.275SS..  trans-86.4141.2176.2-67.7178.3-172.300111.1H351 N357 G469 F470 G471 F475H351-E473 IonicContact CD2-OE2 3.26Å; H351-E473 IonicContact NE2-OE2 3.65Å; N357-E473 PolarHBondContact ND2-OE1 3.45Å; G469-E473 WeakPolarHBondContact CA-O 3.45Å; G469-E473 PolarHBondContact N-O 2.79Å; F470-E473 PolarHBondContact O-N 3.27Å; G471-E473 PolarHBondContact O-N 3.45Å; E473-F475 PolarHBondContact O-N 2.63Å
474S91.2Very high91.9Very high84 Ų8454.3 Ų54.359%0.58727%0.274SS*.EExtended strand (participates in β ladder)trans-67.5124.3174.4162.50000110.7Q466Q466-S474 PolarHBondContact NE2-OG 3.44Å
475F94Very high91.8Very high16 Ų1647.5 Ų47.57%0.0724%0.244CC..EExtended strand (participates in β ladder)trans-117.2141.8174.2-173.3-84.7000111.4T199 N425 Q466 F467 E473 F477T199-F475 HydrophobicContact CG2-CE1 4.26Å; T199-F475 HydrophobicContact CG2-CE2 4.36Å; T199-F475 HydrophobicContact CG2-CZ 3.75Å; N425-F475 HydrophobicContact CB-CD2 4.3Å; N425-F475 HydrophobicContact CB-CE2 4.43Å; N425-F475 HydrophobicContact CB-CG 4.48Å; Q466-F475 WeakPolarHBondContact CA-O 3.26Å; F467-F475 HydrophobicContact CD2-CB 4.5Å; F467-F475 HydrophobicContact CE1-CB 4.43Å; F467-F475 AromaticContact CE1-CD1 3.56Å; F467-F475 HydrophobicContact CE1-CD1 3.56Å; F467-F475 HydrophobicContact CE1-CE1 4.34Å; F467-F475 HydrophobicContact CE1-CG 4.42Å; F467-F475 HydrophobicContact CE2-CB 4Å; F467-F475 HydrophobicContact CE2-CD1 4.21Å; F467-F475 HydrophobicContact CE2-CG 4.38Å; F467-F475 HydrophobicContact CZ-CB 3.96Å; F467-F475 AromaticContact CZ-CD1 3.33Å; F467-F475 HydrophobicContact CZ-CD1 3.33Å; F467-F475 HydrophobicContact CZ-CE1 4.15Å; F467-F475 AromaticContact CZ-CG 3.92Å; F467-F475 HydrophobicContact CZ-CG 3.92Å; F467-F475 PolarHBondContact N-O 2.84Å; F467-F475 PolarHBondContact O-N 2.96Å; E473-F475 PolarHBondContact O-N 2.63Å; F475-F477 HydrophobicContact CE1-CD1 4.12Å; F475-F477 HydrophobicContact CE1-CD2 4.25Å; F475-F477 AromaticContact CE1-CE1 3.91Å; F475-F477 HydrophobicContact CE1-CE1 3.91Å; F475-F477 HydrophobicContact CE1-CE2 4.06Å; F475-F477 HydrophobicContact CE1-CG 4.28Å; F475-F477 AromaticContact CE1-CZ 3.89Å; F475-F477 HydrophobicContact CE1-CZ 3.89Å; F475-F477 HydrophobicContact CZ-CD1 4.29Å; F475-F477 HydrophobicContact CZ-CE1 4.12Å; F475-F477 HydrophobicContact CZ-CZ 4.49Å
476S94.4Very high92Very high34 Ų3448.6 Ų48.624%0.23825%0.249CC..EExtended strand (participates in β ladder)trans-153.1159.6167.760.40000109.4C465 Q484C465-S476 WeakPolarHBondContact O-CB 3.29Å; S476-Q484 WeakPolarHBondContact O-CG 3.47Å; S476-Q484 PolarHBondContact O-NE2 2.94Å; S476-Q484 PolarHBondContact OG-NE2 2Å
477F95Very high92Very high14 Ų1441.8 Ų41.86%0.06122%0.217CC..  trans-83.1127.7175.6-65.1-82.2000111.3I178 M197 R198 T199 A429 L462 F475 N482I178-F477 HydrophobicContact CD1-CZ 4.14Å; I178-F477 HydrophobicContact CG2-CE1 4.25Å; I178-F477 HydrophobicContact CG2-CZ 4.17Å; M197-F477 HydrophobicContact CB-CE1 4.28Å; M197-F477 HydrophobicContact CE-CB 4.11Å; M197-F477 HydrophobicContact CE-CD1 3.87Å; M197-F477 HydrophobicContact CE-CD2 3.29Å; M197-F477 HydrophobicContact CE-CE1 4.08Å; M197-F477 HydrophobicContact CE-CE2 3.52Å; M197-F477 HydrophobicContact CE-CG 3.47Å; M197-F477 VanDerWaalsContact CE-CG 3.47Å; M197-F477 HydrophobicContact CE-CZ 3.92Å; R198-F477 WeakPolarHBondContact O-CD1 3.38Å; R198-F477 WeakPolarHBondContact O-CE1 3.46Å; T199-F477 HydrophobicContact CG2-CE1 4.17Å; T199-F477 HydrophobicContact CG2-CZ 4.39Å; A429-F477 HydrophobicContact CB-CE2 3.84Å; A429-F477 HydrophobicContact CB-CZ 3.92Å; L462-F477 WeakPolarHBondContact O-CD2 3.27Å; F475-F477 HydrophobicContact CE1-CD1 4.12Å; F475-F477 HydrophobicContact CE1-CD2 4.25Å; F475-F477 AromaticContact CE1-CE1 3.91Å; F475-F477 HydrophobicContact CE1-CE1 3.91Å; F475-F477 HydrophobicContact CE1-CE2 4.06Å; F475-F477 HydrophobicContact CE1-CG 4.28Å; F475-F477 AromaticContact CE1-CZ 3.89Å; F475-F477 HydrophobicContact CE1-CZ 3.89Å; F475-F477 HydrophobicContact CZ-CD1 4.29Å; F475-F477 HydrophobicContact CZ-CE1 4.12Å; F475-F477 HydrophobicContact CZ-CZ 4.49Å; F477-N482 CarbonylContact C-O 3.51Å; F477-N482 VanDerWaalsContact CA-O 3.31Å; F477-N482 WeakPolarHBondContact CA-O 3.25Å
478F92.5Very high92Very high59 Ų5941.3 Ų41.326%0.25922%0.215SC..BIsolated β-bridgetrans-72.5136.3171-173.1-93.2000110.6M205 K480 R481 N482 P485 T508M205-F478 HydrophobicContact CE-CD1 3.34Å; M205-F478 HydrophobicContact CE-CE1 3.71Å; M205-F478 HydrophobicContact CE-CG 4.29Å; F478-K480 PolarHBondContact O-N 3.32Å; F478-R481 PolarHBondContact O-N 3.35Å; F478-R481 VanDerWaalsContact O-N 3.12Å; F478-N482 PolarHBondContact N-O 2.93Å; F478-N482 PolarHBondContact O-N 2.85Å; F478-P485 HydrophobicContact CD2-CG 3.8Å; F478-P485 HydrophobicContact CE2-CG 3.9Å; F478-P485 HydrophobicContact CG-CG 4.17Å; F478-P485 HydrophobicContact CZ-CG 4.32Å; F478-T508 HydrophobicContact CD2-CG2 4.28Å; F478-T508 HydrophobicContact CE2-CG2 3.73Å
479D88.9Confident92.1Very high105 Ų10536.5 Ų36.556%0.56119%0.192SC*.THydrogen-bonded Turntrans4440-173.3-164.828.6000113.1R481D479-R481 PolarHBondContact O-N 3.38Å
480K88.8Confident92.1Very high120 Ų12036.3 Ų36.352%0.52219%0.19SC..THydrogen-bonded Turntrans63.91.7178.1-50.4175.3-177.5173.60116.3M197 Q463 F478M197-K480 WeakPolarHBondContact CE-O 3.27Å; Q463-K480 HydrophobicContact CB-CB 4Å; Q463-K480 HydrophobicContact CG-CB 4.09Å; F478-K480 PolarHBondContact O-N 3.32Å
481R91.8Very high92Very high37 Ų3736.1 Ų36.114%0.1419%0.19CC..THydrogen-bonded Turntrans-142.1-32.4-175.9-64.7-167.2-61.7-77.6-4.2115.4D188 M197 R198 F478 D479D188-R481 PolarHBondContact O-NH2 3.36Å; M197-R481 CarbonylContact C-O 3.52Å; M197-R481 WeakPolarHBondContact CA-O 3.39Å; R198-R481 PolarHBondContact N-O 3.01Å; F478-R481 PolarHBondContact O-N 3.35Å; F478-R481 VanDerWaalsContact O-N 3.12Å; D479-R481 PolarHBondContact O-N 3.38Å
482N94.7Very high91.8Very high10 Ų1036.5 Ų36.55%0.05319%0.188CC..BIsolated β-bridgetrans-96158.7-171.2-76.1-42.2000111.9D188 R198 M205 F477 F478D188-N482 PolarHBondContact OD1-ND2 3Å; D188-N482 PolarHBondContact OD1-OD1 2.56Å; R198-N482 VanDerWaalsContact CZ-OD1 3.31Å; R198-N482 PolarHBondContact NE-OD1 2.01Å; R198-N482 PolarHBondContact NH2-OD1 3.31Å; R198-N482 VanDerWaalsContact NH2-OD1 3.09Å; R198-N482 CarbonylContact O-C 3.53Å; R198-N482 VanDerWaalsContact O-C 3.31Å; M205-N482 HydrophobicContact CE-CB 3.83Å; M205-N482 HydrophobicContact SD-CB 4.45Å; F477-N482 CarbonylContact C-O 3.51Å; F477-N482 VanDerWaalsContact CA-O 3.31Å; F477-N482 WeakPolarHBondContact CA-O 3.25Å; F478-N482 PolarHBondContact N-O 2.93Å; F478-N482 PolarHBondContact O-N 2.85Å
483G93.1Very high91.5Very high0 Ų032.2 Ų32.20%017%0.166CC..PPolyproline II helixtrans-61.4158.6165.200000111.5R198 T199 V200R198-G483 PolarHBondContact O-N 3.15Å; T199-G483 WeakPolarHBondContact O-CA 3.13Å; V200-G483 PolarHBondContact O-N 2.79Å
484Q93.2Very high90.8Very high48 Ų4830.3 Ų30.322%0.22416%0.158CC..PPolyproline II helixtrans-58.4138.6177.5-70.3-63.9-37.900111.4S476 N486S476-Q484 WeakPolarHBondContact O-CG 3.47Å; S476-Q484 PolarHBondContact O-NE2 2.94Å; S476-Q484 PolarHBondContact OG-NE2 2Å; Q484-N486 PolarHBondContact O-N 2.77Å
485P92.5Very high90.1Very high0 Ų033 Ų330%017%0.166CC..  trans-78.945.5179.736-38000111.7M205 F478 F487 E507 T508M205-P485 HydrophobicContact CG-CB 4.35Å; M205-P485 HydrophobicContact SD-CB 4.13Å; F478-P485 HydrophobicContact CD2-CG 3.8Å; F478-P485 HydrophobicContact CE2-CG 3.9Å; F478-P485 HydrophobicContact CG-CG 4.17Å; F478-P485 HydrophobicContact CZ-CG 4.32Å; P485-F487 HydrophobicContact CB-CE2 4.4Å; P485-F487 WeakPolarHBondContact O-CD2 3.3Å; P485-E507 HydrophobicContact CB-CB 3.74Å; P485-E507 HydrophobicContact CG-CB 3.79Å; P485-E507 PolarHBondContact O-N 3.48Å; P485-T508 HydrophobicContact CG-CG2 4.23Å
486N93.5Very high89.1Confident39 Ų3935 Ų3521%0.20918%0.18CC..EExtended strand (participates in β ladder)trans-101.6129.2177.8-64.4-5.4000108.5H351 Q484 Y505 D506H351-N486 HydrophobicContact CB-CB 3.86Å; H351-N486 PolarHBondContact N-O 2.8Å; Q484-N486 PolarHBondContact O-N 2.77Å; N486-Y505 CarbonylContact C-O 3.48Å; N486-Y505 VanDerWaalsContact CA-O 3.3Å; N486-Y505 WeakPolarHBondContact CA-O 3.45Å; N486-D506 PolarHBondContact OD1-OD1 2.8Å
487F95.3Very high88.1Confident1 Ų138.2 Ų38.20%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-134.1138-174.6-66-99.1000111.2P201 M205 T206 V209 V348 L349 P350 P485 E504 Y505P201-F487 HydrophobicContact CB-CE2 4.4Å; P201-F487 HydrophobicContact CB-CZ 3.8Å; P201-F487 HydrophobicContact CG-CE1 3.83Å; P201-F487 HydrophobicContact CG-CE2 4.39Å; P201-F487 HydrophobicContact CG-CZ 3.59Å; M205-F487 HydrophobicContact CB-CE2 4.08Å; M205-F487 HydrophobicContact CB-CZ 3.95Å; T206-F487 HydrophobicContact CG2-CE1 4.16Å; T206-F487 VanDerWaalsContact OG1-CE1 3.31Å; T206-F487 WeakPolarHBondContact OG1-CE1 3.45Å; V209-F487 HydrophobicContact CG2-CB 4.21Å; V209-F487 HydrophobicContact CG2-CD1 4.19Å; V209-F487 HydrophobicContact CG2-CD2 3.46Å; V209-F487 VanDerWaalsContact CG2-CD2 3.46Å; V209-F487 HydrophobicContact CG2-CE1 4.44Å; V209-F487 HydrophobicContact CG2-CE2 3.74Å; V209-F487 HydrophobicContact CG2-CG 3.7Å; V209-F487 HydrophobicContact CG2-CZ 4.23Å; V348-F487 HydrophobicContact CG1-CD1 4.12Å; L349-F487 CarbonylContact O-C 3.52Å; L349-F487 WeakPolarHBondContact O-CA 3.21Å; L349-F487 WeakPolarHBondContact O-CB 3.33Å; L349-F487 WeakPolarHBondContact O-CD1 3.31Å; P350-F487 HydrophobicContact CG-CD1 4.17Å; P350-F487 HydrophobicContact CG-CE1 3.91Å; P485-F487 HydrophobicContact CB-CE2 4.4Å; P485-F487 WeakPolarHBondContact O-CD2 3.3Å; F487-E504 WeakPolarHBondContact O-CA 3.27Å; F487-Y505 HydrophobicContact CD2-CD1 4.02Å; F487-Y505 PolarHBondContact N-O 3.33Å; F487-Y505 PolarHBondContact O-N 3.27Å
488T93.8Very high87.2Confident2 Ų240.5 Ų40.51%0.01220%0.199CC..EExtended strand (participates in β ladder)trans-102.9119.6171.6-59.60000108.5L349 L352 L490 V501 E504L349-T488 PolarHBondContact N-O 3.21Å; L349-T488 VanDerWaalsContact N-O 3.14Å; L349-T488 PolarHBondContact O-N 3.3Å; L349-T488 VanDerWaalsContact O-O 3.07Å; L352-T488 HydrophobicContact CD1-CG2 4.22Å; L352-T488 HydrophobicContact CG-CG2 4.49Å; L352-T488 PolarHBondContact N-OG1 3.48Å; T488-L490 HydrophobicContact CG2-CD2 3.73Å; T488-L490 HydrophobicContact CG2-CG 4.26Å; T488-V501 HydrophobicContact CG2-CG1 4.24Å; T488-V501 HydrophobicContact CG2-CG2 4.13Å; T488-E504 WeakPolarHBondContact CA-OE2 3.47Å; T488-E504 WeakPolarHBondContact CB-OE2 3.49Å; T488-E504 WeakPolarHBondContact CG2-OE1 3.3Å; T488-E504 PolarHBondContact OG1-OE1 3.24Å; T488-E504 PolarHBondContact OG1-OE2 2.87Å
489I94.6Very high86.7Confident0 Ų038.7 Ų38.70%019%0.191CC..EExtended strand (participates in β ladder)trans-99.8113.8-179.2-55.5178.3000107.8V209 L213 I346 L347 L502 A503 F513V209-I489 HydrophobicContact CG1-CD1 3.77Å; V209-I489 HydrophobicContact CG1-CG1 4.34Å; L213-I489 HydrophobicContact CD1-CD1 4.22Å; I346-I489 HydrophobicContact CG2-CG2 3.54Å; L347-I489 WeakPolarHBondContact O-CA 3.37Å; I489-L502 HydrophobicContact CG2-CB 4.32Å; I489-L502 HydrophobicContact CG2-CD2 4.09Å; I489-L502 WeakPolarHBondContact O-CB 3.34Å; I489-L502 PolarHBondContact O-N 2.8Å; I489-A503 HydrophobicContact CB-CB 4.32Å; I489-A503 WeakPolarHBondContact CB-O 3.46Å; I489-A503 HydrophobicContact CD1-CB 4.3Å; I489-A503 PolarHBondContact N-O 3.37Å; I489-A503 PolarHBondContact O-N 3.41Å; I489-F513 HydrophobicContact CD1-CD1 4.37Å; I489-F513 HydrophobicContact CD1-CE1 3.6Å
490L91Very high86.6Confident0 Ų037.5 Ų37.50%018%0.181CC..EExtended strand (participates in β ladder)trans-100.9150-179.8-58.4-179000110.7L325 L327 I346 L347 L349 L352 T488 W499 K500 V501L325-L490 HydrophobicContact CD2-CD1 3.34Å; L327-L490 HydrophobicContact CD2-CD2 3.87Å; I346-L490 CarbonylContact C-O 3.45Å; I346-L490 VanDerWaalsContact CA-O 3.27Å; I346-L490 WeakPolarHBondContact CA-O 3.48Å; L347-L490 HydrophobicContact CB-CB 4.38Å; L347-L490 PolarHBondContact N-O 2.84Å; L347-L490 PolarHBondContact O-N 2.83Å; L349-L490 HydrophobicContact CD1-CD1 4.01Å; L352-L490 HydrophobicContact CD1-CD1 3.83Å; L352-L490 HydrophobicContact CD1-CG 4.46Å; T488-L490 HydrophobicContact CG2-CD2 3.73Å; T488-L490 HydrophobicContact CG2-CG 4.26Å; L490-W499 HydrophobicContact CB-CE3 3.94Å; L490-K500 CarbonylContact C-O 3.52Å; L490-K500 WeakPolarHBondContact CA-O 3.4Å; L490-V501 HydrophobicContact CD2-CB 4.36Å; L490-V501 HydrophobicContact CD2-CG2 3.79Å
491T89.8Confident86.7Confident6 Ų633.2 Ų33.24%0.03716%0.164CC..EExtended strand (participates in β ladder)trans-136.5146.7168.3-169.30000111.1F345 K500 L502 I520 I524F345-T491 VanDerWaalsContact O-CA 3.25Å; F345-T491 WeakPolarHBondContact O-CA 3.36Å; F345-T491 WeakPolarHBondContact O-CB 3.37Å; F345-T491 PolarHBondContact O-OG1 3.44Å; T491-K500 PolarHBondContact N-O 3.24Å; T491-K500 PolarHBondContact O-N 2.82Å; T491-L502 HydrophobicContact CG2-CB 3.94Å; T491-I520 HydrophobicContact CG2-CG2 3.37Å; T491-I524 HydrophobicContact CG2-CD1 4.19Å
492F83.9Confident86.8Confident22 Ų2231.4 Ų31.410%0.09616%0.158CC..EExtended strand (participates in β ladder)trans-82.5120.9177.9-176.2-105.5000110.3F342 F345 P494 F497 W499F342-F492 WeakPolarHBondContact O-CD1 3.42Å; F342-F492 WeakPolarHBondContact O-CE1 3.43Å; F345-F492 HydrophobicContact CB-CB 4.42Å; F345-F492 PolarHBondContact O-N 3.33Å; F492-P494 HydrophobicContact CE1-CB 4.37Å; F492-P494 WeakPolarHBondContact O-CD 3.41Å; F492-F497 HydrophobicContact CZ-CB 4.39Å; F492-F497 HydrophobicContact CZ-CD1 4.12Å; F492-W499 HydrophobicContact CB-CD2 4.41Å; F492-W499 HydrophobicContact CB-CE3 4.14Å; F492-W499 HydrophobicContact CB-CH2 4.14Å; F492-W499 HydrophobicContact CB-CZ2 4.4Å; F492-W499 HydrophobicContact CB-CZ3 4Å; F492-W499 HydrophobicContact CD2-CD2 4.41Å
493V80.9Confident86.8Confident22 Ų2231 Ų3113%0.13316%0.156CC..EExtended strand (participates in β ladder)trans-97.1109.2175.9179.70000109.2N495 T496 F497 K498 K500 I520V493-N495 VanDerWaalsContact C-N 3.33Å; V493-N495 PolarHBondContact O-N 3.28Å; V493-T496 WeakPolarHBondContact CB-OG1 3.48Å; V493-T496 PolarHBondContact O-N 2.91Å; V493-T496 PolarHBondContact O-OG1 2.88Å; V493-F497 PolarHBondContact O-N 2.86Å; V493-K498 PolarHBondContact N-O 3.43Å; V493-K498 PolarHBondContact O-N 2.96Å; V493-K500 HydrophobicContact CG2-CB 4.19Å; V493-K500 HydrophobicContact CG2-CD 3.93Å; V493-K500 HydrophobicContact CG2-CG 4.01Å; V493-I520 HydrophobicContact CG2-CD1 4.39Å
494P74.4Confident86.9Confident18 Ų1832.2 Ų32.212%0.11716%0.161CC..THydrogen-bonded Turntrans-65-34.4-17223-32.6000113F492 T496 F497F492-P494 HydrophobicContact CE1-CB 4.37Å; F492-P494 WeakPolarHBondContact O-CD 3.41Å; P494-T496 VanDerWaalsContact C-N 3.29Å; P494-T496 PolarHBondContact O-N 3.17Å; P494-F497 PolarHBondContact O-N 3.43Å
495N75.7Confident87Confident141 Ų14130 Ų3075%0.75415%0.151SC*.THydrogen-bonded Turntrans-64.9-32.7-179.2-68.1-8000113.1V493V493-N495 VanDerWaalsContact C-N 3.33Å; V493-N495 PolarHBondContact O-N 3.28Å
496T73.7Confident87.1Confident57 Ų5730.3 Ų30.335%0.3515%0.153SC..THydrogen-bonded Turntrans-101.6-5.2179.755.30000112.7V493 P494 K498V493-T496 WeakPolarHBondContact CB-OG1 3.48Å; V493-T496 PolarHBondContact O-N 2.91Å; V493-T496 PolarHBondContact O-OG1 2.88Å; P494-T496 VanDerWaalsContact C-N 3.29Å; P494-T496 PolarHBondContact O-N 3.17Å; T496-K498 WeakPolarHBondContact O-CG 3.33Å; T496-K498 PolarHBondContact O-N 2.71Å
497F73.1Confident86.9Confident101 Ų10131.1 Ų31.144%0.44316%0.155SC..THydrogen-bonded Turntrans47.140.6-171.5-60.2-80.7000113.1A336 H340 F492 V493 P494A336-F497 HydrophobicContact CB-CB 4.32Å; H340-F497 AromaticContact CE1-CE1 3.82Å; H340-F497 AromaticContact ND1-CE1 3.54Å; F492-F497 HydrophobicContact CZ-CB 4.39Å; F492-F497 HydrophobicContact CZ-CD1 4.12Å; V493-F497 PolarHBondContact O-N 2.86Å; P494-F497 PolarHBondContact O-N 3.43Å
498K75.9Confident86.6Confident62 Ų6235.3 Ų35.327%0.2718%0.181SC..EExtended strand (participates in β ladder)trans-135144.4-173.3-78.3173.4-179.9177.80111.5E329 V493 T496E329-K498 VanDerWaalsContact C-NZ 3.31Å; E329-K498 PolarHBondContact O-NZ 2.84Å; V493-K498 PolarHBondContact N-O 3.43Å; V493-K498 PolarHBondContact O-N 2.96Å; T496-K498 WeakPolarHBondContact O-CG 3.33Å; T496-K498 PolarHBondContact O-N 2.71Å
499W82.9Confident86.5Confident22 Ų2241.1 Ų41.18%0.08320%0.203CC..EExtended strand (participates in β ladder)trans-71.6131.4165.8-68.6100.5000109.5F322 L325 F345 L347 L490 F492F322-W499 HydrophobicContact CB-CZ2 4.23Å; F322-W499 AromaticContact CD1-CZ2 3.79Å; F322-W499 HydrophobicContact CD1-CZ2 3.79Å; F322-W499 HydrophobicContact CD2-CH2 4.36Å; F322-W499 HydrophobicContact CD2-CZ2 4.05Å; F322-W499 HydrophobicContact CE1-CZ2 4.1Å; F322-W499 HydrophobicContact CE2-CH2 4.35Å; F322-W499 HydrophobicContact CE2-CZ2 4.32Å; F322-W499 AromaticContact CG-CZ2 3.77Å; F322-W499 HydrophobicContact CG-CZ2 3.77Å; F322-W499 HydrophobicContact CZ-CZ2 4.35Å; L325-W499 HydrophobicContact CD2-CD2 4.27Å; L325-W499 HydrophobicContact CD2-CG 4.28Å; F345-W499 HydrophobicContact CB-CH2 4.11Å; F345-W499 HydrophobicContact CB-CZ3 4.5Å; F345-W499 AromaticContact CD1-CH2 3.94Å; F345-W499 HydrophobicContact CD1-CH2 3.94Å; F345-W499 HydrophobicContact CD1-CZ3 4.49Å; F345-W499 HydrophobicContact CG-CH2 4.2Å; L347-W499 HydrophobicContact CB-CZ3 4.33Å; L347-W499 HydrophobicContact CD1-CD2 4.47Å; L347-W499 HydrophobicContact CD1-CE3 4.08Å; L347-W499 HydrophobicContact CD1-CH2 3.3Å; L347-W499 HydrophobicContact CD1-CZ2 3.74Å; L347-W499 HydrophobicContact CD1-CZ3 3.49Å; L347-W499 VanDerWaalsContact CD1-CZ3 3.49Å; L347-W499 HydrophobicContact CG-CH2 3.7Å; L347-W499 HydrophobicContact CG-CZ3 3.72Å; L490-W499 HydrophobicContact CB-CE3 3.94Å; F492-W499 HydrophobicContact CB-CD2 4.41Å; F492-W499 HydrophobicContact CB-CE3 4.14Å; F492-W499 HydrophobicContact CB-CH2 4.14Å; F492-W499 HydrophobicContact CB-CZ2 4.4Å; F492-W499 HydrophobicContact CB-CZ3 4Å; F492-W499 HydrophobicContact CD2-CD2 4.41Å
500K86.9Confident86.2Confident79 Ų7947.2 Ų47.234%0.34325%0.245SC..EExtended strand (participates in β ladder)trans-127.8147.8175.1-65.2-163.7-176.6-178.90110.3L490 T491 V493 L502 I520L490-K500 CarbonylContact C-O 3.52Å; L490-K500 WeakPolarHBondContact CA-O 3.4Å; T491-K500 PolarHBondContact N-O 3.24Å; T491-K500 PolarHBondContact O-N 2.82Å; V493-K500 HydrophobicContact CG2-CB 4.19Å; V493-K500 HydrophobicContact CG2-CD 3.93Å; V493-K500 HydrophobicContact CG2-CG 4.01Å; K500-L502 PolarHBondContact O-N 3.28Å; K500-L502 VanDerWaalsContact O-N 3.15Å; K500-I520 HydrophobicContact CB-CD1 3.65Å; K500-I520 HydrophobicContact CD-CD1 3.92Å; K500-I520 HydrophobicContact CG-CD1 4.41Å
501V91Very high86.2Confident30 Ų3051.6 Ų51.618%0.18227%0.274CS..EExtended strand (participates in β ladder)trans-66.7112.3172-175.90000108.9L327 T488 L490 E504 Y515L327-V501 HydrophobicContact CD1-CG2 4.35Å; L327-V501 HydrophobicContact CD2-CG2 4.28Å; T488-V501 HydrophobicContact CG2-CG1 4.24Å; T488-V501 HydrophobicContact CG2-CG2 4.13Å; L490-V501 HydrophobicContact CD2-CB 4.36Å; L490-V501 HydrophobicContact CD2-CG2 3.79Å; V501-E504 HydrophobicContact CG1-CG 4.26Å; V501-E504 WeakPolarHBondContact CG1-OE1 3.46Å; V501-Y515 HydrophobicContact CB-CE1 4.45Å; V501-Y515 HydrophobicContact CG1-CD1 4.12Å; V501-Y515 HydrophobicContact CG1-CE1 3.85Å
502L92.5Very high86.4Confident0 Ų055.3 Ų55.30%029%0.287CS..EExtended strand (participates in β ladder)trans-77.6-47.8171.517259.9000110.2I346 I489 T491 K500 I516 N517 I520 I524I346-L502 HydrophobicContact CD1-CD2 4Å; I346-L502 HydrophobicContact CG1-CD2 4.32Å; I489-L502 HydrophobicContact CG2-CB 4.32Å; I489-L502 HydrophobicContact CG2-CD2 4.09Å; I489-L502 WeakPolarHBondContact O-CB 3.34Å; I489-L502 PolarHBondContact O-N 2.8Å; T491-L502 HydrophobicContact CG2-CB 3.94Å; K500-L502 PolarHBondContact O-N 3.28Å; K500-L502 VanDerWaalsContact O-N 3.15Å; L502-I516 WeakPolarHBondContact O-CA 3.41Å; L502-N517 PolarHBondContact O-N 3.22Å; L502-I520 HydrophobicContact CD1-CB 4.2Å; L502-I520 HydrophobicContact CD1-CG2 3.87Å; L502-I524 HydrophobicContact CD1-CD1 3.68Å; L502-I524 HydrophobicContact CD2-CD1 3.59Å; L502-I524 HydrophobicContact CG-CD1 4.24Å
503A94.8Very high86.9Confident2 Ų255.4 Ų55.42%0.01729%0.288CS..EExtended strand (participates in β ladder)trans-157.5158-177.200000111.6I489 F513 Y515 I516I489-A503 HydrophobicContact CB-CB 4.32Å; I489-A503 WeakPolarHBondContact CB-O 3.46Å; I489-A503 HydrophobicContact CD1-CB 4.3Å; I489-A503 PolarHBondContact N-O 3.37Å; I489-A503 PolarHBondContact O-N 3.41Å; A503-F513 HydrophobicContact CB-CD1 4.16Å; A503-Y515 CarbonylContact C-O 3.34Å; A503-Y515 WeakPolarHBondContact CA-O 3.35Å; A503-Y515 VanDerWaalsContact CB-O 3.31Å; A503-Y515 WeakPolarHBondContact CB-O 3.24Å; A503-I516 HydrophobicContact CB-CG1 4.03Å
504E95.4Very high87.5Confident25 Ų2558.8 Ų58.812%0.11730%0.299CS..EExtended strand (participates in β ladder)trans-116.3141.8166.4-58.5-74.8166.400109.4H351 F487 T488 V501 F513 Y514 Y515H351-E504 IonicContact ND1-OE2 2.99Å; F487-E504 WeakPolarHBondContact O-CA 3.27Å; T488-E504 WeakPolarHBondContact CA-OE2 3.47Å; T488-E504 WeakPolarHBondContact CB-OE2 3.49Å; T488-E504 WeakPolarHBondContact CG2-OE1 3.3Å; T488-E504 PolarHBondContact OG1-OE1 3.24Å; T488-E504 PolarHBondContact OG1-OE2 2.87Å; V501-E504 HydrophobicContact CG1-CG 4.26Å; V501-E504 WeakPolarHBondContact CG1-OE1 3.46Å; E504-F513 WeakPolarHBondContact O-CA 3.41Å; E504-Y514 HydrophobicContact CB-CD1 4.15Å; E504-Y514 HydrophobicContact CB-CD2 4.41Å; E504-Y514 HydrophobicContact CB-CE1 3.43Å; E504-Y514 VanDerWaalsContact CB-CE1 3.43Å; E504-Y514 HydrophobicContact CB-CE2 3.74Å; E504-Y514 VanDerWaalsContact CB-OH 3.27Å; E504-Y514 WeakPolarHBondContact CB-OH 3.35Å; E504-Y514 HydrophobicContact CG-CE2 4.26Å; E504-Y514 PolarHBondContact O-N 3.21Å; E504-Y515 HydrophobicContact CG-CD1 3.94Å; E504-Y515 HydrophobicContact CG-CG 4.39Å; E504-Y515 PolarHBondContact N-O 2.61Å
505Y96.3Very high88.4Confident0 Ų063 Ų630%031%0.313CS..EExtended strand (participates in β ladder)trans-127.9139-175.1177.5-76.4000110.4V209 D212 N486 F487 E507 R512 F513V209-Y505 HydrophobicContact CG1-CD2 4.21Å; V209-Y505 HydrophobicContact CG1-CG 4.13Å; V209-Y505 HydrophobicContact CG2-CD1 3.59Å; V209-Y505 HydrophobicContact CG2-CD2 4.41Å; V209-Y505 HydrophobicContact CG2-CE1 3.58Å; V209-Y505 HydrophobicContact CG2-CE2 4.38Å; V209-Y505 HydrophobicContact CG2-CG 4.02Å; D212-Y505 HydrophobicContact CB-CE2 4.19Å; D212-Y505 PolarHBondContact OD2-OH 2.98Å; N486-Y505 CarbonylContact C-O 3.48Å; N486-Y505 VanDerWaalsContact CA-O 3.3Å; N486-Y505 WeakPolarHBondContact CA-O 3.45Å; F487-Y505 HydrophobicContact CD2-CD1 4.02Å; F487-Y505 PolarHBondContact N-O 3.33Å; F487-Y505 PolarHBondContact O-N 3.27Å; Y505-E507 HydrophobicContact CE1-CB 4.01Å; Y505-R512 WeakPolarHBondContact CA-O 3.39Å; Y505-R512 HydrophobicContact CD2-CB 3.99Å; Y505-R512 HydrophobicContact CE2-CB 3.56Å; Y505-R512 HydrophobicContact CE2-CG 4.34Å; Y505-R512 WeakPolarHBondContact OH-CD 3.47Å; Y505-F513 AromaticContact CD2-CD1 3.9Å; Y505-F513 HydrophobicContact CD2-CD1 3.9Å; Y505-F513 HydrophobicContact CD2-CD2 4.38Å; Y505-F513 AromaticContact CD2-CE1 3.69Å; Y505-F513 HydrophobicContact CD2-CE1 3.69Å; Y505-F513 HydrophobicContact CD2-CE2 4.2Å; Y505-F513 HydrophobicContact CD2-CG 4.24Å; Y505-F513 AromaticContact CD2-CZ 3.85Å; Y505-F513 HydrophobicContact CD2-CZ 3.85Å; Y505-F513 HydrophobicContact CE2-CE2 4.47Å; Y505-F513 HydrophobicContact CE2-CZ 4.35Å; Y505-F513 HydrophobicContact CG-CE1 4.46Å
506D94Very high89.3Confident8 Ų857.6 Ų57.64%0.04328%0.284CS..EExtended strand (participates in β ladder)trans-142.3116.3173.9177.2-15000108.2N486 T508 R509 R512 Y514N486-D506 PolarHBondContact OD1-OD1 2.8Å; D506-T508 PolarHBondContact O-N 3.02Å; D506-T508 WeakPolarHBondContact OD1-CB 3.34Å; D506-T508 PolarHBondContact OD1-N 3.42Å; D506-T508 PolarHBondContact OD1-OG1 3.04Å; D506-T508 PolarHBondContact OD2-OG1 3.07Å; D506-R509 HydrophobicContact CB-CB 4.31Å; D506-R509 HydrophobicContact CB-CG 3.99Å; D506-R509 PolarHBondContact O-N 3.14Å; D506-R509 WeakPolarHBondContact OD2-CD 3.38Å; D506-R509 WeakPolarHBondContact OD2-CG 3.39Å; D506-R509 IonicContact OD2-CZ 3.96Å; D506-R509 IonicContact OD2-NE 2.68Å; D506-R509 PolarHBondContact OD2-NE 3.23Å; D506-R509 IonicContact OD2-NH2 3.54Å; D506-R512 PolarHBondContact N-O 2.66Å; D506-R512 WeakPolarHBondContact O-CA 3.01Å; D506-Y514 HydrophobicContact CB-CD1 3.92Å; D506-Y514 HydrophobicContact CB-CE1 3.98Å
507E89.9Confident90.2Very high55 Ų5556.7 Ų56.726%0.25728%0.277SS..THydrogen-bonded Turntrans-63.1-27.9-177.6-169.1-178.3165.500113P485 Y505 R509P485-E507 HydrophobicContact CB-CB 3.74Å; P485-E507 HydrophobicContact CG-CB 3.79Å; P485-E507 PolarHBondContact O-N 3.48Å; Y505-E507 HydrophobicContact CE1-CB 4.01Å; E507-R509 PolarHBondContact O-N 3.45Å
508T88.9Confident91Very high90 Ų9057.5 Ų57.555%0.55228%0.282SS*.THydrogen-bonded Turntrans-76.6-12-178.171.50000112.9F478 P485 D506F478-T508 HydrophobicContact CD2-CG2 4.28Å; F478-T508 HydrophobicContact CE2-CG2 3.73Å; P485-T508 HydrophobicContact CG-CG2 4.23Å; D506-T508 PolarHBondContact O-N 3.02Å; D506-T508 WeakPolarHBondContact OD1-CB 3.34Å; D506-T508 PolarHBondContact OD1-N 3.42Å; D506-T508 PolarHBondContact OD1-OG1 3.04Å; D506-T508 PolarHBondContact OD2-OG1 3.07Å
509R91.1Very high91.6Very high124 Ų12461 Ų6147%0.46830%0.303SS..SBendtrans-97.1155.6-178.5-66.8-177.6-169.2-162.3-6.5112.7D506 E507 P511 R512D506-R509 HydrophobicContact CB-CB 4.31Å; D506-R509 HydrophobicContact CB-CG 3.99Å; D506-R509 PolarHBondContact O-N 3.14Å; D506-R509 WeakPolarHBondContact OD2-CD 3.38Å; D506-R509 WeakPolarHBondContact OD2-CG 3.39Å; D506-R509 IonicContact OD2-CZ 3.96Å; D506-R509 IonicContact OD2-NE 2.68Å; D506-R509 PolarHBondContact OD2-NE 3.23Å; D506-R509 IonicContact OD2-NH2 3.54Å; E507-R509 PolarHBondContact O-N 3.45Å; R509-P511 CarbonylContact C-O 3.58Å; R509-P511 WeakPolarHBondContact CB-O 3.48Å; R509-P511 CarbonylContact O-C 3.43Å; R509-R512 WeakPolarHBondContact O-CG 3.4Å; R509-R512 PolarHBondContact O-N 3.5Å
510S88.9Confident91.8Very high127 Ų12760.6 Ų60.689%0.88830%0.303SS*.SBendtrans-131.5108.4167.6-171.20000108.7
511P90.4Very high91.9Very high93 Ų9357.1 Ų57.160%0.60429%0.288SS*.SBendcis-71.2150.14.931.3-35.9000113.4R509R509-P511 CarbonylContact C-O 3.58Å; R509-P511 WeakPolarHBondContact CB-O 3.48Å; R509-P511 CarbonylContact O-C 3.43Å
512R93.8Very high91.6Very high84 Ų8458 Ų5832%0.31730%0.296SS..SBendtrans-64.1-43.7177.5-66.7173.1172.2-172.3-6.2112.4D212 Y505 D506 R509 Y514D212-R512 IonicContact OD1-NH1 3.69Å; D212-R512 WeakPolarHBondContact OD2-CD 3.14Å; D212-R512 IonicContact OD2-CZ 3.52Å; D212-R512 IonicContact OD2-NE 2.7Å; D212-R512 IonicContact OD2-NH1 3.18Å; D212-R512 PolarHBondContact OD2-NH1 3.17Å; Y505-R512 WeakPolarHBondContact CA-O 3.39Å; Y505-R512 HydrophobicContact CD2-CB 3.99Å; Y505-R512 HydrophobicContact CE2-CB 3.56Å; Y505-R512 HydrophobicContact CE2-CG 4.34Å; Y505-R512 WeakPolarHBondContact OH-CD 3.47Å; D506-R512 PolarHBondContact N-O 2.66Å; D506-R512 WeakPolarHBondContact O-CA 3.01Å; R509-R512 WeakPolarHBondContact O-CG 3.4Å; R509-R512 PolarHBondContact O-N 3.5Å; R512-Y514 PolarHBondContact O-N 3.13Å
513F94.9Very high91.2Very high24 Ų2461.9 Ų61.911%0.10531%0.311CS..EExtended strand (participates in β ladder)trans-78.5103.2167.5-64.2-77.6000109.3D212 L213 K216 I489 A503 E504 Y505 I516D212-F513 HydrophobicContact CB-CE2 3.95Å; D212-F513 HydrophobicContact CB-CZ 4.18Å; L213-F513 HydrophobicContact CB-CZ 4.4Å; L213-F513 HydrophobicContact CD1-CE1 4.47Å; L213-F513 HydrophobicContact CD1-CZ 4.42Å; K216-F513 HydrophobicContact CB-CE2 4.3Å; K216-F513 HydrophobicContact CD-CD2 4.22Å; K216-F513 HydrophobicContact CD-CE2 4.42Å; I489-F513 HydrophobicContact CD1-CD1 4.37Å; I489-F513 HydrophobicContact CD1-CE1 3.6Å; A503-F513 HydrophobicContact CB-CD1 4.16Å; E504-F513 WeakPolarHBondContact O-CA 3.41Å; Y505-F513 AromaticContact CD2-CD1 3.9Å; Y505-F513 HydrophobicContact CD2-CD1 3.9Å; Y505-F513 HydrophobicContact CD2-CD2 4.38Å; Y505-F513 AromaticContact CD2-CE1 3.69Å; Y505-F513 HydrophobicContact CD2-CE1 3.69Å; Y505-F513 HydrophobicContact CD2-CE2 4.2Å; Y505-F513 HydrophobicContact CD2-CG 4.24Å; Y505-F513 AromaticContact CD2-CZ 3.85Å; Y505-F513 HydrophobicContact CD2-CZ 3.85Å; Y505-F513 HydrophobicContact CE2-CE2 4.47Å; Y505-F513 HydrophobicContact CE2-CZ 4.35Å; Y505-F513 HydrophobicContact CG-CE1 4.46Å; F513-I516 HydrophobicContact CB-CD1 3.95Å; F513-I516 HydrophobicContact CB-CG1 4.15Å; F513-I516 HydrophobicContact CG-CD1 4.45Å
514Y92.7Very high90.7Very high93 Ų9362 Ų6237%0.36531%0.312SS..EExtended strand (participates in β ladder)trans-95.7-18.5-177.269.7-92.9000113.2E504 D506 R512E504-Y514 HydrophobicContact CB-CD1 4.15Å; E504-Y514 HydrophobicContact CB-CD2 4.41Å; E504-Y514 HydrophobicContact CB-CE1 3.43Å; E504-Y514 VanDerWaalsContact CB-CE1 3.43Å; E504-Y514 HydrophobicContact CB-CE2 3.74Å; E504-Y514 VanDerWaalsContact CB-OH 3.27Å; E504-Y514 WeakPolarHBondContact CB-OH 3.35Å; E504-Y514 HydrophobicContact CG-CE2 4.26Å; E504-Y514 PolarHBondContact O-N 3.21Å; D506-Y514 HydrophobicContact CB-CD1 3.92Å; D506-Y514 HydrophobicContact CB-CE1 3.98Å; R512-Y514 PolarHBondContact O-N 3.13Å
515Y94.1Very high90Very high106 Ų10666.4 Ų66.442%0.41633%0.332SS..EExtended strand (participates in β ladder)trans-134.1134.9171.6172.5-99000109.5V501 A503 E504V501-Y515 HydrophobicContact CB-CE1 4.45Å; V501-Y515 HydrophobicContact CG1-CD1 4.12Å; V501-Y515 HydrophobicContact CG1-CE1 3.85Å; A503-Y515 CarbonylContact C-O 3.34Å; A503-Y515 WeakPolarHBondContact CA-O 3.35Å; A503-Y515 VanDerWaalsContact CB-O 3.31Å; A503-Y515 WeakPolarHBondContact CB-O 3.24Å; E504-Y515 HydrophobicContact CG-CD1 3.94Å; E504-Y515 HydrophobicContact CG-CG 4.39Å; E504-Y515 PolarHBondContact N-O 2.61Å
516I93.4Very high89.4Confident27 Ų2774.3 Ų74.314%0.13837%0.369CS..EExtended strand (participates in β ladder)trans-141.1130.2172.8-58.3-179.8000107.4K216 L502 A503 F513 E518K216-I516 HydrophobicContact CD-CD1 4.47Å; K216-I516 VanDerWaalsContact CE-CD1 3.4Å; L502-I516 WeakPolarHBondContact O-CA 3.41Å; A503-I516 HydrophobicContact CB-CG1 4.03Å; F513-I516 HydrophobicContact CB-CD1 3.95Å; F513-I516 HydrophobicContact CB-CG1 4.15Å; F513-I516 HydrophobicContact CG-CD1 4.45Å; I516-E518 PolarHBondContact O-N 2.93Å
517N92.7Very high88.7Confident38 Ų3876 Ų7620%0.20338%0.38CS..  trans-79.996.9170.6-171.4-34000109.5L502 N519 I520 S521L502-N517 PolarHBondContact O-N 3.22Å; N517-N519 VanDerWaalsContact C-N 3.27Å; N517-N519 PolarHBondContact O-N 3.21Å; N517-N519 PolarHBondContact OD1-N 2.9Å; N517-I520 HydrophobicContact CB-CB 4.28Å; N517-I520 HydrophobicContact CB-CD1 4.14Å; N517-I520 HydrophobicContact CB-CG1 4.26Å; N517-I520 VanDerWaalsContact ND2-CD1 3.34Å; N517-I520 WeakPolarHBondContact ND2-CD1 3.48Å; N517-I520 PolarHBondContact O-N 2.78Å; N517-I520 VanDerWaalsContact O-N 3.1Å; N517-I520 PolarHBondContact OD1-N 2.82Å; N517-S521 WeakPolarHBondContact O-CB 3.3Å; N517-S521 PolarHBondContact O-N 3.49Å
518E91.2Very high88Confident118 Ų11874 Ų7455%0.55137%0.371SS*.Hα-helixtrans-62.2-29.5-174.1-63.8-61167.800113.9I516 I520 S522I516-E518 PolarHBondContact O-N 2.93Å; E518-I520 VanDerWaalsContact C-N 3.35Å; E518-S522 WeakPolarHBondContact O-CB 3.44Å; E518-S522 PolarHBondContact O-N 2.8Å; E518-S522 PolarHBondContact O-OG 2.88Å
519N89Confident87.1Confident135 Ų13572.8 Ų72.872%0.72236%0.364SS*.Hα-helixtrans-67.4-37.3176-69.6-11.8000111.8N517 S522 Y523N517-N519 VanDerWaalsContact C-N 3.27Å; N517-N519 PolarHBondContact O-N 3.21Å; N517-N519 PolarHBondContact OD1-N 2.9Å; N519-S522 PolarHBondContact O-OG 2.88Å; N519-Y523 PolarHBondContact O-N 3.21Å
520I87Confident86.5Confident15 Ų1573.2 Ų73.28%0.07737%0.371CS..Hα-helixtrans-80.5-39.1177.7-58.1178.8000110.1T491 V493 K500 L502 N517 E518 S522 Y523 I524T491-I520 HydrophobicContact CG2-CG2 3.37Å; V493-I520 HydrophobicContact CG2-CD1 4.39Å; K500-I520 HydrophobicContact CB-CD1 3.65Å; K500-I520 HydrophobicContact CD-CD1 3.92Å; K500-I520 HydrophobicContact CG-CD1 4.41Å; L502-I520 HydrophobicContact CD1-CB 4.2Å; L502-I520 HydrophobicContact CD1-CG2 3.87Å; N517-I520 HydrophobicContact CB-CB 4.28Å; N517-I520 HydrophobicContact CB-CD1 4.14Å; N517-I520 HydrophobicContact CB-CG1 4.26Å; N517-I520 VanDerWaalsContact ND2-CD1 3.34Å; N517-I520 WeakPolarHBondContact ND2-CD1 3.48Å; N517-I520 PolarHBondContact O-N 2.78Å; N517-I520 VanDerWaalsContact O-N 3.1Å; N517-I520 PolarHBondContact OD1-N 2.82Å; E518-I520 VanDerWaalsContact C-N 3.35Å; I520-S522 PolarHBondContact O-N 2.81Å; I520-Y523 WeakPolarHBondContact O-CB 3.25Å; I520-Y523 PolarHBondContact O-N 2.84Å; I520-I524 HydrophobicContact CG2-CD1 4.12Å; I520-I524 HydrophobicContact CG2-CG1 4.47Å; I520-I524 WeakPolarHBondContact O-CG1 3.21Å; I520-I524 PolarHBondContact O-N 3.25Å
521S87.3Confident86.4Confident5 Ų567.2 Ų67.24%0.03533%0.33CS..Hα-helixtrans-56.2-47.6175178.20000111.9Y217 N517 I524 Q525Y217-S521 PolarHBondContact OH-OG 2.83Å; N517-S521 WeakPolarHBondContact O-CB 3.3Å; N517-S521 PolarHBondContact O-N 3.49Å; S521-I524 PolarHBondContact O-N 2.76Å; S521-Q525 WeakPolarHBondContact O-CG 3.36Å; S521-Q525 PolarHBondContact O-N 2.81Å
522S86Confident86.2Confident48 Ų4864.3 Ų64.334%0.33631%0.31SS..Hα-helixtrans-63-45.1175.548.60000112.3E518 N519 I520 I524 Q525 E526E518-S522 WeakPolarHBondContact O-CB 3.44Å; E518-S522 PolarHBondContact O-N 2.8Å; E518-S522 PolarHBondContact O-OG 2.88Å; N519-S522 PolarHBondContact O-OG 2.88Å; I520-S522 PolarHBondContact O-N 2.81Å; S522-I524 VanDerWaalsContact C-N 3.31Å; S522-I524 PolarHBondContact O-N 3.38Å; S522-Q525 PolarHBondContact O-N 3.27Å; S522-E526 WeakPolarHBondContact O-CG 3.25Å; S522-E526 PolarHBondContact O-N 2.85Å
523Y84.4Confident85.7Confident82 Ų8261.9 Ų61.932%0.32231%0.305SS..Hα-helixtrans-56.8-42.7173.7171.8-97.6000112.6N519 I520 E526 T527N519-Y523 PolarHBondContact O-N 3.21Å; I520-Y523 WeakPolarHBondContact O-CB 3.25Å; I520-Y523 PolarHBondContact O-N 2.84Å; Y523-E526 PolarHBondContact O-N 2.79Å; Y523-T527 HydrophobicContact CD2-CG2 3.91Å; Y523-T527 HydrophobicContact CE1-CG2 4.23Å; Y523-T527 HydrophobicContact CE2-CG2 3.56Å; Y523-T527 HydrophobicContact CG-CG2 4.4Å; Y523-T527 WeakPolarHBondContact O-CB 3.31Å; Y523-T527 VanDerWaalsContact O-CG2 3.26Å; Y523-T527 WeakPolarHBondContact O-CG2 3.48Å; Y523-T527 PolarHBondContact O-N 2.74Å; Y523-T527 PolarHBondContact O-OG1 3.36Å
524I83.2Confident85.1Confident6 Ų661.8 Ų61.83%0.03131%0.308CS..Hα-helixtrans-63.6-45176.5-73.9176.7000110.8Y217 W219 I346 T491 L502 I520 S521 S522 E526 T527 I528Y217-I524 HydrophobicContact CE1-CG2 4.4Å; W219-I524 HydrophobicContact CH2-CG2 3.9Å; W219-I524 HydrophobicContact CZ2-CG2 3.89Å; I346-I524 HydrophobicContact CD1-CD1 4.35Å; T491-I524 HydrophobicContact CG2-CD1 4.19Å; L502-I524 HydrophobicContact CD1-CD1 3.68Å; L502-I524 HydrophobicContact CD2-CD1 3.59Å; L502-I524 HydrophobicContact CG-CD1 4.24Å; I520-I524 HydrophobicContact CG2-CD1 4.12Å; I520-I524 HydrophobicContact CG2-CG1 4.47Å; I520-I524 WeakPolarHBondContact O-CG1 3.21Å; I520-I524 PolarHBondContact O-N 3.25Å; S521-I524 PolarHBondContact O-N 2.76Å; S522-I524 VanDerWaalsContact C-N 3.31Å; S522-I524 PolarHBondContact O-N 3.38Å; I524-E526 VanDerWaalsContact C-N 3.35Å; I524-E526 PolarHBondContact O-N 3.14Å; I524-T527 PolarHBondContact O-N 3.08Å; I524-T527 PolarHBondContact O-OG1 3.29Å; I524-I528 HydrophobicContact CB-CD1 4.42Å; I524-I528 HydrophobicContact CG2-CD1 3.54Å; I524-I528 HydrophobicContact CG2-CG1 4.46Å; I524-I528 WeakPolarHBondContact O-CB 3.25Å; I524-I528 VanDerWaalsContact O-CG1 3.27Å; I524-I528 WeakPolarHBondContact O-CG1 3.22Å; I524-I528 PolarHBondContact O-N 3.43Å
525Q82.1Confident84.6Confident117 Ų11764.6 Ų64.655%0.54732%0.322SS..Hα-helixtrans-64.7-36.2178.1-74.2179.3-10.700113.1Y217 S521 S522Y217-Q525 HydrophobicContact CD1-CG 3.72Å; Y217-Q525 HydrophobicContact CE1-CG 3.93Å; S521-Q525 WeakPolarHBondContact O-CG 3.36Å; S521-Q525 PolarHBondContact O-N 2.81Å; S522-Q525 PolarHBondContact O-N 3.27Å
526E82.9Confident84Confident166 Ų16664.5 Ų64.578%0.77633%0.334SS*.Hα-helixtrans-75.3-33.3178-72.6-179.2179.500112.7S522 Y523 I524S522-E526 WeakPolarHBondContact O-CG 3.25Å; S522-E526 PolarHBondContact O-N 2.85Å; Y523-E526 PolarHBondContact O-N 2.79Å; I524-E526 VanDerWaalsContact C-N 3.35Å; I524-E526 PolarHBondContact O-N 3.14Å
527T79.9Confident83.6Confident44 Ų4464.6 Ų64.627%0.2734%0.337SS..Hα-helixtrans-90.4-23-174.5550000114.4K344 Y523 I524K344-T527 WeakPolarHBondContact CE-O 3.36Å; K344-T527 PolarHBondContact NZ-O 3.45Å; Y523-T527 HydrophobicContact CD2-CG2 3.91Å; Y523-T527 HydrophobicContact CE1-CG2 4.23Å; Y523-T527 HydrophobicContact CE2-CG2 3.56Å; Y523-T527 HydrophobicContact CG-CG2 4.4Å; Y523-T527 WeakPolarHBondContact O-CB 3.31Å; Y523-T527 VanDerWaalsContact O-CG2 3.26Å; Y523-T527 WeakPolarHBondContact O-CG2 3.48Å; Y523-T527 PolarHBondContact O-N 2.74Å; Y523-T527 PolarHBondContact O-OG1 3.36Å; I524-T527 PolarHBondContact O-N 3.08Å; I524-T527 PolarHBondContact O-OG1 3.29Å
528I75.2Confident83Confident13 Ų1366.5 Ų66.57%0.06735%0.353CS..SBendtrans-103.4117.5-175-56.7176.2000109.3W219 L311 K344 I524W219-I528 HydrophobicContact CH2-CD1 4.33Å; W219-I528 HydrophobicContact CZ2-CB 4.49Å; W219-I528 HydrophobicContact CZ2-CD1 3.9Å; W219-I528 HydrophobicContact CZ2-CG2 4.26Å; L311-I528 HydrophobicContact CB-CD1 3.96Å; L311-I528 HydrophobicContact CB-CG2 4.23Å; L311-I528 HydrophobicContact CD1-CD1 3.64Å; L311-I528 HydrophobicContact CD2-CD1 3.74Å; L311-I528 HydrophobicContact CG-CD1 3.94Å; K344-I528 HydrophobicContact CD-CG1 4.15Å; I524-I528 HydrophobicContact CB-CD1 4.42Å; I524-I528 HydrophobicContact CG2-CD1 3.54Å; I524-I528 HydrophobicContact CG2-CG1 4.46Å; I524-I528 WeakPolarHBondContact O-CB 3.25Å; I524-I528 VanDerWaalsContact O-CG1 3.27Å; I524-I528 WeakPolarHBondContact O-CG1 3.22Å; I524-I528 PolarHBondContact O-N 3.43Å
529P68.3Low82.5Confident64 Ų6466.2 Ų66.242%0.41636%0.359SS..PPolyproline II helixtrans-65.1157.3-18027.4-33.8000111.9S531P529-S531 PolarHBondContact O-N 3.49Å; P529-S531 VanDerWaalsContact O-N 3.15Å
530E79.1Confident81.9Confident132 Ų13259.9 Ų59.962%0.61733%0.326SS*.PPolyproline II helixtrans-56.3117.1174.7-167.5-172.6-175.600110.5V532E530-V532 HydrophobicContact CG-CB 4.32Å; E530-V532 HydrophobicContact CG-CG1 3.74Å; E530-V532 HydrophobicContact CG-CG2 3.76Å; E530-V532 PolarHBondContact O-N 3.25Å; E530-V532 WeakPolarHBondContact OE1-CG1 3.37Å
531S87.6Confident81.7Confident1 Ų161.4 Ų61.41%0.00733%0.333CS..  trans-96.879178.3-155.60000109.5F220 Y221 S281 P529F220-S531 PolarHBondContact N-O 2.96Å; Y221-S531 VanDerWaalsContact CB-O 3.3Å; Y221-S531 WeakPolarHBondContact CB-O 3.32Å; Y221-S531 PolarHBondContact N-O 3.48Å; Y221-S531 WeakPolarHBondContact O-CB 3.49Å; Y221-S531 PolarHBondContact O-OG 2.86Å; S281-S531 PolarHBondContact N-OG 3.22Å; P529-S531 PolarHBondContact O-N 3.49Å; P529-S531 VanDerWaalsContact O-N 3.15Å
532V84.9Confident81.4Confident33 Ų3362.3 Ų62.320%0.234%0.337CS..  trans-123.5141.7179.1-70.10000110.9F220 E530F220-V532 HydrophobicContact CD2-CG1 4.47Å; E530-V532 HydrophobicContact CG-CB 4.32Å; E530-V532 HydrophobicContact CG-CG1 3.74Å; E530-V532 HydrophobicContact CG-CG2 3.76Å; E530-V532 PolarHBondContact O-N 3.25Å; E530-V532 WeakPolarHBondContact OE1-CG1 3.37Å
533C83.7Confident81.1Confident32 Ų3264.7 Ų64.722%0.21634%0.341CS..SBendtrans-71.8-41179.2-172.20000112.5Y221 C552Y221-C533 HydrophobicContact CD1-CB 3.95Å; Y221-C533 HydrophobicContact CD2-CB 3.71Å; Y221-C533 HydrophobicContact CE1-CB 4.01Å; Y221-C533 HydrophobicContact CE2-CB 3.74Å; Y221-C533 HydrophobicContact CG-CB 3.8Å; Y221-C533 VanDerWaalsContact CZ-SG 3.59Å; C533-C552 HydrophobicContact CB-CB 4Å; C533-C552 WeakPolarHBondContact CB-SG 3.48Å; C533-C552 WeakPolarHBondContact SG-CB 3.48Å; C533-C552 CovalentContact SG-SG 2.01Å; C533-C552 PolarHBondContact SG-SG 3.45Å
534S83.1Confident80.9Confident22 Ų2267.3 Ų67.315%0.15435%0.351CS..SBendtrans-139.7132.4-174.6-53.40000109.8W553S534-W553 VanDerWaalsContact CB-O 3.27Å; S534-W553 WeakPolarHBondContact CB-O 3.46Å; S534-W553 WeakPolarHBondContact O-CH2 3.5Å; S534-W553 WeakPolarHBondContact O-CZ2 3.43Å; S534-W553 PolarHBondContact OG-N 3.2Å; S534-W553 VanDerWaalsContact OG-N 3.1Å; S534-W553 PolarHBondContact OG-O 3.06Å
535K82.3Confident80.6Confident153 Ų15371.6 Ų71.667%0.66537%0.373SS*.PPolyproline II helixtrans-72157175.7-70.9-174.1178.6-175.80110.9C537 W553K535-C537 PolarHBondContact O-N 2.99Å; K535-W553 PolarHBondContact O-NE1 3.47Å
536P80.8Confident80.3Confident103 Ų10368.1 Ų68.167%0.66936%0.358SS*.PPolyproline II helixtrans-55.7137.6170.123.9-33.6000110.4
537C84.2Confident79.6Confident29 Ų2970.7 Ų70.720%0.19636%0.361CS..PPolyproline II helixtrans-67.6147.9179.4-62.50000111.6K535 Q541 C555K535-C537 PolarHBondContact O-N 2.99Å; C537-Q541 HydrophobicContact CB-CB 3.84Å; C537-C555 WeakPolarHBondContact CA-SG 3.36Å; C537-C555 HydrophobicContact CB-CB 3.76Å; C537-C555 WeakPolarHBondContact CB-SG 3.26Å; C537-C555 WeakPolarHBondContact SG-CA 3.33Å; C537-C555 WeakPolarHBondContact SG-CB 3.31Å; C537-C555 CovalentContact SG-SG 2.05Å; C537-C555 PolarHBondContact SG-SG 3.1Å
538S81.2Confident78.9Confident78 Ų7876 Ų7655%0.54539%0.388SS..PPolyproline II helixtrans-70163.6178.4-62.80000111.1G540 Q541S538-G540 PolarHBondContact O-N 3.49Å; S538-Q541 WeakPolarHBondContact O-CB 3.18Å; S538-Q541 PolarHBondContact O-N 3.36Å
539V79.5Confident78.5Confident112 Ų11281.5 Ų81.568%0.67941%0.407SS*.THydrogen-bonded Turntrans-55.4135172.8-66.50000110.5
540G76.4Confident78.4Confident3 Ų383.1 Ų83.13%0.03142%0.42CS..THydrogen-bonded Turntrans85.70.3-174.900000115.5S538 C558S538-G540 PolarHBondContact O-N 3.49Å; G540-C558 WeakPolarHBondContact O-CB 3.46Å; G540-C558 PolarHBondContact O-N 3.05Å
541Q82.8Confident78.5Confident47 Ų4778.3 Ų78.322%0.2240%0.401CS..EExtended strand (participates in β ladder)trans-110.6150.6175.5-66.2174-19.200112C537 S538 C555 I556 N557C537-Q541 HydrophobicContact CB-CB 3.84Å; S538-Q541 WeakPolarHBondContact O-CB 3.18Å; S538-Q541 PolarHBondContact O-N 3.36Å; Q541-C555 HydrophobicContact CB-CB 4.24Å; Q541-I556 CarbonylContact C-O 3.52Å; Q541-I556 WeakPolarHBondContact CA-O 3.32Å; Q541-I556 WeakPolarHBondContact CB-O 3.46Å; Q541-N557 WeakPolarHBondContact CG-OD1 3.49Å; Q541-N557 PolarHBondContact NE2-OD1 3.06Å
542I80.9Confident78.3Confident23 Ų2378.4 Ų78.412%0.11840%0.402CS..EExtended strand (participates in β ladder)trans-113.6154.2169.263.9169.9000111.2I556 V564 C595I542-I556 HydrophobicContact CD1-CD1 3.77Å; I542-I556 HydrophobicContact CD1-CG1 4.11Å; I542-I556 HydrophobicContact CG1-CD1 3.65Å; I542-I556 HydrophobicContact CG1-CG1 3.39Å; I542-I556 PolarHBondContact N-O 3.08Å; I542-I556 PolarHBondContact O-N 3Å; I542-V564 HydrophobicContact CG2-CB 4.45Å; I542-V564 HydrophobicContact CG2-CG1 3.93Å; I542-V564 HydrophobicContact CG2-CG2 4.01Å; I542-C595 HydrophobicContact CD1-CB 4.49Å; I542-C595 VanDerWaalsContact CD1-SG 3.58Å
543K81.5Confident78.2Confident98 Ų9880 Ų8043%0.42640%0.404SS..EExtended strand (participates in β ladder)trans-78.8124.2174.3-62.6-173.7177.1-1680109.3W553K543-W553 HydrophobicContact CB-CB 4.11Å; K543-W553 HydrophobicContact CB-CG 4.04Å; K543-W553 HydrophobicContact CD-CD2 3.94Å; K543-W553 HydrophobicContact CD-CG 3.96Å; K543-W553 HydrophobicContact CG-CD2 4.43Å; K543-W553 HydrophobicContact CG-CG 3.95Å
544R80.3Confident78.2Confident138 Ų13881.5 Ų81.552%0.52141%0.409SS..EExtended strand (participates in β ladder)trans-113.1121.5165.1-171.7179.481.4-175.27.6108D546 W553 I554 I556R544-D546 PolarHBondContact O-N 3.27Å; R544-W553 CarbonylContact O-C 3.31Å; R544-W553 VanDerWaalsContact O-CA 3.25Å; R544-W553 WeakPolarHBondContact O-CA 3.2Å; R544-W553 WeakPolarHBondContact O-CB 3.44Å; R544-I554 HydrophobicContact CB-CG1 3.98Å; R544-I554 PolarHBondContact N-O 3.2Å; R544-I554 PolarHBondContact O-N 2.85Å; R544-I556 HydrophobicContact CB-CD1 4.24Å; R544-I556 HydrophobicContact CB-CG1 4.45Å; R544-I556 HydrophobicContact CB-CG2 4.47Å
545I76.6Confident78.4Confident96 Ų9682.8 Ų82.849%0.49242%0.417SS..EExtended strand (participates in β ladder)trans-59131.5177.1-62.1171000108.3S550I545-S550 VanDerWaalsContact CG2-O 3.28Å; I545-S550 WeakPolarHBondContact CG2-O 3.48Å
546D74.2Confident78.4Confident43 Ų4378.1 Ų78.123%0.2340%0.399CS..  trans-78.2116.8172.4-172.51.1000108.2R544 D548 R549 S550 C552R544-D546 PolarHBondContact O-N 3.27Å; D546-D548 VanDerWaalsContact C-N 3.26Å; D546-D548 PolarHBondContact O-N 3.34Å; D546-D548 PolarHBondContact OD1-N 3.27Å; D546-R549 HydrophobicContact CB-CB 4.38Å; D546-R549 CarbonylContact O-C 3.52Å; D546-R549 PolarHBondContact O-N 3.41Å; D546-S550 WeakPolarHBondContact O-CA 3.03Å; D546-S550 PolarHBondContact O-N 3.34Å; D546-C552 PolarHBondContact N-O 2.59Å
547W69.6Low78.4Confident221 Ų22179 Ų7984%0.83740%0.398SS*.SBendtrans-68.9-28.4-176.8-66.3109000112.2R549W547-R549 VanDerWaalsContact C-N 3.26Å; W547-R549 PolarHBondContact O-N 3.36Å
548D65.1Low78.2Confident156 Ų15677.9 Ų77.983%0.83439%0.391SS*.SBendtrans-73.7-23.4176.9-65.1-23.6000111.5D546D546-D548 VanDerWaalsContact C-N 3.26Å; D546-D548 PolarHBondContact O-N 3.34Å; D546-D548 PolarHBondContact OD1-N 3.27Å
549R67.5Low77.9Confident127 Ų12776.7 Ų76.748%0.47938%0.383SS..SBendtrans-133.379.5177-61-180-175.5-177.73.2109.1D546 W547 C551 C552D546-R549 HydrophobicContact CB-CB 4.38Å; D546-R549 CarbonylContact O-C 3.52Å; D546-R549 PolarHBondContact O-N 3.41Å; W547-R549 VanDerWaalsContact C-N 3.26Å; W547-R549 PolarHBondContact O-N 3.36Å; R549-C551 PolarHBondContact O-N 2.62Å; R549-C552 HydrophobicContact CB-CB 3.84Å; R549-C552 WeakPolarHBondContact O-CB 3.35Å; R549-C552 PolarHBondContact O-N 2.88Å
550S66.3Low77.5Confident98 Ų9876 Ų7669%0.68538%0.383SS*.THydrogen-bonded Turntrans-46.5-24.3-168.257.70000116.9I545 D546I545-S550 VanDerWaalsContact CG2-O 3.28Å; I545-S550 WeakPolarHBondContact CG2-O 3.48Å; D546-S550 WeakPolarHBondContact O-CA 3.03Å; D546-S550 PolarHBondContact O-N 3.34Å
551C79.2Confident77.1Confident31 Ų3178.7 Ų78.721%0.20940%0.395CS..THydrogen-bonded Turntrans-101.8-10.3-178.3790000114.2I249 C251 R549I249-C551 HydrophobicContact CG2-CB 3.75Å; C251-C551 HydrophobicContact CB-CB 4.03Å; C251-C551 WeakPolarHBondContact CB-SG 3.5Å; C251-C551 WeakPolarHBondContact SG-CB 3.38Å; C251-C551 CovalentContact SG-SG 2Å; C251-C551 PolarHBondContact SG-SG 3.45Å; R549-C551 PolarHBondContact O-N 2.62Å
552C83.5Confident76.8Confident4 Ų478 Ų783%0.02739%0.391CS..  trans-93.3159.4178.1-52.30000110.2C533 D546 R549C533-C552 HydrophobicContact CB-CB 4Å; C533-C552 WeakPolarHBondContact CB-SG 3.48Å; C533-C552 WeakPolarHBondContact SG-CB 3.48Å; C533-C552 CovalentContact SG-SG 2.01Å; C533-C552 PolarHBondContact SG-SG 3.45Å; D546-C552 PolarHBondContact N-O 2.59Å; R549-C552 HydrophobicContact CB-CB 3.84Å; R549-C552 WeakPolarHBondContact O-CB 3.35Å; R549-C552 PolarHBondContact O-N 2.88Å
553W83.6Confident76.6Confident66 Ų6678.1 Ų78.125%0.2539%0.392CS..EExtended strand (participates in β ladder)trans-133.3146.7175.261.183.7000110.8S534 K535 K543 R544S534-W553 VanDerWaalsContact CB-O 3.27Å; S534-W553 WeakPolarHBondContact CB-O 3.46Å; S534-W553 WeakPolarHBondContact O-CH2 3.5Å; S534-W553 WeakPolarHBondContact O-CZ2 3.43Å; S534-W553 PolarHBondContact OG-N 3.2Å; S534-W553 VanDerWaalsContact OG-N 3.1Å; S534-W553 PolarHBondContact OG-O 3.06Å; K535-W553 PolarHBondContact O-NE1 3.47Å; K543-W553 HydrophobicContact CB-CB 4.11Å; K543-W553 HydrophobicContact CB-CG 4.04Å; K543-W553 HydrophobicContact CD-CD2 3.94Å; K543-W553 HydrophobicContact CD-CG 3.96Å; K543-W553 HydrophobicContact CG-CD2 4.43Å; K543-W553 HydrophobicContact CG-CG 3.95Å; R544-W553 CarbonylContact O-C 3.31Å; R544-W553 VanDerWaalsContact O-CA 3.25Å; R544-W553 WeakPolarHBondContact O-CA 3.2Å; R544-W553 WeakPolarHBondContact O-CB 3.44Å
554I83.4Confident76.4Confident64 Ų6474.8 Ų74.833%0.32838%0.38SS..EExtended strand (participates in β ladder)trans-95.7148.5164.966.8168.1000109.5R544 I556R544-I554 HydrophobicContact CB-CG1 3.98Å; R544-I554 PolarHBondContact N-O 3.2Å; R544-I554 PolarHBondContact O-N 2.85Å; I554-I556 HydrophobicContact CD1-CG2 4.06Å; I554-I556 HydrophobicContact CG1-CG2 4.26Å
555C86.9Confident75.9Confident48 Ų4869.8 Ų69.832%0.32436%0.364SS..EExtended strand (participates in β ladder)trans-94.2115.3175.3-61.40000109.1C537 Q541C537-C555 WeakPolarHBondContact CA-SG 3.36Å; C537-C555 HydrophobicContact CB-CB 3.76Å; C537-C555 WeakPolarHBondContact CB-SG 3.26Å; C537-C555 WeakPolarHBondContact SG-CA 3.33Å; C537-C555 WeakPolarHBondContact SG-CB 3.31Å; C537-C555 CovalentContact SG-SG 2.05Å; C537-C555 PolarHBondContact SG-SG 3.1Å; Q541-C555 HydrophobicContact CB-CB 4.24Å
556I83Confident75.1Confident55 Ų5569 Ų6928%0.28237%0.368SS..EExtended strand (participates in β ladder)trans-101.6133.4175.157.2172000109.5Q541 I542 R544 I554 C558Q541-I556 CarbonylContact C-O 3.52Å; Q541-I556 WeakPolarHBondContact CA-O 3.32Å; Q541-I556 WeakPolarHBondContact CB-O 3.46Å; I542-I556 HydrophobicContact CD1-CD1 3.77Å; I542-I556 HydrophobicContact CD1-CG1 4.11Å; I542-I556 HydrophobicContact CG1-CD1 3.65Å; I542-I556 HydrophobicContact CG1-CG1 3.39Å; I542-I556 PolarHBondContact N-O 3.08Å; I542-I556 PolarHBondContact O-N 3Å; R544-I556 HydrophobicContact CB-CD1 4.24Å; R544-I556 HydrophobicContact CB-CG1 4.45Å; R544-I556 HydrophobicContact CB-CG2 4.47Å; I554-I556 HydrophobicContact CD1-CG2 4.06Å; I554-I556 HydrophobicContact CG1-CG2 4.26Å; I556-C558 PolarHBondContact O-N 3.24Å
557N80.7Confident74.1Confident121 Ų12171.2 Ų71.265%0.64738%0.383SS*.EExtended strand (participates in β ladder)trans-67.4130.9173.9-71.1-20.6000109.3Q541Q541-N557 WeakPolarHBondContact CG-OD1 3.49Å; Q541-N557 PolarHBondContact NE2-OD1 3.06Å
558C80.4Confident72.8Confident6 Ų666.6 Ų66.64%0.04137%0.374CS..PPolyproline II helixtrans-66.2146.6163-68.60000109.5G540 I556 Q562 C595 Q608G540-C558 WeakPolarHBondContact O-CB 3.46Å; G540-C558 PolarHBondContact O-N 3.05Å; I556-C558 PolarHBondContact O-N 3.24Å; C558-Q562 HydrophobicContact CB-CB 4.05Å; C558-C595 WeakPolarHBondContact CA-SG 3.36Å; C558-C595 HydrophobicContact CB-CB 3.89Å; C558-C595 WeakPolarHBondContact CB-SG 2.97Å; C558-C595 WeakPolarHBondContact SG-CB 3.31Å; C558-C595 CovalentContact SG-SG 2.05Å; C558-C595 PolarHBondContact SG-SG 2.93Å; C558-Q608 PolarHBondContact O-NE2 3.23Å; C558-Q608 VanDerWaalsContact O-NE2 3.07Å
559S75.2Confident71.7Confident54 Ų5466.6 Ų66.638%0.37837%0.373SS..PPolyproline II helixtrans-53.8148.2172173.60000109.9Q561 Q562 Q608S559-Q561 PolarHBondContact O-N 3.34Å; S559-Q562 VanDerWaalsContact N-OE1 3.13Å; S559-Q562 PolarHBondContact O-N 3.41Å; S559-Q608 PolarHBondContact O-NE2 3.07Å
560S71.5Confident70.2Confident97 Ų9767.6 Ų67.668%0.67839%0.388SS*.THydrogen-bonded Turntrans-54.3-13.7179.259.50000114.2
561Q66.9Low68.7Low60 Ų6072 Ų7228%0.2840%0.395SS..THydrogen-bonded Turntrans-1040.6179.3-54-168.415.200114.5S559 F597 P604 H806S559-Q561 PolarHBondContact O-N 3.34Å; Q561-F597 HydrophobicContact CB-CD1 4.34Å; Q561-F597 HydrophobicContact CB-CE1 4.37Å; Q561-P604 WeakPolarHBondContact O-CG 3.42Å; Q561-H806 PolarHBondContact OE1-ND1 2.96Å
562Q76.5Confident66.4Low32 Ų3276.4 Ų76.415%0.1542%0.416CS..EExtended strand (participates in β ladder)trans-109.7153.7178.9-66.9172.4-31.500110.9C558 S559 C595 Q596 F597 Q608C558-Q562 HydrophobicContact CB-CB 4.05Å; S559-Q562 VanDerWaalsContact N-OE1 3.13Å; S559-Q562 PolarHBondContact O-N 3.41Å; Q562-C595 HydrophobicContact CB-CB 4.09Å; Q562-C595 HydrophobicContact CG-CB 4.43Å; Q562-C595 VanDerWaalsContact OE1-CB 3.31Å; Q562-Q596 CarbonylContact C-O 3.11Å; Q562-Q596 VanDerWaalsContact CA-O 3.29Å; Q562-Q596 WeakPolarHBondContact CA-O 3.44Å; Q562-F597 HydrophobicContact CG-CD1 3.55Å; Q562-F597 HydrophobicContact CG-CD2 4.23Å; Q562-F597 HydrophobicContact CG-CE1 3.55Å; Q562-F597 HydrophobicContact CG-CE2 4.24Å; Q562-F597 HydrophobicContact CG-CG 3.91Å; Q562-F597 HydrophobicContact CG-CZ 3.92Å; Q562-Q608 PolarHBondContact O-NE2 3.34Å
563I76.3Confident64.4Low26 Ų2681.9 Ų81.913%0.13345%0.452CS..EExtended strand (participates in β ladder)trans-111.1151.6168.358.7162.2000110.2Q596 P604 Q608I563-Q596 PolarHBondContact N-O 3.24Å; I563-Q596 PolarHBondContact O-N 3.4Å; I563-P604 HydrophobicContact CG2-CB 3.74Å; I563-P604 HydrophobicContact CG2-CG 4.08Å; I563-Q608 CarbonylContact C-O 3.57Å; I563-Q608 WeakPolarHBondContact CA-O 3.48Å; I563-Q608 WeakPolarHBondContact CB-O 3.41Å
564V77.4Confident62.1Low28 Ų2884.7 Ų84.717%0.1747%0.472CS..EExtended strand (participates in β ladder)trans-76.2120.51681790000108.1I542 S566 P593 Q608I542-V564 HydrophobicContact CG2-CB 4.45Å; I542-V564 HydrophobicContact CG2-CG1 3.93Å; I542-V564 HydrophobicContact CG2-CG2 4.01Å; V564-S566 PolarHBondContact O-N 3.35Å; V564-P593 HydrophobicContact CG1-CB 4.14Å; V564-Q608 PolarHBondContact N-O 2.84Å
565T70.2Confident59.8Low32 Ų3288.8 Ų88.820%0.19650%0.495CS..PPolyproline II helixtrans-72.4119.6171.955.80000109.7P593 M594 Q596T565-P593 WeakPolarHBondContact O-CB 3.32Å; T565-M594 PolarHBondContact N-O 2.86Å; T565-M594 VanDerWaalsContact OG1-CG 3.31Å; T565-M594 WeakPolarHBondContact OG1-CG 3.45Å; T565-M594 PolarHBondContact OG1-N 2.8Å; T565-M594 VanDerWaalsContact OG1-N 3.15Å; T565-M594 PolarHBondContact OG1-O 2.84Å; T565-M594 VanDerWaalsContact OG1-O 3.11Å; T565-Q596 HydrophobicContact CG2-CB 3.7Å; T565-Q596 VanDerWaalsContact CG2-OE1 3.26Å
566S59.5Low57Low81 Ų8192.5 Ų92.557%0.56652%0.516SS*.PPolyproline II helixtrans-78.1132.4166.159.90000108.9V564 N568V564-S566 PolarHBondContact O-N 3.35Å; S566-N568 VanDerWaalsContact C-N 3.33Å; S566-N568 PolarHBondContact O-N 2.97Å
567V54.2Low55Low89 Ų8997 Ų9754%0.53954%0.539SS..  trans-62.397.6164.7-174.60000107.2L569 A591V567-L569 VanDerWaalsContact C-N 3.32Å; V567-L569 HydrophobicContact CG1-CG 4.15Å; V567-L569 PolarHBondContact O-N 2.92Å; V567-A591 WeakPolarHBondContact CG2-O 3.49Å
568N41.5Very low52.9Low124 Ų12498.4 Ų98.466%0.66355%0.547SS*.  trans-74.489.6172.6-84.7-59.1000108.1S566 N570S566-N568 VanDerWaalsContact C-N 3.33Å; S566-N568 PolarHBondContact O-N 2.97Å; N568-N570 PolarHBondContact O-N 3.06Å
569L43Very low50.7Low155 Ų155104.5 Ų104.581%0.81258%0.579SS**THydrogen-bonded Turntrans-66.2-6.4170.9-85.9153.7000113.4V567V567-L569 VanDerWaalsContact C-N 3.32Å; V567-L569 HydrophobicContact CG1-CG 4.15Å; V567-L569 PolarHBondContact O-N 2.92Å
570N35.1Very low48.9Very low149 Ų149109.1 Ų109.180%0.79760%0.599SS**THydrogen-bonded Turntrans-124.741.2-171.2-72.4-9.9000115.3N568 N572N568-N570 PolarHBondContact O-N 3.06Å; N570-N572 PolarHBondContact O-N 3.16Å
571K35.2Very low47.3Very low189 Ų189111.7 Ų111.782%0.82260%0.604SS**  trans-88.186.4154.2-94-171.7177.3-178.50108.8P573K571-P573 WeakPolarHBondContact O-CD 2.97Å
572N31Very low45.5Very low124 Ų124115.5 Ų115.566%0.66363%0.632SS**  trans-48.7116.7166.5-164.3-1.1000109.1N570 N574N570-N572 PolarHBondContact O-N 3.16Å; N572-N574 PolarHBondContact O-N 3.14Å
573P40.8Very low43.6Very low120 Ų120120.3 Ų120.378%0.77966%0.658SS**SBendtrans-80.453.8-175.335-35.1000110.7K571K571-P573 WeakPolarHBondContact O-CD 2.97Å
574N34.9Very low41.3Very low124 Ų124128.8 Ų128.866%0.66370%0.697SS**  trans-117.115.3178.7-80.91.1000113.9N572N572-N574 PolarHBondContact O-N 3.14Å
575N34.6Very low39.2Very low150 Ų150132.4 Ų132.480%0.80272%0.724SS**SBendtrans-108.384167.2-78.5-3.9000110.4
576T30Very low37.3Very low127 Ų127136.9 Ų136.978%0.77975%0.751SS**  trans46.482.2141.48.20000116.5N578T576-N578 PolarHBondContact O-N 2.65Å
577I40.2Very low36.1Very low149 Ų149138.2 Ų138.276%0.76476%0.761SS**  trans-78.4104.6158.2-64.3172.9000107.4
578N36.9Very low35Very low151 Ų151140.1 Ų140.181%0.80777%0.768SS**  trans-69.1123.1150.5-78.8-17000107.4T576T576-N578 PolarHBondContact O-N 2.65Å
579N34.6Very low34.8Very low134 Ų134140.7 Ų140.772%0.71778%0.778SS**SBendtrans-53.4145.6-176.4-63.7-34.8000113.1
580N36.8Very low34.3Very low150 Ų150142 Ų14280%0.80278%0.782SS**  trans12182.7160.3-59.4-14.3000112.5
581I38.3Very low34.8Very low152 Ų152137.6 Ų137.678%0.77977%0.767SS**  trans-174.3106.5130.8-84.2144.2000106.3N583I581-N583 HydrophobicContact CG2-CB 4.37Å; I581-N583 PolarHBondContact O-N 2.78Å; I581-N583 VanDerWaalsContact O-N 3.12Å
582T29.5Very low35.8Very low140 Ų140132.4 Ų132.486%0.85975%0.754SS**  trans-67.594.9165.942.80000109
583N35.3Very low37.6Very low133 Ų133128.8 Ų128.871%0.71174%0.738SS**  trans-129.4104.6157.2-82.5-24.9000107.4I581 S585I581-N583 HydrophobicContact CG2-CB 4.37Å; I581-N583 PolarHBondContact O-N 2.78Å; I581-N583 VanDerWaalsContact O-N 3.12Å; N583-S585 PolarHBondContact O-N 3.32Å
584Q29.1Very low39Very low203 Ų203127.6 Ų127.695%0.94972%0.723SS**  trans-54.697.8165.2-70.4166.4-29.600108.4
585S33Very low41.2Very low105 Ų105123.3 Ų123.373%0.73470%0.702SS**  trans-113.7102.815761.30000106.5N583 S587N583-S585 PolarHBondContact O-N 3.32Å; S585-S587 VanDerWaalsContact C-N 3.34Å; S585-S587 PolarHBondContact O-N 3.13Å
586T29.5Very low43Very low126 Ų126121.5 Ų121.577%0.77369%0.689SS**  trans-57.997.3164.838.40000107.8N588T586-N588 VanDerWaalsContact C-N 3.29Å; T586-N588 PolarHBondContact O-N 2.89Å
587S34.9Very low45Very low109 Ų109119.3 Ų119.376%0.76267%0.669SS**  trans-68.592.1166.754.40000107.9S585 P589S585-S587 VanDerWaalsContact C-N 3.34Å; S585-S587 PolarHBondContact O-N 3.13Å; S587-P589 VanDerWaalsContact O-CD 3.26Å; S587-P589 WeakPolarHBondContact O-CD 3.34Å
588N30.1Very low46.4Very low128 Ų128113 Ų11368%0.68464%0.638SS**  trans-58119.5171.2-83-9.7000109T586 M590T586-N588 VanDerWaalsContact C-N 3.29Å; T586-N588 PolarHBondContact O-N 2.89Å; N588-M590 PolarHBondContact O-N 3.26Å
589P38.2Very low47.8Very low136 Ų136109.7 Ų109.788%0.88363%0.627SS**THydrogen-bonded Turntrans-70.215.4-179.4-1731.3000115.2S587S587-P589 VanDerWaalsContact O-CD 3.26Å; S587-P589 WeakPolarHBondContact O-CD 3.34Å
590M33.3Very low49.1Very low182 Ų182106.1 Ų106.190%0.89761%0.61SS**THydrogen-bonded Turntrans-126.218.3-168-146.4176.1173.800113.5N588 S592N588-M590 PolarHBondContact O-N 3.26Å; M590-S592 PolarHBondContact O-N 2.78Å
591A44.6Very low50.1Low57 Ų5799 Ų9947%0.47157%0.573SS.*  trans-73.6113.8179.400000110.9V567 M594V567-A591 WeakPolarHBondContact CG2-O 3.49Å; A591-M594 HydrophobicContact CB-CE 4.21Å
592S57.1Low51.6Low80 Ų8097.1 Ų97.156%0.55956%0.557SS**  trans-60.5150.9171.947.50000111.6M590 M594M590-S592 PolarHBondContact O-N 2.78Å; S592-M594 PolarHBondContact O-N 2.88Å
593P67.5Low53.7Low49 Ų4996.7 Ų96.732%0.31854%0.539SS..  trans-56.8128.6176.323.2-33000110.1V564 T565V564-P593 HydrophobicContact CG1-CB 4.14Å; T565-P593 WeakPolarHBondContact O-CB 3.32Å
594M71.4Confident55.6Low95 Ų9591.3 Ų91.347%0.46851%0.512SS..  trans-129.3151.5-172.549.4-179.375.100111.1T565 A591 S592 Q596T565-M594 PolarHBondContact N-O 2.86Å; T565-M594 VanDerWaalsContact OG1-CG 3.31Å; T565-M594 WeakPolarHBondContact OG1-CG 3.45Å; T565-M594 PolarHBondContact OG1-N 2.8Å; T565-M594 VanDerWaalsContact OG1-N 3.15Å; T565-M594 PolarHBondContact OG1-O 2.84Å; T565-M594 VanDerWaalsContact OG1-O 3.11Å; A591-M594 HydrophobicContact CB-CE 4.21Å; S592-M594 PolarHBondContact O-N 2.88Å; M594-Q596 PolarHBondContact O-N 2.79Å
595C80.2Confident58Low34 Ų3483 Ų8323%0.2347%0.474CS..EExtended strand (participates in β ladder)trans-78.4116.8176.5-60.10000109.5I542 C558 Q562I542-C595 HydrophobicContact CD1-CB 4.49Å; I542-C595 VanDerWaalsContact CD1-SG 3.58Å; C558-C595 WeakPolarHBondContact CA-SG 3.36Å; C558-C595 HydrophobicContact CB-CB 3.89Å; C558-C595 WeakPolarHBondContact CB-SG 2.97Å; C558-C595 WeakPolarHBondContact SG-CB 3.31Å; C558-C595 CovalentContact SG-SG 2.05Å; C558-C595 PolarHBondContact SG-SG 2.93Å; Q562-C595 HydrophobicContact CB-CB 4.09Å; Q562-C595 HydrophobicContact CG-CB 4.43Å; Q562-C595 VanDerWaalsContact OE1-CB 3.31Å
596Q73.3Confident60.1Low112 Ų11288 Ų8852%0.52348%0.482SS..EExtended strand (participates in β ladder)trans-118.2136.3179.4-173.7179-11.200110.9Q562 I563 T565 M594Q562-Q596 CarbonylContact C-O 3.11Å; Q562-Q596 VanDerWaalsContact CA-O 3.29Å; Q562-Q596 WeakPolarHBondContact CA-O 3.44Å; I563-Q596 PolarHBondContact N-O 3.24Å; I563-Q596 PolarHBondContact O-N 3.4Å; T565-Q596 HydrophobicContact CG2-CB 3.7Å; T565-Q596 VanDerWaalsContact CG2-OE1 3.26Å; M594-Q596 PolarHBondContact O-N 2.79Å
597F71.8Confident62.4Low80 Ų8086.3 Ų86.335%0.35147%0.469SS..EExtended strand (participates in β ladder)trans-69.9142.4172.6-68.8-78.8000111.7Q561 Q562 I804 H806Q561-F597 HydrophobicContact CB-CD1 4.34Å; Q561-F597 HydrophobicContact CB-CE1 4.37Å; Q562-F597 HydrophobicContact CG-CD1 3.55Å; Q562-F597 HydrophobicContact CG-CD2 4.23Å; Q562-F597 HydrophobicContact CG-CE1 3.55Å; Q562-F597 HydrophobicContact CG-CE2 4.24Å; Q562-F597 HydrophobicContact CG-CG 3.91Å; Q562-F597 HydrophobicContact CG-CZ 3.92Å; F597-I804 HydrophobicContact CB-CD1 4.38Å; F597-I804 HydrophobicContact CG-CD1 4.5Å; F597-H806 AromaticContact CE1-CE1 3.94Å
598C69.2Low64.5Low17 Ų1782.8 Ų82.812%0.11544%0.44CS..PPolyproline II helixtrans-66.3151.2171-69.50000111.5C611C598-C611 WeakPolarHBondContact CA-SG 2.93Å; C598-C611 HydrophobicContact CB-CB 3.92Å; C598-C611 WeakPolarHBondContact CB-SG 3.42Å; C598-C611 WeakPolarHBondContact SG-CB 3.36Å; C598-C611 CovalentContact SG-SG 2.05Å; C598-C611 PolarHBondContact SG-SG 3.28Å
599S66.4Low66.7Low82 Ų8280.3 Ų80.357%0.57343%0.43SS*.PPolyproline II helixtrans-62.7153.8172.3-55.90000111.4G601 Y602S599-G601 PolarHBondContact O-N 3.04Å; S599-Y602 PolarHBondContact O-N 3.14Å; S599-Y602 VanDerWaalsContact O-N 3.13Å
600P60.9Low68.6Low58 Ų5881 Ų8138%0.37742%0.419SS..THydrogen-bonded Turntrans-50.1138.2174.6-25.934000111.8D771P600-D771 WeakPolarHBondContact CB-OD1 3.49Å
601G59Low70.7Confident1 Ų174 Ų741%0.0139%0.388CS..THydrogen-bonded Turntrans89.3-3.2-174.700000115.7S599 L614S599-G601 PolarHBondContact O-N 3.04Å; G601-L614 PolarHBondContact O-N 2.76Å
602Y68.8Low72Confident113 Ų11375.9 Ų75.944%0.44339%0.387SS..EExtended strand (participates in β ladder)trans-125.9152.8179.9-62.6-102.2000112.2S599 C611 Q612 L613S599-Y602 PolarHBondContact O-N 3.14Å; S599-Y602 VanDerWaalsContact O-N 3.13Å; Y602-C611 HydrophobicContact CD1-CB 4.39Å; Y602-Q612 CarbonylContact C-O 3.5Å; Y602-Q612 WeakPolarHBondContact CA-O 3.28Å; Y602-Q612 WeakPolarHBondContact CB-O 3.36Å; Y602-L613 HydrophobicContact CD1-CB 4.39Å; Y602-L613 HydrophobicContact CD1-CD1 4.34Å; Y602-L613 HydrophobicContact CE1-CB 4.29Å; Y602-L613 HydrophobicContact CE1-CD1 3.81Å; Y602-L613 HydrophobicContact CE2-CD1 4.15Å
603R73.2Confident72.5Confident130 Ų13076.2 Ų76.249%0.49138%0.382SS..EExtended strand (participates in β ladder)trans-126152171.964.1173.6-175.2165.31.9111.4C611 Q612 L614R603-C611 CarbonylContact O-C 3.59Å; R603-C611 WeakPolarHBondContact O-CA 3.37Å; R603-Q612 PolarHBondContact N-O 2.85Å; R603-Q612 PolarHBondContact O-N 3.11Å; R603-L614 HydrophobicContact CB-CD2 3.97Å; R603-L614 HydrophobicContact CG-CD2 4.1Å
604P77.1Confident72.5Confident21 Ų2174.5 Ų74.514%0.13637%0.37CS..EExtended strand (participates in β ladder)trans-58.3146.6170.5-24.534.9000112.5Q561 I563 Q608Q561-P604 WeakPolarHBondContact O-CG 3.42Å; I563-P604 HydrophobicContact CG2-CB 3.74Å; I563-P604 HydrophobicContact CG2-CG 4.08Å; P604-Q608 HydrophobicContact CB-CG 4.34Å
605N78.7Confident72.4Confident27 Ų2772.7 Ų72.714%0.14437%0.365CS..  trans-68.8168.5164.766-19.1000111N607 Q608 T609 K610 Q612N605-N607 PolarHBondContact O-N 3.33Å; N605-N607 VanDerWaalsContact O-N 3.09Å; N605-Q608 PolarHBondContact O-N 2.73Å; N605-Q608 WeakPolarHBondContact OD1-CA 3.3Å; N605-Q608 PolarHBondContact OD1-N 2.91Å; N605-T609 PolarHBondContact ND2-OG1 3.24Å; N605-T609 PolarHBondContact OD1-N 3.42Å; N605-K610 WeakPolarHBondContact CB-O 3.45Å; N605-K610 PolarHBondContact N-O 3.25Å; N605-K610 PolarHBondContact OD1-N 3.28Å; N605-K610 PolarHBondContact OD1-O 3.45Å; N605-Q612 HydrophobicContact CB-CG 4.19Å
606K76Confident72Confident210 Ų21075 Ų7591%0.91337%0.374SS*.THydrogen-bonded Turntrans-53.7-31.6178.1-70.5-173.1177.7-176.30113.9
607N78.1Confident72Confident92 Ų9273.4 Ų73.449%0.49237%0.366SS..THydrogen-bonded Turntrans-89.70.9-179.1-61.65.6000113.2N605 T609N605-N607 PolarHBondContact O-N 3.33Å; N605-N607 VanDerWaalsContact O-N 3.09Å; N607-T609 HydrophobicContact CB-CG2 4.27Å; N607-T609 WeakPolarHBondContact O-CG2 3.39Å; N607-T609 PolarHBondContact O-N 3.47Å; N607-T609 VanDerWaalsContact O-N 3.15Å
608Q78.9Confident72.3Confident34 Ų3473.9 Ų73.916%0.15937%0.366CS..SBendtrans50.235.7-175.8-64.9172.4-63.800114.2C558 S559 Q562 I563 V564 P604 N605C558-Q608 PolarHBondContact O-NE2 3.23Å; C558-Q608 VanDerWaalsContact O-NE2 3.07Å; S559-Q608 PolarHBondContact O-NE2 3.07Å; Q562-Q608 PolarHBondContact O-NE2 3.34Å; I563-Q608 CarbonylContact C-O 3.57Å; I563-Q608 WeakPolarHBondContact CA-O 3.48Å; I563-Q608 WeakPolarHBondContact CB-O 3.41Å; V564-Q608 PolarHBondContact N-O 2.84Å; P604-Q608 HydrophobicContact CB-CG 4.34Å; N605-Q608 PolarHBondContact O-N 2.73Å; N605-Q608 WeakPolarHBondContact OD1-CA 3.3Å; N605-Q608 PolarHBondContact OD1-N 2.91Å
609T77.2Confident72.8Confident77 Ų7773.9 Ų73.947%0.47236%0.364SS..SBendtrans-107.3-23.1177.955.10000113.5N605 N607N605-T609 PolarHBondContact ND2-OG1 3.24Å; N605-T609 PolarHBondContact OD1-N 3.42Å; N607-T609 HydrophobicContact CB-CG2 4.27Å; N607-T609 WeakPolarHBondContact O-CG2 3.39Å; N607-T609 PolarHBondContact O-N 3.47Å; N607-T609 VanDerWaalsContact O-N 3.15Å
610K77.1Confident73.5Confident149 Ų14971.2 Ų71.265%0.64835%0.346SS*.SBendtrans-145.1139-174.7-171.1175.6-179.5178.50111.4N605N605-K610 WeakPolarHBondContact CB-O 3.45Å; N605-K610 PolarHBondContact N-O 3.25Å; N605-K610 PolarHBondContact OD1-N 3.28Å; N605-K610 PolarHBondContact OD1-O 3.45Å
611C78.5Confident74.4Confident37 Ų3771.5 Ų71.525%0.2534%0.343CS..EExtended strand (participates in β ladder)trans-78.1127.3171.5-62.80000110.8C598 Y602 R603C598-C611 WeakPolarHBondContact CA-SG 2.93Å; C598-C611 HydrophobicContact CB-CB 3.92Å; C598-C611 WeakPolarHBondContact CB-SG 3.42Å; C598-C611 WeakPolarHBondContact SG-CB 3.36Å; C598-C611 CovalentContact SG-SG 2.05Å; C598-C611 PolarHBondContact SG-SG 3.28Å; Y602-C611 HydrophobicContact CD1-CB 4.39Å; R603-C611 CarbonylContact O-C 3.59Å; R603-C611 WeakPolarHBondContact O-CA 3.37Å
612Q71.5Confident75.4Confident96 Ų9680.5 Ų80.545%0.44938%0.378SS..EExtended strand (participates in β ladder)trans-107.6145.4174.4-68.4-177.7-24.400110.1Y602 R603 N605Y602-Q612 CarbonylContact C-O 3.5Å; Y602-Q612 WeakPolarHBondContact CA-O 3.28Å; Y602-Q612 WeakPolarHBondContact CB-O 3.36Å; R603-Q612 PolarHBondContact N-O 2.85Å; R603-Q612 PolarHBondContact O-N 3.11Å; N605-Q612 HydrophobicContact CB-CG 4.19Å
613L68.5Low76.1Confident87 Ų8779.2 Ų79.246%0.45538%0.376SS..EExtended strand (participates in β ladder)trans-61.7139176.4-163.388.5000110.3Y602Y602-L613 HydrophobicContact CD1-CB 4.39Å; Y602-L613 HydrophobicContact CD1-CD1 4.34Å; Y602-L613 HydrophobicContact CE1-CB 4.29Å; Y602-L613 HydrophobicContact CE1-CD1 3.81Å; Y602-L613 HydrophobicContact CE2-CD1 4.15Å
614L67.2Low76.8Confident12 Ų1281 Ų816%0.06339%0.387CS..PPolyproline II helixtrans-62.2138168.9-71.2163.9000109.6G601 R603 N811G601-L614 PolarHBondContact O-N 2.76Å; R603-L614 HydrophobicContact CB-CD2 3.97Å; R603-L614 HydrophobicContact CG-CD2 4.1Å; L614-N811 PolarHBondContact O-ND2 3.37Å
615P69.6Low77.2Confident58 Ų5882.8 Ų82.838%0.37740%0.398SS..PPolyproline II helixtrans-62147.3177.526.9-34.2000110.7N810 N811P615-N810 WeakPolarHBondContact CG-OD1 3.45Å; P615-N810 CarbonylContact O-C 2.94Å; P615-N810 WeakPolarHBondContact O-CA 3.25Å; P615-N810 WeakPolarHBondContact O-CB 3.47Å; P615-N811 PolarHBondContact O-N 2.82Å
616I72.1Confident77.5Confident81 Ų8181.6 Ų81.642%0.41539%0.392SS..EExtended strand (participates in β ladder)trans-80.3131.7176-65.1155.9000108.6Y618 L767 N811 I813I616-Y618 HydrophobicContact CG2-CD1 4.38Å; I616-L767 HydrophobicContact CG1-CD1 4.07Å; I616-N811 CarbonylContact C-O 3.42Å; I616-N811 WeakPolarHBondContact CA-O 3.1Å; I616-I813 HydrophobicContact CB-CD1 4.46Å; I616-I813 HydrophobicContact CD1-CD1 3.99Å; I616-I813 HydrophobicContact CG1-CD1 4.27Å; I616-I813 HydrophobicContact CG2-CB 4.18Å; I616-I813 HydrophobicContact CG2-CD1 3.46Å; I616-I813 VanDerWaalsContact CG2-CD1 3.46Å; I616-I813 HydrophobicContact CG2-CG1 3.5Å
617K72.8Confident78.1Confident80 Ų8076.6 Ų76.635%0.34837%0.372SS..EExtended strand (participates in β ladder)trans-120130.9173.7-170.4-178.4162.7-179.90109.4N810 N811 L812 M882K617-N810 HydrophobicContact CB-CB 3.53Å; K617-N810 HydrophobicContact CD-CB 4.36Å; K617-N810 WeakPolarHBondContact CD-ND2 3.35Å; K617-N811 PolarHBondContact N-O 2.8Å; K617-L812 WeakPolarHBondContact O-CA 3.47Å; K617-M882 HydrophobicContact CB-CE 3.49Å; K617-M882 VanDerWaalsContact CB-CE 3.49Å; K617-M882 HydrophobicContact CB-SD 4Å; K617-M882 HydrophobicContact CD-CE 3.28Å; K617-M882 HydrophobicContact CD-SD 4.11Å; K617-M882 HydrophobicContact CG-CE 3.24Å; K617-M882 HydrophobicContact CG-SD 3.55Å; K617-M882 VanDerWaalsContact CG-SD 3.55Å
618Y78Confident78.6Confident90 Ų9075.7 Ų75.735%0.35337%0.373SS..  trans-137.9169.4178.959.6-85.5000108I616 S620I616-Y618 HydrophobicContact CG2-CD1 4.38Å; Y618-S620 PolarHBondContact O-N 2.75Å
619M79.4Confident79Confident16 Ų1675.8 Ų75.88%0.07937%0.373CS..  trans-65.5106.7171.9-177.1162.9-175.800110.1V625 A626 L682 M882 L883 V886M619-V625 HydrophobicContact CE-CB 4.28Å; M619-V625 HydrophobicContact CE-CG1 4.12Å; M619-A626 HydrophobicContact CE-CB 3.57Å; M619-L682 HydrophobicContact CE-CD2 3.84Å; M619-L682 HydrophobicContact SD-CD2 3.86Å; M619-M882 WeakPolarHBondContact CB-O 3.1Å; M619-L883 HydrophobicContact SD-CD2 4.46Å; M619-V886 HydrophobicContact CE-CG2 3.52Å; M619-V886 HydrophobicContact SD-CG2 3.23Å; M619-V886 WeakPolarHBondContact SD-CG2 3.07Å
620S80.4Confident79.7Confident26 Ų2675.8 Ų75.818%0.18237%0.367CS..  trans-90.9152.9175.2-171.80000110.6Y618 Y622 E623Y618-S620 PolarHBondContact O-N 2.75Å; S620-Y622 PolarHBondContact O-N 3.47Å; S620-Y622 WeakPolarHBondContact OG-CD2 3.24Å; S620-E623 WeakPolarHBondContact O-CB 3.36Å; S620-E623 PolarHBondContact O-N 2.96Å
621I80.5Confident80.4Confident64 Ų6470.4 Ų70.433%0.32835%0.354SS..THydrogen-bonded Turntrans-58.8-17.5172.7-161.9166000113E623 Q627 A683I621-E623 VanDerWaalsContact C-N 3.32Å; I621-Q627 VanDerWaalsContact O-CG 3.29Å; I621-Q627 WeakPolarHBondContact O-CG 3.46Å; I621-A683 HydrophobicContact CD1-CB 4.29Å
622Y79.9Confident80.9Confident190 Ų19073.1 Ų73.175%0.74537%0.365SS*.THydrogen-bonded Turntrans-77-13.8175.6-59.6-66.3000114.1S620S620-Y622 PolarHBondContact O-N 3.47Å; S620-Y622 WeakPolarHBondContact OG-CD2 3.24Å
623E84.2Confident82Confident86 Ų8668.6 Ų68.640%0.40234%0.343SS..SBendtrans-70.5138.4176.4-70-71.2177.900110.7S620 I621 V625 A626 Q627S620-E623 WeakPolarHBondContact O-CB 3.36Å; S620-E623 PolarHBondContact O-N 2.96Å; I621-E623 VanDerWaalsContact C-N 3.32Å; E623-V625 PolarHBondContact O-N 3.33Å; E623-V625 VanDerWaalsContact O-N 3.12Å; E623-A626 WeakPolarHBondContact O-CB 3.5Å; E623-A626 PolarHBondContact O-N 3.15Å; E623-Q627 PolarHBondContact O-N 3.32Å; E623-Q627 VanDerWaalsContact O-N 3.12Å
624K86.4Confident83.2Confident167 Ų16765.9 Ų65.973%0.72633%0.332SS*.Hα-helixtrans-56.1-34.8-176.3-66.7-178.5179.7178.40113.1S628K624-S628 PolarHBondContact O-N 2.72Å; K624-S628 VanDerWaalsContact O-N 3.12Å; K624-S628 PolarHBondContact O-OG 3.49Å
625V85.9Confident84.5Confident59 Ų5969.3 Ų69.336%0.35835%0.353SS..Hα-helixtrans-64.4-45.2176.7-179.70000110.6M619 E623 S628 F629 L883 V886M619-V625 HydrophobicContact CE-CB 4.28Å; M619-V625 HydrophobicContact CE-CG1 4.12Å; E623-V625 PolarHBondContact O-N 3.33Å; E623-V625 VanDerWaalsContact O-N 3.12Å; V625-S628 PolarHBondContact O-N 3.35Å; V625-F629 HydrophobicContact CG1-CD2 3.87Å; V625-F629 HydrophobicContact CG1-CE2 3.74Å; V625-F629 VanDerWaalsContact O-CD2 3.24Å; V625-F629 WeakPolarHBondContact O-CD2 3.26Å; V625-F629 PolarHBondContact O-N 2.93Å; V625-L883 HydrophobicContact CG1-CD2 4.48Å; V625-V886 HydrophobicContact CG1-CG1 4.26Å; V625-V886 HydrophobicContact CG1-CG2 4.41Å
626A86.1Confident85.6Confident3 Ų367 Ų673%0.02534%0.339CS..Hα-helixtrans-62.4-46.9178.800000111.4M619 E623 S628 F629 F630M619-A626 HydrophobicContact CE-CB 3.57Å; E623-A626 WeakPolarHBondContact O-CB 3.5Å; E623-A626 PolarHBondContact O-N 3.15Å; A626-S628 VanDerWaalsContact C-N 3.28Å; A626-S628 PolarHBondContact O-N 2.83Å; A626-F629 PolarHBondContact O-N 2.9Å; A626-F630 WeakPolarHBondContact O-CB 3.4Å; A626-F630 PolarHBondContact O-N 2.83Å
627Q87.9Confident86.7Confident104 Ų10464.3 Ų64.349%0.48633%0.326SS..Hα-helixtrans-59.1-39.8178.4-65.8178.3-11.300112.3I621 E623 F630 G631I621-Q627 VanDerWaalsContact O-CG 3.29Å; I621-Q627 WeakPolarHBondContact O-CG 3.46Å; E623-Q627 PolarHBondContact O-N 3.32Å; E623-Q627 VanDerWaalsContact O-N 3.12Å; Q627-F630 PolarHBondContact O-N 3.21Å; Q627-G631 PolarHBondContact O-N 2.99Å
628S87.7Confident87.7Confident74 Ų7465.2 Ų65.252%0.51733%0.334SS..Hα-helixtrans-65.3-46.1179-58.40000111.8K624 V625 A626 G631 I632K624-S628 PolarHBondContact O-N 2.72Å; K624-S628 VanDerWaalsContact O-N 3.12Å; K624-S628 PolarHBondContact O-OG 3.49Å; V625-S628 PolarHBondContact O-N 3.35Å; A626-S628 VanDerWaalsContact C-N 3.28Å; A626-S628 PolarHBondContact O-N 2.83Å; S628-G631 PolarHBondContact O-N 2.78Å; S628-I632 WeakPolarHBondContact O-CG1 3.32Å; S628-I632 PolarHBondContact O-N 3.07Å
629F89.1Confident88.4Confident35 Ų3564.8 Ų64.815%0.15434%0.337CS..Hα-helixtrans-65.5-39.9176.6-82.3-66.2000112.7V625 A626 I632 S633 L682 V886 F890 I893V625-F629 HydrophobicContact CG1-CD2 3.87Å; V625-F629 HydrophobicContact CG1-CE2 3.74Å; V625-F629 VanDerWaalsContact O-CD2 3.24Å; V625-F629 WeakPolarHBondContact O-CD2 3.26Å; V625-F629 PolarHBondContact O-N 2.93Å; A626-F629 PolarHBondContact O-N 2.9Å; F629-I632 PolarHBondContact O-N 3.21Å; F629-S633 VanDerWaalsContact O-CB 3.29Å; F629-S633 WeakPolarHBondContact O-CB 3.46Å; F629-S633 PolarHBondContact O-N 3.25Å; F629-L682 HydrophobicContact CB-CD1 3.53Å; F629-L682 HydrophobicContact CD2-CD1 4.27Å; F629-L682 HydrophobicContact CG-CD1 4Å; F629-V886 HydrophobicContact CD2-CG1 4.3Å; F629-V886 HydrophobicContact CE2-CG1 3.63Å; F629-V886 HydrophobicContact CZ-CG1 4.21Å; F629-F890 HydrophobicContact CE1-CB 4.2Å; F629-F890 AromaticContact CE1-CD2 3.7Å; F629-F890 HydrophobicContact CE1-CD2 3.7Å; F629-F890 HydrophobicContact CE1-CG 4.45Å; F629-F890 HydrophobicContact CZ-CB 4.19Å; F629-F890 AromaticContact CZ-CD2 3.78Å; F629-F890 HydrophobicContact CZ-CD2 3.78Å; F629-F890 HydrophobicContact CZ-CG 4.46Å; F629-I893 HydrophobicContact CB-CD1 4.3Å; F629-I893 HydrophobicContact CD1-CD1 4.07Å
630F90.5Very high89.1Confident78 Ų7864 Ų6434%0.34233%0.333SS..Hα-helixtrans-61.6-45.9177.7-159.6-90000111.2A626 Q627 I632 S633 S634 E679A626-F630 WeakPolarHBondContact O-CB 3.4Å; A626-F630 PolarHBondContact O-N 2.83Å; Q627-F630 PolarHBondContact O-N 3.21Å; F630-I632 PolarHBondContact O-N 3.47Å; F630-S633 PolarHBondContact O-N 3.39Å; F630-S634 WeakPolarHBondContact O-CB 3.29Å; F630-S634 PolarHBondContact O-N 3.23Å; F630-S634 PolarHBondContact O-OG 2.92Å; F630-S634 VanDerWaalsContact O-OG 3.12Å; F630-E679 HydrophobicContact CD2-CB 4.34Å; F630-E679 HydrophobicContact CD2-CG 3.95Å; F630-E679 HydrophobicContact CE2-CB 4.13Å; F630-E679 HydrophobicContact CE2-CG 3.99Å
631G91.4Very high89.7Confident36 Ų3666.4 Ų66.437%0.37134%0.344SS..Hα-helixtrans-61.3-42.8177.200000113.9Q627 S628 T635Q627-G631 PolarHBondContact O-N 2.99Å; S628-G631 PolarHBondContact O-N 2.78Å; G631-T635 WeakPolarHBondContact O-CB 3.22Å; G631-T635 PolarHBondContact O-N 3.48Å; G631-T635 VanDerWaalsContact O-N 3.14Å; G631-T635 PolarHBondContact O-OG1 2.93Å
632I90.9Very high90.2Very high94 Ų9467.5 Ų67.548%0.48235%0.349SS..Hα-helixtrans-65.6-46.4177.3-66167.5000110.5S628 F629 F630 G636 I893S628-I632 WeakPolarHBondContact O-CG1 3.32Å; S628-I632 PolarHBondContact O-N 3.07Å; F629-I632 PolarHBondContact O-N 3.21Å; F630-I632 PolarHBondContact O-N 3.47Å; I632-G636 PolarHBondContact O-N 2.97Å; I632-I893 HydrophobicContact CG2-CG2 4.2Å
633S93.3Very high90.7Very high0 Ų058.7 Ų58.70%032%0.315CS..Hα-helixtrans-64.6-46.7-179.4178.80000112F629 F630 T635 G636 L637 Y675 E679F629-S633 VanDerWaalsContact O-CB 3.29Å; F629-S633 WeakPolarHBondContact O-CB 3.46Å; F629-S633 PolarHBondContact O-N 3.25Å; F630-S633 PolarHBondContact O-N 3.39Å; S633-T635 VanDerWaalsContact C-N 3.35Å; S633-T635 PolarHBondContact O-N 3.27Å; S633-G636 CarbonylContact O-C 3.51Å; S633-G636 PolarHBondContact O-N 3.39Å; S633-L637 WeakPolarHBondContact O-CB 3.4Å; S633-L637 PolarHBondContact O-N 3.47Å; S633-Y675 WeakPolarHBondContact OG-CD1 3.22Å; S633-Y675 PolarHBondContact OG-O 3.06Å; S633-E679 VanDerWaalsContact C-OE1 3.3Å; S633-E679 WeakPolarHBondContact CB-OE1 3.28Å; S633-E679 VanDerWaalsContact OG-CD 3.3Å; S633-E679 VanDerWaalsContact OG-CG 3.29Å; S633-E679 WeakPolarHBondContact OG-CG 3.45Å; S633-E679 PolarHBondContact OG-OE1 3.43Å
634S94.5Very high90.9Very high31 Ų3155.3 Ų55.322%0.21730%0.301CS..Hα-helixtrans-64.3-39.7-179.7-68.50000112F630 L637 I638 E679F630-S634 WeakPolarHBondContact O-CB 3.29Å; F630-S634 PolarHBondContact O-N 3.23Å; F630-S634 PolarHBondContact O-OG 2.92Å; F630-S634 VanDerWaalsContact O-OG 3.12Å; S634-L637 PolarHBondContact O-N 3.28Å; S634-I638 WeakPolarHBondContact O-CB 3.44Å; S634-I638 WeakPolarHBondContact O-CD1 3.35Å; S634-I638 VanDerWaalsContact O-CG1 3.22Å; S634-I638 WeakPolarHBondContact O-CG1 3.45Å; S634-I638 PolarHBondContact O-N 3.5Å; S634-E679 WeakPolarHBondContact CA-OE1 3.43Å; S634-E679 PolarHBondContact N-OE1 2.88Å; S634-E679 PolarHBondContact OG-OE1 3.43Å; S634-E679 VanDerWaalsContact OG-OE1 3.09Å
635T93.6Very high91.1Very high84 Ų8452.8 Ų52.852%0.51529%0.294SS..Hα-helixtrans-63.9-44.6174.5-53.70000111G631 S633 L639G631-T635 WeakPolarHBondContact O-CB 3.22Å; G631-T635 PolarHBondContact O-N 3.48Å; G631-T635 VanDerWaalsContact O-N 3.14Å; G631-T635 PolarHBondContact O-OG1 2.93Å; S633-T635 VanDerWaalsContact C-N 3.35Å; S633-T635 PolarHBondContact O-N 3.27Å; T635-L639 HydrophobicContact CG2-CD1 4.11Å; T635-L639 WeakPolarHBondContact O-CB 3.47Å; T635-L639 VanDerWaalsContact O-CG 3.28Å; T635-L639 WeakPolarHBondContact O-CG 3.47Å; T635-L639 PolarHBondContact O-N 3.44Å
636G92.7Very high91.2Very high8 Ų851.5 Ų51.58%0.08229%0.285CS..Hα-helixtrans-61.4-43.6175.700000112.9I632 S633 L639 C640I632-G636 PolarHBondContact O-N 2.97Å; S633-G636 CarbonylContact O-C 3.51Å; S633-G636 PolarHBondContact O-N 3.39Å; G636-L639 PolarHBondContact O-N 2.91Å; G636-C640 WeakPolarHBondContact O-CB 3.38Å; G636-C640 PolarHBondContact O-N 2.89Å
637L94.9Very high91.2Very high26 Ų2652.1 Ų52.114%0.13629%0.289CS..Hα-helixtrans-64.4-48.2178.9-176.766000111.6S633 S634 L639 C640 L641 I672 Y675 I676S633-L637 WeakPolarHBondContact O-CB 3.4Å; S633-L637 PolarHBondContact O-N 3.47Å; S634-L637 PolarHBondContact O-N 3.28Å; L637-L639 PolarHBondContact O-N 3.3Å; L637-C640 PolarHBondContact O-N 3.39Å; L637-L641 HydrophobicContact CG-CD1 4.25Å; L637-L641 WeakPolarHBondContact O-CG 3.43Å; L637-L641 PolarHBondContact O-N 3.13Å; L637-I672 HydrophobicContact CD1-CB 4.47Å; L637-I672 HydrophobicContact CD1-CG1 4.5Å; L637-I672 HydrophobicContact CD1-CG2 4.01Å; L637-Y675 HydrophobicContact CB-CG 4.4Å; L637-I676 HydrophobicContact CD1-CG1 4.14Å; L637-I676 HydrophobicContact CD2-CG1 4.15Å
638I94.9Very high91.1Very high99 Ų9953 Ų5351%0.50830%0.296SS..Hα-helixtrans-60.2-48.2177.8-69.1165.6000110.3S634 C640 L641 I642S634-I638 WeakPolarHBondContact O-CB 3.44Å; S634-I638 WeakPolarHBondContact O-CD1 3.35Å; S634-I638 VanDerWaalsContact O-CG1 3.22Å; S634-I638 WeakPolarHBondContact O-CG1 3.45Å; S634-I638 PolarHBondContact O-N 3.5Å; I638-C640 VanDerWaalsContact C-N 3.31Å; I638-C640 PolarHBondContact O-N 3.26Å; I638-L641 PolarHBondContact O-N 2.96Å; I638-I642 HydrophobicContact CG2-CD1 3.77Å; I638-I642 HydrophobicContact CG2-CG1 4.49Å; I638-I642 VanDerWaalsContact O-CG1 3.3Å; I638-I642 WeakPolarHBondContact O-CG1 3.22Å; I638-I642 PolarHBondContact O-N 3.45Å
639L92.8Very high91Very high80 Ų8057.2 Ų57.242%0.41931%0.305SS..Hα-helixtrans-61-41.8176.8-72.5172.8000111.3T635 G636 L637 I642 V643 F900T635-L639 HydrophobicContact CG2-CD1 4.11Å; T635-L639 WeakPolarHBondContact O-CB 3.47Å; T635-L639 VanDerWaalsContact O-CG 3.28Å; T635-L639 WeakPolarHBondContact O-CG 3.47Å; T635-L639 PolarHBondContact O-N 3.44Å; G636-L639 PolarHBondContact O-N 2.91Å; L637-L639 PolarHBondContact O-N 3.3Å; L639-I642 PolarHBondContact O-N 2.92Å; L639-V643 WeakPolarHBondContact O-CB 3.41Å; L639-V643 WeakPolarHBondContact O-CG2 3.02Å; L639-V643 PolarHBondContact O-N 3.14Å; L639-F900 HydrophobicContact CB-CE1 3.74Å; L639-F900 HydrophobicContact CB-CZ 3.78Å
640C92.7Very high90.8Very high0 Ų060.1 Ų60.10%032%0.315CS..Hα-helixtrans-63.7-41178.2-169.40000112.4G636 L637 I638 V643 S644 F900G636-C640 WeakPolarHBondContact O-CB 3.38Å; G636-C640 PolarHBondContact O-N 2.89Å; L637-C640 PolarHBondContact O-N 3.39Å; I638-C640 VanDerWaalsContact C-N 3.31Å; I638-C640 PolarHBondContact O-N 3.26Å; C640-V643 PolarHBondContact O-N 3.29Å; C640-S644 VanDerWaalsContact O-CB 3.32Å; C640-S644 WeakPolarHBondContact O-CB 3.46Å; C640-S644 PolarHBondContact O-N 3.07Å; C640-S644 PolarHBondContact O-OG 2.95Å; C640-F900 HydrophobicContact CB-CD2 4.14Å; C640-F900 HydrophobicContact CB-CE2 4Å; C640-F900 HydrophobicContact CB-CZ 4.39Å
641L93.1Very high90.3Very high77 Ų7761.2 Ų61.240%0.40332%0.317SS..Hα-helixtrans-66.8-47176.5-71.2172.9000112L637 I638 V643 S644 I645 I672L637-L641 HydrophobicContact CG-CD1 4.25Å; L637-L641 WeakPolarHBondContact O-CG 3.43Å; L637-L641 PolarHBondContact O-N 3.13Å; I638-L641 PolarHBondContact O-N 2.96Å; L641-V643 VanDerWaalsContact C-N 3.29Å; L641-V643 PolarHBondContact O-N 2.93Å; L641-S644 WeakPolarHBondContact O-CB 3.36Å; L641-S644 PolarHBondContact O-N 3.39Å; L641-I645 VanDerWaalsContact O-CG1 3.32Å; L641-I645 WeakPolarHBondContact O-CG1 3.21Å; L641-I645 PolarHBondContact O-N 2.81Å; L641-I672 HydrophobicContact CD2-CD1 3.89Å; L641-I672 HydrophobicContact CD2-CG1 4.42Å
642I92Very high89.8Confident86 Ų8668.7 Ų68.744%0.44134%0.34SS..Hα-helixtrans-57.3-47175.5-68.5167.8000109.9I638 L639 S644 I645 I646I638-I642 HydrophobicContact CG2-CD1 3.77Å; I638-I642 HydrophobicContact CG2-CG1 4.49Å; I638-I642 VanDerWaalsContact O-CG1 3.3Å; I638-I642 WeakPolarHBondContact O-CG1 3.22Å; I638-I642 PolarHBondContact O-N 3.45Å; L639-I642 PolarHBondContact O-N 2.92Å; I642-S644 VanDerWaalsContact C-N 3.34Å; I642-S644 PolarHBondContact O-N 2.98Å; I642-I645 PolarHBondContact O-N 3.15Å; I642-I646 HydrophobicContact CG2-CD1 3.77Å; I642-I646 HydrophobicContact CG2-CG1 4.49Å; I642-I646 VanDerWaalsContact O-CG1 3.26Å; I642-I646 WeakPolarHBondContact O-CG1 3.3Å; I642-I646 PolarHBondContact O-N 3.47Å
643V89.7Confident89.5Confident6 Ų665.3 Ų65.34%0.03632%0.323CS..Hα-helixtrans-65.2-37.1178.91630000112.3L639 C640 L641 I646 C647 F668 F900 I904 L905 I908L639-V643 WeakPolarHBondContact O-CB 3.41Å; L639-V643 WeakPolarHBondContact O-CG2 3.02Å; L639-V643 PolarHBondContact O-N 3.14Å; C640-V643 PolarHBondContact O-N 3.29Å; L641-V643 VanDerWaalsContact C-N 3.29Å; L641-V643 PolarHBondContact O-N 2.93Å; V643-I646 PolarHBondContact O-N 3.16Å; V643-C647 WeakPolarHBondContact O-CB 3.27Å; V643-C647 PolarHBondContact O-N 3.06Å; V643-C647 PolarHBondContact O-SG 3.03Å; V643-F668 HydrophobicContact CG1-CE1 3.79Å; V643-F668 HydrophobicContact CG1-CZ 3.76Å; V643-F900 HydrophobicContact CB-CE2 3.97Å; V643-F900 HydrophobicContact CB-CZ 4.27Å; V643-F900 HydrophobicContact CG1-CE2 3.98Å; V643-F900 HydrophobicContact CG2-CE2 4.09Å; V643-F900 HydrophobicContact CG2-CZ 3.93Å; V643-I904 HydrophobicContact CG1-CG2 3.36Å; V643-L905 HydrophobicContact CG2-CD2 4.45Å; V643-I908 HydrophobicContact CB-CG1 4.2Å; V643-I908 HydrophobicContact CG1-CD1 3.83Å; V643-I908 HydrophobicContact CG1-CG1 3.43Å; V643-I908 VanDerWaalsContact CG1-CG1 3.43Å; V643-I908 HydrophobicContact CG2-CG1 3.92Å; V643-I908 HydrophobicContact CG2-CG2 4.32Å
644S89.3Confident88.8Confident15 Ų1566.8 Ų66.811%0.10533%0.333CS..Hα-helixtrans-62.5-45.6174.1-62.90000110.9C640 L641 I642 I646 C647 I648 F668C640-S644 VanDerWaalsContact O-CB 3.32Å; C640-S644 WeakPolarHBondContact O-CB 3.46Å; C640-S644 PolarHBondContact O-N 3.07Å; C640-S644 PolarHBondContact O-OG 2.95Å; L641-S644 WeakPolarHBondContact O-CB 3.36Å; L641-S644 PolarHBondContact O-N 3.39Å; I642-S644 VanDerWaalsContact C-N 3.34Å; I642-S644 PolarHBondContact O-N 2.98Å; S644-I646 PolarHBondContact O-N 3.14Å; S644-C647 WeakPolarHBondContact O-CB 3.36Å; S644-C647 PolarHBondContact O-N 2.81Å; S644-I648 VanDerWaalsContact O-CG1 3.28Å; S644-I648 WeakPolarHBondContact O-CG1 3.12Å; S644-I648 PolarHBondContact O-N 3.04Å; S644-F668 WeakPolarHBondContact OG-CD1 3.49Å; S644-F668 WeakPolarHBondContact OG-CE1 3.19Å
645I89.8Confident88Confident114 Ų11466.3 Ų66.359%0.58533%0.328SS*.Hα-helixtrans-61.7-44.8176.3-66164.7000110.8L641 I642 C647 I648 K649L641-I645 VanDerWaalsContact O-CG1 3.32Å; L641-I645 WeakPolarHBondContact O-CG1 3.21Å; L641-I645 PolarHBondContact O-N 2.81Å; I642-I645 PolarHBondContact O-N 3.15Å; I645-C647 VanDerWaalsContact C-N 3.33Å; I645-C647 PolarHBondContact O-N 3.21Å; I645-I648 PolarHBondContact O-N 3.11Å; I645-K649 WeakPolarHBondContact O-CB 3.27Å; I645-K649 PolarHBondContact O-N 2.92Å
646I88.5Confident87.2Confident31 Ų3162.9 Ų62.916%0.15931%0.306CS..Hα-helixtrans-62-42.3176.1-66.6167.6000110.4I642 V643 S644 I648 K649 Y650 I908 I911 L912I642-I646 HydrophobicContact CG2-CD1 3.77Å; I642-I646 HydrophobicContact CG2-CG1 4.49Å; I642-I646 VanDerWaalsContact O-CG1 3.26Å; I642-I646 WeakPolarHBondContact O-CG1 3.3Å; I642-I646 PolarHBondContact O-N 3.47Å; V643-I646 PolarHBondContact O-N 3.16Å; S644-I646 PolarHBondContact O-N 3.14Å; I646-I648 VanDerWaalsContact C-N 3.33Å; I646-I648 PolarHBondContact O-N 3.04Å; I646-K649 PolarHBondContact O-N 3.34Å; I646-Y650 HydrophobicContact CG2-CD2 3.76Å; I646-Y650 HydrophobicContact CG2-CE2 4.15Å; I646-Y650 WeakPolarHBondContact O-CD2 3.42Å; I646-Y650 PolarHBondContact O-N 3.41Å; I646-I908 HydrophobicContact CB-CD1 4.33Å; I646-I908 HydrophobicContact CG2-CD1 3.89Å; I646-I911 HydrophobicContact CG2-CG2 4.43Å; I646-L912 HydrophobicContact CD1-CD1 4.23Å; I646-L912 HydrophobicContact CG2-CD2 4.31Å
647C85.2Confident86.4Confident16 Ų1668 Ų6811%0.10833%0.326CS..Hα-helixtrans-63.3-37.7176.9-74.90000112.7V643 S644 I645 Y650 W651 I656 F668 I908V643-C647 WeakPolarHBondContact O-CB 3.27Å; V643-C647 PolarHBondContact O-N 3.06Å; V643-C647 PolarHBondContact O-SG 3.03Å; S644-C647 WeakPolarHBondContact O-CB 3.36Å; S644-C647 PolarHBondContact O-N 2.81Å; I645-C647 VanDerWaalsContact C-N 3.33Å; I645-C647 PolarHBondContact O-N 3.21Å; C647-Y650 CarbonylContact O-C 3.56Å; C647-W651 WeakPolarHBondContact O-CA 3.31Å; C647-W651 WeakPolarHBondContact O-CB 3.42Å; C647-W651 PolarHBondContact O-N 3.37Å; C647-I656 HydrophobicContact CB-CD1 3.95Å; C647-I656 WeakPolarHBondContact O-CD1 3.41Å; C647-F668 HydrophobicContact CB-CE2 4.24Å; C647-F668 HydrophobicContact CB-CZ 4.47Å; C647-I908 VanDerWaalsContact SG-CD1 3.6Å
648I85.6Confident85.2Confident122 Ų12269.6 Ų69.663%0.62634%0.343SS*.Hα-helixtrans-68-43.6174.7-67.6164.8000110.4S644 I645 I646 Y650 W651S644-I648 VanDerWaalsContact O-CG1 3.28Å; S644-I648 WeakPolarHBondContact O-CG1 3.12Å; S644-I648 PolarHBondContact O-N 3.04Å; I645-I648 PolarHBondContact O-N 3.11Å; I646-I648 VanDerWaalsContact C-N 3.33Å; I646-I648 PolarHBondContact O-N 3.04Å; I648-Y650 PolarHBondContact O-N 3.34Å; I648-W651 WeakPolarHBondContact O-CB 3.41Å; I648-W651 PolarHBondContact O-N 2.89Å
649K86.8Confident84.2Confident163 Ų16365 Ų6571%0.70932%0.32SS*.Hα-helixtrans-62.1-44.3177.2-175.1174.5-179.7174.80112I645 I646 W651I645-K649 WeakPolarHBondContact O-CB 3.27Å; I645-K649 PolarHBondContact O-N 2.92Å; I646-K649 PolarHBondContact O-N 3.34Å; K649-W651 VanDerWaalsContact C-N 3.34Å; K649-W651 PolarHBondContact O-N 3Å
650Y85.2Confident83.4Confident96 Ų9661.4 Ų61.438%0.37630%0.301SS..THydrogen-bonded Turntrans-95.524.5-180-67.8-74.9000113.2I646 C647 I648 K652 T653 I911I646-Y650 HydrophobicContact CG2-CD2 3.76Å; I646-Y650 HydrophobicContact CG2-CE2 4.15Å; I646-Y650 WeakPolarHBondContact O-CD2 3.42Å; I646-Y650 PolarHBondContact O-N 3.41Å; C647-Y650 CarbonylContact O-C 3.56Å; I648-Y650 PolarHBondContact O-N 3.34Å; Y650-K652 PolarHBondContact O-N 3.15Å; Y650-T653 HydrophobicContact CD1-CG2 4.07Å; Y650-T653 HydrophobicContact CG-CG2 4.38Å; Y650-T653 VanDerWaalsContact O-CB 3.28Å; Y650-T653 WeakPolarHBondContact O-CB 3.42Å; Y650-T653 VanDerWaalsContact O-CG2 3.29Å; Y650-T653 WeakPolarHBondContact O-CG2 3.34Å; Y650-T653 PolarHBondContact O-N 3.29Å; Y650-T653 PolarHBondContact O-OG1 3.42Å; Y650-I911 HydrophobicContact CD1-CG2 4.45Å; Y650-I911 HydrophobicContact CD2-CG2 3.75Å; Y650-I911 HydrophobicContact CE2-CG2 4.2Å; Y650-I911 HydrophobicContact CG-CG2 3.88Å
651W80.1Confident82.7Confident101 Ų10164 Ų6438%0.38331%0.313SS..THydrogen-bonded Turntrans-64.7-18.1-169.9-16641.8000115.2C647 I648 K649 K661 I665C647-W651 WeakPolarHBondContact O-CA 3.31Å; C647-W651 WeakPolarHBondContact O-CB 3.42Å; C647-W651 PolarHBondContact O-N 3.37Å; I648-W651 WeakPolarHBondContact O-CB 3.41Å; I648-W651 PolarHBondContact O-N 2.89Å; K649-W651 VanDerWaalsContact C-N 3.34Å; K649-W651 PolarHBondContact O-N 3Å; W651-K661 HydrophobicContact CZ2-CB 4.33Å; W651-K661 HydrophobicContact CZ2-CD 4.1Å; W651-K661 WeakPolarHBondContact O-CE 3.43Å; W651-I665 HydrophobicContact CZ2-CD1 4.06Å
652K81Confident82.2Confident194 Ų19464.5 Ų64.584%0.84331%0.313SS*.THydrogen-bonded Turntrans-86-5.8173.8-66.5-176-178.9176.60113.3Y650Y650-K652 PolarHBondContact O-N 3.15Å
653T83.5Confident81.9Confident22 Ų2260.9 Ų60.914%0.13530%0.295CS..SBendtrans-67.7144.5-177.958.30000112.1Y650 I655 I656 K657 N918Y650-T653 HydrophobicContact CD1-CG2 4.07Å; Y650-T653 HydrophobicContact CG-CG2 4.38Å; Y650-T653 VanDerWaalsContact O-CB 3.28Å; Y650-T653 WeakPolarHBondContact O-CB 3.42Å; Y650-T653 VanDerWaalsContact O-CG2 3.29Å; Y650-T653 WeakPolarHBondContact O-CG2 3.34Å; Y650-T653 PolarHBondContact O-N 3.29Å; Y650-T653 PolarHBondContact O-OG1 3.42Å; T653-I655 PolarHBondContact O-N 3.4Å; T653-I656 PolarHBondContact O-N 3.04Å; T653-K657 WeakPolarHBondContact O-CB 3.32Å; T653-K657 PolarHBondContact O-N 3.43Å; T653-K657 VanDerWaalsContact O-N 3.07Å; T653-N918 VanDerWaalsContact CB-ND2 3.35Å; T653-N918 WeakPolarHBondContact CB-ND2 3.33Å; T653-N918 WeakPolarHBondContact CG2-ND2 3.31Å
654P78.2Confident81.7Confident32 Ų3261.2 Ų61.221%0.20830%0.297CS..Hα-helixtrans-54-37.3-177.8-29.738000114A658 R920 I923P654-A658 WeakPolarHBondContact O-CB 3.27Å; P654-A658 PolarHBondContact O-N 3.42Å; P654-R920 HydrophobicContact CB-CG 4.16Å; P654-R920 HydrophobicContact CG-CG 3.87Å; P654-I923 HydrophobicContact CB-CD1 3.44Å; P654-I923 VanDerWaalsContact CB-CD1 3.44Å
655I78.1Confident81.6Confident21 Ų2164.3 Ų64.311%0.10831%0.312CS..Hα-helixtrans-68-43.5-177.1-162.2165.7000113T653 S659 K907 I910 I911 N918 I923T653-I655 PolarHBondContact O-N 3.4Å; I655-S659 PolarHBondContact O-N 2.96Å; I655-K907 HydrophobicContact CD1-CB 4.48Å; I655-I910 HydrophobicContact CD1-CB 3.87Å; I655-I910 HydrophobicContact CD1-CD1 3.7Å; I655-I910 HydrophobicContact CD1-CG1 4.4Å; I655-I910 HydrophobicContact CD1-CG2 3.66Å; I655-I911 HydrophobicContact CG2-CD1 3.84Å; I655-I911 HydrophobicContact CG2-CG1 3.71Å; I655-N918 WeakPolarHBondContact CB-OD1 3.34Å; I655-N918 VanDerWaalsContact CG2-OD1 3.27Å; I655-N918 WeakPolarHBondContact CG2-OD1 3.34Å; I655-N918 PolarHBondContact N-OD1 3Å; I655-I923 HydrophobicContact CB-CD1 3.97Å; I655-I923 VanDerWaalsContact N-CD1 3.32Å
656I78.1Confident81.7Confident11 Ų1160.5 Ų60.56%0.05629%0.293CS..Hα-helixtrans-71.5-40.3178-59.6-176.1000110C647 T653 A658 S659 I911C647-I656 HydrophobicContact CB-CD1 3.95Å; C647-I656 WeakPolarHBondContact O-CD1 3.41Å; T653-I656 PolarHBondContact O-N 3.04Å; I656-A658 VanDerWaalsContact C-N 3.31Å; I656-A658 PolarHBondContact O-N 3.39Å; I656-S659 PolarHBondContact O-N 3.03Å; I656-I911 HydrophobicContact CD1-CD1 3.73Å; I656-I911 HydrophobicContact CG1-CD1 3.85Å
657K75.5Confident81.8Confident117 Ų11759.3 Ų59.351%0.50929%0.286SS..Hα-helixtrans-62.7-37.6178.2-168.7176.1-178.9-179.90112.2T653 S659T653-K657 WeakPolarHBondContact O-CB 3.32Å; T653-K657 PolarHBondContact O-N 3.43Å; T653-K657 VanDerWaalsContact O-N 3.07Å; K657-S659 VanDerWaalsContact C-N 3.34Å
658A69.2Low82.1Confident58 Ų5859.6 Ų59.648%0.47929%0.286SS..Hα-helixtrans-64.4-37.917700000112.4P654 I656 G660P654-A658 WeakPolarHBondContact O-CB 3.27Å; P654-A658 PolarHBondContact O-N 3.42Å; I656-A658 VanDerWaalsContact C-N 3.31Å; I656-A658 PolarHBondContact O-N 3.39Å; A658-G660 PolarHBondContact O-N 3.07Å; A658-G660 VanDerWaalsContact O-N 3.15Å
659S72.9Confident82.5Confident4 Ų458 Ų583%0.02828%0.278CS..THydrogen-bonded Turntrans-68.5-8.7-177.9-174.60000115.3I655 I656 K657 S664 R712 K907I655-S659 PolarHBondContact O-N 2.96Å; I656-S659 PolarHBondContact O-N 3.03Å; K657-S659 VanDerWaalsContact C-N 3.34Å; S659-S664 PolarHBondContact OG-OG 2.77Å; S659-R712 PolarHBondContact OG-NE 3.31Å; S659-R712 PolarHBondContact OG-NH2 3.45Å; S659-K907 PolarHBondContact OG-NZ 3.09Å
660G76.3Confident82.9Confident3 Ų350.2 Ų50.23%0.03124%0.244CC..  trans81.2109.1-170.600000111.6A658 T663 S664 R715A658-G660 PolarHBondContact O-N 3.07Å; A658-G660 VanDerWaalsContact O-N 3.15Å; G660-T663 PolarHBondContact O-OG1 2.79Å; G660-T663 VanDerWaalsContact O-OG1 3.07Å; G660-S664 WeakPolarHBondContact O-CB 3.43Å; G660-S664 PolarHBondContact O-N 3.03Å; G660-S664 VanDerWaalsContact O-N 3.13Å; G660-S664 PolarHBondContact O-OG 3.39Å; G660-R715 VanDerWaalsContact CA-NH1 3.34Å
661K78.6Confident83.4Confident56 Ų5645.7 Ų45.724%0.24323%0.226CC..Hα-helixtrans-63.5-57.2-173.6-68-178.3168.4-161.90111.9W651 T663 S664 I665W651-K661 HydrophobicContact CZ2-CB 4.33Å; W651-K661 HydrophobicContact CZ2-CD 4.1Å; W651-K661 WeakPolarHBondContact O-CE 3.43Å; K661-T663 PolarHBondContact O-N 3.16Å; K661-S664 PolarHBondContact O-N 3.49Å; K661-S664 VanDerWaalsContact O-N 3.13Å; K661-I665 WeakPolarHBondContact O-CG1 3.44Å; K661-I665 PolarHBondContact O-N 3.05Å; K661-I665 VanDerWaalsContact O-N 3.1Å
662E82.7Confident84.1Confident87 Ų8742.3 Ų42.341%0.40722%0.215SC..Hα-helixtrans-63.2-43.3-174.8-49.3-51.2141.700112.1S664 I665 I666 L740E662-S664 VanDerWaalsContact C-N 3.29Å; E662-S664 PolarHBondContact O-N 3.1Å; E662-I665 PolarHBondContact O-N 3.01Å; E662-I666 WeakPolarHBondContact O-CG1 3.48Å; E662-I666 PolarHBondContact O-N 3.23Å; E662-I666 VanDerWaalsContact O-N 3.14Å; E662-L740 HydrophobicContact CB-CD1 3.89Å; E662-L740 HydrophobicContact CB-CD2 3.7Å; E662-L740 HydrophobicContact CB-CG 4.25Å; E662-L740 HydrophobicContact CG-CD1 4Å
663T84.8Confident84.8Confident9 Ų935.8 Ų35.86%0.05519%0.19CC..Hα-helixtrans-64.8-31.9176.551.90000112.8G660 K661 L667 A711 I743G660-T663 PolarHBondContact O-OG1 2.79Å; G660-T663 VanDerWaalsContact O-OG1 3.07Å; K661-T663 PolarHBondContact O-N 3.16Å; T663-L667 WeakPolarHBondContact O-CB 3.45Å; T663-L667 PolarHBondContact O-N 2.73Å; T663-L667 VanDerWaalsContact O-N 3.08Å; T663-A711 HydrophobicContact CG2-CB 4.41Å; T663-I743 HydrophobicContact CG2-CD1 3.98Å
664S86.1Confident85.4Confident13 Ų1334.7 Ų34.79%0.09118%0.183CC..Hα-helixtrans-72.8-36.2176.9-58.20000111.6S659 G660 K661 E662 L667 F668S659-S664 PolarHBondContact OG-OG 2.77Å; G660-S664 WeakPolarHBondContact O-CB 3.43Å; G660-S664 PolarHBondContact O-N 3.03Å; G660-S664 VanDerWaalsContact O-N 3.13Å; G660-S664 PolarHBondContact O-OG 3.39Å; K661-S664 PolarHBondContact O-N 3.49Å; K661-S664 VanDerWaalsContact O-N 3.13Å; E662-S664 VanDerWaalsContact C-N 3.29Å; E662-S664 PolarHBondContact O-N 3.1Å; S664-L667 PolarHBondContact O-N 3.05Å; S664-F668 WeakPolarHBondContact O-CD2 3.33Å; S664-F668 PolarHBondContact O-N 2.59Å
665I88.2Confident86.3Confident81 Ų8133.2 Ų33.242%0.41517%0.173SC..Hα-helixtrans-63.4-45.6175.5-66.7167.4000110.3W651 K661 E662 L667 F668 L669W651-I665 HydrophobicContact CZ2-CD1 4.06Å; K661-I665 WeakPolarHBondContact O-CG1 3.44Å; K661-I665 PolarHBondContact O-N 3.05Å; K661-I665 VanDerWaalsContact O-N 3.1Å; E662-I665 PolarHBondContact O-N 3.01Å; I665-L667 VanDerWaalsContact C-N 3.33Å; I665-L667 PolarHBondContact O-N 3.09Å; I665-F668 PolarHBondContact O-N 2.67Å; I665-L669 WeakPolarHBondContact O-CB 3.48Å; I665-L669 PolarHBondContact O-N 3.49Å
666I90.4Very high87.1Confident34 Ų3436 Ų3617%0.17419%0.188CC..Hα-helixtrans-62.8-41.7177.5-62.8170.8000110.8E662 L669 G670 L704 A708 L740 I743E662-I666 WeakPolarHBondContact O-CG1 3.48Å; E662-I666 PolarHBondContact O-N 3.23Å; E662-I666 VanDerWaalsContact O-N 3.14Å; I666-L669 PolarHBondContact O-N 2.87Å; I666-G670 PolarHBondContact O-N 3.2Å; I666-L704 HydrophobicContact CG2-CD1 4.29Å; I666-L704 HydrophobicContact CG2-CD2 4.05Å; I666-L704 HydrophobicContact CG2-CG 3.76Å; I666-L704 WeakPolarHBondContact O-CD2 3.45Å; I666-A708 HydrophobicContact CG2-CB 4.26Å; I666-L740 HydrophobicContact CD1-CD2 3.67Å; I666-I743 HydrophobicContact CD1-CD1 4.17Å; I666-I743 HydrophobicContact CD1-CG2 3.96Å; I666-I743 HydrophobicContact CG2-CG2 4.16Å
667L91.2Very high87.9Confident5 Ų535.7 Ų35.73%0.02619%0.186CC..Hα-helixtrans-61.3-45175.4-176.164.5000111.9T663 S664 I665 G670 I671 T705 A708 I709 L903 I904T663-L667 WeakPolarHBondContact O-CB 3.45Å; T663-L667 PolarHBondContact O-N 2.73Å; T663-L667 VanDerWaalsContact O-N 3.08Å; S664-L667 PolarHBondContact O-N 3.05Å; I665-L667 VanDerWaalsContact C-N 3.33Å; I665-L667 PolarHBondContact O-N 3.09Å; L667-G670 PolarHBondContact O-N 3.13Å; L667-I671 HydrophobicContact CD1-CD1 4.26Å; L667-I671 HydrophobicContact CG-CD1 3.97Å; L667-I671 VanDerWaalsContact O-CG1 3.29Å; L667-I671 WeakPolarHBondContact O-CG1 3.24Å; L667-I671 PolarHBondContact O-N 2.93Å; L667-T705 HydrophobicContact CD1-CG2 4.27Å; L667-A708 HydrophobicContact CB-CB 4.25Å; L667-I709 HydrophobicContact CD1-CD1 4.37Å; L667-I709 HydrophobicContact CD1-CG1 4.12Å; L667-L903 HydrophobicContact CD2-CD1 4.15Å; L667-I904 HydrophobicContact CD2-CD1 4.47Å
668F92.5Very high88.7Confident23 Ų2330.1 Ų30.110%0.10116%0.162CC..Hα-helixtrans-59.8-45.8174.6-86.3-65.2000112.2V643 S644 C647 S664 I665 G670 I671 I672 I904V643-F668 HydrophobicContact CG1-CE1 3.79Å; V643-F668 HydrophobicContact CG1-CZ 3.76Å; S644-F668 WeakPolarHBondContact OG-CD1 3.49Å; S644-F668 WeakPolarHBondContact OG-CE1 3.19Å; C647-F668 HydrophobicContact CB-CE2 4.24Å; C647-F668 HydrophobicContact CB-CZ 4.47Å; S664-F668 WeakPolarHBondContact O-CD2 3.33Å; S664-F668 PolarHBondContact O-N 2.59Å; I665-F668 PolarHBondContact O-N 2.67Å; F668-G670 VanDerWaalsContact C-N 3.27Å; F668-G670 PolarHBondContact O-N 3.39Å; F668-I671 PolarHBondContact O-N 3.12Å; F668-I672 WeakPolarHBondContact O-CB 3.46Å; F668-I672 VanDerWaalsContact O-CG1 3.26Å; F668-I672 WeakPolarHBondContact O-CG1 2.99Å; F668-I672 PolarHBondContact O-N 3.06Å; F668-I904 HydrophobicContact CD1-CD1 3.9Å; F668-I904 HydrophobicContact CE1-CD1 3.59Å; F668-I904 HydrophobicContact CE1-CG1 4.31Å; F668-I904 HydrophobicContact CE1-CG2 3.69Å; F668-I904 HydrophobicContact CE2-CD1 4.47Å; F668-I904 HydrophobicContact CG-CD1 4.48Å; F668-I904 HydrophobicContact CZ-CB 4.47Å; F668-I904 HydrophobicContact CZ-CD1 3.9Å; F668-I904 HydrophobicContact CZ-CG1 4.17Å; F668-I904 HydrophobicContact CZ-CG2 3.48Å; F668-I904 VanDerWaalsContact CZ-CG2 3.48Å
669L93.3Very high89.8Confident88 Ų8828.7 Ų28.746%0.46115%0.145SC..Hα-helixtrans-58.6-42.1177.3-178.264.2000111I665 I666 I672 L673 L704I665-L669 WeakPolarHBondContact O-CB 3.48Å; I665-L669 PolarHBondContact O-N 3.49Å; I666-L669 PolarHBondContact O-N 2.87Å; L669-I672 PolarHBondContact O-N 3.27Å; L669-L673 HydrophobicContact CD1-CD1 4.18Å; L669-L673 HydrophobicContact CD1-CG 4.34Å; L669-L673 HydrophobicContact CG-CD1 3.99Å; L669-L673 WeakPolarHBondContact O-CB 3.23Å; L669-L673 VanDerWaalsContact O-CG 3.23Å; L669-L673 WeakPolarHBondContact O-CG 3.18Å; L669-L673 PolarHBondContact O-N 3.16Å; L669-L704 HydrophobicContact CB-CD2 4.1Å; L669-L704 HydrophobicContact CD2-CD2 4.25Å; L669-L704 HydrophobicContact CG-CD2 4.07Å
670G95Very high90.7Very high0 Ų031 Ų310%016%0.157CC..Hα-helixtrans-65.7-45178.800000112.6I666 L667 F668 L673 S674I666-G670 PolarHBondContact O-N 3.2Å; L667-G670 PolarHBondContact O-N 3.13Å; F668-G670 VanDerWaalsContact C-N 3.27Å; F668-G670 PolarHBondContact O-N 3.39Å; G670-L673 PolarHBondContact O-N 3.08Å; G670-S674 WeakPolarHBondContact O-CB 3.15Å; G670-S674 PolarHBondContact O-N 3.04Å; G670-S674 PolarHBondContact O-OG 2.73Å
671I95.3Very high91.5Very high0 Ų031 Ų310%016%0.156CC..Hα-helixtrans-62.3-44.7176.8-67.8167.8000110.8L667 F668 S674 Y675 T705 A896 E899 F900 I904L667-I671 HydrophobicContact CD1-CD1 4.26Å; L667-I671 HydrophobicContact CG-CD1 3.97Å; L667-I671 VanDerWaalsContact O-CG1 3.29Å; L667-I671 WeakPolarHBondContact O-CG1 3.24Å; L667-I671 PolarHBondContact O-N 2.93Å; F668-I671 PolarHBondContact O-N 3.12Å; I671-S674 PolarHBondContact O-N 3.03Å; I671-Y675 HydrophobicContact CG2-CD2 3.91Å; I671-Y675 HydrophobicContact CG2-CE2 3.61Å; I671-Y675 VanDerWaalsContact O-CD2 3.25Å; I671-Y675 WeakPolarHBondContact O-CD2 3.37Å; I671-Y675 PolarHBondContact O-N 3.4Å; I671-Y675 VanDerWaalsContact O-N 3.09Å; I671-T705 HydrophobicContact CG1-CG2 4.37Å; I671-A896 HydrophobicContact CG2-CB 4.14Å; I671-E899 HydrophobicContact CD1-CB 3.89Å; I671-E899 HydrophobicContact CG1-CB 4.18Å; I671-E899 WeakPolarHBondContact CG1-OE2 3.14Å; I671-F900 HydrophobicContact CD1-CB 4.45Å; I671-F900 HydrophobicContact CG2-CB 4.22Å; I671-I904 HydrophobicContact CD1-CD1 3.44Å; I671-I904 VanDerWaalsContact CD1-CD1 3.44Å
672I95.5Very high92Very high30 Ų3028.7 Ų28.715%0.15415%0.147CC..Hα-helixtrans-62.3-47.3177.9-71166.3000110.5L637 L641 F668 L669 S674 Y675 I676L637-I672 HydrophobicContact CD1-CB 4.47Å; L637-I672 HydrophobicContact CD1-CG1 4.5Å; L637-I672 HydrophobicContact CD1-CG2 4.01Å; L641-I672 HydrophobicContact CD2-CD1 3.89Å; L641-I672 HydrophobicContact CD2-CG1 4.42Å; F668-I672 WeakPolarHBondContact O-CB 3.46Å; F668-I672 VanDerWaalsContact O-CG1 3.26Å; F668-I672 WeakPolarHBondContact O-CG1 2.99Å; F668-I672 PolarHBondContact O-N 3.06Å; L669-I672 PolarHBondContact O-N 3.27Å; I672-S674 VanDerWaalsContact C-N 3.32Å; I672-S674 PolarHBondContact O-N 2.9Å; I672-Y675 PolarHBondContact O-N 3.46Å; I672-I676 HydrophobicContact CG2-CD1 3.75Å; I672-I676 WeakPolarHBondContact O-CG1 3.3Å; I672-I676 PolarHBondContact O-N 3.08Å
673L95.9Very high92.2Very high57 Ų5726.3 Ų26.330%0.29814%0.142SC..Hα-helixtrans-63.4-36.6177.5-72.5172.3000112.1L669 G670 S677 F700L669-L673 HydrophobicContact CD1-CD1 4.18Å; L669-L673 HydrophobicContact CD1-CG 4.34Å; L669-L673 HydrophobicContact CG-CD1 3.99Å; L669-L673 WeakPolarHBondContact O-CB 3.23Å; L669-L673 VanDerWaalsContact O-CG 3.23Å; L669-L673 WeakPolarHBondContact O-CG 3.18Å; L669-L673 PolarHBondContact O-N 3.16Å; G670-L673 PolarHBondContact O-N 3.08Å; L673-S677 VanDerWaalsContact O-CB 3.27Å; L673-S677 WeakPolarHBondContact O-CB 3.21Å; L673-S677 PolarHBondContact O-N 3.28Å; L673-S677 PolarHBondContact O-OG 3.2Å; L673-F700 HydrophobicContact CD1-CE1 4.38Å
674S95.7Very high92.3Very high0 Ų029.6 Ų29.60%016%0.159CC..Hα-helixtrans-64.1-42175.7-69.20000112.8G670 I671 I672 S677 G678 C701G670-S674 WeakPolarHBondContact O-CB 3.15Å; G670-S674 PolarHBondContact O-N 3.04Å; G670-S674 PolarHBondContact O-OG 2.73Å; I671-S674 PolarHBondContact O-N 3.03Å; I672-S674 VanDerWaalsContact C-N 3.32Å; I672-S674 PolarHBondContact O-N 2.9Å; S674-S677 WeakPolarHBondContact CA-OG 3Å; S674-S677 PolarHBondContact O-OG 2.72Å; S674-G678 PolarHBondContact O-N 2.69Å; S674-C701 VanDerWaalsContact OG-CB 3.31Å; S674-C701 WeakPolarHBondContact OG-CB 3.32Å
675Y96.5Very high92.2Very high1 Ų131.8 Ų31.80%0.00417%0.174CC..Hα-helixtrans-64.8-49.5174.6-77.5-57.4000111.9S633 L637 I671 I672 S677 G678 E679 I893 A896 T897S633-Y675 WeakPolarHBondContact OG-CD1 3.22Å; S633-Y675 PolarHBondContact OG-O 3.06Å; L637-Y675 HydrophobicContact CB-CG 4.4Å; I671-Y675 HydrophobicContact CG2-CD2 3.91Å; I671-Y675 HydrophobicContact CG2-CE2 3.61Å; I671-Y675 VanDerWaalsContact O-CD2 3.25Å; I671-Y675 WeakPolarHBondContact O-CD2 3.37Å; I671-Y675 PolarHBondContact O-N 3.4Å; I671-Y675 VanDerWaalsContact O-N 3.09Å; I672-Y675 PolarHBondContact O-N 3.46Å; Y675-S677 VanDerWaalsContact C-N 3.34Å; Y675-S677 PolarHBondContact O-N 3.08Å; Y675-G678 PolarHBondContact O-N 3.4Å; Y675-E679 PolarHBondContact O-N 3.07Å; Y675-E679 VanDerWaalsContact O-N 3.08Å; Y675-I893 HydrophobicContact CD1-CG2 4.44Å; Y675-I893 HydrophobicContact CE1-CG2 4.18Å; Y675-A896 HydrophobicContact CD1-CB 4.38Å; Y675-A896 HydrophobicContact CD2-CB 4.21Å; Y675-A896 HydrophobicContact CE1-CB 4.15Å; Y675-A896 HydrophobicContact CE2-CB 3.99Å; Y675-A896 HydrophobicContact CG-CB 4.41Å; Y675-T897 WeakPolarHBondContact CE1-OG1 3.26Å; Y675-T897 WeakPolarHBondContact OH-CA 3.5Å; Y675-T897 WeakPolarHBondContact OH-CB 2.95Å; Y675-T897 PolarHBondContact OH-N 3.27Å; Y675-T897 PolarHBondContact OH-OG1 2.88Å
676I95.3Very high92.1Very high80 Ų8029 Ų2941%0.4116%0.161SC..Hα-helixtrans-60.8-44-179.9-66.6170.1000111.1L637 I672 E679 L680L637-I676 HydrophobicContact CD1-CG1 4.14Å; L637-I676 HydrophobicContact CD2-CG1 4.15Å; I672-I676 HydrophobicContact CG2-CD1 3.75Å; I672-I676 WeakPolarHBondContact O-CG1 3.3Å; I672-I676 PolarHBondContact O-N 3.08Å; I676-E679 PolarHBondContact O-N 2.65Å; I676-L680 WeakPolarHBondContact O-CB 3.28Å; I676-L680 PolarHBondContact O-N 2.9Å
677S94.8Very high91.9Very high3 Ų329.4 Ų29.42%0.02117%0.167CC..Hα-helixtrans-68.5-40.6179.952.20000112.7L673 S674 Y675 E679 L680 I681 S697 L892L673-S677 VanDerWaalsContact O-CB 3.27Å; L673-S677 WeakPolarHBondContact O-CB 3.21Å; L673-S677 PolarHBondContact O-N 3.28Å; L673-S677 PolarHBondContact O-OG 3.2Å; S674-S677 WeakPolarHBondContact CA-OG 3Å; S674-S677 PolarHBondContact O-OG 2.72Å; Y675-S677 VanDerWaalsContact C-N 3.34Å; Y675-S677 PolarHBondContact O-N 3.08Å; S677-E679 VanDerWaalsContact C-N 3.3Å; S677-E679 PolarHBondContact O-N 3.36Å; S677-L680 PolarHBondContact O-N 3.16Å; S677-I681 WeakPolarHBondContact O-CD1 3.49Å; S677-I681 VanDerWaalsContact O-CG1 3.23Å; S677-I681 WeakPolarHBondContact O-CG1 3.45Å; S677-I681 PolarHBondContact O-N 3.33Å; S677-S697 VanDerWaalsContact CB-CB 3.49Å; S677-L892 WeakPolarHBondContact OG-CD1 3.47Å
678G93.2Very high91.7Very high0 Ų033.6 Ų33.60%019%0.189CC..Hα-helixtrans-59.4-39.5174.400000112.8S674 Y675 L682S674-G678 PolarHBondContact O-N 2.69Å; Y675-G678 PolarHBondContact O-N 3.4Å; G678-L682 WeakPolarHBondContact O-CG 3.47Å; G678-L682 PolarHBondContact O-N 2.92Å
679E91.8Very high91.7Very high28 Ų2838.8 Ų38.813%0.13121%0.211CC..Hα-helixtrans-66.9-45.6173.3-75.9173.6-170.600112.2F630 S633 S634 Y675 I676 S677 I681 L682 A683F630-E679 HydrophobicContact CD2-CB 4.34Å; F630-E679 HydrophobicContact CD2-CG 3.95Å; F630-E679 HydrophobicContact CE2-CB 4.13Å; F630-E679 HydrophobicContact CE2-CG 3.99Å; S633-E679 VanDerWaalsContact C-OE1 3.3Å; S633-E679 WeakPolarHBondContact CB-OE1 3.28Å; S633-E679 VanDerWaalsContact OG-CD 3.3Å; S633-E679 VanDerWaalsContact OG-CG 3.29Å; S633-E679 WeakPolarHBondContact OG-CG 3.45Å; S633-E679 PolarHBondContact OG-OE1 3.43Å; S634-E679 WeakPolarHBondContact CA-OE1 3.43Å; S634-E679 PolarHBondContact N-OE1 2.88Å; S634-E679 PolarHBondContact OG-OE1 3.43Å; S634-E679 VanDerWaalsContact OG-OE1 3.09Å; Y675-E679 PolarHBondContact O-N 3.07Å; Y675-E679 VanDerWaalsContact O-N 3.08Å; I676-E679 PolarHBondContact O-N 2.65Å; S677-E679 VanDerWaalsContact C-N 3.3Å; S677-E679 PolarHBondContact O-N 3.36Å; E679-I681 VanDerWaalsContact C-N 3.32Å; E679-I681 PolarHBondContact O-N 2.86Å; E679-L682 PolarHBondContact O-N 2.87Å; E679-A683 VanDerWaalsContact O-CB 3.23Å; E679-A683 WeakPolarHBondContact O-CB 3.23Å; E679-A683 PolarHBondContact O-N 3.38Å
680L92.4Very high91.6Very high54 Ų5434.6 Ų34.628%0.28319%0.19SC..Hα-helixtrans-62.8-38.4-177.1-165.768.6000112.4I676 S677 L682 L684 F689 I690 F693I676-L680 WeakPolarHBondContact O-CB 3.28Å; I676-L680 PolarHBondContact O-N 2.9Å; S677-L680 PolarHBondContact O-N 3.16Å; L680-L682 VanDerWaalsContact C-N 3.33Å; L680-L682 PolarHBondContact O-N 2.85Å; L680-L684 HydrophobicContact CD1-CD1 3.37Å; L680-L684 HydrophobicContact CD1-CG 4.18Å; L680-L684 HydrophobicContact CG-CD1 3.99Å; L680-L684 PolarHBondContact O-N 2.9Å; L680-F689 HydrophobicContact CD2-CE1 4.25Å; L680-I690 HydrophobicContact CD2-CD1 4.49Å; L680-I690 HydrophobicContact CG-CD1 4.11Å; L680-F693 HydrophobicContact CB-CE1 4.13Å; L680-F693 HydrophobicContact CD2-CD1 3.92Å; L680-F693 HydrophobicContact CD2-CE1 3.57Å; L680-F693 HydrophobicContact CD2-CE2 4.39Å; L680-F693 HydrophobicContact CD2-CG 4.48Å; L680-F693 HydrophobicContact CD2-CZ 3.81Å; L680-F693 HydrophobicContact CG-CE1 4.31Å
681I91.6Very high91.4Very high1 Ų134.6 Ų34.61%0.00519%0.19CC..Hα-helixtrans-64.5-36.9177.5-66.8164.6000111.4S677 E679 F693 A694 L885 S889 L892S677-I681 WeakPolarHBondContact O-CD1 3.49Å; S677-I681 VanDerWaalsContact O-CG1 3.23Å; S677-I681 WeakPolarHBondContact O-CG1 3.45Å; S677-I681 PolarHBondContact O-N 3.33Å; E679-I681 VanDerWaalsContact C-N 3.32Å; E679-I681 PolarHBondContact O-N 2.86Å; I681-F693 HydrophobicContact CG1-CD1 4.23Å; I681-F693 HydrophobicContact CG1-CE1 4.49Å; I681-A694 HydrophobicContact CD1-CB 4.06Å; I681-A694 HydrophobicContact CG1-CB 4.06Å; I681-A694 HydrophobicContact CG2-CB 4.32Å; I681-L885 HydrophobicContact CG2-CB 3.87Å; I681-L885 HydrophobicContact CG2-CD1 4.29Å; I681-L885 HydrophobicContact CG2-CD2 4.2Å; I681-L885 HydrophobicContact CG2-CG 4.35Å; I681-S889 WeakPolarHBondContact CG2-OG 3.26Å; I681-L892 HydrophobicContact CD1-CD1 3.93Å
682L89.5Confident91.2Very high9 Ų935.8 Ų35.85%0.04720%0.196CC..Hα-helixtrans-86.8-29.1-178.3-65.5179.4000113.9M619 F629 G678 E679 L680 V886 S889M619-L682 HydrophobicContact CE-CD2 3.84Å; M619-L682 HydrophobicContact SD-CD2 3.86Å; F629-L682 HydrophobicContact CB-CD1 3.53Å; F629-L682 HydrophobicContact CD2-CD1 4.27Å; F629-L682 HydrophobicContact CG-CD1 4Å; G678-L682 WeakPolarHBondContact O-CG 3.47Å; G678-L682 PolarHBondContact O-N 2.92Å; E679-L682 PolarHBondContact O-N 2.87Å; L680-L682 VanDerWaalsContact C-N 3.33Å; L680-L682 PolarHBondContact O-N 2.85Å; L682-V886 HydrophobicContact CD2-CG2 4.14Å; L682-S889 WeakPolarHBondContact CD2-OG 3.33Å; L682-S889 WeakPolarHBondContact CG-OG 3.48Å
683A86.5Confident91.1Very high36 Ų3636.6 Ų36.630%0.29820%0.198SC..Hα-helixtrans-80.9-31.4-172.500000113.4I621 E679I621-A683 HydrophobicContact CD1-CB 4.29Å; E679-A683 VanDerWaalsContact O-CB 3.23Å; E679-A683 WeakPolarHBondContact O-CB 3.23Å; E679-A683 PolarHBondContact O-N 3.38Å
684L87.4Confident90.9Very high79 Ų7933.9 Ų33.941%0.41418%0.184SC..SBendtrans-102.5145.5-171.7-65177.7000112L680 I690L680-L684 HydrophobicContact CD1-CD1 3.37Å; L680-L684 HydrophobicContact CD1-CG 4.18Å; L680-L684 HydrophobicContact CG-CD1 3.99Å; L680-L684 PolarHBondContact O-N 2.9Å; L684-I690 HydrophobicContact CB-CD1 3.77Å; L684-I690 HydrophobicContact CB-CG1 3.81Å; L684-I690 HydrophobicContact CD1-CD1 3.5Å; L684-I690 HydrophobicContact CD1-CG1 4.25Å; L684-I690 HydrophobicContact CG-CD1 4.24Å
685S83.3Confident90.6Very high59 Ų5934.2 Ų34.241%0.41319%0.186SC..  trans-62.2144.1175.956.70000111.1S687S685-S687 PolarHBondContact O-N 2.7Å
686P86.5Confident90.5Very high21 Ų2136.3 Ų36.314%0.13620%0.195CC..  trans-51.8111174.6-27.635.5000111.4P765 I813 L885P686-P765 HydrophobicContact CB-CB 4.48Å; P686-I813 HydrophobicContact CB-CG2 3.86Å; P686-I813 HydrophobicContact CG-CG2 4.47Å; P686-L885 HydrophobicContact CG-CD1 4.46Å
687S87.2Confident90.4Very high43 Ų4332.6 Ų32.630%0.30118%0.176SC..  trans-131.7165.4178.262.40000108.5S685 F689 I690 C691S685-S687 PolarHBondContact O-N 2.7Å; S687-F689 PolarHBondContact O-N 3.44Å; S687-F689 VanDerWaalsContact O-N 3.13Å; S687-I690 PolarHBondContact O-N 3.29Å; S687-I690 VanDerWaalsContact O-N 3.08Å; S687-I690 WeakPolarHBondContact OG-CG1 3.24Å; S687-I690 PolarHBondContact OG-N 3.38Å; S687-C691 PolarHBondContact O-N 2.84Å; S687-C691 PolarHBondContact O-SG 3.13Å
688L87.6Confident90.3Very high94 Ų9432.6 Ų32.649%0.49218%0.176SC..Hα-helixtrans-52-38.7176.4-177.465.3000111.9N692 P762 I764L688-N692 PolarHBondContact O-N 3.09Å; L688-N692 PolarHBondContact O-ND2 3.29Å; L688-P762 HydrophobicContact CD1-CB 4.4Å; L688-I764 HydrophobicContact CD1-CG1 4.17Å
689F90.7Very high90.2Very high131 Ų13132.6 Ų32.658%0.57518%0.176SC*.Hα-helixtrans-66.4-51.8176.5177.5-103000111.9L680 S687 C691 N692 F693L680-F689 HydrophobicContact CD2-CE1 4.25Å; S687-F689 PolarHBondContact O-N 3.44Å; S687-F689 VanDerWaalsContact O-N 3.13Å; F689-C691 PolarHBondContact O-N 3.34Å; F689-N692 PolarHBondContact O-N 3.34Å; F689-F693 HydrophobicContact CE1-CB 4.44Å; F689-F693 HydrophobicContact CZ-CD2 4.17Å; F689-F693 HydrophobicContact CZ-CG 4.47Å; F689-F693 WeakPolarHBondContact O-CB 3.41Å; F689-F693 PolarHBondContact O-N 3.45Å
690I91.8Very high90.4Very high1 Ų133.4 Ų33.41%0.00518%0.179CC..Hα-helixtrans-66.7-40.1-175.1-61.9-63.7000112.4L680 L684 S687 N692 F693 A694L680-I690 HydrophobicContact CD2-CD1 4.49Å; L680-I690 HydrophobicContact CG-CD1 4.11Å; L684-I690 HydrophobicContact CB-CD1 3.77Å; L684-I690 HydrophobicContact CB-CG1 3.81Å; L684-I690 HydrophobicContact CD1-CD1 3.5Å; L684-I690 HydrophobicContact CD1-CG1 4.25Å; L684-I690 HydrophobicContact CG-CD1 4.24Å; S687-I690 PolarHBondContact O-N 3.29Å; S687-I690 VanDerWaalsContact O-N 3.08Å; S687-I690 WeakPolarHBondContact OG-CG1 3.24Å; S687-I690 PolarHBondContact OG-N 3.38Å; I690-N692 PolarHBondContact O-N 3.47Å; I690-F693 PolarHBondContact O-N 3.48Å; I690-A694 WeakPolarHBondContact O-CB 3.43Å; I690-A694 PolarHBondContact O-N 2.83Å
691C91.1Very high90.5Very high0 Ų031.1 Ų31.10%017%0.168CC..Hα-helixtrans-62.5-43.3178.4-62.50000111.8S687 F689 T763 C815 F816S687-C691 PolarHBondContact O-N 2.84Å; S687-C691 PolarHBondContact O-SG 3.13Å; F689-C691 PolarHBondContact O-N 3.34Å; C691-T763 HydrophobicContact CB-CG2 3.76Å; C691-T763 WeakPolarHBondContact CB-O 3.27Å; C691-C815 WeakPolarHBondContact CA-SG 3.31Å; C691-C815 HydrophobicContact CB-CB 3.66Å; C691-C815 WeakPolarHBondContact CB-SG 3.38Å; C691-C815 VanDerWaalsContact SG-CA 3.58Å; C691-C815 WeakPolarHBondContact SG-CB 3.24Å; C691-C815 CovalentContact SG-SG 2.04Å; C691-C815 PolarHBondContact SG-SG 2.84Å; C691-F816 WeakPolarHBondContact O-CZ 3.31Å
692N91.4Very high90.6Very high24 Ų2431 Ų3113%0.12817%0.167CC..Hα-helixtrans-71.7-39.3175.2-72.3-60.6000112.2L688 F689 I690 A694 I695 F696 P762 T763L688-N692 PolarHBondContact O-N 3.09Å; L688-N692 PolarHBondContact O-ND2 3.29Å; F689-N692 PolarHBondContact O-N 3.34Å; I690-N692 PolarHBondContact O-N 3.47Å; N692-A694 VanDerWaalsContact C-N 3.3Å; N692-A694 PolarHBondContact O-N 3.26Å; N692-I695 PolarHBondContact O-N 3.13Å; N692-F696 WeakPolarHBondContact O-CB 3.11Å; N692-F696 PolarHBondContact O-N 2.8Å; N692-P762 WeakPolarHBondContact OD1-CA 3.08Å; N692-T763 PolarHBondContact ND2-O 3.19Å; N692-T763 PolarHBondContact OD1-N 3.45Å
693F93.1Very high90.8Very high47 Ų4730.6 Ų30.621%0.20617%0.165CC..Hα-helixtrans-62.7-35.4177.9-177.3-96.6000112.3L680 I681 F689 I690 I695 F696 S697L680-F693 HydrophobicContact CB-CE1 4.13Å; L680-F693 HydrophobicContact CD2-CD1 3.92Å; L680-F693 HydrophobicContact CD2-CE1 3.57Å; L680-F693 HydrophobicContact CD2-CE2 4.39Å; L680-F693 HydrophobicContact CD2-CG 4.48Å; L680-F693 HydrophobicContact CD2-CZ 3.81Å; L680-F693 HydrophobicContact CG-CE1 4.31Å; I681-F693 HydrophobicContact CG1-CD1 4.23Å; I681-F693 HydrophobicContact CG1-CE1 4.49Å; F689-F693 HydrophobicContact CE1-CB 4.44Å; F689-F693 HydrophobicContact CZ-CD2 4.17Å; F689-F693 HydrophobicContact CZ-CG 4.47Å; F689-F693 WeakPolarHBondContact O-CB 3.41Å; F689-F693 PolarHBondContact O-N 3.45Å; I690-F693 PolarHBondContact O-N 3.48Å; F693-I695 PolarHBondContact O-N 2.81Å; F693-F696 PolarHBondContact O-N 3.19Å; F693-S697 VanDerWaalsContact O-CB 3.24Å; F693-S697 WeakPolarHBondContact O-CB 3.26Å; F693-S697 PolarHBondContact O-N 3.41Å; F693-S697 PolarHBondContact O-OG 3.03Å
694A91.5Very high91.1Very high0 Ų029.5 Ų29.50%015%0.154CC..Hα-helixtrans-60.9-4217700000112.3I681 I690 N692 S697 V698 F816 L885 L888I681-A694 HydrophobicContact CD1-CB 4.06Å; I681-A694 HydrophobicContact CG1-CB 4.06Å; I681-A694 HydrophobicContact CG2-CB 4.32Å; I690-A694 WeakPolarHBondContact O-CB 3.43Å; I690-A694 PolarHBondContact O-N 2.83Å; N692-A694 VanDerWaalsContact C-N 3.3Å; N692-A694 PolarHBondContact O-N 3.26Å; A694-S697 PolarHBondContact O-OG 3.05Å; A694-V698 WeakPolarHBondContact O-CG2 3.49Å; A694-V698 PolarHBondContact O-N 2.61Å; A694-F816 HydrophobicContact CB-CE2 4.34Å; A694-L885 HydrophobicContact CB-CD2 4.25Å; A694-L888 HydrophobicContact CB-CD1 4.23Å
695I90Very high91.5Very high7 Ų725.8 Ų25.84%0.03614%0.135CC..Hα-helixtrans-67.7-51.3173.5-71.3166.3000110.2N692 F693 S697 G699 L754 T763 F816 T826N692-I695 PolarHBondContact O-N 3.13Å; F693-I695 PolarHBondContact O-N 2.81Å; I695-S697 PolarHBondContact O-N 3.39Å; I695-G699 PolarHBondContact O-N 2.78Å; I695-G699 VanDerWaalsContact O-N 3.17Å; I695-L754 HydrophobicContact CG2-CD2 4.26Å; I695-T763 WeakPolarHBondContact CD1-OG1 3.44Å; I695-F816 HydrophobicContact CD1-CE1 3.42Å; I695-F816 VanDerWaalsContact CD1-CE1 3.42Å; I695-F816 HydrophobicContact CD1-CZ 3.7Å; I695-F816 HydrophobicContact CG1-CE1 3.87Å; I695-F816 HydrophobicContact CG1-CZ 3.64Å; I695-T826 HydrophobicContact CG2-CG2 3.77Å; I695-T826 VanDerWaalsContact CG2-OG1 3.22Å; I695-T826 WeakPolarHBondContact CG2-OG1 3.47Å; I695-T826 WeakPolarHBondContact O-CG2 3.25Å
696F93.1Very high91.9Very high46 Ų4623 Ų2320%0.20212%0.115CC..Hα-helixtrans-57.4-49.9-175.8-179.2-85.8000112.3N692 F693 G699 F700 F751 L754 I755N692-F696 WeakPolarHBondContact O-CB 3.11Å; N692-F696 PolarHBondContact O-N 2.8Å; F693-F696 PolarHBondContact O-N 3.19Å; F696-G699 PolarHBondContact O-N 3.47Å; F696-F700 HydrophobicContact CD1-CB 4.47Å; F696-F700 HydrophobicContact CE1-CB 4.12Å; F696-F700 HydrophobicContact CE1-CG 4.29Å; F696-F700 HydrophobicContact CZ-CB 4.43Å; F696-F700 HydrophobicContact CZ-CG 4.42Å; F696-F700 VanDerWaalsContact O-CB 3.27Å; F696-F700 WeakPolarHBondContact O-CB 3.31Å; F696-F700 PolarHBondContact O-N 3.16Å; F696-F751 HydrophobicContact CE2-CD2 4.06Å; F696-F751 HydrophobicContact CE2-CE2 4.04Å; F696-F751 AromaticContact CZ-CD2 3.85Å; F696-F751 HydrophobicContact CZ-CD2 3.85Å; F696-F751 AromaticContact CZ-CE2 3.78Å; F696-F751 HydrophobicContact CZ-CE2 3.78Å; F696-L754 HydrophobicContact CD2-CB 3.74Å; F696-L754 HydrophobicContact CD2-CD1 3.97Å; F696-L754 HydrophobicContact CD2-CG 4.38Å; F696-L754 HydrophobicContact CE2-CB 4.01Å; F696-L754 HydrophobicContact CE2-CD1 4.14Å; F696-L754 HydrophobicContact CG-CD1 4.36Å; F696-L754 WeakPolarHBondContact O-CD1 3.42Å; F696-I755 HydrophobicContact CE2-CD1 4.37Å
697S93.3Very high92.2Very high2 Ų222 Ų221%0.01411%0.109CC..Hα-helixtrans-66.7-43.5-175.356.90000112.8S677 F693 A694 I695 G699 F700 C701S677-S697 VanDerWaalsContact CB-CB 3.49Å; F693-S697 VanDerWaalsContact O-CB 3.24Å; F693-S697 WeakPolarHBondContact O-CB 3.26Å; F693-S697 PolarHBondContact O-N 3.41Å; F693-S697 PolarHBondContact O-OG 3.03Å; A694-S697 PolarHBondContact O-OG 3.05Å; I695-S697 PolarHBondContact O-N 3.39Å; S697-G699 VanDerWaalsContact C-N 3.34Å; S697-G699 PolarHBondContact O-N 2.75Å; S697-F700 PolarHBondContact O-N 2.48Å; S697-C701 VanDerWaalsContact O-CB 3.29Å; S697-C701 WeakPolarHBondContact O-CB 3.36Å; S697-C701 PolarHBondContact O-N 3.05Å; S697-C701 PolarHBondContact O-SG 3.19Å
698V92.6Very high92.4Very high3 Ų320.1 Ų20.12%0.01810%0.096CC..Hα-helixtrans-60.2-45.3176.7173.90000110.7A694 T702 I827 L888 L891 L892A694-V698 WeakPolarHBondContact O-CG2 3.49Å; A694-V698 PolarHBondContact O-N 2.61Å; V698-T702 WeakPolarHBondContact O-CB 3.28Å; V698-T702 VanDerWaalsContact O-CG2 3.26Å; V698-T702 WeakPolarHBondContact O-CG2 3.13Å; V698-T702 PolarHBondContact O-OG1 3.11Å; V698-I827 HydrophobicContact CG1-CG1 4.33Å; V698-L888 HydrophobicContact CG1-CD2 4.47Å; V698-L888 HydrophobicContact CG2-CB 4.02Å; V698-L888 HydrophobicContact CG2-CD2 4.14Å; V698-L891 HydrophobicContact CG1-CD2 4.01Å; V698-L892 HydrophobicContact CG2-CD1 3.71Å; V698-L892 HydrophobicContact CG2-CD2 4.5Å; V698-L892 HydrophobicContact CG2-CG 3.95Å
699G92.4Very high92.6Very high0 Ų015.7 Ų15.70%07%0.072CC..Hα-helixtrans-66.5-46.5177.500000113.3I695 F696 S697 T702 T703I695-G699 PolarHBondContact O-N 2.78Å; I695-G699 VanDerWaalsContact O-N 3.17Å; F696-G699 PolarHBondContact O-N 3.47Å; S697-G699 VanDerWaalsContact C-N 3.34Å; S697-G699 PolarHBondContact O-N 2.75Å; G699-T702 PolarHBondContact O-OG1 3.23Å; G699-T703 WeakPolarHBondContact O-CB 3.35Å; G699-T703 PolarHBondContact O-N 3.28Å; G699-T703 PolarHBondContact O-OG1 3.1Å
700F94.9Very high92.6Very high45 Ų4510.3 Ų10.320%0.1975%0.05CC..Hα-helixtrans-74.8-49.8-173.4-175.3-102.8000112.9L673 F696 S697 T702 T703 L704 F751 L754L673-F700 HydrophobicContact CD1-CE1 4.38Å; F696-F700 HydrophobicContact CD1-CB 4.47Å; F696-F700 HydrophobicContact CE1-CB 4.12Å; F696-F700 HydrophobicContact CE1-CG 4.29Å; F696-F700 HydrophobicContact CZ-CB 4.43Å; F696-F700 HydrophobicContact CZ-CG 4.42Å; F696-F700 VanDerWaalsContact O-CB 3.27Å; F696-F700 WeakPolarHBondContact O-CB 3.31Å; F696-F700 PolarHBondContact O-N 3.16Å; S697-F700 PolarHBondContact O-N 2.48Å; F700-T702 PolarHBondContact O-N 3.39Å; F700-T703 PolarHBondContact O-N 2.92Å; F700-L704 HydrophobicContact CE1-CD1 4.33Å; F700-L704 HydrophobicContact CZ-CD1 4.16Å; F700-L704 PolarHBondContact O-N 3.14Å; F700-F751 HydrophobicContact CD2-CD2 4.35Å; F700-F751 HydrophobicContact CE2-CB 4.46Å; F700-F751 HydrophobicContact CE2-CD2 4.19Å; F700-L754 HydrophobicContact CB-CD1 3.82Å
701C95.2Very high92.3Very high5 Ų510.3 Ų10.33%0.0345%0.05CC..Hα-helixtrans-65.1-42.1-174.6-55.80000111.3S674 S697 L704 T705 L892S674-C701 VanDerWaalsContact OG-CB 3.31Å; S674-C701 WeakPolarHBondContact OG-CB 3.32Å; S697-C701 VanDerWaalsContact O-CB 3.29Å; S697-C701 WeakPolarHBondContact O-CB 3.36Å; S697-C701 PolarHBondContact O-N 3.05Å; S697-C701 PolarHBondContact O-SG 3.19Å; C701-L704 WeakPolarHBondContact O-CB 3.42Å; C701-L704 PolarHBondContact O-N 3.22Å; C701-T705 PolarHBondContact O-N 3.02Å; C701-T705 VanDerWaalsContact O-N 3.1Å; C701-L892 HydrophobicContact CB-CD2 4.02Å
702T92.7Very high92Very high0 Ų010.8 Ų10.80%05%0.052CC..Hα-helixtrans-68-37.5177610000112.1V698 G699 F700 L704 T705 Y706 P830 F868 L892V698-T702 WeakPolarHBondContact O-CB 3.28Å; V698-T702 VanDerWaalsContact O-CG2 3.26Å; V698-T702 WeakPolarHBondContact O-CG2 3.13Å; V698-T702 PolarHBondContact O-OG1 3.11Å; G699-T702 PolarHBondContact O-OG1 3.23Å; F700-T702 PolarHBondContact O-N 3.39Å; T702-L704 VanDerWaalsContact C-N 3.29Å; T702-L704 PolarHBondContact O-N 2.7Å; T702-T705 PolarHBondContact O-N 3.17Å; T702-T705 PolarHBondContact O-OG1 3.06Å; T702-Y706 WeakPolarHBondContact O-CB 3.12Å; T702-Y706 WeakPolarHBondContact O-CD2 3.3Å; T702-Y706 PolarHBondContact O-N 2.95Å; T702-P830 VanDerWaalsContact OG1-CB 3.31Å; T702-P830 WeakPolarHBondContact OG1-CB 3.45Å; T702-P830 VanDerWaalsContact OG1-CG 3.27Å; T702-P830 WeakPolarHBondContact OG1-CG 3.46Å; T702-F868 HydrophobicContact CG2-CZ 3.94Å; T702-L892 HydrophobicContact CG2-CD2 4.3Å
703T94.2Very high91.7Very high0 Ų09.7 Ų9.70%05%0.046CC..Hα-helixtrans-61.3-40.4172.5-63.20000111.3G699 F700 S707 Q750 I829 P830 L833G699-T703 WeakPolarHBondContact O-CB 3.35Å; G699-T703 PolarHBondContact O-N 3.28Å; G699-T703 PolarHBondContact O-OG1 3.1Å; F700-T703 PolarHBondContact O-N 2.92Å; T703-S707 WeakPolarHBondContact O-CB 3.26Å; T703-S707 PolarHBondContact O-N 3.28Å; T703-S707 PolarHBondContact O-OG 2.96Å; T703-Q750 HydrophobicContact CG2-CB 3.84Å; T703-Q750 HydrophobicContact CG2-CG 4.22Å; T703-Q750 WeakPolarHBondContact OG1-CG 3.37Å; T703-I829 HydrophobicContact CG2-CG2 4.4Å; T703-P830 WeakPolarHBondContact OG1-CG 3.44Å; T703-L833 HydrophobicContact CG2-CD1 3.84Å
704L94Very high91.2Very high13 Ų137.8 Ų7.87%0.0684%0.038CC..Hα-helixtrans-62-44.2178.2-155.697.1000111.7I666 L669 F700 C701 T702 S707 A708I666-L704 HydrophobicContact CG2-CD1 4.29Å; I666-L704 HydrophobicContact CG2-CD2 4.05Å; I666-L704 HydrophobicContact CG2-CG 3.76Å; I666-L704 WeakPolarHBondContact O-CD2 3.45Å; L669-L704 HydrophobicContact CB-CD2 4.1Å; L669-L704 HydrophobicContact CD2-CD2 4.25Å; L669-L704 HydrophobicContact CG-CD2 4.07Å; F700-L704 HydrophobicContact CE1-CD1 4.33Å; F700-L704 HydrophobicContact CZ-CD1 4.16Å; F700-L704 PolarHBondContact O-N 3.14Å; C701-L704 WeakPolarHBondContact O-CB 3.42Å; C701-L704 PolarHBondContact O-N 3.22Å; T702-L704 VanDerWaalsContact C-N 3.29Å; T702-L704 PolarHBondContact O-N 2.7Å; L704-S707 PolarHBondContact O-OG 2.91Å; L704-S707 VanDerWaalsContact O-OG 3.13Å; L704-A708 PolarHBondContact O-N 3.48Å
705T94.1Very high90.7Very high0 Ų010.1 Ų10.10%05%0.047CC..Hα-helixtrans-73.2-46.2179.864.30000112.3L667 I671 C701 T702 A708 I709 E899L667-T705 HydrophobicContact CD1-CG2 4.27Å; I671-T705 HydrophobicContact CG1-CG2 4.37Å; C701-T705 PolarHBondContact O-N 3.02Å; C701-T705 VanDerWaalsContact O-N 3.1Å; T702-T705 PolarHBondContact O-N 3.17Å; T702-T705 PolarHBondContact O-OG1 3.06Å; T705-A708 WeakPolarHBondContact O-CB 3.33Å; T705-A708 PolarHBondContact O-N 3.16Å; T705-I709 VanDerWaalsContact O-CG1 3.31Å; T705-I709 WeakPolarHBondContact O-CG1 3.38Å; T705-I709 PolarHBondContact O-N 3.16Å; T705-E899 WeakPolarHBondContact CB-OE1 3.39Å; T705-E899 WeakPolarHBondContact CB-OE2 3.46Å; T705-E899 WeakPolarHBondContact CG2-OE2 3.34Å; T705-E899 PolarHBondContact OG1-OE1 2.85Å
706Y93Very high90.1Very high0 Ų010.5 Ų10.50%05%0.049CC..Hα-helixtrans-70.2-35-178.7-74.3-63.1000114T702 A708 I709 L710 M834 N864 F868T702-Y706 WeakPolarHBondContact O-CB 3.12Å; T702-Y706 WeakPolarHBondContact O-CD2 3.3Å; T702-Y706 PolarHBondContact O-N 2.95Å; Y706-A708 VanDerWaalsContact C-N 3.27Å; Y706-A708 PolarHBondContact O-N 2.88Å; Y706-I709 HydrophobicContact CD1-CD1 4.33Å; Y706-I709 PolarHBondContact O-N 3.36Å; Y706-L710 WeakPolarHBondContact O-CB 3.33Å; Y706-L710 PolarHBondContact O-N 3.31Å; Y706-M834 HydrophobicContact CD1-CB 4Å; Y706-M834 HydrophobicContact CD1-CG 4.33Å; Y706-M834 HydrophobicContact CD2-CB 4.4Å; Y706-M834 HydrophobicContact CE1-CB 3.84Å; Y706-M834 HydrophobicContact CE1-CG 3.74Å; Y706-M834 HydrophobicContact CE2-CB 4.28Å; Y706-M834 HydrophobicContact CG-CB 4.29Å; Y706-N864 HydrophobicContact CE1-CB 4.38Å; Y706-N864 WeakPolarHBondContact OH-CB 3.48Å; Y706-N864 VanDerWaalsContact OH-CG 3.27Å; Y706-N864 PolarHBondContact OH-ND2 2.81Å; Y706-F868 AromaticContact CE2-CE2 3.55Å; Y706-F868 HydrophobicContact CE2-CE2 3.55Å; Y706-F868 AromaticContact CE2-CZ 3.66Å; Y706-F868 HydrophobicContact CE2-CZ 3.66Å; Y706-F868 AromaticContact CZ-CE2 3.82Å; Y706-F868 WeakPolarHBondContact OH-CE2 3.33Å
707S92.4Very high89.4Confident1 Ų19.1 Ų9.11%0.0074%0.044CC..Hα-helixtrans-62.4-39.1173.561.30000110.8T703 L704 A711T703-S707 WeakPolarHBondContact O-CB 3.26Å; T703-S707 PolarHBondContact O-N 3.28Å; T703-S707 PolarHBondContact O-OG 2.96Å; L704-S707 PolarHBondContact O-OG 2.91Å; L704-S707 VanDerWaalsContact O-OG 3.13Å; S707-A711 VanDerWaalsContact O-CB 3.26Å; S707-A711 WeakPolarHBondContact O-CB 3.36Å; S707-A711 PolarHBondContact O-N 3.24Å
708A91.6Very high88.5Confident3 Ų39.5 Ų9.53%0.0255%0.046CC..Hα-helixtrans-67-43.1173.800000112.7I666 L667 L704 T705 Y706 A711 R712 I743I666-A708 HydrophobicContact CG2-CB 4.26Å; L667-A708 HydrophobicContact CB-CB 4.25Å; L704-A708 PolarHBondContact O-N 3.48Å; T705-A708 WeakPolarHBondContact O-CB 3.33Å; T705-A708 PolarHBondContact O-N 3.16Å; Y706-A708 VanDerWaalsContact C-N 3.27Å; Y706-A708 PolarHBondContact O-N 2.88Å; A708-A711 PolarHBondContact O-N 3.25Å; A708-R712 VanDerWaalsContact O-CB 3.31Å; A708-R712 WeakPolarHBondContact O-CB 3.31Å; A708-R712 PolarHBondContact O-N 3.04Å; A708-I743 HydrophobicContact CB-CD1 4.49Å
709I91.1Very high87.5Confident1 Ų113 Ų131%0.0057%0.065CC..Hα-helixtrans-63.8-42.3176.4-68.3167.4000110.8L667 T705 Y706 R712 S713 L857 V860 E899 L903L667-I709 HydrophobicContact CD1-CD1 4.37Å; L667-I709 HydrophobicContact CD1-CG1 4.12Å; T705-I709 VanDerWaalsContact O-CG1 3.31Å; T705-I709 WeakPolarHBondContact O-CG1 3.38Å; T705-I709 PolarHBondContact O-N 3.16Å; Y706-I709 HydrophobicContact CD1-CD1 4.33Å; Y706-I709 PolarHBondContact O-N 3.36Å; I709-R712 PolarHBondContact O-N 2.88Å; I709-S713 WeakPolarHBondContact O-CB 3.42Å; I709-S713 PolarHBondContact O-N 3.37Å; I709-S713 PolarHBondContact O-OG 2.84Å; I709-L857 HydrophobicContact CG2-CD2 4.01Å; I709-V860 HydrophobicContact CD1-CG1 4.37Å; I709-E899 HydrophobicContact CD1-CG 4.06Å; I709-L903 HydrophobicContact CD1-CD1 4.25Å; I709-L903 HydrophobicContact CG1-CD1 4.2Å
710L90.3Very high86.3Confident18 Ų1815.2 Ų15.29%0.0947%0.074CC..Hα-helixtrans-65.5-46.5177.3178.663.3000111.2Y706 R712 S713 S714 L833 L836 Y840Y706-L710 WeakPolarHBondContact O-CB 3.33Å; Y706-L710 PolarHBondContact O-N 3.31Å; L710-R712 PolarHBondContact O-N 3.09Å; L710-S713 PolarHBondContact O-N 3.12Å; L710-S714 VanDerWaalsContact O-CB 3.28Å; L710-S714 WeakPolarHBondContact O-CB 3.44Å; L710-S714 PolarHBondContact O-N 3.44Å; L710-S714 PolarHBondContact O-OG 2.81Å; L710-L833 HydrophobicContact CD2-CD2 3.7Å; L710-L836 HydrophobicContact CD1-CB 3.91Å; L710-L836 HydrophobicContact CD2-CB 4.25Å; L710-L836 HydrophobicContact CD2-CD1 4.43Å; L710-Y840 HydrophobicContact CD1-CD2 3.55Å; L710-Y840 HydrophobicContact CD1-CE2 4Å; L710-Y840 HydrophobicContact CD1-CG 4.49Å
711A87.3Confident85Confident1 Ų116.8 Ų16.81%0.0088%0.082CC..Hα-helixtrans-58.7-38.8175.400000111.5T663 S707 A708 S714 R715 Q739 I743T663-A711 HydrophobicContact CG2-CB 4.41Å; S707-A711 VanDerWaalsContact O-CB 3.26Å; S707-A711 WeakPolarHBondContact O-CB 3.36Å; S707-A711 PolarHBondContact O-N 3.24Å; A708-A711 PolarHBondContact O-N 3.25Å; A711-S714 WeakPolarHBondContact CA-OG 3.37Å; A711-S714 PolarHBondContact O-OG 3.08Å; A711-R715 VanDerWaalsContact O-CB 3.27Å; A711-R715 WeakPolarHBondContact O-CB 3.27Å; A711-R715 PolarHBondContact O-N 3.03Å; A711-Q739 HydrophobicContact CB-CB 4.13Å; A711-Q739 HydrophobicContact CB-CG 4.24Å; A711-I743 HydrophobicContact CB-CD1 3.67Å; A711-I743 HydrophobicContact CB-CG1 3.87Å
712R83.7Confident83.2Confident11 Ų1120.4 Ų20.44%0.04210%0.1CC..Hα-helixtrans-71-44.4176.8-169171.4176.1-167.5-8112.7S659 A708 I709 L710 R715 I716 E853S659-R712 PolarHBondContact OG-NE 3.31Å; S659-R712 PolarHBondContact OG-NH2 3.45Å; A708-R712 VanDerWaalsContact O-CB 3.31Å; A708-R712 WeakPolarHBondContact O-CB 3.31Å; A708-R712 PolarHBondContact O-N 3.04Å; I709-R712 PolarHBondContact O-N 2.88Å; L710-R712 PolarHBondContact O-N 3.09Å; R712-R715 WeakPolarHBondContact O-CB 3.08Å; R712-R715 PolarHBondContact O-N 2.86Å; R712-I716 HydrophobicContact CG-CD1 4.39Å; R712-I716 WeakPolarHBondContact O-CG1 3.5Å; R712-I716 PolarHBondContact O-N 2.89Å; R712-I716 VanDerWaalsContact O-N 3.07Å; R712-E853 IonicContact CZ-OE1 3.39Å; R712-E853 IonicContact NE-OE1 2.7Å; R712-E853 PolarHBondContact NE-OE1 2.98Å; R712-E853 IonicContact NH2-OE1 3.12Å; R712-E853 PolarHBondContact NH2-OE1 3.21Å; R712-E853 IonicContact NH2-OE2 3.99Å
713S85.8Confident81.3Confident0 Ų025.7 Ų25.70%013%0.129CC..Hα-helixtrans-67.6-41.9-179.3-55.50000111.7I709 L710 I716 N717I709-S713 WeakPolarHBondContact O-CB 3.42Å; I709-S713 PolarHBondContact O-N 3.37Å; I709-S713 PolarHBondContact O-OG 2.84Å; L710-S713 PolarHBondContact O-N 3.12Å; S713-I716 PolarHBondContact O-N 2.83Å; S713-N717 WeakPolarHBondContact O-CB 3.3Å; S713-N717 PolarHBondContact O-N 3.21Å
714S82.5Confident79.3Confident8 Ų833.7 Ų33.76%0.05617%0.166CC..Hα-helixtrans-64.8-42.3174.559.70000111.7L710 A711 I716 N717 S718L710-S714 VanDerWaalsContact O-CB 3.28Å; L710-S714 WeakPolarHBondContact O-CB 3.44Å; L710-S714 PolarHBondContact O-N 3.44Å; L710-S714 PolarHBondContact O-OG 2.81Å; A711-S714 WeakPolarHBondContact CA-OG 3.37Å; A711-S714 PolarHBondContact O-OG 3.08Å; S714-I716 VanDerWaalsContact C-N 3.35Å; S714-I716 PolarHBondContact O-N 3.33Å; S714-N717 PolarHBondContact O-N 3.42Å; S714-S718 WeakPolarHBondContact O-CB 3.3Å; S714-S718 PolarHBondContact O-N 2.9Å; S714-S718 PolarHBondContact O-OG 3.37Å
715R80.1Confident77.2Confident48 Ų4838.3 Ų38.318%0.18119%0.19CC..Hα-helixtrans-55.3-48.5173.3-174.5179176.2-171.2-9.9112.2G660 A711 R712 S718 I719 Q739G660-R715 VanDerWaalsContact CA-NH1 3.34Å; A711-R715 VanDerWaalsContact O-CB 3.27Å; A711-R715 WeakPolarHBondContact O-CB 3.27Å; A711-R715 PolarHBondContact O-N 3.03Å; R712-R715 WeakPolarHBondContact O-CB 3.08Å; R712-R715 PolarHBondContact O-N 2.86Å; R715-S718 PolarHBondContact O-N 2.91Å; R715-I719 HydrophobicContact CG-CD1 4.02Å; R715-I719 VanDerWaalsContact O-CG1 3.29Å; R715-I719 WeakPolarHBondContact O-CG1 3.41Å; R715-I719 PolarHBondContact O-N 3.41Å; R715-Q739 VanDerWaalsContact CB-NE2 3.25Å; R715-Q739 VanDerWaalsContact CG-NE2 3.3Å
716I78.1Confident75.3Confident16 Ų1645.4 Ų45.48%0.08222%0.223CC..Hα-helixtrans-61.6-48.9179.5-67.4167.3000109.4R712 S713 S714 S718 I719 F720 I844 L857R712-I716 HydrophobicContact CG-CD1 4.39Å; R712-I716 WeakPolarHBondContact O-CG1 3.5Å; R712-I716 PolarHBondContact O-N 2.89Å; R712-I716 VanDerWaalsContact O-N 3.07Å; S713-I716 PolarHBondContact O-N 2.83Å; S714-I716 VanDerWaalsContact C-N 3.35Å; S714-I716 PolarHBondContact O-N 3.33Å; I716-S718 PolarHBondContact O-N 2.97Å; I716-I719 PolarHBondContact O-N 3.21Å; I716-F720 HydrophobicContact CG2-CD2 3.92Å; I716-F720 HydrophobicContact CG2-CE2 3.86Å; I716-F720 VanDerWaalsContact O-CD2 3.24Å; I716-F720 WeakPolarHBondContact O-CD2 3.38Å; I716-F720 PolarHBondContact O-N 2.84Å; I716-I844 HydrophobicContact CB-CG2 4.41Å; I716-I844 HydrophobicContact CD1-CD1 4.49Å; I716-I844 HydrophobicContact CG2-CB 4.28Å; I716-I844 HydrophobicContact CG2-CD1 4.29Å; I716-I844 HydrophobicContact CG2-CG2 3.95Å; I716-L857 HydrophobicContact CD1-CD1 3.69Å
717N78Confident73.2Confident16 Ų1653.4 Ų53.49%0.08627%0.265CS..Hα-helixtrans-58.1-45.1178.3-173.772.1000112.5S713 S714 I719 F720 Q721 Y840 I844S713-N717 WeakPolarHBondContact O-CB 3.3Å; S713-N717 PolarHBondContact O-N 3.21Å; S714-N717 PolarHBondContact O-N 3.42Å; N717-I719 VanDerWaalsContact C-N 3.35Å; N717-I719 PolarHBondContact O-N 2.86Å; N717-F720 PolarHBondContact O-N 3.45Å; N717-Q721 PolarHBondContact ND2-NE2 2.97Å; N717-Q721 WeakPolarHBondContact O-CG 3.21Å; N717-Q721 PolarHBondContact O-N 3.01Å; N717-Y840 HydrophobicContact CB-CD1 3.93Å; N717-Y840 HydrophobicContact CB-CE1 4.34Å; N717-I844 HydrophobicContact CB-CG2 3.72Å
718S75.1Confident70.9Confident10 Ų1060.7 Ų60.77%0.0730%0.3CS..Hα-helixtrans-63.8-37.2178.5-64.90000112.8S714 R715 I716 F720 I722S714-S718 WeakPolarHBondContact O-CB 3.3Å; S714-S718 PolarHBondContact O-N 2.9Å; S714-S718 PolarHBondContact O-OG 3.37Å; R715-S718 PolarHBondContact O-N 2.91Å; I716-S718 PolarHBondContact O-N 2.97Å; S718-F720 VanDerWaalsContact C-N 3.33Å; S718-F720 PolarHBondContact O-N 3.41Å; S718-I722 WeakPolarHBondContact O-CD1 3.27Å; S718-I722 VanDerWaalsContact O-CG1 3.25Å; S718-I722 WeakPolarHBondContact O-CG1 3.42Å; S718-I722 PolarHBondContact O-N 3.35Å
719I70.5Confident68.6Low78 Ų7869.7 Ų69.740%0.434%0.339SS..Hα-helixtrans-62.2-41.7176-70.2165.3000110.9R715 I716 N717R715-I719 HydrophobicContact CG-CD1 4.02Å; R715-I719 VanDerWaalsContact O-CG1 3.29Å; R715-I719 WeakPolarHBondContact O-CG1 3.41Å; R715-I719 PolarHBondContact O-N 3.41Å; I716-I719 PolarHBondContact O-N 3.21Å; N717-I719 VanDerWaalsContact C-N 3.35Å; N717-I719 PolarHBondContact O-N 2.86Å
720F68.3Low66.6Low46 Ų4674.4 Ų74.420%0.20237%0.37CS..Hα-helixtrans-77.6-35.2-179-75.5-73.5000113.4I716 N717 S718 I722 N723 V847 F851I716-F720 HydrophobicContact CG2-CD2 3.92Å; I716-F720 HydrophobicContact CG2-CE2 3.86Å; I716-F720 VanDerWaalsContact O-CD2 3.24Å; I716-F720 WeakPolarHBondContact O-CD2 3.38Å; I716-F720 PolarHBondContact O-N 2.84Å; N717-F720 PolarHBondContact O-N 3.45Å; S718-F720 VanDerWaalsContact C-N 3.33Å; S718-F720 PolarHBondContact O-N 3.41Å; F720-I722 VanDerWaalsContact C-N 3.29Å; F720-I722 PolarHBondContact O-N 3.05Å; F720-N723 WeakPolarHBondContact O-CB 3.23Å; F720-N723 PolarHBondContact O-N 2.81Å; F720-N723 VanDerWaalsContact O-N 3.09Å; F720-V847 HydrophobicContact CD1-CG1 4.34Å; F720-V847 HydrophobicContact CD2-CG1 4.05Å; F720-V847 HydrophobicContact CD2-CG2 3.75Å; F720-V847 HydrophobicContact CE1-CG1 3.76Å; F720-V847 HydrophobicContact CE2-CB 4.4Å; F720-V847 HydrophobicContact CE2-CG1 3.44Å; F720-V847 VanDerWaalsContact CE2-CG1 3.44Å; F720-V847 HydrophobicContact CE2-CG2 3.97Å; F720-V847 HydrophobicContact CG-CG1 4.49Å; F720-V847 HydrophobicContact CG-CG2 4.12Å; F720-V847 HydrophobicContact CZ-CG1 3.28Å; F720-V847 HydrophobicContact CZ-CG2 4.48Å; F720-F851 HydrophobicContact CE2-CD2 4.47Å; F720-F851 AromaticContact CZ-CD2 3.76Å; F720-F851 HydrophobicContact CZ-CD2 3.76Å; F720-F851 AromaticContact CZ-CE2 3.78Å; F720-F851 HydrophobicContact CZ-CE2 3.78Å; F720-F851 HydrophobicContact CZ-CG 4.28Å; F720-F851 HydrophobicContact CZ-CZ 4.32Å
721Q66.7Low64.7Low78 Ų7878.9 Ų78.936%0.36439%0.39SS..Hα-helixtrans-66.2-29.5176.8-75.4-171.7-8.600113.4N717 N723 E724 L725N717-Q721 PolarHBondContact ND2-NE2 2.97Å; N717-Q721 WeakPolarHBondContact O-CG 3.21Å; N717-Q721 PolarHBondContact O-N 3.01Å; Q721-N723 PolarHBondContact O-N 3.01Å; Q721-E724 PolarHBondContact O-N 3.48Å; Q721-L725 PolarHBondContact O-N 3.44Å
722I57.8Low62.9Low81 Ų8188.3 Ų88.342%0.41543%0.431SS..Hα-helixtrans-60-29173.6-70.6164.6000111.2S718 F720S718-I722 WeakPolarHBondContact O-CD1 3.27Å; S718-I722 VanDerWaalsContact O-CG1 3.25Å; S718-I722 WeakPolarHBondContact O-CG1 3.42Å; S718-I722 PolarHBondContact O-N 3.35Å; F720-I722 VanDerWaalsContact C-N 3.29Å; F720-I722 PolarHBondContact O-N 3.05Å
723N53.4Low61.5Low111 Ų11191.4 Ų91.459%0.59445%0.448SS*.Hα-helixtrans-81.5-24.9179.2-70.2-8.9000113.5F720 Q721F720-N723 WeakPolarHBondContact O-CB 3.23Å; F720-N723 PolarHBondContact O-N 2.81Å; F720-N723 VanDerWaalsContact O-N 3.09Å; Q721-N723 PolarHBondContact O-N 3.01Å
724E52.5Low60Low167 Ų16793.1 Ų93.178%0.7846%0.459SS*.Hα-helixtrans-85.5-22.1-179.9-73.5-164.2165.300113.7Q721Q721-E724 PolarHBondContact O-N 3.48Å
725L49.4Very low59.3Low110 Ų11094.3 Ų94.358%0.57647%0.473SS*.  trans-129.482.5-174.2-73.9164.2000111.4Q721 L727 M728Q721-L725 PolarHBondContact O-N 3.44Å; L725-L727 PolarHBondContact O-N 3.1Å; L725-M728 PolarHBondContact O-N 2.93Å
726H52.9Low58.8Low150 Ų15097.6 Ų97.669%0.69449%0.491SS*.THydrogen-bonded Turntrans-58.87.8176-85.8-70.1000116.1
727L49Very low58.9Low168 Ų168105.7 Ų105.788%0.8853%0.525SS*.THydrogen-bonded Turntrans-127.88.5-176-78.8167.8000115.8L725L725-L727 PolarHBondContact O-N 3.1Å
728M44.6Very low58.9Low153 Ų153106.4 Ų106.475%0.75453%0.531SS*.SBendtrans-112.2133.8171.4-73.5-161164.900112.6L725L725-M728 PolarHBondContact O-N 2.93Å
729K44.7Very low59.3Low192 Ų192106 Ų10684%0.83553%0.529SS*.PPolyproline II helixtrans-51.2141.5171.1-85.2179.4177.2174.70109.6Q731K729-Q731 PolarHBondContact O-N 3.33Å
730P47.3Very low60.1Low101 Ų101105.2 Ų105.266%0.65653%0.525SS*.PPolyproline II helixtrans-55.5119.1178.722.6-32.4000109.7K732P730-K732 PolarHBondContact O-N 3.35Å
731Q51.7Low61Low112 Ų112108 Ų10852%0.52354%0.541SS..PPolyproline II helixtrans-58.5129.5176.8-73.6-177.4-19.700109.5K729 I733 S734K729-Q731 PolarHBondContact O-N 3.33Å; Q731-I733 PolarHBondContact O-N 2.98Å; Q731-S734 PolarHBondContact O-N 2.83Å; Q731-S734 VanDerWaalsContact O-N 3.13Å
732K49Very low61.9Low198 Ų198107 Ų10786%0.86154%0.538SS*.G310 helixtrans-52.3-21.5-179.1-83.2-176.7175179.10114.2P730 S734 S738P730-K732 PolarHBondContact O-N 3.35Å; K732-S734 PolarHBondContact O-N 3.35Å; K732-S738 PolarHBondContact O-OG 3.49Å; K732-S738 VanDerWaalsContact O-OG 3.1Å
733I53.7Low63.4Low77 Ų77103.4 Ų103.440%0.39552%0.519SS..G310 helixtrans-65-20.7-179.2-64.6168.8000112.6Q731 G735 S738 I742Q731-I733 PolarHBondContact O-N 2.98Å; I733-G735 VanDerWaalsContact C-N 3.29Å; I733-G735 PolarHBondContact O-N 2.95Å; I733-S738 PolarHBondContact O-OG 3.32Å; I733-I742 HydrophobicContact CG2-CD1 4.36Å
734S55.4Low65.2Low35 Ų35100 Ų10025%0.24551%0.51CS..G310 helixtrans-73.4-13.8-175.8-1650000114.9Q731 K732 Q739Q731-S734 PolarHBondContact O-N 2.83Å; Q731-S734 VanDerWaalsContact O-N 3.13Å; K732-S734 PolarHBondContact O-N 3.35Å; S734-Q739 PolarHBondContact O-NE2 2.98Å
735G66.9Low67.1Low34 Ų3496 Ų9635%0.35149%0.493SS..SBendtrans-66141.118000000113.3I733 K737 S738 Q739I733-G735 VanDerWaalsContact C-N 3.29Å; I733-G735 PolarHBondContact O-N 2.95Å; G735-K737 PolarHBondContact O-N 3.43Å; G735-S738 WeakPolarHBondContact CA-OG 3.49Å; G735-S738 PolarHBondContact N-OG 3.3Å; G735-S738 PolarHBondContact O-N 3.24Å; G735-S738 VanDerWaalsContact O-N 3.17Å; G735-S738 PolarHBondContact O-OG 2.97Å; G735-Q739 PolarHBondContact O-N 2.8Å
736Q71.1Confident69.1Low116 Ų11691.9 Ų91.954%0.54247%0.473SS..Hα-helixtrans-60-36.3172.7-71.6177-3.300111.9Q739 L740Q736-Q739 PolarHBondContact O-N 3.48Å; Q736-L740 WeakPolarHBondContact O-CG 3.34Å; Q736-L740 PolarHBondContact O-N 3.43Å; Q736-L740 VanDerWaalsContact O-N 3.11Å
737K78.5Confident71Confident187 Ų18785.4 Ų85.481%0.81345%0.445SS*.Hα-helixtrans-65.1-39.9175-66.5-172.8178.1-175.50112.3G735 L740 L741G735-K737 PolarHBondContact O-N 3.43Å; K737-L740 PolarHBondContact O-N 2.89Å; K737-L741 WeakPolarHBondContact O-CB 3.07Å; K737-L741 PolarHBondContact O-N 3.31Å
738S79.8Confident73.2Confident30 Ų3082.5 Ų82.521%0.2143%0.43CS..Hα-helixtrans-69.3-35.8177.251.70000112K732 I733 G735 L741 I742K732-S738 PolarHBondContact O-OG 3.49Å; K732-S738 VanDerWaalsContact O-OG 3.1Å; I733-S738 PolarHBondContact O-OG 3.32Å; G735-S738 WeakPolarHBondContact CA-OG 3.49Å; G735-S738 PolarHBondContact N-OG 3.3Å; G735-S738 PolarHBondContact O-N 3.24Å; G735-S738 VanDerWaalsContact O-N 3.17Å; G735-S738 PolarHBondContact O-OG 2.97Å; S738-L741 PolarHBondContact O-N 2.84Å; S738-I742 VanDerWaalsContact O-CG1 3.28Å; S738-I742 WeakPolarHBondContact O-CG1 3.26Å; S738-I742 PolarHBondContact O-N 3.06Å
739Q83.5Confident75.5Confident3 Ų379 Ų791%0.01441%0.413CS..Hα-helixtrans-62.3-46.3173.9-77.7156.720.200112.4A711 R715 S734 G735 Q736 L741 I742 I743A711-Q739 HydrophobicContact CB-CB 4.13Å; A711-Q739 HydrophobicContact CB-CG 4.24Å; R715-Q739 VanDerWaalsContact CB-NE2 3.25Å; R715-Q739 VanDerWaalsContact CG-NE2 3.3Å; S734-Q739 PolarHBondContact O-NE2 2.98Å; G735-Q739 PolarHBondContact O-N 2.8Å; Q736-Q739 PolarHBondContact O-N 3.48Å; Q739-L741 VanDerWaalsContact C-N 3.29Å; Q739-L741 PolarHBondContact O-N 2.79Å; Q739-I742 PolarHBondContact O-N 3.14Å; Q739-I743 VanDerWaalsContact O-CG1 3.32Å; Q739-I743 WeakPolarHBondContact O-CG1 3.45Å; Q739-I743 PolarHBondContact O-N 3.16Å
740L86.1Confident77.9Confident60 Ų6069.9 Ų69.931%0.31437%0.374SS..Hα-helixtrans-64.7-35.6176-71170.9000112.3E662 I666 Q736 K737 I743 G744E662-L740 HydrophobicContact CB-CD1 3.89Å; E662-L740 HydrophobicContact CB-CD2 3.7Å; E662-L740 HydrophobicContact CB-CG 4.25Å; E662-L740 HydrophobicContact CG-CD1 4Å; I666-L740 HydrophobicContact CD1-CD2 3.67Å; Q736-L740 WeakPolarHBondContact O-CG 3.34Å; Q736-L740 PolarHBondContact O-N 3.43Å; Q736-L740 VanDerWaalsContact O-N 3.11Å; K737-L740 PolarHBondContact O-N 2.89Å; L740-I743 PolarHBondContact O-N 3.3Å; L740-G744 PolarHBondContact O-N 2.88Å
741L87.1Confident80.1Confident106 Ų10669.6 Ų69.656%0.55536%0.362SS*.Hα-helixtrans-66.5-41.6174.9-174.8148000111.7K737 S738 Q739 G744 I745K737-L741 WeakPolarHBondContact O-CB 3.07Å; K737-L741 PolarHBondContact O-N 3.31Å; S738-L741 PolarHBondContact O-N 2.84Å; Q739-L741 VanDerWaalsContact C-N 3.29Å; Q739-L741 PolarHBondContact O-N 2.79Å; L741-G744 PolarHBondContact O-N 2.02Å; L741-I745 HydrophobicContact CD2-CD1 3.39Å; L741-I745 HydrophobicContact CD2-CG1 4.27Å; L741-I745 HydrophobicContact CG-CD1 4.12Å; L741-I745 WeakPolarHBondContact O-CB 3.34Å; L741-I745 VanDerWaalsContact O-CG1 3.27Å; L741-I745 WeakPolarHBondContact O-CG1 3.15Å; L741-I745 PolarHBondContact O-N 3.11Å
742I85.9Confident82.1Confident57 Ų5768.2 Ų68.229%0.29236%0.357SS..Hα-helixtrans-62-47174.5-68.5162.5000110.4I733 S738 Q739 G744 I745 S746I733-I742 HydrophobicContact CG2-CD1 4.36Å; S738-I742 VanDerWaalsContact O-CG1 3.28Å; S738-I742 WeakPolarHBondContact O-CG1 3.26Å; S738-I742 PolarHBondContact O-N 3.06Å; Q739-I742 PolarHBondContact O-N 3.14Å; I742-G744 PolarHBondContact O-N 2.88Å; I742-I745 PolarHBondContact O-N 3.23Å; I742-S746 WeakPolarHBondContact O-CB 3.35Å; I742-S746 PolarHBondContact O-N 3.47Å; I742-S746 PolarHBondContact O-OG 3.16Å
743I89.7Confident84.1Confident5 Ų561.1 Ų61.13%0.02633%0.328CS..Hα-helixtrans-57.8-50.3176.3-68.3165.7000110.6T663 I666 A708 A711 Q739 L740 I745 S746 C747T663-I743 HydrophobicContact CG2-CD1 3.98Å; I666-I743 HydrophobicContact CD1-CD1 4.17Å; I666-I743 HydrophobicContact CD1-CG2 3.96Å; I666-I743 HydrophobicContact CG2-CG2 4.16Å; A708-I743 HydrophobicContact CB-CD1 4.49Å; A711-I743 HydrophobicContact CB-CD1 3.67Å; A711-I743 HydrophobicContact CB-CG1 3.87Å; Q739-I743 VanDerWaalsContact O-CG1 3.32Å; Q739-I743 WeakPolarHBondContact O-CG1 3.45Å; Q739-I743 PolarHBondContact O-N 3.16Å; L740-I743 PolarHBondContact O-N 3.3Å; I743-I745 PolarHBondContact O-N 3.46Å; I743-S746 PolarHBondContact O-N 3.31Å; I743-C747 WeakPolarHBondContact O-CB 3.44Å; I743-C747 PolarHBondContact O-N 3Å; I743-C747 PolarHBondContact O-SG 2.86Å
744G90.9Very high85.9Confident38 Ų3857.4 Ų57.439%0.39231%0.31SS..Hα-helixtrans-59.7-45.5-179.800000112.4L740 L741 I742 C747 L748L740-G744 PolarHBondContact O-N 2.88Å; L741-G744 PolarHBondContact O-N 2.02Å; I742-G744 PolarHBondContact O-N 2.88Å; G744-C747 PolarHBondContact O-N 2.96Å; G744-L748 WeakPolarHBondContact O-CB 3.5Å; G744-L748 PolarHBondContact O-N 3.29Å
745I91.9Very high87.6Confident85 Ų8559.3 Ų59.344%0.43632%0.316SS..Hα-helixtrans-63.7-47.3177.2-70.6176.2000110.9L741 I742 I743 C747 L748 I749L741-I745 HydrophobicContact CD2-CD1 3.39Å; L741-I745 HydrophobicContact CD2-CG1 4.27Å; L741-I745 HydrophobicContact CG-CD1 4.12Å; L741-I745 WeakPolarHBondContact O-CB 3.34Å; L741-I745 VanDerWaalsContact O-CG1 3.27Å; L741-I745 WeakPolarHBondContact O-CG1 3.15Å; L741-I745 PolarHBondContact O-N 3.11Å; I742-I745 PolarHBondContact O-N 3.23Å; I743-I745 PolarHBondContact O-N 3.46Å; I745-C747 VanDerWaalsContact C-N 3.34Å; I745-C747 PolarHBondContact O-N 3.4Å; I745-L748 PolarHBondContact O-N 3.34Å; I745-I749 HydrophobicContact CG2-CD1 3.63Å; I745-I749 HydrophobicContact CG2-CG1 4.27Å; I745-I749 WeakPolarHBondContact O-CB 3.27Å; I745-I749 VanDerWaalsContact O-CG1 3.27Å; I745-I749 WeakPolarHBondContact O-CG1 3.46Å; I745-I749 PolarHBondContact O-N 2.97Å
746S91.9Very high88.8Confident22 Ų2261.8 Ų61.815%0.15432%0.32CS..Hα-helixtrans-60.4-43.4178.4-65.60000112I742 I743 Q750I742-S746 WeakPolarHBondContact O-CB 3.35Å; I742-S746 PolarHBondContact O-N 3.47Å; I742-S746 PolarHBondContact O-OG 3.16Å; I743-S746 PolarHBondContact O-N 3.31Å; S746-Q750 WeakPolarHBondContact O-CB 3.25Å; S746-Q750 PolarHBondContact O-N 3.44Å; S746-Q750 VanDerWaalsContact O-N 3.1Å
747C93.4Very high89.6Confident15 Ų1557.1 Ų57.110%0.10130%0.299CS..Hα-helixtrans-68.7-37.8177.7-63.50000112.2I743 G744 I745 Q750 F751I743-C747 WeakPolarHBondContact O-CB 3.44Å; I743-C747 PolarHBondContact O-N 3Å; I743-C747 PolarHBondContact O-SG 2.86Å; G744-C747 PolarHBondContact O-N 2.96Å; I745-C747 VanDerWaalsContact C-N 3.34Å; I745-C747 PolarHBondContact O-N 3.4Å; C747-Q750 PolarHBondContact O-N 3.06Å; C747-F751 VanDerWaalsContact O-CB 3.25Å; C747-F751 WeakPolarHBondContact O-CB 3.41Å; C747-F751 PolarHBondContact O-N 3.27Å
748L93.9Very high90.1Very high107 Ų10749.6 Ų49.656%0.5627%0.27SS*.Hα-helixtrans-68.6-42.5178.7-176.2132.2000111.8G744 I745 F751 I752G744-L748 WeakPolarHBondContact O-CB 3.5Å; G744-L748 PolarHBondContact O-N 3.29Å; I745-L748 PolarHBondContact O-N 3.34Å; L748-F751 PolarHBondContact O-N 2.82Å; L748-I752 HydrophobicContact CD2-CD1 3.65Å; L748-I752 HydrophobicContact CG-CD1 4.16Å; L748-I752 VanDerWaalsContact O-CG1 3.29Å; L748-I752 WeakPolarHBondContact O-CG1 3.48Å; L748-I752 PolarHBondContact O-N 3.33Å
749I93.6Very high90.4Very high79 Ų7952.4 Ų52.441%0.40529%0.289SS..Hα-helixtrans-60.6-47.4174-68.4169.6000110.1I745 F751 I752 I753 I829I745-I749 HydrophobicContact CG2-CD1 3.63Å; I745-I749 HydrophobicContact CG2-CG1 4.27Å; I745-I749 WeakPolarHBondContact O-CB 3.27Å; I745-I749 VanDerWaalsContact O-CG1 3.27Å; I745-I749 WeakPolarHBondContact O-CG1 3.46Å; I745-I749 PolarHBondContact O-N 2.97Å; I749-F751 PolarHBondContact O-N 3.47Å; I749-I752 PolarHBondContact O-N 3.5Å; I749-I753 HydrophobicContact CG2-CD1 3.79Å; I749-I753 WeakPolarHBondContact O-CG1 3.27Å; I749-I753 PolarHBondContact O-N 2.89Å; I749-I829 HydrophobicContact CG2-CD1 3.76Å
750Q94.3Very high90.6Very high0 Ų058.3 Ų58.30%032%0.32CS..Hα-helixtrans-61.8-44177.6-176.5689.100111.9T703 S746 C747 I752 I753 L754 T826 I829T703-Q750 HydrophobicContact CG2-CB 3.84Å; T703-Q750 HydrophobicContact CG2-CG 4.22Å; T703-Q750 WeakPolarHBondContact OG1-CG 3.37Å; S746-Q750 WeakPolarHBondContact O-CB 3.25Å; S746-Q750 PolarHBondContact O-N 3.44Å; S746-Q750 VanDerWaalsContact O-N 3.1Å; C747-Q750 PolarHBondContact O-N 3.06Å; Q750-I752 PolarHBondContact O-N 3.49Å; Q750-I753 PolarHBondContact O-N 3.19Å; Q750-L754 HydrophobicContact CG-CD1 3.89Å; Q750-L754 HydrophobicContact CG-CG 4.28Å; Q750-L754 WeakPolarHBondContact O-CB 3.31Å; Q750-L754 VanDerWaalsContact O-CG 3.25Å; Q750-L754 WeakPolarHBondContact O-CG 3.37Å; Q750-L754 PolarHBondContact O-N 3.34Å; Q750-T826 PolarHBondContact NE2-O 3.47Å; Q750-I829 VanDerWaalsContact OE1-CB 3.25Å; Q750-I829 VanDerWaalsContact OE1-CD1 3.32Å
751F94.1Very high90.5Very high95 Ų9557.7 Ų57.742%0.41732%0.318SS..Hα-helixtrans-59.7-45.2178.6-177-94.9000111.5F696 F700 C747 L748 I749 L754 I755F696-F751 HydrophobicContact CE2-CD2 4.06Å; F696-F751 HydrophobicContact CE2-CE2 4.04Å; F696-F751 AromaticContact CZ-CD2 3.85Å; F696-F751 HydrophobicContact CZ-CD2 3.85Å; F696-F751 AromaticContact CZ-CE2 3.78Å; F696-F751 HydrophobicContact CZ-CE2 3.78Å; F700-F751 HydrophobicContact CD2-CD2 4.35Å; F700-F751 HydrophobicContact CE2-CB 4.46Å; F700-F751 HydrophobicContact CE2-CD2 4.19Å; C747-F751 VanDerWaalsContact O-CB 3.25Å; C747-F751 WeakPolarHBondContact O-CB 3.41Å; C747-F751 PolarHBondContact O-N 3.27Å; L748-F751 PolarHBondContact O-N 2.82Å; I749-F751 PolarHBondContact O-N 3.47Å; F751-L754 PolarHBondContact O-N 3.22Å; F751-I755 HydrophobicContact CD1-CG1 4.16Å; F751-I755 HydrophobicContact CE1-CD1 4.41Å; F751-I755 HydrophobicContact CE1-CG1 3.82Å; F751-I755 HydrophobicContact CE2-CG1 4.44Å; F751-I755 HydrophobicContact CZ-CD1 4.09Å; F751-I755 HydrophobicContact CZ-CG1 3.98Å; F751-I755 VanDerWaalsContact O-CG1 3.29Å; F751-I755 WeakPolarHBondContact O-CG1 3.24Å; F751-I755 PolarHBondContact O-N 3.45Å
752I93.3Very high90.4Very high83 Ų8355.5 Ų55.543%0.42631%0.311SS..Hα-helixtrans-61.6-47176.8-68.5167.3000111L748 I749 Q750 L754 I755 I756L748-I752 HydrophobicContact CD2-CD1 3.65Å; L748-I752 HydrophobicContact CG-CD1 4.16Å; L748-I752 VanDerWaalsContact O-CG1 3.29Å; L748-I752 WeakPolarHBondContact O-CG1 3.48Å; L748-I752 PolarHBondContact O-N 3.33Å; I749-I752 PolarHBondContact O-N 3.5Å; Q750-I752 PolarHBondContact O-N 3.49Å; I752-L754 VanDerWaalsContact C-N 3.32Å; I752-L754 PolarHBondContact O-N 3.47Å; I752-I755 PolarHBondContact O-N 3.16Å; I752-I756 HydrophobicContact CG2-CD1 3.72Å; I752-I756 HydrophobicContact CG2-CG1 4.4Å; I752-I756 WeakPolarHBondContact O-CB 3.26Å; I752-I756 VanDerWaalsContact O-CG1 3.27Å; I752-I756 WeakPolarHBondContact O-CG1 3.44Å; I752-I756 PolarHBondContact O-N 3.44Å
753I91.5Very high90.4Very high49 Ų4953.4 Ų53.425%0.25130%0.3SS..Hα-helixtrans-59.8-44.3178.4-71.4165.3000110.9I749 Q750 I756 I757 I825 I829I749-I753 HydrophobicContact CG2-CD1 3.79Å; I749-I753 WeakPolarHBondContact O-CG1 3.27Å; I749-I753 PolarHBondContact O-N 2.89Å; Q750-I753 PolarHBondContact O-N 3.19Å; I753-I756 PolarHBondContact O-N 3.06Å; I753-I757 HydrophobicContact CG2-CD1 3.69Å; I753-I757 HydrophobicContact CG2-CG1 4.43Å; I753-I757 VanDerWaalsContact O-CG1 3.28Å; I753-I757 WeakPolarHBondContact O-CG1 3.21Å; I753-I757 PolarHBondContact O-N 2.64Å; I753-I825 HydrophobicContact CG2-CG2 4.31Å; I753-I829 HydrophobicContact CD1-CD1 3.4Å
754L92.3Very high90Very high0 Ų058.4 Ų58.40%033%0.326CS..Hα-helixtrans-63.5-43.1178.6-75.2174.2000112.5I695 F696 F700 Q750 F751 I752 I757 C758 T826I695-L754 HydrophobicContact CG2-CD2 4.26Å; F696-L754 HydrophobicContact CD2-CB 3.74Å; F696-L754 HydrophobicContact CD2-CD1 3.97Å; F696-L754 HydrophobicContact CD2-CG 4.38Å; F696-L754 HydrophobicContact CE2-CB 4.01Å; F696-L754 HydrophobicContact CE2-CD1 4.14Å; F696-L754 HydrophobicContact CG-CD1 4.36Å; F696-L754 WeakPolarHBondContact O-CD1 3.42Å; F700-L754 HydrophobicContact CB-CD1 3.82Å; Q750-L754 HydrophobicContact CG-CD1 3.89Å; Q750-L754 HydrophobicContact CG-CG 4.28Å; Q750-L754 WeakPolarHBondContact O-CB 3.31Å; Q750-L754 VanDerWaalsContact O-CG 3.25Å; Q750-L754 WeakPolarHBondContact O-CG 3.37Å; Q750-L754 PolarHBondContact O-N 3.34Å; F751-L754 PolarHBondContact O-N 3.22Å; I752-L754 VanDerWaalsContact C-N 3.32Å; I752-L754 PolarHBondContact O-N 3.47Å; L754-I757 PolarHBondContact O-N 3.4Å; L754-C758 WeakPolarHBondContact O-CB 3.43Å; L754-C758 PolarHBondContact O-N 2.59Å; L754-C758 PolarHBondContact O-SG 2.87Å; L754-T826 HydrophobicContact CD2-CG2 3.43Å; L754-T826 VanDerWaalsContact CD2-CG2 3.43Å
755I91.1Very high89.6Confident75 Ų7558.4 Ų58.439%0.38532%0.319SS..Hα-helixtrans-64-42.7176.5-68.1-66.3000110.8F696 F751 I752 C758 S759F696-I755 HydrophobicContact CE2-CD1 4.37Å; F751-I755 HydrophobicContact CD1-CG1 4.16Å; F751-I755 HydrophobicContact CE1-CD1 4.41Å; F751-I755 HydrophobicContact CE1-CG1 3.82Å; F751-I755 HydrophobicContact CE2-CG1 4.44Å; F751-I755 HydrophobicContact CZ-CD1 4.09Å; F751-I755 HydrophobicContact CZ-CG1 3.98Å; F751-I755 VanDerWaalsContact O-CG1 3.29Å; F751-I755 WeakPolarHBondContact O-CG1 3.24Å; F751-I755 PolarHBondContact O-N 3.45Å; I752-I755 PolarHBondContact O-N 3.16Å; I755-C758 PolarHBondContact O-N 2.91Å; I755-S759 VanDerWaalsContact O-CB 3.25Å; I755-S759 WeakPolarHBondContact O-CB 3.41Å; I755-S759 PolarHBondContact O-N 2.95Å; I755-S759 PolarHBondContact O-OG 3.03Å
756I91.1Very high88.8Confident85 Ų8559.1 Ų59.144%0.43632%0.321SS..Hα-helixtrans-60.8-47.9176.2-70.3171000110.5I752 I753 S759 I760I752-I756 HydrophobicContact CG2-CD1 3.72Å; I752-I756 HydrophobicContact CG2-CG1 4.4Å; I752-I756 WeakPolarHBondContact O-CB 3.26Å; I752-I756 VanDerWaalsContact O-CG1 3.27Å; I752-I756 WeakPolarHBondContact O-CG1 3.44Å; I752-I756 PolarHBondContact O-N 3.44Å; I753-I756 PolarHBondContact O-N 3.06Å; I756-S759 PolarHBondContact O-N 3.28Å; I756-I760 HydrophobicContact CG2-CD1 3.49Å; I756-I760 VanDerWaalsContact CG2-CD1 3.49Å; I756-I760 HydrophobicContact CG2-CG1 4.22Å; I756-I760 WeakPolarHBondContact O-CB 3.37Å; I756-I760 VanDerWaalsContact O-CG1 3.32Å; I756-I760 WeakPolarHBondContact O-CG1 3.42Å; I756-I760 PolarHBondContact O-N 2.8Å
757I88.8Confident87.6Confident19 Ų1961.8 Ų61.810%0.09733%0.333CS..Hα-helixtrans-62.9-45.3179.4-69.1168.8000111.3I753 L754 S759 T761 K822 I825I753-I757 HydrophobicContact CG2-CD1 3.69Å; I753-I757 HydrophobicContact CG2-CG1 4.43Å; I753-I757 VanDerWaalsContact O-CG1 3.28Å; I753-I757 WeakPolarHBondContact O-CG1 3.21Å; I753-I757 PolarHBondContact O-N 2.64Å; L754-I757 PolarHBondContact O-N 3.4Å; I757-S759 VanDerWaalsContact C-N 3.27Å; I757-S759 PolarHBondContact O-N 3.25Å; I757-T761 CarbonylContact O-C 3.59Å; I757-T761 WeakPolarHBondContact O-CA 3.26Å; I757-T761 PolarHBondContact O-N 3.36Å; I757-T761 PolarHBondContact O-OG1 3.11Å; I757-K822 HydrophobicContact CG2-CB 4.29Å; I757-K822 HydrophobicContact CG2-CG 4.44Å; I757-I825 HydrophobicContact CD1-CB 4.24Å; I757-I825 HydrophobicContact CD1-CG2 3.66Å
758C87.7Confident86.2Confident29 Ų2963.2 Ų63.220%0.19634%0.339CS..Hα-helixtrans-66.8-29.7179.2-66.10000112.4L754 I755L754-C758 WeakPolarHBondContact O-CB 3.43Å; L754-C758 PolarHBondContact O-N 2.59Å; L754-C758 PolarHBondContact O-SG 2.87Å; I755-C758 PolarHBondContact O-N 2.91Å
759S87.1Confident84.4Confident88 Ų8861.8 Ų61.862%0.61533%0.331SS*.Hα-helixtrans-83.5-43.4-179.6-55.10000112.8I755 I756 I757I755-S759 VanDerWaalsContact O-CB 3.25Å; I755-S759 WeakPolarHBondContact O-CB 3.41Å; I755-S759 PolarHBondContact O-N 2.95Å; I755-S759 PolarHBondContact O-OG 3.03Å; I756-S759 PolarHBondContact O-N 3.28Å; I757-S759 VanDerWaalsContact C-N 3.27Å; I757-S759 PolarHBondContact O-N 3.25Å
760I87.2Confident82.5Confident128 Ų12859.5 Ų59.566%0.65632%0.323SS*.Hα-helixtrans-77.5-39.8-178.7-61.6178.6000110.6I756I756-I760 HydrophobicContact CG2-CD1 3.49Å; I756-I760 VanDerWaalsContact CG2-CD1 3.49Å; I756-I760 HydrophobicContact CG2-CG1 4.22Å; I756-I760 WeakPolarHBondContact O-CB 3.37Å; I756-I760 VanDerWaalsContact O-CG1 3.32Å; I756-I760 WeakPolarHBondContact O-CG1 3.42Å; I756-I760 PolarHBondContact O-N 2.8Å
761T84.4Confident80.1Confident46 Ų4665 Ų6528%0.28235%0.352SS..SBendtrans-132.869.7-174.856.60000111.5I757 T763 K822I757-T761 CarbonylContact O-C 3.59Å; I757-T761 WeakPolarHBondContact O-CA 3.26Å; I757-T761 PolarHBondContact O-N 3.36Å; I757-T761 PolarHBondContact O-OG1 3.11Å; T761-T763 PolarHBondContact O-N 2.88Å; T761-K822 WeakPolarHBondContact OG1-CD 3.21Å; T761-K822 VanDerWaalsContact OG1-CE 3.29Å; T761-K822 WeakPolarHBondContact OG1-CE 3.42Å
762P85.1Confident77.6Confident61 Ų6166.9 Ų66.940%0.39636%0.357SS..  trans-59.8135.5175.526-34000110.3L688 N692 I764L688-P762 HydrophobicContact CD1-CB 4.4Å; N692-P762 WeakPolarHBondContact OD1-CA 3.08Å; P762-I764 PolarHBondContact O-N 2.9Å
763T85.8Confident75Confident12 Ų1269.6 Ų69.67%0.07437%0.368CS..  trans-82.5107.7177-51.50000109.1C691 N692 I695 T761 C815 F816C691-T763 HydrophobicContact CB-CG2 3.76Å; C691-T763 WeakPolarHBondContact CB-O 3.27Å; N692-T763 PolarHBondContact ND2-O 3.19Å; N692-T763 PolarHBondContact OD1-N 3.45Å; I695-T763 WeakPolarHBondContact CD1-OG1 3.44Å; T761-T763 PolarHBondContact O-N 2.88Å; T763-C815 HydrophobicContact CG2-CB 4.42Å; T763-C815 WeakPolarHBondContact CG2-O 3.45Å; T763-F816 HydrophobicContact CG2-CD1 3.84Å; T763-F816 HydrophobicContact CG2-CE1 3.37Å; T763-F816 HydrophobicContact CG2-CZ 4.11Å
764I80.6Confident72.3Confident110 Ų11070.5 Ų70.556%0.56437%0.373SS*.PPolyproline II helixtrans-91.8132.9179.7-54.8170.7000108.5L688 P762 Q766L688-I764 HydrophobicContact CD1-CG1 4.17Å; P762-I764 PolarHBondContact O-N 2.9Å; I764-Q766 PolarHBondContact O-N 3.48Å
765P82.9Confident69.5Low39 Ų3975.7 Ų75.725%0.25340%0.401SS..PPolyproline II helixtrans-61.4126.5173.426.1-34.4000110.3P686 I813 L814P686-P765 HydrophobicContact CB-CB 4.48Å; P765-I813 HydrophobicContact CB-CG2 3.76Å; P765-L814 CarbonylContact C-O 3.45Å; P765-L814 WeakPolarHBondContact CA-O 3.43Å
766Q74.9Confident66.9Low99 Ų9978 Ų7846%0.46342%0.421SS..EExtended strand (participates in β ladder)trans-101.2128179.6-63.1-169.6-8.200110.1I764 I768 I813 L814I764-Q766 PolarHBondContact O-N 3.48Å; Q766-I768 PolarHBondContact O-N 3.28Å; Q766-I813 WeakPolarHBondContact O-CA 3.42Å; Q766-L814 PolarHBondContact N-O 3.18Å; Q766-L814 PolarHBondContact O-N 3.02Å
767L66.2Low64.1Low78 Ų7882.3 Ų82.341%0.40844%0.439SS..EExtended strand (participates in β ladder)trans-81108.4167.1-17574.5000108I616 L769 N811 I813I616-L767 HydrophobicContact CG1-CD1 4.07Å; L767-L769 HydrophobicContact CD2-CD2 4.09Å; L767-L769 HydrophobicContact CD2-CG 4.29Å; L767-L769 PolarHBondContact O-N 3.33Å; L767-N811 HydrophobicContact CD1-CB 3.77Å; L767-N811 HydrophobicContact CG-CB 4.48Å; L767-I813 HydrophobicContact CD1-CD1 4.22Å; L767-I813 HydrophobicContact CD1-CG1 3.55Å
768I64Low61.6Low46 Ų4686.7 Ų86.724%0.23646%0.462CS..EExtended strand (participates in β ladder)trans-80.8103.4166.3-58.2-170.4000106.8Q766 L812 L814 P817 K880Q766-I768 PolarHBondContact O-N 3.28Å; I768-L812 PolarHBondContact N-O 3.41Å; I768-L812 PolarHBondContact O-N 2.88Å; I768-L814 HydrophobicContact CD1-CD1 3.58Å; I768-L814 HydrophobicContact CG1-CD1 4.27Å; I768-P817 HydrophobicContact CD1-CB 3.93Å; I768-K880 HydrophobicContact CD1-CG 4.42Å
769L56.9Low58.9Low76 Ų7695 Ų9540%0.39850%0.495SS..  trans-64.2140162.5-68.1159.3000107.3L767 D771L767-L769 HydrophobicContact CD2-CD2 4.09Å; L767-L769 HydrophobicContact CD2-CG 4.29Å; L767-L769 PolarHBondContact O-N 3.33Å; L769-D771 PolarHBondContact O-N 2.75Å
770S52.8Low56.6Low32 Ų3294.6 Ų94.622%0.22449%0.485CS..SBendtrans-63.872.2-174.766.30000113.4
771D43.6Very low54Low116 Ų11695.2 Ų95.262%0.6249%0.49SS*.  trans-10781.7160.5-72.6-22.2000105.4P600 L769 E773P600-D771 WeakPolarHBondContact CB-OD1 3.49Å; L769-D771 PolarHBondContact O-N 2.75Å; D771-E773 PolarHBondContact O-N 2.86Å
772Y42.9Very low52Low134 Ų134101.6 Ų101.653%0.52551%0.513SS..  trans-70104176.8-147.4-89000107.9L774Y772-L774 PolarHBondContact O-N 3.31Å
773E37.6Very low49.9Very low140 Ų140107.7 Ų107.765%0.65453%0.534SS*.  trans-51.8124.8164.8-74.5176.8139.700108.4D771 N775 K880D771-E773 PolarHBondContact O-N 2.86Å; E773-N775 PolarHBondContact O-N 3.46Å; E773-K880 IonicContact OE2-NZ 2.62Å; E773-K880 PolarHBondContact OE2-NZ 3.44Å
774L36.1Very low47.6Very low68 Ų68109.4 Ų109.436%0.35655%0.546SS..  trans-39.4134.6176.9-124.480.7000111.2Y772 L778 I780Y772-L774 PolarHBondContact O-N 3.31Å; L774-L778 HydrophobicContact CD2-CB 4.03Å; L774-L778 HydrophobicContact CD2-CD2 3.65Å; L774-L778 HydrophobicContact CD2-CG 4.47Å; L774-L778 HydrophobicContact CG-CD2 4.38Å; L774-I780 HydrophobicContact CD2-CD1 3.73Å; L774-I780 HydrophobicContact CD2-CG1 3.8Å
775N33.7Very low45.9Very low109 Ų109106.3 Ų106.358%0.58353%0.53SS*.  trans-41.3125.6166.6-96.9-28.3000110.1E773 Q777 L778E773-N775 PolarHBondContact O-N 3.46Å; N775-Q777 PolarHBondContact O-N 3.41Å; N775-L778 PolarHBondContact O-N 3.34Å
776P35.3Very low43.5Very low123 Ų123107.8 Ų107.880%0.79954%0.539SS*.THydrogen-bonded Turntrans-62.6-11.4-179.520.7-30.4000113.7
777Q32.6Very low41.9Very low176 Ų176107.2 Ų107.282%0.82254%0.538SS*.THydrogen-bonded Turntrans-80.2-13.2174.2-63.8-63.2-20.800113.8N775 K779N775-Q777 PolarHBondContact O-N 3.41Å; Q777-K779 PolarHBondContact O-N 3.04Å
778L37.1Very low40.2Very low111 Ų111111.7 Ų111.758%0.58155%0.551SS**  trans-83.384.1173.8-14594.8000109L774 N775 I780L774-L778 HydrophobicContact CD2-CB 4.03Å; L774-L778 HydrophobicContact CD2-CD2 3.65Å; L774-L778 HydrophobicContact CD2-CG 4.47Å; L774-L778 HydrophobicContact CG-CD2 4.38Å; N775-L778 PolarHBondContact O-N 3.34Å; L778-I780 VanDerWaalsContact C-N 3.32Å; L778-I780 PolarHBondContact O-N 3.19Å
779K29.5Very low38.9Very low202 Ų202116 Ų11688%0.87857%0.57SS**  trans-61.395.9166.5-86.4-178.7177.41750108.4Q777 N781Q777-K779 PolarHBondContact O-N 3.04Å; K779-N781 PolarHBondContact O-N 3.41Å
780I39.2Very low38.1Very low81 Ų81118.4 Ų118.442%0.41558%0.583SS.*  trans-61.3106.4171.8-53.6175.9000107.2L774 L778 K782 I785L774-I780 HydrophobicContact CD2-CD1 3.73Å; L774-I780 HydrophobicContact CD2-CG1 3.8Å; L778-I780 VanDerWaalsContact C-N 3.32Å; L778-I780 PolarHBondContact O-N 3.19Å; I780-K782 PolarHBondContact O-N 3.47Å; I780-K782 VanDerWaalsContact O-N 3.13Å; I780-I785 HydrophobicContact CG2-CD1 4.44Å; I780-I785 HydrophobicContact CG2-CG1 4.42Å
781N34.1Very low37.3Very low141 Ų141125.1 Ų125.175%0.75462%0.616SS**  trans-64.2116.2167.7-143.6-6.6000106.4K779 K783K779-N781 PolarHBondContact O-N 3.41Å; N781-K783 PolarHBondContact O-N 2.88Å
782K40.8Very low36.5Very low179 Ų179125.3 Ų125.378%0.77861%0.609SS**THydrogen-bonded Turntrans-59.3-0.9-164.4-81.5-177.3175.9179.50115.9I780I780-K782 PolarHBondContact O-N 3.47Å; I780-K782 VanDerWaalsContact O-N 3.13Å
783K40.9Very low35.7Very low190 Ų190124.2 Ų124.283%0.82661%0.612SS**THydrogen-bonded Turntrans-108.7-23.4-172.5-74.4-172.8174.1-177.50117N781N781-K783 PolarHBondContact O-N 2.88Å
784S38Very low35.5Very low47 Ų47122.2 Ų122.233%0.32961%0.605SS.*  trans-172139.5174.152.10000111.3
785I44.4Very low35.3Very low45 Ų45126.7 Ų126.723%0.23162%0.621CS.*  trans-100.7123.5164.9-58.4174.3000105.5I780 I787 L803I780-I785 HydrophobicContact CG2-CD1 4.44Å; I780-I785 HydrophobicContact CG2-CG1 4.42Å; I785-I787 HydrophobicContact CG2-CD1 4.13Å; I785-I787 HydrophobicContact CG2-CG1 3.73Å; I785-L803 HydrophobicContact CD1-CD1 3.81Å
786T32.9Very low35.8Very low71 Ų71125.5 Ų125.544%0.43661%0.614SS.*EExtended strand (participates in β ladder)trans-99.7114.4173.7-33.20000106.3Y788 L793T786-Y788 HydrophobicContact CG2-CE2 4.18Å; T786-L793 HydrophobicContact CG2-CD1 3.39Å; T786-L793 HydrophobicContact CG2-CG 4.04Å
787I40.9Very low35.8Very low87 Ų87126 Ų12645%0.44661%0.61SS.*EExtended strand (participates in β ladder)trans-113.4126.7172.5-53.6-178.7000106.2I785 L803I785-I787 HydrophobicContact CG2-CD1 4.13Å; I785-I787 HydrophobicContact CG2-CG1 3.73Å; I787-L803 HydrophobicContact CD1-CD2 4.36Å
788Y30.4Very low36.3Very low171 Ų171122.1 Ų122.167%0.67160%0.595SS**EExtended strand (participates in β ladder)trans-91.7116.1173.6-65.6-92.5000107.2T786 L793T786-Y788 HydrophobicContact CG2-CE2 4.18Å; Y788-L793 HydrophobicContact CE1-CD1 3.94Å
789E36.4Very low36.1Very low136 Ų136126 Ų12664%0.63661%0.61SS**EExtended strand (participates in β ladder)trans-132.4122.6166.3-156.8168.8-156.200105.1D791 Y792E789-D791 PolarHBondContact O-N 2.95Å; E789-Y792 HydrophobicContact CB-CE2 4.46Å; E789-Y792 WeakPolarHBondContact O-CD2 3.31Å; E789-Y792 WeakPolarHBondContact O-CE2 3.36Å; E789-Y792 PolarHBondContact O-N 2.83Å
790D40.4Very low36.3Very low128 Ų128124.3 Ų124.368%0.68461%0.605SS**THydrogen-bonded Turntrans41.357.3-179.5-54.9-27.5000116.4Y792D790-Y792 VanDerWaalsContact C-N 3.27Å; D790-Y792 HydrophobicContact CB-CE1 3.82Å; D790-Y792 WeakPolarHBondContact O-CD1 3.43Å; D790-Y792 WeakPolarHBondContact O-CE1 3.44Å; D790-Y792 PolarHBondContact O-N 3.18Å; D790-Y792 VanDerWaalsContact O-N 3.14Å
791D36.3Very low36Very low172 Ų172124.9 Ų124.992%0.9260%0.604SS**THydrogen-bonded Turntrans62.611.1171.9-69.6-25.2000118E789E789-D791 PolarHBondContact O-N 2.95Å
792Y27Very low36.1Very low121 Ų121128 Ų12848%0.47561%0.606SS.*EExtended strand (participates in β ladder)trans-108.6126.7170.433.7-96.1000114E789 D790 I794E789-Y792 HydrophobicContact CB-CE2 4.46Å; E789-Y792 WeakPolarHBondContact O-CD2 3.31Å; E789-Y792 WeakPolarHBondContact O-CE2 3.36Å; E789-Y792 PolarHBondContact O-N 2.83Å; D790-Y792 VanDerWaalsContact C-N 3.27Å; D790-Y792 HydrophobicContact CB-CE1 3.82Å; D790-Y792 WeakPolarHBondContact O-CD1 3.43Å; D790-Y792 WeakPolarHBondContact O-CE1 3.44Å; D790-Y792 PolarHBondContact O-N 3.18Å; D790-Y792 VanDerWaalsContact O-N 3.14Å; Y792-I794 HydrophobicContact CD2-CD1 4.01Å; Y792-I794 HydrophobicContact CD2-CG1 4.32Å; Y792-I794 PolarHBondContact O-N 2.83Å
793L26.9Very low36Very low111 Ų111123.9 Ų123.958%0.58159%0.592SS**EExtended strand (participates in β ladder)trans-84.497.1178.3-168.1100.2000110.7T786 Y788T786-L793 HydrophobicContact CG2-CD1 3.39Å; T786-L793 HydrophobicContact CG2-CG 4.04Å; Y788-L793 HydrophobicContact CE1-CD1 3.94Å
794I33.5Very low36Very low98 Ų98118.7 Ų118.750%0.50357%0.572SS.*EExtended strand (participates in β ladder)trans-97.6116.7176-55.4174.9000110.1Y792 I796Y792-I794 HydrophobicContact CD2-CD1 4.01Å; Y792-I794 HydrophobicContact CD2-CG1 4.32Å; Y792-I794 PolarHBondContact O-N 2.83Å; I794-I796 HydrophobicContact CG2-CG1 3.91Å
795K31.7Very low36.1Very low161 Ų161120.5 Ų120.570%0.758%0.578SS**EExtended strand (participates in β ladder)trans-93102.5178.2-148.7177.8-170.2177.50109.3
796I43.6Very low36Very low84 Ų84124.1 Ų124.143%0.43159%0.594SS.*  trans-92.8122-174.6-54.8176.9000111.2I794I794-I796 HydrophobicContact CG2-CG1 3.91Å
797N35.1Very low36.5Very low134 Ų134123.7 Ų123.772%0.71760%0.603SS**  trans-77.3158.2176.7-77.2-23.8000113.1H799N797-H799 VanDerWaalsContact C-N 3.28Å; N797-H799 PolarHBondContact O-N 3.44Å
798N42.6Very low37.1Very low95 Ų95122.3 Ų122.351%0.50860%0.596SS.*G310 helixtrans-59.5-12.9-163.6-86.5-28.3000118.3K801N798-K801 PolarHBondContact OD1-NZ 3.32Å
799H34.7Very low38.3Very low191 Ų191118.3 Ų118.388%0.88459%0.591SS**G310 helixtrans-91.21.2-169.7-74.5-67000116.4N797N797-H799 VanDerWaalsContact C-N 3.28Å; N797-H799 PolarHBondContact O-N 3.44Å
800Q32.1Very low39.5Very low168 Ų168113.7 Ų113.779%0.78557%0.571SS**G310 helixtrans-123.424.3179.4-72.1-171.1-34.300114.8R802Q800-R802 VanDerWaalsContact C-N 3.29Å; Q800-R802 PolarHBondContact O-N 3.39Å
801K34Very low40.8Very low92 Ų92107.6 Ų107.640%0.454%0.538SS..  trans-75.473.9-179.8-73.5178174.9165.30112.9N798N798-K801 PolarHBondContact OD1-NZ 3.32Å
802R34.8Very low42.6Very low207 Ų207101.1 Ų101.178%0.78150%0.503SS*.  trans-105.794.2136.6-80.4-173177.8-172.6-1.1106Q800 I804Q800-R802 VanDerWaalsContact C-N 3.29Å; Q800-R802 PolarHBondContact O-N 3.39Å; R802-I804 PolarHBondContact O-N 3.17Å
803L40.4Very low45Very low92 Ų9297.2 Ų97.248%0.48249%0.49SS..  trans-66.195.4163.2-108.7142.2000105.8I785 I787 L805I785-L803 HydrophobicContact CD1-CD1 3.81Å; I787-L803 HydrophobicContact CD1-CD2 4.36Å; L803-L805 PolarHBondContact O-N 3.5Å; L803-L805 VanDerWaalsContact O-N 3.12Å
804I39.1Very low47.7Very low81 Ų8192.2 Ų92.242%0.41546%0.464SS..  trans-70.5103.7170-58.6173.5000104.7F597 R802 H806F597-I804 HydrophobicContact CB-CD1 4.38Å; F597-I804 HydrophobicContact CG-CD1 4.5Å; R802-I804 PolarHBondContact O-N 3.17Å; I804-H806 PolarHBondContact O-CD2 2.89Å; I804-H806 PolarHBondContact O-N 3.24Å
805L41.3Very low50.1Low86 Ų8687.9 Ų87.945%0.4544%0.442SS..  trans-64.5112172.8-102.193.3000108.5L803L803-L805 PolarHBondContact O-N 3.5Å; L803-L805 VanDerWaalsContact O-N 3.12Å
806H41.5Very low52.6Low121 Ų12180.8 Ų80.856%0.5641%0.411SS*.THydrogen-bonded Turntrans-68.5127.8179.6-68.5-71.7000110.8Q561 F597 I804Q561-H806 PolarHBondContact OE1-ND1 2.96Å; F597-H806 AromaticContact CE1-CE1 3.94Å; I804-H806 PolarHBondContact O-CD2 2.89Å; I804-H806 PolarHBondContact O-N 3.24Å
807G43.5Very low53.9Low61 Ų6177.1 Ų77.163%0.62939%0.393SS*.THydrogen-bonded Turntrans101.419.4160.400000119.2P809G807-P809 VanDerWaalsContact O-CD 3.3Å; G807-P809 WeakPolarHBondContact O-CD 3.49Å
808L53Low55.8Low59 Ų5977.3 Ų77.331%0.30939%0.385SS..  trans-74.1117.1172.7-78.3148.6000110.5N810L808-N810 PolarHBondContact O-N 3.24Å
809P57.6Low57.4Low86 Ų8677 Ų7756%0.55838%0.379SS*.  trans-75.4-22.7-168.726.5-33.4000114G807G807-P809 VanDerWaalsContact O-CD 3.3Å; G807-P809 WeakPolarHBondContact O-CD 3.49Å
810N60.9Low59.2Low39 Ų3970.8 Ų70.821%0.20935%0.352CS..  trans-147.9152.7-167.6-48.4-61.6000111.9P615 K617 L808P615-N810 WeakPolarHBondContact CG-OD1 3.45Å; P615-N810 CarbonylContact O-C 2.94Å; P615-N810 WeakPolarHBondContact O-CA 3.25Å; P615-N810 WeakPolarHBondContact O-CB 3.47Å; K617-N810 HydrophobicContact CB-CB 3.53Å; K617-N810 HydrophobicContact CD-CB 4.36Å; K617-N810 WeakPolarHBondContact CD-ND2 3.35Å; L808-N810 PolarHBondContact O-N 3.24Å
811N68.4Low61.5Low0 Ų068.3 Ų68.30%034%0.343CS..EExtended strand (participates in β ladder)trans-83.1142.2164-66.9-38.6000109.7L614 P615 I616 K617 L767L614-N811 PolarHBondContact O-ND2 3.37Å; P615-N811 PolarHBondContact O-N 2.82Å; I616-N811 CarbonylContact C-O 3.42Å; I616-N811 WeakPolarHBondContact CA-O 3.1Å; K617-N811 PolarHBondContact N-O 2.8Å; L767-N811 HydrophobicContact CD1-CB 3.77Å; L767-N811 HydrophobicContact CG-CB 4.48Å
812L72.3Confident63.7Low37 Ų3766.4 Ų66.419%0.19434%0.335CS..EExtended strand (participates in β ladder)trans-97.4137.4174.8-75.7100.4000111.1K617 I768 L814 M882K617-L812 WeakPolarHBondContact O-CA 3.47Å; I768-L812 PolarHBondContact N-O 3.41Å; I768-L812 PolarHBondContact O-N 2.88Å; L812-L814 HydrophobicContact CB-CG 4.22Å; L812-L814 HydrophobicContact CD2-CD2 4.22Å; L812-M882 HydrophobicContact CD1-CE 4.21Å; L812-M882 HydrophobicContact CD2-CE 3.49Å; L812-M882 VanDerWaalsContact CD2-CE 3.49Å; L812-M882 HydrophobicContact CD2-CG 4.31Å; L812-M882 HydrophobicContact CD2-SD 3.78Å; L812-M882 HydrophobicContact CG-CE 3.55Å; L812-M882 HydrophobicContact CG-SD 4.21Å
813I78.8Confident65.9Low39 Ų3956.9 Ų56.920%0.230%0.299CS..EExtended strand (participates in β ladder)trans-105.6126.9163.2-65.9-178.9000109I616 P686 P765 Q766 L767I616-I813 HydrophobicContact CB-CD1 4.46Å; I616-I813 HydrophobicContact CD1-CD1 3.99Å; I616-I813 HydrophobicContact CG1-CD1 4.27Å; I616-I813 HydrophobicContact CG2-CB 4.18Å; I616-I813 HydrophobicContact CG2-CD1 3.46Å; I616-I813 VanDerWaalsContact CG2-CD1 3.46Å; I616-I813 HydrophobicContact CG2-CG1 3.5Å; P686-I813 HydrophobicContact CB-CG2 3.86Å; P686-I813 HydrophobicContact CG-CG2 4.47Å; P765-I813 HydrophobicContact CB-CG2 3.76Å; Q766-I813 WeakPolarHBondContact O-CA 3.42Å; L767-I813 HydrophobicContact CD1-CD1 4.22Å; L767-I813 HydrophobicContact CD1-CG1 3.55Å
814L82.4Confident67.9Low6 Ų656.8 Ų56.83%0.03130%0.298CS..EExtended strand (participates in β ladder)trans-132.5146.7-171.2-69.2-175.5000110.9P765 Q766 I768 L812 P817 T881 E884P765-L814 CarbonylContact C-O 3.45Å; P765-L814 WeakPolarHBondContact CA-O 3.43Å; Q766-L814 PolarHBondContact N-O 3.18Å; Q766-L814 PolarHBondContact O-N 3.02Å; I768-L814 HydrophobicContact CD1-CD1 3.58Å; I768-L814 HydrophobicContact CG1-CD1 4.27Å; L812-L814 HydrophobicContact CB-CG 4.22Å; L812-L814 HydrophobicContact CD2-CD2 4.22Å; L814-P817 HydrophobicContact CB-CB 4.48Å; L814-P817 HydrophobicContact CD1-CB 4.3Å; L814-T881 WeakPolarHBondContact CD2-O 3.42Å; L814-E884 WeakPolarHBondContact CB-OE2 3.39Å; L814-E884 HydrophobicContact CD2-CB 4.31Å; L814-E884 WeakPolarHBondContact CD2-OE2 3.43Å
815C85.5Confident70.1Confident6 Ų656.8 Ų56.84%0.04130%0.299CS..SBendtrans-88.6-39.4175.1-71.20000111.3C691 T763 E884 L885C691-C815 WeakPolarHBondContact CA-SG 3.31Å; C691-C815 HydrophobicContact CB-CB 3.66Å; C691-C815 WeakPolarHBondContact CB-SG 3.38Å; C691-C815 VanDerWaalsContact SG-CA 3.58Å; C691-C815 WeakPolarHBondContact SG-CB 3.24Å; C691-C815 CovalentContact SG-SG 2.04Å; C691-C815 PolarHBondContact SG-SG 2.84Å; T763-C815 HydrophobicContact CG2-CB 4.42Å; T763-C815 WeakPolarHBondContact CG2-O 3.45Å; C815-E884 PolarHBondContact N-OE1 2.8Å; C815-E884 PolarHBondContact N-OE2 2.95Å; C815-L885 HydrophobicContact CB-CD2 4.26Å
816F83.1Confident72.2Confident12 Ų1252.9 Ų52.95%0.05328%0.278CS..  trans-133.170.2-172.2-46.1-67.4000109.6C691 A694 I695 T763 Y818 Q823 E884 L885 L888C691-F816 WeakPolarHBondContact O-CZ 3.31Å; A694-F816 HydrophobicContact CB-CE2 4.34Å; I695-F816 HydrophobicContact CD1-CE1 3.42Å; I695-F816 VanDerWaalsContact CD1-CE1 3.42Å; I695-F816 HydrophobicContact CD1-CZ 3.7Å; I695-F816 HydrophobicContact CG1-CE1 3.87Å; I695-F816 HydrophobicContact CG1-CZ 3.64Å; T763-F816 HydrophobicContact CG2-CD1 3.84Å; T763-F816 HydrophobicContact CG2-CE1 3.37Å; T763-F816 HydrophobicContact CG2-CZ 4.11Å; F816-Y818 PolarHBondContact O-N 3.39Å; F816-Q823 VanDerWaalsContact CD1-NE2 3.26Å; F816-Q823 VanDerWaalsContact CD2-NE2 3.32Å; F816-E884 VanDerWaalsContact C-CD 3.41Å; F816-E884 VanDerWaalsContact C-OE2 3.24Å; F816-E884 VanDerWaalsContact CA-OE1 3.3Å; F816-E884 WeakPolarHBondContact CA-OE1 3.34Å; F816-E884 HydrophobicContact CB-CG 4.33Å; F816-E884 WeakPolarHBondContact CB-OE1 3.36Å; F816-E884 WeakPolarHBondContact CD2-OE1 3.28Å; F816-E884 WeakPolarHBondContact CG-OE1 3.39Å; F816-E884 PolarHBondContact N-OE1 3.32Å; F816-E884 PolarHBondContact N-OE2 3.3Å; F816-L885 HydrophobicContact CD2-CD2 4.12Å; F816-L885 HydrophobicContact CE2-CD2 3.82Å; F816-L888 HydrophobicContact CD2-CD1 4.46Å; F816-L888 HydrophobicContact CE2-CD1 3.94Å
817P70.5Confident74.3Confident8 Ų848.3 Ų48.35%0.05226%0.258CS..SBendtrans-61.9-19.917824.9-31.9000112.7I768 L814I768-P817 HydrophobicContact CD1-CB 3.93Å; L814-P817 HydrophobicContact CB-CB 4.48Å; L814-P817 HydrophobicContact CD1-CB 4.3Å
818Y76.6Confident76.4Confident138 Ų13851.5 Ų51.554%0.54125%0.254SS..SBendtrans-130.7149.5174.3-51.3-75.6000109.7F816 D820 K880F816-Y818 PolarHBondContact O-N 3.39Å; Y818-D820 PolarHBondContact O-N 3.26Å; Y818-D820 VanDerWaalsContact O-N 3.14Å; Y818-K880 VanDerWaalsContact CE1-CE 3.5Å
819F74.2Confident78.2Confident88 Ų8849.9 Ų49.939%0.38625%0.246SC..  trans-68.6107.9170.9-171-107.9000109.2Q823 I824 P872 M875F819-Q823 VanDerWaalsContact CD2-OE1 3.22Å; F819-I824 HydrophobicContact CD1-CD1 4.44Å; F819-I824 HydrophobicContact CE1-CD1 3.62Å; F819-I824 HydrophobicContact CE1-CG1 3.59Å; F819-I824 HydrophobicContact CZ-CD1 4.27Å; F819-I824 HydrophobicContact CZ-CG1 3.74Å; F819-P872 HydrophobicContact CE2-CB 4.26Å; F819-P872 HydrophobicContact CZ-CB 4.11Å; F819-M875 HydrophobicContact CD2-CB 4.35Å; F819-M875 HydrophobicContact CD2-CE 4.28Å; F819-M875 HydrophobicContact CE2-CE 4.3Å; F819-M875 HydrophobicContact CE2-SD 4.26Å
820D74.3Confident79.8Confident60 Ų6045.9 Ų45.932%0.32122%0.22SC..  trans-98.3147.7-173.9-165.5-9.2000110.6Y818 K822 Q823Y818-D820 PolarHBondContact O-N 3.26Å; Y818-D820 VanDerWaalsContact O-N 3.14Å; D820-K822 PolarHBondContact O-N 3.46Å; D820-K822 VanDerWaalsContact OD2-CD 3.32Å; D820-K822 WeakPolarHBondContact OD2-CD 3.28Å; D820-K822 WeakPolarHBondContact OD2-CE 3.26Å; D820-K822 IonicContact OD2-NZ 3.51Å; D820-K822 PolarHBondContact OD2-NZ 2.83Å; D820-Q823 WeakPolarHBondContact O-CB 3.13Å; D820-Q823 PolarHBondContact O-N 2.66Å
821I78.9Confident81.1Confident117 Ų11748.2 Ų48.260%0.623%0.228SC*.Hα-helixtrans-54.7-30.9178.8-62.4174.2000110.9Q823 I824 I825I821-Q823 VanDerWaalsContact C-N 3.27Å; I821-Q823 PolarHBondContact O-N 2.91Å; I821-I824 WeakPolarHBondContact O-CB 3.34Å; I821-I824 PolarHBondContact O-N 2.94Å; I821-I824 VanDerWaalsContact O-N 3.08Å; I821-I825 HydrophobicContact CG2-CD1 3.83Å; I821-I825 HydrophobicContact CG2-CG1 4.1Å; I821-I825 WeakPolarHBondContact O-CG1 3.22Å; I821-I825 PolarHBondContact O-N 2.92Å
822K81Confident82.2Confident52 Ų5252.4 Ų52.423%0.22625%0.25CC..Hα-helixtrans-57.5-36.5178.4-59.5168.4-162.2153.80113.4I757 T761 D820 I824 I825 T826I757-K822 HydrophobicContact CG2-CB 4.29Å; I757-K822 HydrophobicContact CG2-CG 4.44Å; T761-K822 WeakPolarHBondContact OG1-CD 3.21Å; T761-K822 VanDerWaalsContact OG1-CE 3.29Å; T761-K822 WeakPolarHBondContact OG1-CE 3.42Å; D820-K822 PolarHBondContact O-N 3.46Å; D820-K822 VanDerWaalsContact OD2-CD 3.32Å; D820-K822 WeakPolarHBondContact OD2-CD 3.28Å; D820-K822 WeakPolarHBondContact OD2-CE 3.26Å; D820-K822 IonicContact OD2-NZ 3.51Å; D820-K822 PolarHBondContact OD2-NZ 2.83Å; K822-I824 VanDerWaalsContact C-N 3.35Å; K822-I825 PolarHBondContact O-N 2.98Å; K822-T826 WeakPolarHBondContact O-CB 3.34Å; K822-T826 PolarHBondContact O-N 3.35Å; K822-T826 PolarHBondContact O-OG1 2.91Å
823Q81.4Confident83.2Confident6 Ų651 Ų513%0.02824%0.242CC..Hα-helixtrans-67.3-40.2177.7-66171.8-29.200110.5F816 F819 D820 I821 T826 I827 M875F816-Q823 VanDerWaalsContact CD1-NE2 3.26Å; F816-Q823 VanDerWaalsContact CD2-NE2 3.32Å; F819-Q823 VanDerWaalsContact CD2-OE1 3.22Å; D820-Q823 WeakPolarHBondContact O-CB 3.13Å; D820-Q823 PolarHBondContact O-N 2.66Å; I821-Q823 VanDerWaalsContact C-N 3.27Å; I821-Q823 PolarHBondContact O-N 2.91Å; Q823-T826 PolarHBondContact O-N 3.1Å; Q823-I827 WeakPolarHBondContact O-CG1 3.41Å; Q823-I827 PolarHBondContact O-N 3.36Å; Q823-I827 VanDerWaalsContact O-N 3.14Å; Q823-M875 HydrophobicContact CG-CE 4.29Å
824I82.1Confident83.7Confident90 Ų9049.1 Ų49.146%0.46223%0.233SC..Hα-helixtrans-64-48.3176-53.1176.8000110.5F819 I821 K822 T826 I827 F828F819-I824 HydrophobicContact CD1-CD1 4.44Å; F819-I824 HydrophobicContact CE1-CD1 3.62Å; F819-I824 HydrophobicContact CE1-CG1 3.59Å; F819-I824 HydrophobicContact CZ-CD1 4.27Å; F819-I824 HydrophobicContact CZ-CG1 3.74Å; I821-I824 WeakPolarHBondContact O-CB 3.34Å; I821-I824 PolarHBondContact O-N 2.94Å; I821-I824 VanDerWaalsContact O-N 3.08Å; K822-I824 VanDerWaalsContact C-N 3.35Å; I824-T826 VanDerWaalsContact C-N 3.26Å; I824-T826 PolarHBondContact O-N 3.12Å; I824-I827 PolarHBondContact O-N 2.77Å; I824-F828 PolarHBondContact O-N 3.19Å
825I84.9Confident84.1Confident82 Ų8251 Ų5142%0.42125%0.246SC..Hα-helixtrans-58.6-42.1179.3-64.5169.8000110.4I753 I757 I821 K822 I827 F828I753-I825 HydrophobicContact CG2-CG2 4.31Å; I757-I825 HydrophobicContact CD1-CB 4.24Å; I757-I825 HydrophobicContact CD1-CG2 3.66Å; I821-I825 HydrophobicContact CG2-CD1 3.83Å; I821-I825 HydrophobicContact CG2-CG1 4.1Å; I821-I825 WeakPolarHBondContact O-CG1 3.22Å; I821-I825 PolarHBondContact O-N 2.92Å; K822-I825 PolarHBondContact O-N 2.98Å; I825-I827 PolarHBondContact O-N 3.37Å; I825-F828 WeakPolarHBondContact O-CB 3.36Å; I825-F828 PolarHBondContact O-N 2.7Å
826T85.2Confident84.4Confident3 Ų354 Ų542%0.01826%0.262CS..Hα-helixtrans-66.4-37.1-178.4-60.80000113I695 Q750 L754 K822 Q823 I824 P830I695-T826 HydrophobicContact CG2-CG2 3.77Å; I695-T826 VanDerWaalsContact CG2-OG1 3.22Å; I695-T826 WeakPolarHBondContact CG2-OG1 3.47Å; I695-T826 WeakPolarHBondContact O-CG2 3.25Å; Q750-T826 PolarHBondContact NE2-O 3.47Å; L754-T826 HydrophobicContact CD2-CG2 3.43Å; L754-T826 VanDerWaalsContact CD2-CG2 3.43Å; K822-T826 WeakPolarHBondContact O-CB 3.34Å; K822-T826 PolarHBondContact O-N 3.35Å; K822-T826 PolarHBondContact O-OG1 2.91Å; Q823-T826 PolarHBondContact O-N 3.1Å; I824-T826 VanDerWaalsContact C-N 3.26Å; I824-T826 PolarHBondContact O-N 3.12Å; T826-P830 WeakPolarHBondContact O-CD 3.02Å
827I86.5Confident84.7Confident26 Ų2653.5 Ų53.513%0.13326%0.259CS..Hα-helixtrans-82.4-15.2-178.8-69.6170.9000112V698 Q823 I824 I825 I829 P830 F831 F868V698-I827 HydrophobicContact CG1-CG1 4.33Å; Q823-I827 WeakPolarHBondContact O-CG1 3.41Å; Q823-I827 PolarHBondContact O-N 3.36Å; Q823-I827 VanDerWaalsContact O-N 3.14Å; I824-I827 PolarHBondContact O-N 2.77Å; I825-I827 PolarHBondContact O-N 3.37Å; I827-I829 PolarHBondContact O-N 2.91Å; I827-P830 WeakPolarHBondContact O-CD 3.41Å; I827-F831 VanDerWaalsContact O-CB 3.27Å; I827-F831 WeakPolarHBondContact O-CB 3.02Å; I827-F831 PolarHBondContact O-N 3.48Å; I827-F868 HydrophobicContact CG2-CD1 3.82Å; I827-F868 HydrophobicContact CG2-CE1 3.86Å
828F87.7Confident85.7Confident127 Ų12754.3 Ų54.356%0.55726%0.264SS*.Hα-helixtrans-59.2-50.6-173-177.2-102.4000114.5I824 I825 F831 L832I824-F828 PolarHBondContact O-N 3.19Å; I825-F828 WeakPolarHBondContact O-CB 3.36Å; I825-F828 PolarHBondContact O-N 2.7Å; F828-F831 WeakPolarHBondContact O-CB 3.15Å; F828-F831 PolarHBondContact O-N 3.34Å; F828-L832 PolarHBondContact O-N 2.88Å
829I89.9Confident86.3Confident26 Ų2652 Ų5213%0.13326%0.26CS..Hα-helixtrans-65.5-48.4178.4-72.2174.7000111.9T703 I749 Q750 I753 I827 F831 L832 L833T703-I829 HydrophobicContact CG2-CG2 4.4Å; I749-I829 HydrophobicContact CG2-CD1 3.76Å; Q750-I829 VanDerWaalsContact OE1-CB 3.25Å; Q750-I829 VanDerWaalsContact OE1-CD1 3.32Å; I753-I829 HydrophobicContact CD1-CD1 3.4Å; I827-I829 PolarHBondContact O-N 2.91Å; I829-F831 PolarHBondContact O-N 2.83Å; I829-L832 WeakPolarHBondContact O-CB 3.26Å; I829-L832 PolarHBondContact O-N 3.32Å; I829-L832 VanDerWaalsContact O-N 3.14Å; I829-L833 HydrophobicContact CG2-CD1 4.03Å; I829-L833 HydrophobicContact CG2-CG 4.36Å; I829-L833 WeakPolarHBondContact O-CG 3.13Å; I829-L833 PolarHBondContact O-N 2.91Å
830P90.8Very high86.9Confident1 Ų151 Ų511%0.00625%0.254CS..Hα-helixtrans-50.6-44.2170.5-27.729.8000113T702 T703 T826 I827 L833 M834 F868T702-P830 VanDerWaalsContact OG1-CB 3.31Å; T702-P830 WeakPolarHBondContact OG1-CB 3.45Å; T702-P830 VanDerWaalsContact OG1-CG 3.27Å; T702-P830 WeakPolarHBondContact OG1-CG 3.46Å; T703-P830 WeakPolarHBondContact OG1-CG 3.44Å; T826-P830 WeakPolarHBondContact O-CD 3.02Å; I827-P830 WeakPolarHBondContact O-CD 3.41Å; P830-L833 PolarHBondContact O-N 2.98Å; P830-M834 VanDerWaalsContact O-CB 3.26Å; P830-M834 WeakPolarHBondContact O-CB 2.99Å; P830-M834 PolarHBondContact O-N 3.39Å; P830-F868 HydrophobicContact CB-CE1 3.97Å; P830-F868 HydrophobicContact CB-CZ 4.16Å
831F89.5Confident87.4Confident89 Ų8948.2 Ų48.239%0.3924%0.239SC..Hα-helixtrans-64.3-42178.6-179.4-95.8000112.1I827 F828 I829 M834 C835I827-F831 VanDerWaalsContact O-CB 3.27Å; I827-F831 WeakPolarHBondContact O-CB 3.02Å; I827-F831 PolarHBondContact O-N 3.48Å; F828-F831 WeakPolarHBondContact O-CB 3.15Å; F828-F831 PolarHBondContact O-N 3.34Å; I829-F831 PolarHBondContact O-N 2.83Å; F831-M834 HydrophobicContact CD2-CE 3.41Å; F831-M834 VanDerWaalsContact CD2-CE 3.41Å; F831-M834 HydrophobicContact CE2-CE 3.68Å; F831-M834 HydrophobicContact CG-CE 4.31Å; F831-M834 WeakPolarHBondContact O-CB 3.27Å; F831-M834 PolarHBondContact O-N 2.94Å; F831-C835 VanDerWaalsContact CE1-SG 3.59Å; F831-C835 WeakPolarHBondContact O-CB 3.2Å; F831-C835 PolarHBondContact O-N 3.26Å; F831-C835 PolarHBondContact O-SG 3Å
832L91.3Very high87.7Confident87 Ų8748.4 Ų48.446%0.45523%0.233SC..Hα-helixtrans-62.3-47.4175-172.6100.5000111.4F828 I829 M834 C835 L836F828-L832 PolarHBondContact O-N 2.88Å; I829-L832 WeakPolarHBondContact O-CB 3.26Å; I829-L832 PolarHBondContact O-N 3.32Å; I829-L832 VanDerWaalsContact O-N 3.14Å; L832-M834 VanDerWaalsContact C-N 3.32Å; L832-M834 PolarHBondContact O-N 2.03Å; L832-C835 PolarHBondContact O-N 3.25Å; L832-L836 HydrophobicContact CD2-CD1 4.15Å; L832-L836 HydrophobicContact CG-CD1 4.26Å; L832-L836 WeakPolarHBondContact O-CB 3.3Å; L832-L836 WeakPolarHBondContact O-CG 3.36Å; L832-L836 PolarHBondContact O-N 2.8Å
833L91.9Very high87.8Confident7 Ų751.3 Ų51.34%0.03725%0.246CC..Hα-helixtrans-62.1-41.4177.2-69.8174.1000111.3T703 L710 I829 P830 L836 S837T703-L833 HydrophobicContact CG2-CD1 3.84Å; L710-L833 HydrophobicContact CD2-CD2 3.7Å; I829-L833 HydrophobicContact CG2-CD1 4.03Å; I829-L833 HydrophobicContact CG2-CG 4.36Å; I829-L833 WeakPolarHBondContact O-CG 3.13Å; I829-L833 PolarHBondContact O-N 2.91Å; P830-L833 PolarHBondContact O-N 2.98Å; L833-L836 PolarHBondContact O-N 3.48Å; L833-S837 WeakPolarHBondContact O-CB 3.25Å; L833-S837 PolarHBondContact O-N 2.94Å; L833-S837 PolarHBondContact O-OG 3.19Å
834M90.6Very high87.6Confident1 Ų151.1 Ų51.11%0.00525%0.245CC..Hα-helixtrans-59.1-52.5173.6-178.8-173.96600110.4Y706 P830 F831 L832 L836 S837 T838 N864 C865 F868Y706-M834 HydrophobicContact CD1-CB 4Å; Y706-M834 HydrophobicContact CD1-CG 4.33Å; Y706-M834 HydrophobicContact CD2-CB 4.4Å; Y706-M834 HydrophobicContact CE1-CB 3.84Å; Y706-M834 HydrophobicContact CE1-CG 3.74Å; Y706-M834 HydrophobicContact CE2-CB 4.28Å; Y706-M834 HydrophobicContact CG-CB 4.29Å; P830-M834 VanDerWaalsContact O-CB 3.26Å; P830-M834 WeakPolarHBondContact O-CB 2.99Å; P830-M834 PolarHBondContact O-N 3.39Å; F831-M834 HydrophobicContact CD2-CE 3.41Å; F831-M834 VanDerWaalsContact CD2-CE 3.41Å; F831-M834 HydrophobicContact CE2-CE 3.68Å; F831-M834 HydrophobicContact CG-CE 4.31Å; F831-M834 WeakPolarHBondContact O-CB 3.27Å; F831-M834 PolarHBondContact O-N 2.94Å; L832-M834 VanDerWaalsContact C-N 3.32Å; L832-M834 PolarHBondContact O-N 2.03Å; M834-L836 PolarHBondContact O-N 3.46Å; M834-S837 WeakPolarHBondContact CA-OG 3.19Å; M834-S837 CarbonylContact O-C 3.6Å; M834-S837 PolarHBondContact O-N 2.76Å; M834-S837 VanDerWaalsContact O-N 3.09Å; M834-S837 PolarHBondContact O-OG 3.3Å; M834-T838 PolarHBondContact O-N 2.71Å; M834-T838 PolarHBondContact O-OG1 2.93Å; M834-N864 HydrophobicContact SD-CB 4.48Å; M834-C865 HydrophobicContact CE-CB 4.41Å; M834-C865 VanDerWaalsContact SD-CA 3.59Å; M834-C865 HydrophobicContact SD-CB 4.29Å; M834-C865 VanDerWaalsContact SD-SG 3.69Å; M834-F868 HydrophobicContact CE-CB 3.8Å; M834-F868 HydrophobicContact CE-CD1 4.48Å; M834-F868 HydrophobicContact CE-CD2 4.43Å; M834-F868 HydrophobicContact CE-CG 3.99Å; M834-F868 HydrophobicContact SD-CB 4.01Å; M834-F868 HydrophobicContact SD-CD2 3.64Å; M834-F868 HydrophobicContact SD-CE2 4.3Å; M834-F868 HydrophobicContact SD-CG 3.81Å
835C91.1Very high87.2Confident44 Ų4451.5 Ų51.530%0.29724%0.241SC..Hα-helixtrans-57.2-47.2178.5-69.30000112.4F831 L832 S837 T838 I839F831-C835 VanDerWaalsContact CE1-SG 3.59Å; F831-C835 WeakPolarHBondContact O-CB 3.2Å; F831-C835 PolarHBondContact O-N 3.26Å; F831-C835 PolarHBondContact O-SG 3Å; L832-C835 PolarHBondContact O-N 3.25Å; C835-S837 VanDerWaalsContact C-N 3.32Å; C835-S837 PolarHBondContact O-N 2.82Å; C835-T838 PolarHBondContact O-N 3.41Å; C835-I839 WeakPolarHBondContact O-CG1 3.16Å; C835-I839 PolarHBondContact O-N 3.17Å
836L91.2Very high86.4Confident71 Ų7156 Ų5637%0.37226%0.257SS..Hα-helixtrans-60.8-43.4175.9-71.4173000111.1L710 L832 L833 M834 T838 I839 Y840L710-L836 HydrophobicContact CD1-CB 3.91Å; L710-L836 HydrophobicContact CD2-CB 4.25Å; L710-L836 HydrophobicContact CD2-CD1 4.43Å; L832-L836 HydrophobicContact CD2-CD1 4.15Å; L832-L836 HydrophobicContact CG-CD1 4.26Å; L832-L836 WeakPolarHBondContact O-CB 3.3Å; L832-L836 WeakPolarHBondContact O-CG 3.36Å; L832-L836 PolarHBondContact O-N 2.8Å; L833-L836 PolarHBondContact O-N 3.48Å; M834-L836 PolarHBondContact O-N 3.46Å; L836-T838 VanDerWaalsContact C-N 3.32Å; L836-T838 PolarHBondContact O-N 3.19Å; L836-I839 PolarHBondContact O-N 2.62Å; L836-Y840 VanDerWaalsContact O-CD2 3.3Å; L836-Y840 WeakPolarHBondContact O-CD2 3.42Å; L836-Y840 PolarHBondContact O-N 2.8Å
837S89.6Confident85.5Confident0 Ų056.8 Ų56.80%026%0.262CS..Hα-helixtrans-65-36.7178.279.60000111.6L833 M834 C835 Y840 A841 N861L833-S837 WeakPolarHBondContact O-CB 3.25Å; L833-S837 PolarHBondContact O-N 2.94Å; L833-S837 PolarHBondContact O-OG 3.19Å; M834-S837 WeakPolarHBondContact CA-OG 3.19Å; M834-S837 CarbonylContact O-C 3.6Å; M834-S837 PolarHBondContact O-N 2.76Å; M834-S837 VanDerWaalsContact O-N 3.09Å; M834-S837 PolarHBondContact O-OG 3.3Å; C835-S837 VanDerWaalsContact C-N 3.32Å; C835-S837 PolarHBondContact O-N 2.82Å; S837-Y840 PolarHBondContact O-N 3.13Å; S837-A841 WeakPolarHBondContact O-CB 3.49Å; S837-A841 PolarHBondContact O-N 2.7Å; S837-N861 PolarHBondContact O-ND2 2.96Å; S837-N861 VanDerWaalsContact O-ND2 3.1Å; S837-N861 PolarHBondContact OG-ND2 3.23Å; S837-N861 VanDerWaalsContact OG-ND2 3.1Å; S837-N861 PolarHBondContact OG-OD1 3.11Å
838T90.5Very high84.1Confident25 Ų2558.8 Ų58.815%0.15328%0.276CS..Hα-helixtrans-65.1-41.2174.1-55.10000111.3M834 C835 L836 A841 Y842 N861 Y862M834-T838 PolarHBondContact O-N 2.71Å; M834-T838 PolarHBondContact O-OG1 2.93Å; C835-T838 PolarHBondContact O-N 3.41Å; L836-T838 VanDerWaalsContact C-N 3.32Å; L836-T838 PolarHBondContact O-N 3.19Å; T838-A841 PolarHBondContact O-N 3.18Å; T838-Y842 VanDerWaalsContact O-CB 3.31Å; T838-Y842 WeakPolarHBondContact O-CB 3.11Å; T838-Y842 PolarHBondContact O-N 3.34Å; T838-N861 PolarHBondContact N-ND2 3.09Å; T838-Y862 HydrophobicContact CG2-CD1 4.1Å; T838-Y862 HydrophobicContact CG2-CE1 3.85Å
839I89.2Confident82.3Confident90 Ų9056.6 Ų56.646%0.46228%0.277SS..Hα-helixtrans-62.3-47.1175.6-67.9164.4000110.7C835 L836 Y842 K843C835-I839 WeakPolarHBondContact O-CG1 3.16Å; C835-I839 PolarHBondContact O-N 3.17Å; L836-I839 PolarHBondContact O-N 2.62Å; I839-Y842 PolarHBondContact O-N 3.05Å; I839-K843 WeakPolarHBondContact O-CG 3.37Å; I839-K843 PolarHBondContact O-N 2.85Å
840Y86.6Confident80.5Confident68 Ų6855.9 Ų55.927%0.26728%0.276SS..Hα-helixtrans-65.2-41.6176.3-83.3-75.3000111.9L710 N717 L836 S837 Y842 K843 I844L710-Y840 HydrophobicContact CD1-CD2 3.55Å; L710-Y840 HydrophobicContact CD1-CE2 4Å; L710-Y840 HydrophobicContact CD1-CG 4.49Å; N717-Y840 HydrophobicContact CB-CD1 3.93Å; N717-Y840 HydrophobicContact CB-CE1 4.34Å; L836-Y840 VanDerWaalsContact O-CD2 3.3Å; L836-Y840 WeakPolarHBondContact O-CD2 3.42Å; L836-Y840 PolarHBondContact O-N 2.8Å; S837-Y840 PolarHBondContact O-N 3.13Å; Y840-Y842 VanDerWaalsContact C-N 3.31Å; Y840-Y842 PolarHBondContact O-N 3.5Å; Y840-K843 WeakPolarHBondContact O-CB 3.2Å; Y840-K843 PolarHBondContact O-N 3.04Å; Y840-K843 VanDerWaalsContact O-N 3.15Å; Y840-I844 WeakPolarHBondContact O-CG1 3.3Å; Y840-I844 PolarHBondContact O-N 3.42Å
841A85.4Confident79Confident0 Ų059.2 Ų59.20%029%0.291CS..Hα-helixtrans-61.2-40.2176.700000111.9S837 T838 I844 R845 A858S837-A841 WeakPolarHBondContact O-CB 3.49Å; S837-A841 PolarHBondContact O-N 2.7Å; T838-A841 PolarHBondContact O-N 3.18Å; A841-I844 VanDerWaalsContact O-CG1 3.23Å; A841-I844 WeakPolarHBondContact O-CG1 3.34Å; A841-I844 PolarHBondContact O-N 3.14Å; A841-R845 PolarHBondContact O-N 2.83Å; A841-R845 VanDerWaalsContact O-N 3.16Å; A841-A858 HydrophobicContact CB-CB 4.14Å
842Y85.2Confident77.7Confident121 Ų12159 Ų5948%0.47529%0.294SS..Hα-helixtrans-64.8-39.9173.5179.3-93.8000112T838 I839 Y840 R845T838-Y842 VanDerWaalsContact O-CB 3.31Å; T838-Y842 WeakPolarHBondContact O-CB 3.11Å; T838-Y842 PolarHBondContact O-N 3.34Å; I839-Y842 PolarHBondContact O-N 3.05Å; Y840-Y842 VanDerWaalsContact C-N 3.31Å; Y840-Y842 PolarHBondContact O-N 3.5Å; Y842-R845 WeakPolarHBondContact O-CB 3.43Å; Y842-R845 VanDerWaalsContact O-CD 3.23Å; Y842-R845 WeakPolarHBondContact O-CD 3.23Å; Y842-R845 WeakPolarHBondContact O-CG 3.41Å; Y842-R845 PolarHBondContact O-N 3.13Å; Y842-R845 PolarHBondContact OH-NH2 2.88Å
843K82.8Confident76.7Confident113 Ų11357.3 Ų57.349%0.49128%0.283SS..Hα-helixtrans-63.6-43.8176-74.1179179.2-177.60112.1I839 Y840 R845I839-K843 WeakPolarHBondContact O-CG 3.37Å; I839-K843 PolarHBondContact O-N 2.85Å; Y840-K843 WeakPolarHBondContact O-CB 3.2Å; Y840-K843 PolarHBondContact O-N 3.04Å; Y840-K843 VanDerWaalsContact O-N 3.15Å; K843-R845 VanDerWaalsContact C-N 3.26Å; K843-R845 PolarHBondContact O-N 2.63Å
844I78.3Confident75.9Confident2 Ų257 Ų571%0.0128%0.282CS..Hα-helixtrans-76.8-6.5-179.966.4177.7000113.6I716 N717 Y840 A841 K846 V847 A854 L857I716-I844 HydrophobicContact CB-CG2 4.41Å; I716-I844 HydrophobicContact CD1-CD1 4.49Å; I716-I844 HydrophobicContact CG2-CB 4.28Å; I716-I844 HydrophobicContact CG2-CD1 4.29Å; I716-I844 HydrophobicContact CG2-CG2 3.95Å; N717-I844 HydrophobicContact CB-CG2 3.72Å; Y840-I844 WeakPolarHBondContact O-CG1 3.3Å; Y840-I844 PolarHBondContact O-N 3.42Å; A841-I844 VanDerWaalsContact O-CG1 3.23Å; A841-I844 WeakPolarHBondContact O-CG1 3.34Å; A841-I844 PolarHBondContact O-N 3.14Å; I844-K846 PolarHBondContact O-N 3.48Å; I844-K846 VanDerWaalsContact O-N 3.16Å; I844-V847 HydrophobicContact CB-CG2 4.09Å; I844-V847 VanDerWaalsContact O-CB 3.23Å; I844-V847 WeakPolarHBondContact O-CB 3.48Å; I844-V847 WeakPolarHBondContact O-CG2 3.35Å; I844-V847 PolarHBondContact O-N 3.12Å; I844-A854 HydrophobicContact CB-CB 4.22Å; I844-A854 HydrophobicContact CD1-CB 3.92Å; I844-A854 HydrophobicContact CG1-CB 3.93Å; I844-L857 HydrophobicContact CD1-CB 4.49Å; I844-L857 HydrophobicContact CD1-CD1 3.96Å
845R74.1Confident75.4Confident98 Ų9864.1 Ų64.137%0.3731%0.309SS..THydrogen-bonded Turntrans-62.3-25.8-177.384.3-168.1175.5131.3-0.1113.8A841 Y842 K843 V847A841-R845 PolarHBondContact O-N 2.83Å; A841-R845 VanDerWaalsContact O-N 3.16Å; Y842-R845 WeakPolarHBondContact O-CB 3.43Å; Y842-R845 VanDerWaalsContact O-CD 3.23Å; Y842-R845 WeakPolarHBondContact O-CD 3.23Å; Y842-R845 WeakPolarHBondContact O-CG 3.41Å; Y842-R845 PolarHBondContact O-N 3.13Å; Y842-R845 PolarHBondContact OH-NH2 2.88Å; K843-R845 VanDerWaalsContact C-N 3.26Å; K843-R845 PolarHBondContact O-N 2.63Å; R845-V847 VanDerWaalsContact C-N 3.3Å
846K67.8Low75.1Confident178 Ų17863.1 Ų63.177%0.77430%0.304SS*.THydrogen-bonded Turntrans-83.7-2.4178.6-66.3-171.7177.1-173.10113.4I844I844-K846 PolarHBondContact O-N 3.48Å; I844-K846 VanDerWaalsContact O-N 3.16Å
847V65.9Low75Confident19 Ų1959.7 Ų59.712%0.11529%0.286CS..SBendtrans-61.4137.5176175.60000109.3F720 I844 R845 F851F720-V847 HydrophobicContact CD1-CG1 4.34Å; F720-V847 HydrophobicContact CD2-CG1 4.05Å; F720-V847 HydrophobicContact CD2-CG2 3.75Å; F720-V847 HydrophobicContact CE1-CG1 3.76Å; F720-V847 HydrophobicContact CE2-CB 4.4Å; F720-V847 HydrophobicContact CE2-CG1 3.44Å; F720-V847 VanDerWaalsContact CE2-CG1 3.44Å; F720-V847 HydrophobicContact CE2-CG2 3.97Å; F720-V847 HydrophobicContact CG-CG1 4.49Å; F720-V847 HydrophobicContact CG-CG2 4.12Å; F720-V847 HydrophobicContact CZ-CG1 3.28Å; F720-V847 HydrophobicContact CZ-CG2 4.48Å; I844-V847 HydrophobicContact CB-CG2 4.09Å; I844-V847 VanDerWaalsContact O-CB 3.23Å; I844-V847 WeakPolarHBondContact O-CB 3.48Å; I844-V847 WeakPolarHBondContact O-CG2 3.35Å; I844-V847 PolarHBondContact O-N 3.12Å; R845-V847 VanDerWaalsContact C-N 3.3Å; V847-F851 HydrophobicContact CG1-CB 3.86Å; V847-F851 HydrophobicContact CG1-CD2 4.34Å; V847-F851 HydrophobicContact CG1-CG 4.31Å
848P56.7Low74.8Confident67 Ų6760 Ų6044%0.43529%0.288SS..  trans-53.6151.7-175.614.3-29000114G850 F851 L930P848-G850 PolarHBondContact O-N 2.59Å; P848-F851 PolarHBondContact O-N 2.92Å; P848-L930 HydrophobicContact CB-CD1 3.58Å; P848-L930 HydrophobicContact CG-CD1 4.36Å
849S50.3Low74.7Confident81 Ų8164 Ų6457%0.56630%0.304SS*.THydrogen-bonded Turntrans-52.9-14.3-171.756.70000115.9F851 N852S849-F851 VanDerWaalsContact C-N 3.25Å; S849-F851 PolarHBondContact O-N 3.27Å; S849-N852 PolarHBondContact O-OD1 2.99Å; S849-N852 VanDerWaalsContact O-OD1 3.05Å
850G52Low74.9Confident12 Ų1259.8 Ų59.812%0.12428%0.282CS..THydrogen-bonded Turntrans-61.4-28.7170.300000114P848 R926P848-G850 PolarHBondContact O-N 2.59Å; G850-R926 WeakPolarHBondContact O-CD 3.28Å; G850-R926 PolarHBondContact O-NE 3.18Å
851F59Low75.1Confident70 Ų7056.5 Ų56.531%0.30727%0.269SS..  trans-102.264179.1-84.5-94.1000112.4F720 V847 P848 S849 E853 A854 L927F720-F851 HydrophobicContact CE2-CD2 4.47Å; F720-F851 AromaticContact CZ-CD2 3.76Å; F720-F851 HydrophobicContact CZ-CD2 3.76Å; F720-F851 AromaticContact CZ-CE2 3.78Å; F720-F851 HydrophobicContact CZ-CE2 3.78Å; F720-F851 HydrophobicContact CZ-CG 4.28Å; F720-F851 HydrophobicContact CZ-CZ 4.32Å; V847-F851 HydrophobicContact CG1-CB 3.86Å; V847-F851 HydrophobicContact CG1-CD2 4.34Å; V847-F851 HydrophobicContact CG1-CG 4.31Å; P848-F851 PolarHBondContact O-N 2.92Å; S849-F851 VanDerWaalsContact C-N 3.25Å; S849-F851 PolarHBondContact O-N 3.27Å; F851-E853 PolarHBondContact O-N 3.43Å; F851-A854 PolarHBondContact O-N 3.3Å; F851-L927 HydrophobicContact CE2-CD2 3.85Å; F851-L927 HydrophobicContact CE2-CG 4.24Å; F851-L927 HydrophobicContact CZ-CD2 4.47Å
852N62Low75.3Confident85 Ų8561 Ų6146%0.45529%0.287SS..Hα-helixtrans-49.5-23.1172.2-76.8-5.9000113.9S849 A854 R855 A856S849-N852 PolarHBondContact O-OD1 2.99Å; S849-N852 VanDerWaalsContact O-OD1 3.05Å; N852-A854 VanDerWaalsContact C-N 3.34Å; N852-A854 PolarHBondContact O-N 3.09Å; N852-R855 PolarHBondContact O-N 3.23Å; N852-A856 PolarHBondContact O-N 3.44Å
853E69.8Low75.6Confident51 Ų5157.8 Ų57.824%0.23828%0.278CS..Hα-helixtrans-61.9-34.7176.1-171175.1145.100113.8R712 F851 R855 A856 L857R712-E853 IonicContact CZ-OE1 3.39Å; R712-E853 IonicContact NE-OE1 2.7Å; R712-E853 PolarHBondContact NE-OE1 2.98Å; R712-E853 IonicContact NH2-OE1 3.12Å; R712-E853 PolarHBondContact NH2-OE1 3.21Å; R712-E853 IonicContact NH2-OE2 3.99Å; F851-E853 PolarHBondContact O-N 3.43Å; E853-R855 PolarHBondContact O-N 3.03Å; E853-A856 WeakPolarHBondContact O-CB 3.35Å; E853-A856 PolarHBondContact O-N 3.48Å; E853-L857 PolarHBondContact O-N 3.36Å
854A75.7Confident76Confident2 Ų252.4 Ų52.42%0.01725%0.254CS..Hα-helixtrans-66-38.5179.900000111.9I844 F851 N852 L857 A858I844-A854 HydrophobicContact CB-CB 4.22Å; I844-A854 HydrophobicContact CD1-CB 3.92Å; I844-A854 HydrophobicContact CG1-CB 3.93Å; F851-A854 PolarHBondContact O-N 3.3Å; N852-A854 VanDerWaalsContact C-N 3.34Å; N852-A854 PolarHBondContact O-N 3.09Å; A854-L857 PolarHBondContact O-N 3.43Å; A854-A858 PolarHBondContact O-N 3.07Å
855R81.1Confident76.6Confident150 Ų15053.6 Ų53.657%0.56626%0.262SS*.Hα-helixtrans-68.8-38.3175.3-64.4-177.8-178.6-178.9-1.3111.8N852 E853 L857 A858 F859N852-R855 PolarHBondContact O-N 3.23Å; E853-R855 PolarHBondContact O-N 3.03Å; R855-L857 VanDerWaalsContact C-N 3.34Å; R855-L857 PolarHBondContact O-N 2.88Å; R855-A858 PolarHBondContact O-N 3.35Å; R855-F859 PolarHBondContact O-N 2.86Å
856A84.6Confident77.5Confident22 Ų2254.2 Ų54.218%0.18227%0.272CS..Hα-helixtrans-61.8-40.7175.600000111.9N852 E853 F859 V860 V902 L903N852-A856 PolarHBondContact O-N 3.44Å; E853-A856 WeakPolarHBondContact O-CB 3.35Å; E853-A856 PolarHBondContact O-N 3.48Å; A856-F859 PolarHBondContact O-N 2.76Å; A856-V860 WeakPolarHBondContact O-CG2 3.37Å; A856-V860 PolarHBondContact O-N 2.82Å; A856-V902 HydrophobicContact CB-CG1 3.79Å; A856-V902 WeakPolarHBondContact O-CG1 3.44Å; A856-L903 HydrophobicContact CB-CD2 4.32Å
857L88Confident78.6Confident0 Ų046.4 Ų46.40%024%0.239CC..Hα-helixtrans-62.8-41.8174.5-74.2163.1000112.6I709 I716 I844 E853 A854 R855 N861 L903I709-L857 HydrophobicContact CG2-CD2 4.01Å; I716-L857 HydrophobicContact CD1-CD1 3.69Å; I844-L857 HydrophobicContact CD1-CB 4.49Å; I844-L857 HydrophobicContact CD1-CD1 3.96Å; E853-L857 PolarHBondContact O-N 3.36Å; A854-L857 PolarHBondContact O-N 3.43Å; R855-L857 VanDerWaalsContact C-N 3.34Å; R855-L857 PolarHBondContact O-N 2.88Å; L857-N861 PolarHBondContact O-N 2.81Å; L857-N861 VanDerWaalsContact O-N 3.12Å; L857-L903 HydrophobicContact CD2-CD1 4.2Å; L857-L903 HydrophobicContact CD2-CD2 3.75Å; L857-L903 HydrophobicContact CG-CD2 4.04Å
858A85.8Confident79.7Confident6 Ų646 Ų465%0.0524%0.236CC..Hα-helixtrans-62.8-45.3175.300000111.6A841 A854 R855 V860 N861 Y862A841-A858 HydrophobicContact CB-CB 4.14Å; A854-A858 PolarHBondContact O-N 3.07Å; R855-A858 PolarHBondContact O-N 3.35Å; A858-V860 PolarHBondContact O-N 3.24Å; A858-N861 PolarHBondContact O-N 3.18Å; A858-Y862 HydrophobicContact CB-CE2 3.92Å; A858-Y862 WeakPolarHBondContact O-CD2 3.48Å; A858-Y862 PolarHBondContact O-N 3.06Å
859F89.3Confident81.2Confident110 Ų11047.8 Ų47.848%0.48224%0.241SC..Hα-helixtrans-60.3-45.2178.2-174.7-99.7000112.6R855 A856 N861 Y862 I863 V902R855-F859 PolarHBondContact O-N 2.86Å; A856-F859 PolarHBondContact O-N 2.76Å; F859-N861 PolarHBondContact O-N 2.85Å; F859-Y862 PolarHBondContact O-N 2.86Å; F859-I863 HydrophobicContact CD1-CD1 3.83Å; F859-I863 HydrophobicContact CE1-CD1 3.22Å; F859-I863 HydrophobicContact CE1-CG1 4.37Å; F859-I863 HydrophobicContact CE2-CD1 4.08Å; F859-I863 HydrophobicContact CZ-CD1 3.38Å; F859-I863 HydrophobicContact CZ-CG1 4.38Å; F859-I863 PolarHBondContact O-N 3Å; F859-I863 VanDerWaalsContact O-N 3.14Å; F859-V902 HydrophobicContact CD1-CB 4.48Å; F859-V902 HydrophobicContact CD1-CG1 3.96Å; F859-V902 HydrophobicContact CD1-CG2 3.73Å; F859-V902 HydrophobicContact CE1-CG2 3.82Å
860V91.7Very high83Confident0 Ų046.4 Ų46.40%023%0.229CC..Hα-helixtrans-58-50.5175.7167.60000111.2I709 A856 A858 Y862 I863 N864 N898 E899 V902 L903I709-V860 HydrophobicContact CD1-CG1 4.37Å; A856-V860 WeakPolarHBondContact O-CG2 3.37Å; A856-V860 PolarHBondContact O-N 2.82Å; A858-V860 PolarHBondContact O-N 3.24Å; V860-Y862 VanDerWaalsContact C-N 3.3Å; V860-Y862 PolarHBondContact O-N 3.44Å; V860-I863 PolarHBondContact O-N 3.31Å; V860-N864 VanDerWaalsContact O-CB 3.22Å; V860-N864 WeakPolarHBondContact O-CB 3.17Å; V860-N864 PolarHBondContact O-N 3.2Å; V860-N898 WeakPolarHBondContact CA-ND2 3.24Å; V860-N898 PolarHBondContact O-ND2 3.02Å; V860-E899 HydrophobicContact CG1-CG 3.79Å; V860-V902 HydrophobicContact CG2-CB 3.47Å; V860-V902 VanDerWaalsContact CG2-CB 3.47Å; V860-V902 HydrophobicContact CG2-CG1 3.55Å; V860-V902 HydrophobicContact CG2-CG2 4.18Å; V860-L903 HydrophobicContact CB-CD2 4.47Å; V860-L903 HydrophobicContact CG1-CD1 4.34Å; V860-L903 HydrophobicContact CG2-CD1 4.21Å; V860-L903 HydrophobicContact CG2-CD2 3.81Å; V860-L903 HydrophobicContact CG2-CG 3.73Å
861N91Very high84.8Confident0 Ų045.9 Ų45.90%022%0.223CC..Hα-helixtrans-63-35.4-178.3-76.6-14.9000112.6S837 T838 L857 A858 F859 C865S837-N861 PolarHBondContact O-ND2 2.96Å; S837-N861 VanDerWaalsContact O-ND2 3.1Å; S837-N861 PolarHBondContact OG-ND2 3.23Å; S837-N861 VanDerWaalsContact OG-ND2 3.1Å; S837-N861 PolarHBondContact OG-OD1 3.11Å; T838-N861 PolarHBondContact N-ND2 3.09Å; L857-N861 PolarHBondContact O-N 2.81Å; L857-N861 VanDerWaalsContact O-N 3.12Å; A858-N861 PolarHBondContact O-N 3.18Å; F859-N861 PolarHBondContact O-N 2.85Å; N861-C865 WeakPolarHBondContact O-CB 3.31Å; N861-C865 PolarHBondContact O-N 2.62Å; N861-C865 PolarHBondContact O-SG 3.26Å
862Y90.9Very high86.1Confident93 Ų9344.7 Ų44.737%0.36522%0.223SC..Hα-helixtrans-66.8-47.9176.7-61.7-32.2000113.1T838 A858 F859 V860 N864 C865 I866T838-Y862 HydrophobicContact CG2-CD1 4.1Å; T838-Y862 HydrophobicContact CG2-CE1 3.85Å; A858-Y862 HydrophobicContact CB-CE2 3.92Å; A858-Y862 WeakPolarHBondContact O-CD2 3.48Å; A858-Y862 PolarHBondContact O-N 3.06Å; F859-Y862 PolarHBondContact O-N 2.86Å; V860-Y862 VanDerWaalsContact C-N 3.3Å; V860-Y862 PolarHBondContact O-N 3.44Å; Y862-N864 VanDerWaalsContact C-N 3.29Å; Y862-N864 PolarHBondContact O-N 3.43Å; Y862-C865 PolarHBondContact O-N 2.92Å; Y862-I866 WeakPolarHBondContact O-CG1 3.41Å; Y862-I866 PolarHBondContact O-N 3.46Å
863I91.3Very high87.3Confident55 Ų5545 Ų4528%0.28222%0.224SC..Hα-helixtrans-61.5-43.7176.8-70.9177.2000110.3F859 V860 C865 I866 C867 N898F859-I863 HydrophobicContact CD1-CD1 3.83Å; F859-I863 HydrophobicContact CE1-CD1 3.22Å; F859-I863 HydrophobicContact CE1-CG1 4.37Å; F859-I863 HydrophobicContact CE2-CD1 4.08Å; F859-I863 HydrophobicContact CZ-CD1 3.38Å; F859-I863 HydrophobicContact CZ-CG1 4.38Å; F859-I863 PolarHBondContact O-N 3Å; F859-I863 VanDerWaalsContact O-N 3.14Å; V860-I863 PolarHBondContact O-N 3.31Å; I863-C865 PolarHBondContact O-N 3.15Å; I863-I866 WeakPolarHBondContact O-CB 3.09Å; I863-I866 PolarHBondContact O-N 3.32Å; I863-I866 VanDerWaalsContact O-N 3.1Å; I863-C867 PolarHBondContact O-N 2.96Å; I863-C867 PolarHBondContact O-SG 3.41Å; I863-N898 WeakPolarHBondContact CB-ND2 3.33Å; I863-N898 HydrophobicContact CG2-CB 4.31Å; I863-N898 WeakPolarHBondContact CG2-ND2 3.41Å
864N91.5Very high88.2Confident0 Ų045.9 Ų45.90%023%0.229CC..Hα-helixtrans-64.3-38.7179.7-84.310.5000112.6Y706 M834 V860 Y862 I866 C867 F868 N898Y706-N864 HydrophobicContact CE1-CB 4.38Å; Y706-N864 WeakPolarHBondContact OH-CB 3.48Å; Y706-N864 VanDerWaalsContact OH-CG 3.27Å; Y706-N864 PolarHBondContact OH-ND2 2.81Å; M834-N864 HydrophobicContact SD-CB 4.48Å; V860-N864 VanDerWaalsContact O-CB 3.22Å; V860-N864 WeakPolarHBondContact O-CB 3.17Å; V860-N864 PolarHBondContact O-N 3.2Å; Y862-N864 VanDerWaalsContact C-N 3.29Å; Y862-N864 PolarHBondContact O-N 3.43Å; N864-I866 PolarHBondContact O-N 2.86Å; N864-C867 WeakPolarHBondContact O-CB 3.19Å; N864-C867 PolarHBondContact O-N 3.49Å; N864-C867 VanDerWaalsContact O-N 3.15Å; N864-F868 WeakPolarHBondContact O-CD2 3.5Å; N864-F868 PolarHBondContact O-N 3.16Å; N864-N898 PolarHBondContact OD1-ND2 2.73Å
865C91Very high88.7Confident27 Ų2746.3 Ų46.318%0.18223%0.231CC..Hα-helixtrans-57.1-40.4171.8-75.10000111.8M834 N861 Y862 I863 F868 I869M834-C865 HydrophobicContact CE-CB 4.41Å; M834-C865 VanDerWaalsContact SD-CA 3.59Å; M834-C865 HydrophobicContact SD-CB 4.29Å; M834-C865 VanDerWaalsContact SD-SG 3.69Å; N861-C865 WeakPolarHBondContact O-CB 3.31Å; N861-C865 PolarHBondContact O-N 2.62Å; N861-C865 PolarHBondContact O-SG 3.26Å; Y862-C865 PolarHBondContact O-N 2.92Å; I863-C865 PolarHBondContact O-N 3.15Å; C865-F868 PolarHBondContact O-N 3.45Å; C865-I869 VanDerWaalsContact O-CG1 3.28Å; C865-I869 WeakPolarHBondContact O-CG1 3.34Å; C865-I869 PolarHBondContact O-N 3.26Å; C865-I869 VanDerWaalsContact O-N 3.08Å
866I91.4Very high88.9Confident110 Ų11046.6 Ų46.656%0.56423%0.234SC*.Hα-helixtrans-63.2-48.8175.3-61.6166.5000109.8Y862 I863 N864 F868 I869 T870Y862-I866 WeakPolarHBondContact O-CG1 3.41Å; Y862-I866 PolarHBondContact O-N 3.46Å; I863-I866 WeakPolarHBondContact O-CB 3.09Å; I863-I866 PolarHBondContact O-N 3.32Å; I863-I866 VanDerWaalsContact O-N 3.1Å; N864-I866 PolarHBondContact O-N 2.86Å; I866-F868 VanDerWaalsContact C-N 3.32Å; I866-F868 PolarHBondContact O-N 3.33Å; I866-I869 PolarHBondContact O-N 3.45Å; I866-T870 WeakPolarHBondContact O-CB 3.49Å; I866-T870 PolarHBondContact O-N 3.4Å; I866-T870 PolarHBondContact O-OG1 2.85Å
867C90.7Very high88.8Confident14 Ų1454 Ų5410%0.09526%0.258CS..Hα-helixtrans-56.5-43177.8-65.20000112.9I863 N864 T870 T871 L891 T895I863-C867 PolarHBondContact O-N 2.96Å; I863-C867 PolarHBondContact O-SG 3.41Å; N864-C867 WeakPolarHBondContact O-CB 3.19Å; N864-C867 PolarHBondContact O-N 3.49Å; N864-C867 VanDerWaalsContact O-N 3.15Å; C867-T870 PolarHBondContact O-N 3.23Å; C867-T871 WeakPolarHBondContact O-CB 3.49Å; C867-T871 PolarHBondContact O-N 2.87Å; C867-T871 PolarHBondContact O-OG1 2.9Å; C867-L891 HydrophobicContact CB-CD1 3.89Å; C867-T895 HydrophobicContact CB-CG2 4.36Å
868F89.6Confident88.7Confident10 Ų1054.5 Ų54.54%0.04426%0.262CS..Hα-helixtrans-67.8-35.3178.6-90.8-99.7000113.1T702 Y706 I827 P830 M834 N864 C865 I866 P872 L891 T895T702-F868 HydrophobicContact CG2-CZ 3.94Å; Y706-F868 AromaticContact CE2-CE2 3.55Å; Y706-F868 HydrophobicContact CE2-CE2 3.55Å; Y706-F868 AromaticContact CE2-CZ 3.66Å; Y706-F868 HydrophobicContact CE2-CZ 3.66Å; Y706-F868 AromaticContact CZ-CE2 3.82Å; Y706-F868 WeakPolarHBondContact OH-CE2 3.33Å; I827-F868 HydrophobicContact CG2-CD1 3.82Å; I827-F868 HydrophobicContact CG2-CE1 3.86Å; P830-F868 HydrophobicContact CB-CE1 3.97Å; P830-F868 HydrophobicContact CB-CZ 4.16Å; M834-F868 HydrophobicContact CE-CB 3.8Å; M834-F868 HydrophobicContact CE-CD1 4.48Å; M834-F868 HydrophobicContact CE-CD2 4.43Å; M834-F868 HydrophobicContact CE-CG 3.99Å; M834-F868 HydrophobicContact SD-CB 4.01Å; M834-F868 HydrophobicContact SD-CD2 3.64Å; M834-F868 HydrophobicContact SD-CE2 4.3Å; M834-F868 HydrophobicContact SD-CG 3.81Å; N864-F868 WeakPolarHBondContact O-CD2 3.5Å; N864-F868 PolarHBondContact O-N 3.16Å; C865-F868 PolarHBondContact O-N 3.45Å; I866-F868 VanDerWaalsContact C-N 3.32Å; I866-F868 PolarHBondContact O-N 3.33Å; F868-P872 WeakPolarHBondContact O-CD 3.49Å; F868-L891 HydrophobicContact CD2-CD1 3.79Å; F868-L891 HydrophobicContact CE1-CD2 4.45Å; F868-L891 HydrophobicContact CE2-CD1 3.86Å; F868-L891 HydrophobicContact CG-CD1 4.29Å; F868-L891 HydrophobicContact CZ-CD1 4.45Å; F868-L891 HydrophobicContact CZ-CD2 4.42Å; F868-T895 HydrophobicContact CE2-CG2 4.09Å
869I88.3Confident88.4Confident106 Ų10656.1 Ų56.154%0.54427%0.273SS..Hα-helixtrans-73.7-40176.5-68.1167.4000111C865 I866 P872C865-I869 VanDerWaalsContact O-CG1 3.28Å; C865-I869 WeakPolarHBondContact O-CG1 3.34Å; C865-I869 PolarHBondContact O-N 3.26Å; C865-I869 VanDerWaalsContact O-N 3.08Å; I866-I869 PolarHBondContact O-N 3.45Å; I869-P872 WeakPolarHBondContact O-CD 3.32Å
870T89Confident87.7Confident51 Ų5154.2 Ų54.231%0.31327%0.265SS..Hα-helixtrans-73.2-28.8-177.7-55.80000112.5I866 C867 I873 L874I866-T870 WeakPolarHBondContact O-CB 3.49Å; I866-T870 PolarHBondContact O-N 3.4Å; I866-T870 PolarHBondContact O-OG1 2.85Å; C867-T870 PolarHBondContact O-N 3.23Å; T870-I873 WeakPolarHBondContact O-CB 3.2Å; T870-I873 PolarHBondContact O-N 3.3Å; T870-L874 HydrophobicContact CG2-CD1 3.88Å; T870-L874 HydrophobicContact CG2-CG 3.94Å; T870-L874 WeakPolarHBondContact O-CG 3.34Å; T870-L874 PolarHBondContact O-N 3.01Å
871T88.9Confident87.2Confident1 Ų156.6 Ų56.61%0.00628%0.279CS..Hα-helixtrans-60.6-50.5-175.2-61.90000113.8C867 I873 L874 M875 P887 L891C867-T871 WeakPolarHBondContact O-CB 3.49Å; C867-T871 PolarHBondContact O-N 2.87Å; C867-T871 PolarHBondContact O-OG1 2.9Å; T871-I873 VanDerWaalsContact C-N 3.25Å; T871-I873 PolarHBondContact O-N 3.41Å; T871-L874 PolarHBondContact O-N 2.87Å; T871-L874 VanDerWaalsContact O-N 3.14Å; T871-M875 HydrophobicContact CG2-CG 4.29Å; T871-M875 HydrophobicContact CG2-SD 3.97Å; T871-M875 VanDerWaalsContact O-CG 3.32Å; T871-M875 WeakPolarHBondContact O-CG 3.03Å; T871-M875 PolarHBondContact O-N 3.01Å; T871-P887 HydrophobicContact CG2-CB 4.17Å; T871-L891 HydrophobicContact CG2-CB 4.25Å; T871-L891 HydrophobicContact CG2-CD2 4.09Å
872P86.4Confident86.7Confident46 Ų4658.6 Ų58.630%0.29929%0.289SS..Hα-helixtrans-58.5-35.5175.8-2634.7000113.6F819 F868 I869 M875 Y876F819-P872 HydrophobicContact CE2-CB 4.26Å; F819-P872 HydrophobicContact CZ-CB 4.11Å; F868-P872 WeakPolarHBondContact O-CD 3.49Å; I869-P872 WeakPolarHBondContact O-CD 3.32Å; P872-M875 PolarHBondContact O-N 3.37Å; P872-Y876 PolarHBondContact O-N 3.37Å
873I87.7Confident86.4Confident92 Ų9257.9 Ų57.947%0.47229%0.291SS..Hα-helixtrans-64.8-47.8176.4-58.2172.7000109.6T870 T871 M875 Y876 Y877T870-I873 WeakPolarHBondContact O-CB 3.2Å; T870-I873 PolarHBondContact O-N 3.3Å; T871-I873 VanDerWaalsContact C-N 3.25Å; T871-I873 PolarHBondContact O-N 3.41Å; I873-M875 VanDerWaalsContact C-N 3.33Å; I873-M875 PolarHBondContact O-N 2.99Å; I873-Y876 WeakPolarHBondContact O-CB 3.47Å; I873-Y876 PolarHBondContact O-N 3.39Å; I873-Y877 HydrophobicContact CG2-CD2 3.98Å; I873-Y877 HydrophobicContact CG2-CE2 3.82Å; I873-Y877 VanDerWaalsContact O-CD2 3.23Å; I873-Y877 WeakPolarHBondContact O-CD2 3.29Å; I873-Y877 PolarHBondContact O-N 3.49Å
874L88.7Confident86.2Confident68 Ų6855.6 Ų55.636%0.35628%0.28SS..Hα-helixtrans-63-38.3176.7-68.8175.6000112.2T870 T871 Y876 Y877 A878 P887 F890T870-L874 HydrophobicContact CG2-CD1 3.88Å; T870-L874 HydrophobicContact CG2-CG 3.94Å; T870-L874 WeakPolarHBondContact O-CG 3.34Å; T870-L874 PolarHBondContact O-N 3.01Å; T871-L874 PolarHBondContact O-N 2.87Å; T871-L874 VanDerWaalsContact O-N 3.14Å; L874-Y876 VanDerWaalsContact C-N 3.34Å; L874-Y877 PolarHBondContact O-N 3.07Å; L874-A878 WeakPolarHBondContact O-CB 3.3Å; L874-A878 PolarHBondContact O-N 3.36Å; L874-P887 HydrophobicContact CB-CB 3.89Å; L874-P887 HydrophobicContact CB-CG 3.82Å; L874-F890 HydrophobicContact CD1-CD1 4.4Å
875M86.3Confident86Confident11 Ų1156.2 Ų56.25%0.05428%0.283CS..Hα-helixtrans-64-39.1175.9-70.3177.271.600112.3F819 Q823 T871 P872 I873 A878 S879 P887 L888F819-M875 HydrophobicContact CD2-CB 4.35Å; F819-M875 HydrophobicContact CD2-CE 4.28Å; F819-M875 HydrophobicContact CE2-CE 4.3Å; F819-M875 HydrophobicContact CE2-SD 4.26Å; Q823-M875 HydrophobicContact CG-CE 4.29Å; T871-M875 HydrophobicContact CG2-CG 4.29Å; T871-M875 HydrophobicContact CG2-SD 3.97Å; T871-M875 VanDerWaalsContact O-CG 3.32Å; T871-M875 WeakPolarHBondContact O-CG 3.03Å; T871-M875 PolarHBondContact O-N 3.01Å; P872-M875 PolarHBondContact O-N 3.37Å; I873-M875 VanDerWaalsContact C-N 3.33Å; I873-M875 PolarHBondContact O-N 2.99Å; M875-A878 PolarHBondContact O-N 2.83Å; M875-S879 PolarHBondContact O-N 2.75Å; M875-P887 HydrophobicContact CG-CB 3.58Å; M875-P887 HydrophobicContact CG-CG 3.99Å; M875-L888 HydrophobicContact CE-CD1 4.44Å; M875-L888 HydrophobicContact CE-CD2 4.04Å; M875-L888 HydrophobicContact CE-CG 4.25Å; M875-L888 HydrophobicContact SD-CD2 3.76Å; M875-L888 HydrophobicContact SD-CG 4.28Å
876Y85Confident86Confident157 Ų15755.9 Ų55.962%0.61628%0.28SS*.Hα-helixtrans-60.8-47.3174.9177.4-99.9000111.6P872 I873 L874 S879P872-Y876 PolarHBondContact O-N 3.37Å; I873-Y876 WeakPolarHBondContact O-CB 3.47Å; I873-Y876 PolarHBondContact O-N 3.39Å; L874-Y876 VanDerWaalsContact C-N 3.34Å; Y876-S879 VanDerWaalsContact O-CB 3.31Å; Y876-S879 WeakPolarHBondContact O-CB 3.13Å; Y876-S879 PolarHBondContact O-N 3.23Å; Y876-S879 PolarHBondContact O-OG 3.38Å
877Y82.8Confident86Confident176 Ų17650.9 Ų50.969%0.6926%0.255SS*.Hα-helixtrans-71.6-31.2178.1-76.5-70.6000113.9I873 L874 S879I873-Y877 HydrophobicContact CG2-CD2 3.98Å; I873-Y877 HydrophobicContact CG2-CE2 3.82Å; I873-Y877 VanDerWaalsContact O-CD2 3.23Å; I873-Y877 WeakPolarHBondContact O-CD2 3.29Å; I873-Y877 PolarHBondContact O-N 3.49Å; L874-Y877 PolarHBondContact O-N 3.07Å; Y877-S879 VanDerWaalsContact C-N 3.28Å
878A84.6Confident86Confident12 Ų1250.4 Ų50.410%0.09925%0.251CS..Hα-helixtrans-81.9-6.1176.300000112.9L874 M875 T881 L883 P887L874-A878 WeakPolarHBondContact O-CB 3.3Å; L874-A878 PolarHBondContact O-N 3.36Å; M875-A878 PolarHBondContact O-N 2.83Å; A878-T881 WeakPolarHBondContact O-CB 3.19Å; A878-T881 PolarHBondContact O-N 3.32Å; A878-T881 VanDerWaalsContact O-N 3.16Å; A878-T881 PolarHBondContact O-OG1 2.9Å; A878-L883 HydrophobicContact CB-CB 4.44Å; A878-P887 HydrophobicContact CB-CG 4.09Å
879S80.3Confident86.1Confident39 Ų3950 Ų5027%0.27325%0.249SC..THydrogen-bonded Turntrans-57.7143.5178.269.60000111.1M875 Y876 Y877 T881M875-S879 PolarHBondContact O-N 2.75Å; Y876-S879 VanDerWaalsContact O-CB 3.31Å; Y876-S879 WeakPolarHBondContact O-CB 3.13Å; Y876-S879 PolarHBondContact O-N 3.23Å; Y876-S879 PolarHBondContact O-OG 3.38Å; Y877-S879 VanDerWaalsContact C-N 3.28Å; S879-T881 WeakPolarHBondContact O-CG2 3.29Å; S879-T881 PolarHBondContact O-N 2.89Å
880K75Confident86.3Confident71 Ų7148 Ų4831%0.30924%0.237SC..THydrogen-bonded Turntrans5915-176.6-55.1-175.1177.6-1740115I768 E773 Y818I768-K880 HydrophobicContact CD1-CG 4.42Å; E773-K880 IonicContact OE2-NZ 2.62Å; E773-K880 PolarHBondContact OE2-NZ 3.44Å; Y818-K880 VanDerWaalsContact CE1-CE 3.5Å
881T81.5Confident86.5Confident50 Ų5045.6 Ų45.631%0.30722%0.222SC..SBendtrans-116.3164.8176.377.80000112.2L814 A878 S879 L883 E884L814-T881 WeakPolarHBondContact CD2-O 3.42Å; A878-T881 WeakPolarHBondContact O-CB 3.19Å; A878-T881 PolarHBondContact O-N 3.32Å; A878-T881 VanDerWaalsContact O-N 3.16Å; A878-T881 PolarHBondContact O-OG1 2.9Å; S879-T881 WeakPolarHBondContact O-CG2 3.29Å; S879-T881 PolarHBondContact O-N 2.89Å; T881-L883 PolarHBondContact O-N 3.13Å; T881-L883 VanDerWaalsContact O-N 3.08Å; T881-L883 PolarHBondContact OG1-N 3.16Å; T881-L883 VanDerWaalsContact OG1-N 3.16Å; T881-E884 PolarHBondContact O-N 3.08Å
882M80.8Confident86.8Confident42 Ų4245.6 Ų45.621%0.20722%0.222CC..THydrogen-bonded Turntrans-55.6-26.3171.5-52.4-68.2163.100112.7K617 M619 L812 E884K617-M882 HydrophobicContact CB-CE 3.49Å; K617-M882 VanDerWaalsContact CB-CE 3.49Å; K617-M882 HydrophobicContact CB-SD 4Å; K617-M882 HydrophobicContact CD-CE 3.28Å; K617-M882 HydrophobicContact CD-SD 4.11Å; K617-M882 HydrophobicContact CG-CE 3.24Å; K617-M882 HydrophobicContact CG-SD 3.55Å; K617-M882 VanDerWaalsContact CG-SD 3.55Å; M619-M882 WeakPolarHBondContact CB-O 3.1Å; L812-M882 HydrophobicContact CD1-CE 4.21Å; L812-M882 HydrophobicContact CD2-CE 3.49Å; L812-M882 VanDerWaalsContact CD2-CE 3.49Å; L812-M882 HydrophobicContact CD2-CG 4.31Å; L812-M882 HydrophobicContact CD2-SD 3.78Å; L812-M882 HydrophobicContact CG-CE 3.55Å; L812-M882 HydrophobicContact CG-SD 4.21Å; M882-E884 VanDerWaalsContact C-N 3.28Å; M882-E884 PolarHBondContact O-N 3.49Å
883L84.6Confident87.2Confident78 Ų7843.5 Ų43.541%0.40821%0.208SC..THydrogen-bonded Turntrans-86.46.4-171.1-58.7173.1000113.2M619 V625 A878 T881 L885 V886 P887M619-L883 HydrophobicContact SD-CD2 4.46Å; V625-L883 HydrophobicContact CG1-CD2 4.48Å; A878-L883 HydrophobicContact CB-CB 4.44Å; T881-L883 PolarHBondContact O-N 3.13Å; T881-L883 VanDerWaalsContact O-N 3.08Å; T881-L883 PolarHBondContact OG1-N 3.16Å; T881-L883 VanDerWaalsContact OG1-N 3.16Å; L883-L885 VanDerWaalsContact C-N 3.25Å; L883-L885 PolarHBondContact O-N 2.66Å; L883-L885 VanDerWaalsContact O-N 3.14Å; L883-V886 HydrophobicContact CB-CG2 4.08Å; L883-V886 HydrophobicContact CD2-CG2 3.95Å; L883-V886 VanDerWaalsContact O-CB 3.26Å; L883-V886 WeakPolarHBondContact O-CB 3.4Å; L883-V886 WeakPolarHBondContact O-CG2 3.31Å; L883-V886 PolarHBondContact O-N 2.02Å; L883-P887 VanDerWaalsContact O-CD 3.25Å; L883-P887 WeakPolarHBondContact O-CD 3.1Å
884E85.4Confident87.4Confident7 Ų740.4 Ų40.43%0.03320%0.195CC..THydrogen-bonded Turntrans-53.9-35.3-173.7-172.4-147.2105.500114.4L814 C815 F816 T881 M882 P887L814-E884 WeakPolarHBondContact CB-OE2 3.39Å; L814-E884 HydrophobicContact CD2-CB 4.31Å; L814-E884 WeakPolarHBondContact CD2-OE2 3.43Å; C815-E884 PolarHBondContact N-OE1 2.8Å; C815-E884 PolarHBondContact N-OE2 2.95Å; F816-E884 VanDerWaalsContact C-CD 3.41Å; F816-E884 VanDerWaalsContact C-OE2 3.24Å; F816-E884 VanDerWaalsContact CA-OE1 3.3Å; F816-E884 WeakPolarHBondContact CA-OE1 3.34Å; F816-E884 HydrophobicContact CB-CG 4.33Å; F816-E884 WeakPolarHBondContact CB-OE1 3.36Å; F816-E884 WeakPolarHBondContact CD2-OE1 3.28Å; F816-E884 WeakPolarHBondContact CG-OE1 3.39Å; F816-E884 PolarHBondContact N-OE1 3.32Å; F816-E884 PolarHBondContact N-OE2 3.3Å; T881-E884 PolarHBondContact O-N 3.08Å; M882-E884 VanDerWaalsContact C-N 3.28Å; M882-E884 PolarHBondContact O-N 3.49Å; E884-P887 WeakPolarHBondContact O-CD 3.31Å
885L88.8Confident87.7Confident13 Ų1337.2 Ų37.27%0.06818%0.178CC..THydrogen-bonded Turntrans-85.5-10.4178.9-68.6175.3000114I681 P686 A694 C815 F816 L883 S889I681-L885 HydrophobicContact CG2-CB 3.87Å; I681-L885 HydrophobicContact CG2-CD1 4.29Å; I681-L885 HydrophobicContact CG2-CD2 4.2Å; I681-L885 HydrophobicContact CG2-CG 4.35Å; P686-L885 HydrophobicContact CG-CD1 4.46Å; A694-L885 HydrophobicContact CB-CD2 4.25Å; C815-L885 HydrophobicContact CB-CD2 4.26Å; F816-L885 HydrophobicContact CD2-CD2 4.12Å; F816-L885 HydrophobicContact CE2-CD2 3.82Å; L883-L885 VanDerWaalsContact C-N 3.25Å; L883-L885 PolarHBondContact O-N 2.66Å; L883-L885 VanDerWaalsContact O-N 3.14Å; L885-S889 PolarHBondContact O-N 3.22Å; L885-S889 PolarHBondContact O-OG 2.83Å
886V90.6Very high88.1Confident19 Ų1936.7 Ų36.712%0.11518%0.175CC..Hα-helixtrans-63.8-45.2-178.6179.90000112.7M619 V625 F629 L682 L883 L888 S889 F890M619-V886 HydrophobicContact CE-CG2 3.52Å; M619-V886 HydrophobicContact SD-CG2 3.23Å; M619-V886 WeakPolarHBondContact SD-CG2 3.07Å; V625-V886 HydrophobicContact CG1-CG1 4.26Å; V625-V886 HydrophobicContact CG1-CG2 4.41Å; F629-V886 HydrophobicContact CD2-CG1 4.3Å; F629-V886 HydrophobicContact CE2-CG1 3.63Å; F629-V886 HydrophobicContact CZ-CG1 4.21Å; L682-V886 HydrophobicContact CD2-CG2 4.14Å; L883-V886 HydrophobicContact CB-CG2 4.08Å; L883-V886 HydrophobicContact CD2-CG2 3.95Å; L883-V886 VanDerWaalsContact O-CB 3.26Å; L883-V886 WeakPolarHBondContact O-CB 3.4Å; L883-V886 WeakPolarHBondContact O-CG2 3.31Å; L883-V886 PolarHBondContact O-N 2.02Å; V886-L888 VanDerWaalsContact C-N 3.32Å; V886-L888 PolarHBondContact O-N 3.27Å; V886-S889 PolarHBondContact O-N 3Å; V886-F890 VanDerWaalsContact O-CB 3.28Å; V886-F890 WeakPolarHBondContact O-CB 3.22Å; V886-F890 PolarHBondContact O-N 3.11Å
887P90.6Very high88.5Confident6 Ų631.2 Ų31.24%0.03916%0.158CC..Hα-helixtrans-59.2-38.9-179.5-26.936.2000113.9T871 L874 M875 A878 L883 E884 F890 L891T871-P887 HydrophobicContact CG2-CB 4.17Å; L874-P887 HydrophobicContact CB-CB 3.89Å; L874-P887 HydrophobicContact CB-CG 3.82Å; M875-P887 HydrophobicContact CG-CB 3.58Å; M875-P887 HydrophobicContact CG-CG 3.99Å; A878-P887 HydrophobicContact CB-CG 4.09Å; L883-P887 VanDerWaalsContact O-CD 3.25Å; L883-P887 WeakPolarHBondContact O-CD 3.1Å; E884-P887 WeakPolarHBondContact O-CD 3.31Å; P887-F890 PolarHBondContact O-N 3.05Å; P887-L891 WeakPolarHBondContact O-CB 3.3Å; P887-L891 PolarHBondContact O-N 3.05Å
888L91.3Very high89.1Confident4 Ų423.6 Ų23.62%0.02113%0.129CC..Hα-helixtrans-67.2-43.3178-67.4178.5000111.5A694 V698 F816 M875 V886 L891 L892A694-L888 HydrophobicContact CB-CD1 4.23Å; V698-L888 HydrophobicContact CG1-CD2 4.47Å; V698-L888 HydrophobicContact CG2-CB 4.02Å; V698-L888 HydrophobicContact CG2-CD2 4.14Å; F816-L888 HydrophobicContact CD2-CD1 4.46Å; F816-L888 HydrophobicContact CE2-CD1 3.94Å; M875-L888 HydrophobicContact CE-CD1 4.44Å; M875-L888 HydrophobicContact CE-CD2 4.04Å; M875-L888 HydrophobicContact CE-CG 4.25Å; M875-L888 HydrophobicContact SD-CD2 3.76Å; M875-L888 HydrophobicContact SD-CG 4.28Å; V886-L888 VanDerWaalsContact C-N 3.32Å; V886-L888 PolarHBondContact O-N 3.27Å; L888-L891 WeakPolarHBondContact O-CB 3.5Å; L888-L891 PolarHBondContact O-N 2.91Å; L888-L892 PolarHBondContact O-N 3.27Å; L888-L892 VanDerWaalsContact O-N 3.16Å
889S92Very high89.5Confident0 Ų023 Ų230%013%0.125CC..Hα-helixtrans-67.3-40.4177-51.40000111.5I681 L682 L885 V886 L891 L892 I893I681-S889 WeakPolarHBondContact CG2-OG 3.26Å; L682-S889 WeakPolarHBondContact CD2-OG 3.33Å; L682-S889 WeakPolarHBondContact CG-OG 3.48Å; L885-S889 PolarHBondContact O-N 3.22Å; L885-S889 PolarHBondContact O-OG 2.83Å; V886-S889 PolarHBondContact O-N 3Å; S889-L891 VanDerWaalsContact C-N 3.34Å; S889-L891 PolarHBondContact O-N 2.96Å; S889-L892 PolarHBondContact O-N 3.36Å; S889-I893 WeakPolarHBondContact O-CB 3.37Å; S889-I893 VanDerWaalsContact O-CG1 3.3Å; S889-I893 WeakPolarHBondContact O-CG1 3.29Å; S889-I893 PolarHBondContact O-N 2.81Å
890F92.2Very high90.1Very high65 Ų6521.3 Ų21.329%0.28511%0.113SC..Hα-helixtrans-59.5-43.5173.3172.2-96.9000111.6F629 L874 V886 P887 S894F629-F890 HydrophobicContact CE1-CB 4.2Å; F629-F890 AromaticContact CE1-CD2 3.7Å; F629-F890 HydrophobicContact CE1-CD2 3.7Å; F629-F890 HydrophobicContact CE1-CG 4.45Å; F629-F890 HydrophobicContact CZ-CB 4.19Å; F629-F890 AromaticContact CZ-CD2 3.78Å; F629-F890 HydrophobicContact CZ-CD2 3.78Å; F629-F890 HydrophobicContact CZ-CG 4.46Å; L874-F890 HydrophobicContact CD1-CD1 4.4Å; V886-F890 VanDerWaalsContact O-CB 3.28Å; V886-F890 WeakPolarHBondContact O-CB 3.22Å; V886-F890 PolarHBondContact O-N 3.11Å; P887-F890 PolarHBondContact O-N 3.05Å; F890-S894 WeakPolarHBondContact CD2-OG 3.41Å; F890-S894 WeakPolarHBondContact CE2-OG 3.41Å; F890-S894 WeakPolarHBondContact CZ-OG 3.2Å; F890-S894 WeakPolarHBondContact O-CB 3.32Å; F890-S894 PolarHBondContact O-N 2.89Å; F890-S894 PolarHBondContact O-OG 2.87Å
891L93.1Very high90.8Very high1 Ų120.4 Ų20.41%0.00512%0.115CC..Hα-helixtrans-59.5-49177.2178.961.1000111.1V698 C867 F868 T871 P887 L888 S889 T895V698-L891 HydrophobicContact CG1-CD2 4.01Å; C867-L891 HydrophobicContact CB-CD1 3.89Å; F868-L891 HydrophobicContact CD2-CD1 3.79Å; F868-L891 HydrophobicContact CE1-CD2 4.45Å; F868-L891 HydrophobicContact CE2-CD1 3.86Å; F868-L891 HydrophobicContact CG-CD1 4.29Å; F868-L891 HydrophobicContact CZ-CD1 4.45Å; F868-L891 HydrophobicContact CZ-CD2 4.42Å; T871-L891 HydrophobicContact CG2-CB 4.25Å; T871-L891 HydrophobicContact CG2-CD2 4.09Å; P887-L891 WeakPolarHBondContact O-CB 3.3Å; P887-L891 PolarHBondContact O-N 3.05Å; L888-L891 WeakPolarHBondContact O-CB 3.5Å; L888-L891 PolarHBondContact O-N 2.91Å; S889-L891 VanDerWaalsContact C-N 3.34Å; S889-L891 PolarHBondContact O-N 2.96Å; L891-T895 HydrophobicContact CD1-CG2 3.91Å; L891-T895 WeakPolarHBondContact O-CB 3.32Å; L891-T895 WeakPolarHBondContact O-CG2 3.46Å; L891-T895 PolarHBondContact O-N 2.88Å; L891-T895 VanDerWaalsContact O-N 3.07Å; L891-T895 PolarHBondContact O-OG1 3Å
892L94.5Very high91.2Very high0 Ų019.4 Ų19.40%011%0.109CC..Hα-helixtrans-61.8-50.9178.6-77.3169.5000112.4S677 I681 V698 C701 T702 L888 S889 T895 A896S677-L892 WeakPolarHBondContact OG-CD1 3.47Å; I681-L892 HydrophobicContact CD1-CD1 3.93Å; V698-L892 HydrophobicContact CG2-CD1 3.71Å; V698-L892 HydrophobicContact CG2-CD2 4.5Å; V698-L892 HydrophobicContact CG2-CG 3.95Å; C701-L892 HydrophobicContact CB-CD2 4.02Å; T702-L892 HydrophobicContact CG2-CD2 4.3Å; L888-L892 PolarHBondContact O-N 3.27Å; L888-L892 VanDerWaalsContact O-N 3.16Å; S889-L892 PolarHBondContact O-N 3.36Å; L892-T895 PolarHBondContact O-OG1 2.9Å; L892-T895 VanDerWaalsContact O-OG1 3.09Å; L892-A896 WeakPolarHBondContact O-CB 3.46Å; L892-A896 PolarHBondContact O-N 2.72Å
893I94.6Very high91.6Very high3 Ų317.7 Ų17.72%0.01510%0.1CC..Hα-helixtrans-67.7-41.7-176.5-66.1165.9000111F629 I632 Y675 S889 T897F629-I893 HydrophobicContact CB-CD1 4.3Å; F629-I893 HydrophobicContact CD1-CD1 4.07Å; I632-I893 HydrophobicContact CG2-CG2 4.2Å; Y675-I893 HydrophobicContact CD1-CG2 4.44Å; Y675-I893 HydrophobicContact CE1-CG2 4.18Å; S889-I893 WeakPolarHBondContact O-CB 3.37Å; S889-I893 VanDerWaalsContact O-CG1 3.3Å; S889-I893 WeakPolarHBondContact O-CG1 3.29Å; S889-I893 PolarHBondContact O-N 2.81Å; I893-T897 VanDerWaalsContact O-CB 3.26Å; I893-T897 WeakPolarHBondContact O-CB 3.17Å; I893-T897 PolarHBondContact O-N 3.33Å; I893-T897 PolarHBondContact O-OG1 2.8Å
894S93Very high91.7Very high27 Ų2714.2 Ų14.219%0.1898%0.082CC..Hα-helixtrans-69.6-43.1-177.9-59.10000112F890 T897 N898F890-S894 WeakPolarHBondContact CD2-OG 3.41Å; F890-S894 WeakPolarHBondContact CE2-OG 3.41Å; F890-S894 WeakPolarHBondContact CZ-OG 3.2Å; F890-S894 WeakPolarHBondContact O-CB 3.32Å; F890-S894 PolarHBondContact O-N 2.89Å; F890-S894 PolarHBondContact O-OG 2.87Å; S894-T897 PolarHBondContact O-N 2.97Å; S894-N898 VanDerWaalsContact O-CB 3.3Å; S894-N898 WeakPolarHBondContact O-CB 3.02Å; S894-N898 PolarHBondContact O-N 2.82Å
895T93.7Very high91.7Very high1 Ų117 Ų171%0.00610%0.097CC..Hα-helixtrans-64.8-45176.6540000111C867 F868 L891 L892 T897 N898 E899C867-T895 HydrophobicContact CB-CG2 4.36Å; F868-T895 HydrophobicContact CE2-CG2 4.09Å; L891-T895 HydrophobicContact CD1-CG2 3.91Å; L891-T895 WeakPolarHBondContact O-CB 3.32Å; L891-T895 WeakPolarHBondContact O-CG2 3.46Å; L891-T895 PolarHBondContact O-N 2.88Å; L891-T895 VanDerWaalsContact O-N 3.07Å; L891-T895 PolarHBondContact O-OG1 3Å; L892-T895 PolarHBondContact O-OG1 2.9Å; L892-T895 VanDerWaalsContact O-OG1 3.09Å; T895-T897 PolarHBondContact O-N 2.84Å; T895-N898 PolarHBondContact O-N 2.91Å; T895-E899 WeakPolarHBondContact O-CB 3.33Å; T895-E899 VanDerWaalsContact O-CG 3.24Å; T895-E899 WeakPolarHBondContact O-CG 3.43Å; T895-E899 PolarHBondContact O-N 2.91Å
896A95Very high91.4Very high0 Ų019.6 Ų19.60%011%0.114CC..Hα-helixtrans-59.2-4417500000112.4I671 Y675 L892 E899 F900I671-A896 HydrophobicContact CG2-CB 4.14Å; Y675-A896 HydrophobicContact CD1-CB 4.38Å; Y675-A896 HydrophobicContact CD2-CB 4.21Å; Y675-A896 HydrophobicContact CE1-CB 4.15Å; Y675-A896 HydrophobicContact CE2-CB 3.99Å; Y675-A896 HydrophobicContact CG-CB 4.41Å; L892-A896 WeakPolarHBondContact O-CB 3.46Å; L892-A896 PolarHBondContact O-N 2.72Å; A896-E899 PolarHBondContact O-N 2.97Å; A896-F900 VanDerWaalsContact O-CB 3.22Å; A896-F900 WeakPolarHBondContact O-CB 3.38Å; A896-F900 PolarHBondContact O-N 2.89Å
897T94.1Very high91.1Very high42 Ų4219.9 Ų19.926%0.25811%0.114SC..Hα-helixtrans-67-41.6179.8-570000112.2Y675 I893 S894 T895 S901Y675-T897 WeakPolarHBondContact CE1-OG1 3.26Å; Y675-T897 WeakPolarHBondContact OH-CA 3.5Å; Y675-T897 WeakPolarHBondContact OH-CB 2.95Å; Y675-T897 PolarHBondContact OH-N 3.27Å; Y675-T897 PolarHBondContact OH-OG1 2.88Å; I893-T897 VanDerWaalsContact O-CB 3.26Å; I893-T897 WeakPolarHBondContact O-CB 3.17Å; I893-T897 PolarHBondContact O-N 3.33Å; I893-T897 PolarHBondContact O-OG1 2.8Å; S894-T897 PolarHBondContact O-N 2.97Å; T895-T897 PolarHBondContact O-N 2.84Å; T897-S901 WeakPolarHBondContact O-CB 3.23Å; T897-S901 PolarHBondContact O-N 3.46Å; T897-S901 PolarHBondContact O-OG 2.84Å
898N94.4Very high90.8Very high15 Ų1520.2 Ų20.28%0.0812%0.115CC..Hα-helixtrans-63.4-47.8175.8179.837.4000111.3V860 I863 N864 S894 T895 F900 S901 V902V860-N898 WeakPolarHBondContact CA-ND2 3.24Å; V860-N898 PolarHBondContact O-ND2 3.02Å; I863-N898 WeakPolarHBondContact CB-ND2 3.33Å; I863-N898 HydrophobicContact CG2-CB 4.31Å; I863-N898 WeakPolarHBondContact CG2-ND2 3.41Å; N864-N898 PolarHBondContact OD1-ND2 2.73Å; S894-N898 VanDerWaalsContact O-CB 3.3Å; S894-N898 WeakPolarHBondContact O-CB 3.02Å; S894-N898 PolarHBondContact O-N 2.82Å; T895-N898 PolarHBondContact O-N 2.91Å; N898-F900 PolarHBondContact O-N 3.17Å; N898-S901 PolarHBondContact O-N 3.01Å; N898-V902 WeakPolarHBondContact O-CB 3.22Å; N898-V902 WeakPolarHBondContact O-CG2 3.38Å; N898-V902 PolarHBondContact O-N 3.05Å
899E93.2Very high90.4Very high0 Ų025.6 Ų25.60%014%0.136CC..Hα-helixtrans-61.8-44.6177.7-71.2172.5-168.800112.3I671 T705 I709 V860 T895 A896 L903I671-E899 HydrophobicContact CD1-CB 3.89Å; I671-E899 HydrophobicContact CG1-CB 4.18Å; I671-E899 WeakPolarHBondContact CG1-OE2 3.14Å; T705-E899 WeakPolarHBondContact CB-OE1 3.39Å; T705-E899 WeakPolarHBondContact CB-OE2 3.46Å; T705-E899 WeakPolarHBondContact CG2-OE2 3.34Å; T705-E899 PolarHBondContact OG1-OE1 2.85Å; I709-E899 HydrophobicContact CD1-CG 4.06Å; V860-E899 HydrophobicContact CG1-CG 3.79Å; T895-E899 WeakPolarHBondContact O-CB 3.33Å; T895-E899 VanDerWaalsContact O-CG 3.24Å; T895-E899 WeakPolarHBondContact O-CG 3.43Å; T895-E899 PolarHBondContact O-N 2.91Å; A896-E899 PolarHBondContact O-N 2.97Å; E899-L903 VanDerWaalsContact O-CB 3.22Å; E899-L903 WeakPolarHBondContact O-CB 3.33Å; E899-L903 PolarHBondContact O-N 3.03Å
900F93.1Very high90Very high4 Ų426.9 Ų26.92%0.01814%0.143CC..Iπ-helixtrans-63.4-50.2177178.6-114.9000111.9L639 C640 V643 I671 A896 N898 V902 I904 L905L639-F900 HydrophobicContact CB-CE1 3.74Å; L639-F900 HydrophobicContact CB-CZ 3.78Å; C640-F900 HydrophobicContact CB-CD2 4.14Å; C640-F900 HydrophobicContact CB-CE2 4Å; C640-F900 HydrophobicContact CB-CZ 4.39Å; V643-F900 HydrophobicContact CB-CE2 3.97Å; V643-F900 HydrophobicContact CB-CZ 4.27Å; V643-F900 HydrophobicContact CG1-CE2 3.98Å; V643-F900 HydrophobicContact CG2-CE2 4.09Å; V643-F900 HydrophobicContact CG2-CZ 3.93Å; I671-F900 HydrophobicContact CD1-CB 4.45Å; I671-F900 HydrophobicContact CG2-CB 4.22Å; A896-F900 VanDerWaalsContact O-CB 3.22Å; A896-F900 WeakPolarHBondContact O-CB 3.38Å; A896-F900 PolarHBondContact O-N 2.89Å; N898-F900 PolarHBondContact O-N 3.17Å; F900-V902 PolarHBondContact O-N 2.68Å; F900-I904 HydrophobicContact CD2-CB 4.08Å; F900-I904 HydrophobicContact CD2-CD1 4.16Å; F900-I904 HydrophobicContact CD2-CG2 4.04Å; F900-I904 HydrophobicContact CE2-CB 4.47Å; F900-I904 HydrophobicContact CE2-CG2 3.96Å; F900-I904 WeakPolarHBondContact O-CB 3.28Å; F900-I904 PolarHBondContact O-N 3.49Å; F900-L905 HydrophobicContact CD1-CD1 4.49Å; F900-L905 HydrophobicContact CD1-CD2 4.49Å; F900-L905 HydrophobicContact CD1-CG 4.3Å; F900-L905 HydrophobicContact CE1-CD1 4.23Å; F900-L905 HydrophobicContact CE1-CD2 3.68Å; F900-L905 HydrophobicContact CE1-CG 3.96Å; F900-L905 HydrophobicContact CE2-CD2 4.23Å; F900-L905 HydrophobicContact CZ-CD2 3.52Å; F900-L905 HydrophobicContact CZ-CG 4.14Å; F900-L905 PolarHBondContact O-N 3.41Å
901S90Very high89.6Confident51 Ų5124.3 Ų24.336%0.35713%0.132SC..Iπ-helixtrans-67.1-37.7-173.7-58.20000112.6T897 N898T897-S901 WeakPolarHBondContact O-CB 3.23Å; T897-S901 PolarHBondContact O-N 3.46Å; T897-S901 PolarHBondContact O-OG 2.84Å; N898-S901 PolarHBondContact O-N 3.01Å
902V90.5Very high89.1Confident29 Ų2927.9 Ų27.918%0.17615%0.151CC..Iπ-helixtrans-96.2-37.3-172.2178.70000112.3A856 F859 V860 N898 F900 P906A856-V902 HydrophobicContact CB-CG1 3.79Å; A856-V902 WeakPolarHBondContact O-CG1 3.44Å; F859-V902 HydrophobicContact CD1-CB 4.48Å; F859-V902 HydrophobicContact CD1-CG1 3.96Å; F859-V902 HydrophobicContact CD1-CG2 3.73Å; F859-V902 HydrophobicContact CE1-CG2 3.82Å; V860-V902 HydrophobicContact CG2-CB 3.47Å; V860-V902 VanDerWaalsContact CG2-CB 3.47Å; V860-V902 HydrophobicContact CG2-CG1 3.55Å; V860-V902 HydrophobicContact CG2-CG2 4.18Å; N898-V902 WeakPolarHBondContact O-CB 3.22Å; N898-V902 WeakPolarHBondContact O-CG2 3.38Å; N898-V902 PolarHBondContact O-N 3.05Å; F900-V902 PolarHBondContact O-N 2.68Å; V902-P906 WeakPolarHBondContact O-CG 3.39Å
903L88.4Confident88.7Confident6 Ų634.5 Ų34.53%0.03118%0.18CC..Iπ-helixtrans-94.2-24.4-175-54.5177.8000114L667 I709 A856 L857 V860 E899 K907L667-L903 HydrophobicContact CD2-CD1 4.15Å; I709-L903 HydrophobicContact CD1-CD1 4.25Å; I709-L903 HydrophobicContact CG1-CD1 4.2Å; A856-L903 HydrophobicContact CB-CD2 4.32Å; L857-L903 HydrophobicContact CD2-CD1 4.2Å; L857-L903 HydrophobicContact CD2-CD2 3.75Å; L857-L903 HydrophobicContact CG-CD2 4.04Å; V860-L903 HydrophobicContact CB-CD2 4.47Å; V860-L903 HydrophobicContact CG1-CD1 4.34Å; V860-L903 HydrophobicContact CG2-CD1 4.21Å; V860-L903 HydrophobicContact CG2-CD2 3.81Å; V860-L903 HydrophobicContact CG2-CG 3.73Å; E899-L903 VanDerWaalsContact O-CB 3.22Å; E899-L903 WeakPolarHBondContact O-CB 3.33Å; E899-L903 PolarHBondContact O-N 3.03Å; L903-K907 WeakPolarHBondContact O-CE 3.49Å
904I87.3Confident88.1Confident6 Ų639.3 Ų39.33%0.03120%0.198CC..Iπ-helixtrans-112.6-52.8-169.1-65.6167.8000111.6V643 L667 F668 I671 F900 P906 K907 I908V643-I904 HydrophobicContact CG1-CG2 3.36Å; L667-I904 HydrophobicContact CD2-CD1 4.47Å; F668-I904 HydrophobicContact CD1-CD1 3.9Å; F668-I904 HydrophobicContact CE1-CD1 3.59Å; F668-I904 HydrophobicContact CE1-CG1 4.31Å; F668-I904 HydrophobicContact CE1-CG2 3.69Å; F668-I904 HydrophobicContact CE2-CD1 4.47Å; F668-I904 HydrophobicContact CG-CD1 4.48Å; F668-I904 HydrophobicContact CZ-CB 4.47Å; F668-I904 HydrophobicContact CZ-CD1 3.9Å; F668-I904 HydrophobicContact CZ-CG1 4.17Å; F668-I904 HydrophobicContact CZ-CG2 3.48Å; F668-I904 VanDerWaalsContact CZ-CG2 3.48Å; I671-I904 HydrophobicContact CD1-CD1 3.44Å; I671-I904 VanDerWaalsContact CD1-CD1 3.44Å; F900-I904 HydrophobicContact CD2-CB 4.08Å; F900-I904 HydrophobicContact CD2-CD1 4.16Å; F900-I904 HydrophobicContact CD2-CG2 4.04Å; F900-I904 HydrophobicContact CE2-CB 4.47Å; F900-I904 HydrophobicContact CE2-CG2 3.96Å; F900-I904 WeakPolarHBondContact O-CB 3.28Å; F900-I904 PolarHBondContact O-N 3.49Å; I904-P906 VanDerWaalsContact C-CD 3.45Å; I904-K907 WeakPolarHBondContact O-CB 3.46Å; I904-K907 PolarHBondContact O-N 3.46Å; I904-I908 PolarHBondContact O-N 3.1Å
905L84.5Confident87.5Confident66 Ų6641.7 Ų41.735%0.34621%0.213SC..Hα-helixtrans-53.4-41.3-176.6-71.1-177.5000114.6V643 F900 K907 I908 Y909V643-L905 HydrophobicContact CG2-CD2 4.45Å; F900-L905 HydrophobicContact CD1-CD1 4.49Å; F900-L905 HydrophobicContact CD1-CD2 4.49Å; F900-L905 HydrophobicContact CD1-CG 4.3Å; F900-L905 HydrophobicContact CE1-CD1 4.23Å; F900-L905 HydrophobicContact CE1-CD2 3.68Å; F900-L905 HydrophobicContact CE1-CG 3.96Å; F900-L905 HydrophobicContact CE2-CD2 4.23Å; F900-L905 HydrophobicContact CZ-CD2 3.52Å; F900-L905 HydrophobicContact CZ-CG 4.14Å; F900-L905 PolarHBondContact O-N 3.41Å; L905-K907 PolarHBondContact O-N 3.41Å; L905-I908 PolarHBondContact O-N 2.65Å; L905-I908 VanDerWaalsContact O-N 3.12Å; L905-Y909 PolarHBondContact O-N 2.91Å
906P84.4Confident86.7Confident66 Ų6648.3 Ų48.343%0.42924%0.238SC..Hα-helixtrans-60.4-30.6179.3-26.236.3000113.5V902 I904 I910V902-P906 WeakPolarHBondContact O-CG 3.39Å; I904-P906 VanDerWaalsContact C-CD 3.45Å; P906-I910 WeakPolarHBondContact O-CG1 3.47Å; P906-I910 PolarHBondContact O-N 3.05Å
907K82.8Confident85.7Confident26 Ų2652.9 Ų52.911%0.11326%0.258CS..Hα-helixtrans-72.5-40.1178-59.9-179.1-171.4157.90111.3I655 S659 L903 I904 L905 I910 I911I655-K907 HydrophobicContact CD1-CB 4.48Å; S659-K907 PolarHBondContact OG-NZ 3.09Å; L903-K907 WeakPolarHBondContact O-CE 3.49Å; I904-K907 WeakPolarHBondContact O-CB 3.46Å; I904-K907 PolarHBondContact O-N 3.46Å; L905-K907 PolarHBondContact O-N 3.41Å; K907-I910 PolarHBondContact O-N 3.49Å; K907-I911 WeakPolarHBondContact O-CD1 3.07Å; K907-I911 VanDerWaalsContact O-CG1 3.29Å; K907-I911 WeakPolarHBondContact O-CG1 3.06Å; K907-I911 PolarHBondContact O-N 3.1Å
908I84.1Confident84.9Confident12 Ų1251.9 Ų51.96%0.06225%0.251CS..Hα-helixtrans-66.7-41.9177-67-57.8000111.3V643 I646 C647 I904 L905 I910 I911 L912V643-I908 HydrophobicContact CB-CG1 4.2Å; V643-I908 HydrophobicContact CG1-CD1 3.83Å; V643-I908 HydrophobicContact CG1-CG1 3.43Å; V643-I908 VanDerWaalsContact CG1-CG1 3.43Å; V643-I908 HydrophobicContact CG2-CG1 3.92Å; V643-I908 HydrophobicContact CG2-CG2 4.32Å; I646-I908 HydrophobicContact CB-CD1 4.33Å; I646-I908 HydrophobicContact CG2-CD1 3.89Å; C647-I908 VanDerWaalsContact SG-CD1 3.6Å; I904-I908 PolarHBondContact O-N 3.1Å; L905-I908 PolarHBondContact O-N 2.65Å; L905-I908 VanDerWaalsContact O-N 3.12Å; I908-I910 PolarHBondContact O-N 3.24Å; I908-I911 HydrophobicContact CD1-CD1 4.14Å; I908-I911 PolarHBondContact O-N 3.28Å; I908-L912 HydrophobicContact CG2-CD1 3.6Å; I908-L912 HydrophobicContact CG2-CG 4.09Å; I908-L912 PolarHBondContact O-N 2.7Å
909Y84.4Confident84Confident117 Ų11754.1 Ų54.146%0.45927%0.265SS..Hα-helixtrans-55.3-41.8173.6177.2-96.7000111.6L905 F913 R914L905-Y909 PolarHBondContact O-N 2.91Å; Y909-F913 HydrophobicContact CD2-CB 4.24Å; Y909-F913 AromaticContact CD2-CD2 3.57Å; Y909-F913 HydrophobicContact CD2-CD2 3.57Å; Y909-F913 HydrophobicContact CD2-CE2 4.34Å; Y909-F913 HydrophobicContact CD2-CG 4.24Å; Y909-F913 HydrophobicContact CE2-CB 3.98Å; Y909-F913 AromaticContact CE2-CD2 3.92Å; Y909-F913 HydrophobicContact CE2-CD2 3.92Å; Y909-F913 HydrophobicContact CE2-CG 4.16Å; Y909-F913 HydrophobicContact CG-CD2 4.37Å; Y909-F913 WeakPolarHBondContact O-CB 2.97Å; Y909-F913 PolarHBondContact O-N 3.03Å; Y909-R914 HydrophobicContact CD1-CG 4.48Å; Y909-R914 HydrophobicContact CE1-CG 3.79Å; Y909-R914 PolarHBondContact O-N 2.83Å
910I83Confident82.9Confident27 Ų2762.7 Ų62.714%0.13830%0.298CS..Hα-helixtrans-66.8-42.1175.6-67.5165.2000111.8I655 P906 K907 I908 R914 K917 N918I655-I910 HydrophobicContact CD1-CB 3.87Å; I655-I910 HydrophobicContact CD1-CD1 3.7Å; I655-I910 HydrophobicContact CD1-CG1 4.4Å; I655-I910 HydrophobicContact CD1-CG2 3.66Å; P906-I910 WeakPolarHBondContact O-CG1 3.47Å; P906-I910 PolarHBondContact O-N 3.05Å; K907-I910 PolarHBondContact O-N 3.49Å; I908-I910 PolarHBondContact O-N 3.24Å; I910-R914 CarbonylContact O-C 3.56Å; I910-R914 WeakPolarHBondContact O-CA 3.2Å; I910-R914 PolarHBondContact O-N 3.34Å; I910-R914 VanDerWaalsContact O-O 3.06Å; I910-K917 HydrophobicContact CG2-CB 3.95Å; I910-N918 HydrophobicContact CG2-CB 4.39Å
911I83.5Confident81.5Confident11 Ų1165.3 Ų65.36%0.05632%0.32CS..Hα-helixtrans-64.9-43.8-179.4-70.1161.6000111.6I646 Y650 I655 I656 K907 I908I646-I911 HydrophobicContact CG2-CG2 4.43Å; Y650-I911 HydrophobicContact CD1-CG2 4.45Å; Y650-I911 HydrophobicContact CD2-CG2 3.75Å; Y650-I911 HydrophobicContact CE2-CG2 4.2Å; Y650-I911 HydrophobicContact CG-CG2 3.88Å; I655-I911 HydrophobicContact CG2-CD1 3.84Å; I655-I911 HydrophobicContact CG2-CG1 3.71Å; I656-I911 HydrophobicContact CD1-CD1 3.73Å; I656-I911 HydrophobicContact CG1-CD1 3.85Å; K907-I911 WeakPolarHBondContact O-CD1 3.07Å; K907-I911 VanDerWaalsContact O-CG1 3.29Å; K907-I911 WeakPolarHBondContact O-CG1 3.06Å; K907-I911 PolarHBondContact O-N 3.1Å; I908-I911 HydrophobicContact CD1-CD1 4.14Å; I908-I911 PolarHBondContact O-N 3.28Å
912L82.4Confident80.3Confident77 Ų7764 Ų6440%0.40331%0.311SS..Hα-helixtrans-86.2-47.7-173.9-63.7178.2000113.1I646 I908I646-L912 HydrophobicContact CD1-CD1 4.23Å; I646-L912 HydrophobicContact CG2-CD2 4.31Å; I908-L912 HydrophobicContact CG2-CD1 3.6Å; I908-L912 HydrophobicContact CG2-CG 4.09Å; I908-L912 PolarHBondContact O-N 2.7Å
913F86.1Confident78.9Confident138 Ų13864.5 Ų64.561%0.60531%0.312SS*.Hα-helixtrans-104.5-19.9-168.8-60.8-73.9000114Y909 P915Y909-F913 HydrophobicContact CD2-CB 4.24Å; Y909-F913 AromaticContact CD2-CD2 3.57Å; Y909-F913 HydrophobicContact CD2-CD2 3.57Å; Y909-F913 HydrophobicContact CD2-CE2 4.34Å; Y909-F913 HydrophobicContact CD2-CG 4.24Å; Y909-F913 HydrophobicContact CE2-CB 3.98Å; Y909-F913 AromaticContact CE2-CD2 3.92Å; Y909-F913 HydrophobicContact CE2-CD2 3.92Å; Y909-F913 HydrophobicContact CE2-CG 4.16Å; Y909-F913 HydrophobicContact CG-CD2 4.37Å; Y909-F913 WeakPolarHBondContact O-CB 2.97Å; Y909-F913 PolarHBondContact O-N 3.03Å; F913-P915 VanDerWaalsContact C-CD 3.41Å
914R83.2Confident77.4Confident105 Ų10568.9 Ų68.940%0.39633%0.334SS..  trans-130.953-178.8-57.4-68.2-171.7-163.111112Y909 I910 Y916 K917Y909-R914 HydrophobicContact CD1-CG 4.48Å; Y909-R914 HydrophobicContact CE1-CG 3.79Å; Y909-R914 PolarHBondContact O-N 2.83Å; I910-R914 CarbonylContact O-C 3.56Å; I910-R914 WeakPolarHBondContact O-CA 3.2Å; I910-R914 PolarHBondContact O-N 3.34Å; I910-R914 VanDerWaalsContact O-O 3.06Å; R914-Y916 HydrophobicContact CB-CD1 4.39Å; R914-Y916 HydrophobicContact CB-CE1 3.89Å; R914-Y916 VanDerWaalsContact CD-CE1 3.4Å; R914-Y916 HydrophobicContact CG-CE1 4.25Å; R914-Y916 PolarHBondContact O-N 2.99Å; R914-Y916 VanDerWaalsContact O-N 3.09Å; R914-K917 HydrophobicContact CB-CD 4.26Å; R914-K917 HydrophobicContact CB-CG 4.34Å; R914-K917 WeakPolarHBondContact O-CB 3.4Å; R914-K917 PolarHBondContact O-N 3.45Å
915P80.1Confident75.6Confident77 Ų7774.8 Ų74.850%0.536%0.361SS..G310 helixtrans-61.1-24.6-174.125.9-35.6000113.2F913 K917 N918F913-P915 VanDerWaalsContact C-CD 3.41Å; P915-K917 PolarHBondContact O-N 2.82Å; P915-N918 WeakPolarHBondContact O-CA 3.13Å; P915-N918 VanDerWaalsContact O-CB 3.26Å; P915-N918 WeakPolarHBondContact O-CB 3.48Å; P915-N918 PolarHBondContact O-N 3.1Å
916Y76.8Confident73.8Confident140 Ų14077 Ų7755%0.54937%0.365SS..G310 helixtrans-60.1-26172.869.6-89.7000113.2R914 N918R914-Y916 HydrophobicContact CB-CD1 4.39Å; R914-Y916 HydrophobicContact CB-CE1 3.89Å; R914-Y916 VanDerWaalsContact CD-CE1 3.4Å; R914-Y916 HydrophobicContact CG-CE1 4.25Å; R914-Y916 PolarHBondContact O-N 2.99Å; R914-Y916 VanDerWaalsContact O-N 3.09Å; Y916-N918 VanDerWaalsContact C-N 3.28Å
917K74.1Confident71.8Confident96 Ų9678 Ų7842%0.41737%0.366SS..G310 helixtrans-80.9-7172.7-62.2-172.1178.9-179.20113I910 R914 P915 S922I910-K917 HydrophobicContact CG2-CB 3.95Å; R914-K917 HydrophobicContact CB-CD 4.26Å; R914-K917 HydrophobicContact CB-CG 4.34Å; R914-K917 WeakPolarHBondContact O-CB 3.4Å; R914-K917 PolarHBondContact O-N 3.45Å; P915-K917 PolarHBondContact O-N 2.82Å; K917-S922 PolarHBondContact O-OG 3.47Å
918N76.6Confident69.8Low20 Ų2084.7 Ų84.711%0.10739%0.391CS..SBendtrans-98.138.1-179.3-16716.5000112.7T653 I655 I910 P915 Y916T653-N918 VanDerWaalsContact CB-ND2 3.35Å; T653-N918 WeakPolarHBondContact CB-ND2 3.33Å; T653-N918 WeakPolarHBondContact CG2-ND2 3.31Å; I655-N918 WeakPolarHBondContact CB-OD1 3.34Å; I655-N918 VanDerWaalsContact CG2-OD1 3.27Å; I655-N918 WeakPolarHBondContact CG2-OD1 3.34Å; I655-N918 PolarHBondContact N-OD1 3Å; I910-N918 HydrophobicContact CG2-CB 4.39Å; P915-N918 WeakPolarHBondContact O-CA 3.13Å; P915-N918 VanDerWaalsContact O-CB 3.26Å; P915-N918 WeakPolarHBondContact O-CB 3.48Å; P915-N918 PolarHBondContact O-N 3.1Å; Y916-N918 VanDerWaalsContact C-N 3.28Å
919T76.5Confident67.7Low62 Ų6286 Ų8638%0.3841%0.407SS..SBendtrans-105.4154.6173.465.70000110.3A921 S922 I923T919-A921 PolarHBondContact O-N 3.44Å; T919-S922 PolarHBondContact N-OG 3.01Å; T919-S922 PolarHBondContact O-N 3.26Å; T919-S922 PolarHBondContact O-OG 3.34Å; T919-S922 WeakPolarHBondContact OG1-CB 3.46Å; T919-S922 PolarHBondContact OG1-N 3Å; T919-S922 PolarHBondContact OG1-OG 3.24Å; T919-I923 WeakPolarHBondContact O-CG1 3.28Å; T919-I923 PolarHBondContact O-N 3.23Å
920R70.2Confident65.7Low181 Ų18183.5 Ų83.568%0.68340%0.401SS*.Hα-helixtrans-57.3-37.4172-72.2-170.9-175.5-177.15.8110.5P654 M924P654-R920 HydrophobicContact CB-CG 4.16Å; P654-R920 HydrophobicContact CG-CG 3.87Å; R920-M924 WeakPolarHBondContact O-CB 3.43Å; R920-M924 WeakPolarHBondContact O-CG 3.36Å; R920-M924 PolarHBondContact O-N 3.29Å
921A63.7Low63.9Low59 Ų5985.5 Ų85.549%0.48842%0.418SS..Hα-helixtrans-66.5-42.3178.800000112.3T919 M924 Q925T919-A921 PolarHBondContact O-N 3.44Å; A921-M924 CarbonylContact O-C 3.55Å; A921-M924 PolarHBondContact O-N 3.21Å; A921-Q925 WeakPolarHBondContact O-CA 3.29Å; A921-Q925 WeakPolarHBondContact O-CB 3.35Å; A921-Q925 VanDerWaalsContact O-CG 3.29Å; A921-Q925 WeakPolarHBondContact O-CG 3.42Å; A921-Q925 PolarHBondContact O-N 3.11Å
922S63.9Low61.8Low23 Ų2391.9 Ų91.916%0.16145%0.447CS..Hα-helixtrans-71.1-37.1177.658.90000112.7K917 T919 Q925 R926K917-S922 PolarHBondContact O-OG 3.47Å; T919-S922 PolarHBondContact N-OG 3.01Å; T919-S922 PolarHBondContact O-N 3.26Å; T919-S922 PolarHBondContact O-OG 3.34Å; T919-S922 WeakPolarHBondContact OG1-CB 3.46Å; T919-S922 PolarHBondContact OG1-N 3Å; T919-S922 PolarHBondContact OG1-OG 3.24Å; S922-Q925 PolarHBondContact O-N 3.17Å; S922-R926 PolarHBondContact O-N 3.35Å
923I60.9Low60.1Low39 Ų3991.4 Ų91.420%0.245%0.448CS..Hα-helixtrans-68.1-37.8173.9-62.9-178.4000110.7P654 I655 T919 R926P654-I923 HydrophobicContact CB-CD1 3.44Å; P654-I923 VanDerWaalsContact CB-CD1 3.44Å; I655-I923 HydrophobicContact CB-CD1 3.97Å; I655-I923 VanDerWaalsContact N-CD1 3.32Å; T919-I923 WeakPolarHBondContact O-CG1 3.28Å; T919-I923 PolarHBondContact O-N 3.23Å; I923-R926 WeakPolarHBondContact O-CB 3.5Å
924M56.2Low58.1Low98 Ų9890.6 Ų90.648%0.48345%0.446SS..Hα-helixtrans-83.4-19.1175-65.2-78.6179.900113.4R920 A921 R926 L927 R928R920-M924 WeakPolarHBondContact O-CB 3.43Å; R920-M924 WeakPolarHBondContact O-CG 3.36Å; R920-M924 PolarHBondContact O-N 3.29Å; A921-M924 CarbonylContact O-C 3.55Å; A921-M924 PolarHBondContact O-N 3.21Å; M924-R926 VanDerWaalsContact C-N 3.3Å; M924-L927 HydrophobicContact CE-CD1 4.46Å; M924-L927 HydrophobicContact CG-CD1 4.47Å; M924-L927 CarbonylContact O-C 3.38Å; M924-L927 VanDerWaalsContact O-CA 3.24Å; M924-L927 WeakPolarHBondContact O-CA 3.4Å; M924-L927 WeakPolarHBondContact O-CB 3.43Å; M924-L927 PolarHBondContact O-N 3.25Å; M924-L927 HydrophobicContact SD-CD1 3.36Å; M924-L927 WeakPolarHBondContact SD-CD1 3.21Å; M924-R928 WeakPolarHBondContact O-CG 3.03Å; M924-R928 PolarHBondContact O-N 3.11Å
925Q50.1Low56.1Low130 Ų13088.7 Ų88.761%0.60745%0.448SS*.Hα-helixtrans-73.8-28172.3-93.7178.4-3100110A921 S922 L927 R928 G929A921-Q925 WeakPolarHBondContact O-CA 3.29Å; A921-Q925 WeakPolarHBondContact O-CB 3.35Å; A921-Q925 VanDerWaalsContact O-CG 3.29Å; A921-Q925 WeakPolarHBondContact O-CG 3.42Å; A921-Q925 PolarHBondContact O-N 3.11Å; S922-Q925 PolarHBondContact O-N 3.17Å; Q925-L927 PolarHBondContact O-N 2.93Å; Q925-R928 PolarHBondContact O-N 2.69Å; Q925-G929 WeakPolarHBondContact O-CA 3.43Å; Q925-G929 PolarHBondContact O-N 3.15Å
926R47.7Very low54.4Low114 Ų11488.4 Ų88.443%0.4345%0.445SS..Hα-helixtrans-60.5-23.5160.3-85.4170.6160.1-174.5-0.5113.3G850 S922 I923 M924G850-R926 WeakPolarHBondContact O-CD 3.28Å; G850-R926 PolarHBondContact O-NE 3.18Å; S922-R926 PolarHBondContact O-N 3.35Å; I923-R926 WeakPolarHBondContact O-CB 3.5Å; M924-R926 VanDerWaalsContact C-N 3.3Å
927L41.5Very low53Low85 Ų8587.8 Ų87.845%0.44545%0.447SS..Hα-helixtrans-89-33.9172-74155.5000112.8F851 M924 Q925F851-L927 HydrophobicContact CE2-CD2 3.85Å; F851-L927 HydrophobicContact CE2-CG 4.24Å; F851-L927 HydrophobicContact CZ-CD2 4.47Å; M924-L927 HydrophobicContact CE-CD1 4.46Å; M924-L927 HydrophobicContact CG-CD1 4.47Å; M924-L927 CarbonylContact O-C 3.38Å; M924-L927 VanDerWaalsContact O-CA 3.24Å; M924-L927 WeakPolarHBondContact O-CA 3.4Å; M924-L927 WeakPolarHBondContact O-CB 3.43Å; M924-L927 PolarHBondContact O-N 3.25Å; M924-L927 HydrophobicContact SD-CD1 3.36Å; M924-L927 WeakPolarHBondContact SD-CD1 3.21Å; Q925-L927 PolarHBondContact O-N 2.93Å
928R39.9Very low51.7Low167 Ų16791 Ų9163%0.6346%0.456SS*.Hα-helixtrans-92.3-23.8-176-69.2-179.4-178.7168.3-1.1115.1M924 Q925 L930 S931 Q932M924-R928 WeakPolarHBondContact O-CG 3.03Å; M924-R928 PolarHBondContact O-N 3.11Å; Q925-R928 PolarHBondContact O-N 2.69Å; R928-L930 PolarHBondContact O-N 3.16Å; R928-L930 VanDerWaalsContact O-N 3.13Å; R928-S931 PolarHBondContact O-N 3.15Å; R928-S931 VanDerWaalsContact O-N 3.15Å; R928-S931 PolarHBondContact O-OG 2.99Å; R928-S931 VanDerWaalsContact O-OG 3.12Å; R928-Q932 PolarHBondContact O-N 3.26Å
929G41.4Very low50.4Low39 Ų3994.2 Ų94.240%0.40247%0.472SS..Hα-helixtrans-60.5-21.8-17800000113.4Q925 V933Q925-G929 WeakPolarHBondContact O-CA 3.43Å; Q925-G929 PolarHBondContact O-N 3.15Å; G929-V933 WeakPolarHBondContact O-CG2 3.47Å
930L42.3Very low49.1Very low65 Ų6596 Ų9634%0.3448%0.48SS..Hα-helixtrans-91-37.1172.6-85.8156.1000113.3P848 R928 Q932 V933 E934P848-L930 HydrophobicContact CB-CD1 3.58Å; P848-L930 HydrophobicContact CG-CD1 4.36Å; R928-L930 PolarHBondContact O-N 3.16Å; R928-L930 VanDerWaalsContact O-N 3.13Å; L930-Q932 PolarHBondContact O-N 3.4Å; L930-V933 PolarHBondContact O-N 3.02Å; L930-V933 VanDerWaalsContact O-N 3.14Å; L930-E934 WeakPolarHBondContact O-CB 3.35Å; L930-E934 PolarHBondContact O-N 2.87Å
931S45.9Very low48.3Very low70 Ų7091.3 Ų91.349%0.4947%0.466SS..Hα-helixtrans-63.4-28.517870.60000112.3R928 C935R928-S931 PolarHBondContact O-N 3.15Å; R928-S931 VanDerWaalsContact O-N 3.15Å; R928-S931 PolarHBondContact O-OG 2.99Å; R928-S931 VanDerWaalsContact O-OG 3.12Å; S931-C935 WeakPolarHBondContact O-CB 3.41Å; S931-C935 PolarHBondContact O-N 3.44Å
932Q38.8Very low47.4Very low144 Ų14491.4 Ų91.467%0.67346%0.46SS*.Hα-helixtrans-79.6-41172.5-80.4-172.9-39.200112.5R928 L930 C935 T936R928-Q932 PolarHBondContact O-N 3.26Å; L930-Q932 PolarHBondContact O-N 3.4Å; Q932-C935 PolarHBondContact O-N 3.01Å; Q932-T936 WeakPolarHBondContact O-CB 3.43Å; Q932-T936 PolarHBondContact O-N 3.11Å; Q932-T936 PolarHBondContact O-OG1 3.37Å
933V45.6Very low46.6Very low68 Ų6894.6 Ų94.641%0.41248%0.479SS..Hα-helixtrans-66.7-46.2179.9173.40000111.3G929 L930 C935 T936 E937G929-V933 WeakPolarHBondContact O-CG2 3.47Å; L930-V933 PolarHBondContact O-N 3.02Å; L930-V933 VanDerWaalsContact O-N 3.14Å; V933-C935 VanDerWaalsContact C-N 3.33Å; V933-C935 PolarHBondContact O-N 3.01Å; V933-T936 WeakPolarHBondContact CA-OG1 3.43Å; V933-T936 PolarHBondContact O-N 3.4Å; V933-T936 PolarHBondContact O-OG1 3.12Å; V933-E937 HydrophobicContact CG1-CG 4.47Å; V933-E937 WeakPolarHBondContact O-CB 3.46Å; V933-E937 WeakPolarHBondContact O-CG 3.25Å; V933-E937 PolarHBondContact O-N 2.98Å
934E44.6Very low46.1Very low121 Ų12197.2 Ų97.257%0.56550%0.5SS*.Hα-helixtrans-64.1-37.7174.8-73.3176.5165.800111.5L930 W938L930-E934 WeakPolarHBondContact O-CB 3.35Å; L930-E934 PolarHBondContact O-N 2.87Å; E934-W938 WeakPolarHBondContact O-CB 3.14Å; E934-W938 PolarHBondContact O-N 3.12Å
935C41Very low45.8Very low65 Ų65101.7 Ų101.744%0.43951%0.512SS..Hα-helixtrans-74.1-33177.9-157.50000111.6S931 Q932 V933 I939S931-C935 WeakPolarHBondContact O-CB 3.41Å; S931-C935 PolarHBondContact O-N 3.44Å; Q932-C935 PolarHBondContact O-N 3.01Å; V933-C935 VanDerWaalsContact C-N 3.33Å; V933-C935 PolarHBondContact O-N 3.01Å; C935-I939 WeakPolarHBondContact O-CB 3.45Å; C935-I939 VanDerWaalsContact O-CD1 3.29Å; C935-I939 WeakPolarHBondContact O-CD1 3.38Å; C935-I939 WeakPolarHBondContact O-CG1 3.41Å; C935-I939 PolarHBondContact O-N 3.5Å
936T44.9Very low45.1Very low71 Ų7199.1 Ų99.144%0.43651%0.508SS..Hα-helixtrans-73.1-38.7171.843.60000112.6Q932 V933 N940Q932-T936 WeakPolarHBondContact O-CB 3.43Å; Q932-T936 PolarHBondContact O-N 3.11Å; Q932-T936 PolarHBondContact O-OG1 3.37Å; V933-T936 WeakPolarHBondContact CA-OG1 3.43Å; V933-T936 PolarHBondContact O-N 3.4Å; V933-T936 PolarHBondContact O-OG1 3.12Å; T936-N940 WeakPolarHBondContact O-CB 3.41Å; T936-N940 PolarHBondContact O-N 3.26Å; T936-N940 PolarHBondContact O-ND2 2.94Å; T936-N940 PolarHBondContact O-OD1 3.08Å
937E46.6Very low44.6Very low126 Ų12698.8 Ų98.859%0.58952%0.524SS*.Hα-helixtrans-65.7-41.5173.9-79.4179.316100110.5V933 N940 E941V933-E937 HydrophobicContact CG1-CG 4.47Å; V933-E937 WeakPolarHBondContact O-CB 3.46Å; V933-E937 WeakPolarHBondContact O-CG 3.25Å; V933-E937 PolarHBondContact O-N 2.98Å; E937-N940 PolarHBondContact O-N 3.26Å; E937-E941 VanDerWaalsContact O-CB 3.28Å; E937-E941 WeakPolarHBondContact O-CB 3.32Å; E937-E941 PolarHBondContact O-N 2.89Å
938W46.8Very low44.5Very low164 Ų164101 Ų10162%0.62155%0.546SS*.Hα-helixtrans-71.3-40.3175.9-162.781.3000112.7E934 N940 E941 V942E934-W938 WeakPolarHBondContact O-CB 3.14Å; E934-W938 PolarHBondContact O-N 3.12Å; W938-N940 VanDerWaalsContact C-N 3.3Å; W938-N940 PolarHBondContact O-N 3.27Å; W938-E941 PolarHBondContact O-N 3.04Å; W938-V942 HydrophobicContact CD2-CG2 3.68Å; W938-V942 HydrophobicContact CE3-CG2 3.69Å; W938-V942 HydrophobicContact CG-CG2 4.44Å; W938-V942 HydrophobicContact CH2-CG2 3.68Å; W938-V942 HydrophobicContact CZ2-CG2 3.65Å; W938-V942 HydrophobicContact CZ3-CG2 3.69Å; W938-V942 WeakPolarHBondContact O-CB 3.4Å; W938-V942 VanDerWaalsContact O-CG2 3.23Å; W938-V942 WeakPolarHBondContact O-CG2 3.23Å; W938-V942 PolarHBondContact O-N 2.72Å
939I49.9Very low44.3Very low87 Ų8795.8 Ų95.845%0.44655%0.545SS..Hα-helixtrans-58.2-47.4171.3-75.9161.6000109.1C935 E941 V942 T943C935-I939 WeakPolarHBondContact O-CB 3.45Å; C935-I939 VanDerWaalsContact O-CD1 3.29Å; C935-I939 WeakPolarHBondContact O-CD1 3.38Å; C935-I939 WeakPolarHBondContact O-CG1 3.41Å; C935-I939 PolarHBondContact O-N 3.5Å; I939-E941 VanDerWaalsContact C-N 3.35Å; I939-E941 PolarHBondContact O-N 3Å; I939-V942 PolarHBondContact O-N 3.49Å; I939-T943 PolarHBondContact O-N 2.74Å; I939-T943 PolarHBondContact O-OG1 3.1Å
940N48.3Very low43.7Very low101 Ų101101.2 Ų101.254%0.5456%0.563SS.*Hα-helixtrans-63.6-38.8178.4-70.4-15.9000111.9T936 E937 W938 T943 S944T936-N940 WeakPolarHBondContact O-CB 3.41Å; T936-N940 PolarHBondContact O-N 3.26Å; T936-N940 PolarHBondContact O-ND2 2.94Å; T936-N940 PolarHBondContact O-OD1 3.08Å; E937-N940 PolarHBondContact O-N 3.26Å; W938-N940 VanDerWaalsContact C-N 3.3Å; W938-N940 PolarHBondContact O-N 3.27Å; N940-T943 WeakPolarHBondContact CA-OG1 3.47Å; N940-T943 PolarHBondContact O-OG1 2.93Å; N940-S944 VanDerWaalsContact O-CB 3.31Å; N940-S944 WeakPolarHBondContact O-CB 3.31Å; N940-S944 PolarHBondContact O-N 3.23Å; N940-S944 PolarHBondContact O-OG 2.97Å
941E53.7Low43.1Very low81 Ų81107 Ų10738%0.37959%0.585SS.*Hα-helixtrans-68.5-36.3175.9-168.6176.7177.600112.1E937 W938 I939 S944 R945E937-E941 VanDerWaalsContact O-CB 3.28Å; E937-E941 WeakPolarHBondContact O-CB 3.32Å; E937-E941 PolarHBondContact O-N 2.89Å; W938-E941 PolarHBondContact O-N 3.04Å; I939-E941 VanDerWaalsContact C-N 3.35Å; I939-E941 PolarHBondContact O-N 3Å; E941-S944 WeakPolarHBondContact CA-OG 3.47Å; E941-S944 PolarHBondContact O-OG 3.07Å; E941-R945 WeakPolarHBondContact O-CB 3.28Å; E941-R945 WeakPolarHBondContact O-CG 3.44Å; E941-R945 PolarHBondContact O-N 2.84Å; E941-R945 IonicContact OE1-CZ 2.7Å; E941-R945 IonicContact OE1-NH1 2.76Å; E941-R945 PolarHBondContact OE1-NH1 3.28Å; E941-R945 IonicContact OE1-NH2 2.92Å; E941-R945 PolarHBondContact OE1-NH2 2.83Å
942V46.5Very low42.2Very low62 Ų62109.3 Ų109.338%0.37660%0.602SS.*Hα-helixtrans-75.6-42.8176.4173.30000111.2W938 I939 S944 R945 S946W938-V942 HydrophobicContact CD2-CG2 3.68Å; W938-V942 HydrophobicContact CE3-CG2 3.69Å; W938-V942 HydrophobicContact CG-CG2 4.44Å; W938-V942 HydrophobicContact CH2-CG2 3.68Å; W938-V942 HydrophobicContact CZ2-CG2 3.65Å; W938-V942 HydrophobicContact CZ3-CG2 3.69Å; W938-V942 WeakPolarHBondContact O-CB 3.4Å; W938-V942 VanDerWaalsContact O-CG2 3.23Å; W938-V942 WeakPolarHBondContact O-CG2 3.23Å; W938-V942 PolarHBondContact O-N 2.72Å; I939-V942 PolarHBondContact O-N 3.49Å; V942-S944 VanDerWaalsContact C-N 3.26Å; V942-S944 PolarHBondContact O-N 2.86Å; V942-R945 PolarHBondContact O-N 2.83Å; V942-R945 VanDerWaalsContact O-N 3.14Å; V942-S946 PolarHBondContact O-N 3.01Å; V942-S946 PolarHBondContact O-OG 3.03Å
943T46Very low41.9Very low89 Ų89109.8 Ų109.855%0.54661%0.607SS.*Hα-helixtrans-65.4-28.2174.2390000112.9I939 N940I939-T943 PolarHBondContact O-N 2.74Å; I939-T943 PolarHBondContact O-OG1 3.1Å; N940-T943 WeakPolarHBondContact CA-OG1 3.47Å; N940-T943 PolarHBondContact O-OG1 2.93Å
944S50Low41Very low94 Ų94111.7 Ų111.766%0.65762%0.624SS**Hα-helixtrans-80.7-16.9174.756.90000113.4N940 E941 V942N940-S944 VanDerWaalsContact O-CB 3.31Å; N940-S944 WeakPolarHBondContact O-CB 3.31Å; N940-S944 PolarHBondContact O-N 3.23Å; N940-S944 PolarHBondContact O-OG 2.97Å; E941-S944 WeakPolarHBondContact CA-OG 3.47Å; E941-S944 PolarHBondContact O-OG 3.07Å; V942-S944 VanDerWaalsContact C-N 3.26Å; V942-S944 PolarHBondContact O-N 2.86Å
945R49.8Very low40.2Very low192 Ų192118.4 Ų118.473%0.72564%0.644SS**Hα-helixtrans-101.4-15.6177.2-74.5-172.8178.1142.712.4115E941 V942E941-R945 WeakPolarHBondContact O-CB 3.28Å; E941-R945 WeakPolarHBondContact O-CG 3.44Å; E941-R945 PolarHBondContact O-N 2.84Å; E941-R945 IonicContact OE1-CZ 2.7Å; E941-R945 IonicContact OE1-NH1 2.76Å; E941-R945 PolarHBondContact OE1-NH1 3.28Å; E941-R945 IonicContact OE1-NH2 2.92Å; E941-R945 PolarHBondContact OE1-NH2 2.83Å; V942-R945 PolarHBondContact O-N 2.83Å; V942-R945 VanDerWaalsContact O-N 3.14Å
946S36.6Very low39.6Very low76 Ų76117.9 Ų117.953%0.53165%0.649SS.*SBendtrans-87.3115174.866.60000110.9V942V942-S946 PolarHBondContact O-N 3.01Å; V942-S946 PolarHBondContact O-OG 3.03Å
947S35.7Very low38.7Very low108 Ų108124.6 Ų124.676%0.75567%0.673SS**  trans-54.2141.4164.842.40000110.5G949S947-G949 PolarHBondContact O-N 3.45Å
948S40.2Very low37.9Very low131 Ų131123.5 Ų123.592%0.91667%0.674SS**SBendtrans-48.898.1-176.149.40000113.3
949G35.4Very low37.4Very low58 Ų58123.5 Ų123.560%0.59869%0.686SS**  trans155.9117.1169.100000112.7S947S947-G949 PolarHBondContact O-N 3.45Å
950I30Very low36.6Very low153 Ų153125.1 Ų125.179%0.78570%0.695SS**  trans83.289.8168.2-44.4162.8000114.3
951F29.1Very low36Very low185 Ų185124.4 Ų124.481%0.81170%0.696SS**  -17893.1123.4-97-69.4000109.6I953F951-I953 HydrophobicContact CD1-CG1 4.42Å; F951-I953 PolarHBondContact O-N 3.26Å
952S27.6Very low34.9Very low120 Ų120129.4 Ų129.484%0.83971%0.712SS**  trans-82102.8162590000108.6
953I31.2Very low34.2Very low154 Ų154133.2 Ų133.279%0.7973%0.729SS**  trans-94.5101170.3-62.6178.2000107.9F951F951-I953 HydrophobicContact CD1-CG1 4.42Å; F951-I953 PolarHBondContact O-N 3.26Å
954S28.2Very low33.5Very low108 Ų108135.7 Ų135.776%0.75573%0.732SS**  trans-71153.9173.564.60000111.6G956S954-G956 PolarHBondContact O-N 2.87Å
955R27.5Very low32.9Very low261 Ų261136.4 Ų136.499%0.98573%0.728SS**  trans-6095.5-173.4-68.4170.9173.2171.2-2.8112.5
956G27.3Very low31.9Very low54 Ų54135.9 Ų135.956%0.55773%0.726SS**  trans-126.6125164.300000110.6S954 V958S954-G956 PolarHBondContact O-N 2.87Å; G956-V958 PolarHBondContact O-N 3.42Å
957K26.7Very low31.6Very low213 Ų213138 Ų13893%0.92673%0.727SS**  trans-59.599.2176.9-71173.7177.2172.90110.4L959K957-L959 PolarHBondContact O-N 3.28Å
958V29.5Very low31.3Very low103 Ų103139 Ų13962%0.62472%0.723SS**  trans-86.4106.1174.4-178.30000109.1G956 N960G956-V958 PolarHBondContact O-N 3.42Å; V958-N960 PolarHBondContact O-N 3.42Å
959L36.7Very low31Very low164 Ų164136.9 Ų136.986%0.85971%0.708SS**SBendtrans-75.62.5-175.7-148.284.1000114.5K957K957-L959 PolarHBondContact O-N 3.28Å
960N33.5Very low30.7Very low120 Ų120138.5 Ų138.564%0.64271%0.71SS**  trans-165.8102.3168.4-96.6-34.8000110.8V958 W962V958-N960 PolarHBondContact O-N 3.42Å; N960-W962 PolarHBondContact O-N 2.77Å
961P34Very low30.7Very low86 Ų86139.8 Ų139.856%0.55871%0.71SS**SBendtrans-71.5-24.2-172.5-20.232.4000115.4
962W31.4Very low30.7Very low187 Ų187134.9 Ų134.971%0.70870%0.699SS**Hα-helixtrans-77.8-29.1-168.5-107.686.7000115N960 K964N960-W962 PolarHBondContact O-N 2.77Å; W962-K964 VanDerWaalsContact C-N 3.32Å; W962-K964 PolarHBondContact O-N 2.8Å
963L32.9Very low30.8Very low141 Ų141136.2 Ų136.274%0.73870%0.696SS**Hα-helixtrans-72.4-24.7-176-91.3157.3000113.2
964K30.4Very low30.4Very low142 Ų142133 Ų13362%0.61770%0.7SS**Hα-helixtrans-92.2-24.1-176.6-143.3159.2-172174.70114.1W962 R966 E967 L968W962-K964 VanDerWaalsContact C-N 3.32Å; W962-K964 PolarHBondContact O-N 2.8Å; K964-R966 VanDerWaalsContact C-N 3.33Å; K964-E967 PolarHBondContact O-N 2.95Å; K964-L968 PolarHBondContact O-N 3.22Å
965I37.4Very low30.1Very low109 Ų109130.8 Ų130.856%0.55970%0.695SS**Hα-helixtrans-68-35.3175.7-66.3171.4000110.9L968 S969I965-L968 PolarHBondContact O-N 3.16Å; I965-S969 PolarHBondContact O-N 3.41Å
966R27.7Very low30.2Very low181 Ų181125 Ų12568%0.68369%0.691SS**Hα-helixtrans-76.2-23178.1-158174.6177.7175.4-1.3113.6K964 S969 S970K964-R966 VanDerWaalsContact C-N 3.33Å; R966-S969 PolarHBondContact O-OG 2.57Å; R966-S970 PolarHBondContact O-N 3.43Å; R966-S970 PolarHBondContact O-OG 3.45Å
967E30.4Very low30Very low121 Ų121126.7 Ų126.757%0.56570%0.7SS**Hα-helixtrans-78.3-28.9173.7-157.2171.8-163.100111.6K964K964-E967 PolarHBondContact O-N 2.95Å
968L31.2Very low29.7Very low127 Ų127121.4 Ų121.467%0.66569%0.69SS**Hα-helixtrans-80.7-31.5173-71.9165.6000112.8K964 I965 S970K964-L968 PolarHBondContact O-N 3.22Å; I965-L968 PolarHBondContact O-N 3.16Å; L968-S970 VanDerWaalsContact C-N 3.33Å; L968-S970 PolarHBondContact O-N 2.79Å
969S31.9Very low29.4Very low87 Ų87123.7 Ų123.761%0.60870%0.697SS**Hα-helixtrans-77.2-14.9178.679.90000114.3I965 R966I965-S969 PolarHBondContact O-N 3.41Å; R966-S969 PolarHBondContact O-OG 2.57Å
970S30.9Very low28.6Very low92 Ų92123.6 Ų123.664%0.64369%0.694SS**THydrogen-bonded Turntrans-97.3-11.2179.263.80000114.3R966 L968R966-S970 PolarHBondContact O-N 3.43Å; R966-S970 PolarHBondContact O-OG 3.45Å; L968-S970 VanDerWaalsContact C-N 3.33Å; L968-S970 PolarHBondContact O-N 2.79Å
971K30Very low28.3Very low180 Ų180125 Ų12578%0.78370%0.701SS**THydrogen-bonded Turntrans-114.51.5-179.7-82-176174.3177.70115.5
972S29.2Very low27.7Very low82 Ų82128.2 Ų128.257%0.57371%0.714SS**SBendtrans-103.788.7178169.30000111.4
973L28.4Very low27.5Very low149 Ų149124.1 Ų124.178%0.7871%0.712SS**  trans71.877.7142.2-64.3145.2000115.7
974G22.4Very low27.1Very low85 Ų85122.8 Ų122.888%0.87671%0.71SS**  -60.1129.8102.900000116.3
975G23.7Very low26.8Very low63 Ų63122.3 Ų122.365%0.64972%0.719SS**  trans156.4144.8157.800000111.9
976P29.7Very low26.1Very low139 Ų139123.7 Ų123.790%0.90373%0.727SS**  cis-123.9-177.2-49.636.7-22.8000112.1
977A21.2Very low25.9Very low89 Ų89122.9 Ų122.974%0.73673%0.728SS**  trans-66.7162.7-171.400000117.4
978S21.7Very low25.6Very low103 Ų103124 Ų12472%0.7274%0.738SS**  114.4142.8126.479.70000119.6
979I22.1Very low25.5Very low150 Ų150127.7 Ų127.777%0.76975%0.752SS**  trans96.694.3152.7-53.3161.8000118.4
980M20.8Very low25.1Very low163 Ų163132.8 Ų132.880%0.80376%0.763SS**  56.9121116.8-147.4162.7135.500120.3
981N26.4Very low24.7Very low148 Ų148137.8 Ų137.879%0.79177%0.773SS**  -177.2126.3117.3-87.8-19.6000112.8
982N21.9Very low24.5Very low154 Ų154139 Ų13982%0.82478%0.779SS**  trans-56.4167.6155.7-108-17.9000110.6
983P28.3Very low24.2Very low101 Ų101140.7 Ų140.766%0.65679%0.786SS**  cis-147.916827.739.6-17.5000118.5
984T23Very low24Very low114 Ų114140.2 Ų140.270%0.69979%0.789SS**  trans73.5137.2137.242.90000125.2
985T24.5Very low24Very low132 Ų132144.8 Ų144.881%0.8179%0.788SS**  trans79.2137.3158.866.30000117.5
986L23.4Very low23.9Very low138 Ų138150.4 Ų150.472%0.72379%0.794SS**  cis-169.9134.2-12.3-169.192.4000106
987K22.7Very low23.6Very low164 Ų164149.8 Ų149.871%0.71379%0.792SS**  trans49128.8145.8-73.3174.7-176.6176.50122.1
988N24.8Very low23.6Very low145 Ų145152.4 Ų152.478%0.77579%0.793SS**  trans73.196.1136.5-64.6-8.1000118.4
989Q29.1Very low23.7Very low203 Ų203154.4 Ų154.495%0.94979%0.794SS**  -155.5134.5124.3-110.3168.314.700112.4
990K22.5Very low23.7Very low194 Ų194153.6 Ų153.684%0.84379%0.791SS**  trans-63.2148.8-179.5-72.6170.3171.8177.10112
991F23.2Very low23.9Very low197 Ų197154.3 Ų154.386%0.86479%0.792SS**  trans38.4102.2150.7-80.6-92.3000117.9
992K25.6Very low23.8Very low207 Ų207156 Ų15690%0.979%0.793SS**  trans-127.1111.8141.4-97.4-175.9177.9-179.60109.7
993T23.8Very low23.8Very low117 Ų117154.2 Ų154.272%0.71879%0.793SS**  trans-46.9138.7165.330.70000111.9E995T993-E995 PolarHBondContact O-N 3.41Å
994T23Very low23.7Very low139 Ų139154.9 Ų154.985%0.85380%0.799SS**  trans-57.291.7170.48.80000111K996T994-K996 VanDerWaalsContact C-N 3.34Å; T994-K996 PolarHBondContact O-N 3.27Å
995E22.8Very low23.8Very low180 Ų180152.6 Ų152.684%0.84180%0.798SS**  trans-74.892.3163.6-83.4-176165.800108.9T993 C997T993-E995 PolarHBondContact O-N 3.41Å; E995-C997 PolarHBondContact O-N 3.35Å; E995-C997 VanDerWaalsContact O-N 3.12Å
996K21.6Very low23.9Very low182 Ų182153.1 Ų153.179%0.79180%0.801SS**  trans-55.9112.4155.5-73.8177.1176.7175.60106.8T994 L998T994-K996 VanDerWaalsContact C-N 3.34Å; T994-K996 PolarHBondContact O-N 3.27Å; K996-L998 PolarHBondContact O-N 3.45Å
997C22.3Very low23.9Very low126 Ų126151.9 Ų151.985%0.85180%0.804SS**  trans-59.890.9166.3-78.80000108.9E995 I999E995-C997 PolarHBondContact O-N 3.35Å; E995-C997 VanDerWaalsContact O-N 3.12Å; C997-I999 PolarHBondContact O-N 3.28Å
998L22.4Very low23.9Very low143 Ų143151.7 Ų151.775%0.74981%0.81SS**  trans-80.898.8164.3-95150.3000106.8K996 N1000K996-L998 PolarHBondContact O-N 3.45Å; L998-N1000 VanDerWaalsContact C-N 3.35Å; L998-N1000 PolarHBondContact O-N 3.32Å
999I23.1Very low23.8Very low145 Ų145151.6 Ų151.674%0.74481%0.808SS**  trans-59.898.9164.7-61.8168.2000107.1C997C997-I999 PolarHBondContact O-N 3.28Å
1000N21.9Very low23.5Very low134 Ų134148.9 Ų148.972%0.71780%0.798SS**  trans-101.1125.8163.2-86.9-14.4000108.7L998L998-N1000 VanDerWaalsContact C-N 3.35Å; L998-N1000 PolarHBondContact O-N 3.32Å
1001E25.4Very low23.5Very low177 Ų177147 Ų14783%0.82779%0.793SS**  trans72.487.5156.4-59.8-172.2158.500118.1S1003E1001-S1003 PolarHBondContact O-N 3.05Å
1002F24.2Very low23.4Very low183 Ų183142.8 Ų142.880%0.80379%0.786SS**  trans-51.1114.6149.3-92.6-98.7000111.6
1003S23Very low23.3Very low118 Ų118143.2 Ų143.283%0.82578%0.784SS**  trans-104.1106.7149.2-176.40000108.3E1001E1001-S1003 PolarHBondContact O-N 3.05Å
1004C26.1Very low23.3Very low115 Ų115144.6 Ų144.678%0.77779%0.786SS**  trans-84.4123166-84.70000108.4
1005G24.4Very low23.4Very low66 Ų66143.6 Ų143.668%0.6878%0.78SS**SBendtrans157.421.4154.600000120.7
1006T25.9Very low23.4Very low143 Ų143144.1 Ų144.188%0.87778%0.779SS**SBendtrans-175.8140.7142.6110000110L1008T1006-L1008 PolarHBondContact O-N 3.03Å
1007S24.3Very low23.5Very low112 Ų112140.5 Ų140.578%0.78378%0.777SS**  trans-57.8119.9-17554.60000113
1008L21.9Very low24.2Very low159 Ų159139.5 Ų139.583%0.83277%0.769SS**  trans-100.7110.7152.3-105.5145.9000106.7T1006 I1010T1006-L1008 PolarHBondContact O-N 3.03Å; L1008-I1010 PolarHBondContact O-N 2.91Å; L1008-I1010 VanDerWaalsContact O-N 3.08Å
1009I24Very low24.2Very low144 Ų144138.7 Ų138.774%0.73877%0.77SS**  trans-62108162-67.9172.8000105.6Q1011I1009-Q1011 HydrophobicContact CG2-CG 4.37Å; I1009-Q1011 PolarHBondContact O-N 3.24Å; I1009-Q1011 VanDerWaalsContact O-N 3.12Å
1010I22.2Very low24.2Very low146 Ų146140.2 Ų140.275%0.74977%0.772SS**  trans-75.492.8171.7-58.1171.4000105.9L1008L1008-I1010 PolarHBondContact O-N 2.91Å; L1008-I1010 VanDerWaalsContact O-N 3.08Å
1011Q21.5Very low24.2Very low155 Ų155142 Ų14272%0.72478%0.775SS**  trans-107.2105.7155.8-90-173.4-23.300108.4I1009 Y1013I1009-Q1011 HydrophobicContact CG2-CG 4.37Å; I1009-Q1011 PolarHBondContact O-N 3.24Å; I1009-Q1011 VanDerWaalsContact O-N 3.12Å; Q1011-Y1013 PolarHBondContact O-N 2.86Å
1012C22.7Very low24Very low108 Ų108138.5 Ų138.573%0.7377%0.766SS**  trans-52.5121.7172.1-56.60000109.8
1013Y22.8Very low23.9Very low216 Ų216137.9 Ų137.985%0.84777%0.766SS**  trans-110.9115.9155.8-86.5-79.8000110.7Q1011Q1011-Y1013 PolarHBondContact O-N 2.86Å
1014N23.3Very low23.8Very low145 Ų145141.4 Ų141.478%0.77577%0.766SS**  trans-77.5146.6167-115.9-17.8000108.8
1015V25.7Very low23.8Very low118 Ų118143.3 Ų143.372%0.71577%0.769SS**  trans84.9118.7145.5-178.40000119.6
1016K23Very low23.7Very low191 Ų191147.8 Ų147.883%0.8378%0.776SS**  trans44.3132.2143.6-62.3176.4179.2-179.20122
1017S24.2Very low23.6Very low106 Ų106147.5 Ų147.574%0.74177%0.768SS**  trans-7.9169.1149.560.50000121.6
1018P36Very low23.5Very low106 Ų106147.9 Ų147.969%0.68877%0.766SS**  cis-133.4-176.2-35.835.6-15.8000114.1
1019T21.8Very low23.5Very low126 Ų126145.9 Ų145.977%0.77377%0.765SS**  trans95.6129.4155.562.30000123.7
1020K23Very low23.5Very low177 Ų177146.6 Ų146.677%0.7777%0.765SS**  trans73.3112.4148.3-74.6179.9178.6-178.30119.8
1021Q22Very low23.4Very low170 Ų170149.1 Ų149.179%0.79478%0.776SS**  75.1142.3103-75.3-170.8-38.400112.7
1022V22.1Very low23.4Very low105 Ų105151.5 Ų151.564%0.63678%0.779SS**  cis-173165.92.1135.60000106.3
1023Q23Very low23.4Very low169 Ų169152.5 Ų152.579%0.7978%0.783SS**  trans82111.2163.3-85.7159.6-12.300117.8
1024K20.3Very low23.2Very low192 Ų192151.2 Ų151.284%0.83578%0.782SS**  76.3107.370.7-87.7-170.1175.5-179.60113.8
1025N24.8Very low23.2Very low156 Ų156151.2 Ų151.283%0.83479%0.787SS**  trans171.8106.4130.6-83.6-13.9000107.3
1026L22.7Very low23Very low159 Ų159150.6 Ų150.683%0.83278%0.783SS**  79.1135.484-149.686.1000113.9
1027I23.8Very low22.9Very low138 Ų138145.8 Ų145.871%0.70877%0.774SS**  trans102.885.7161.9-49-175.8000116.9
1028T21.7Very low22.7Very low120 Ų120149.6 Ų149.674%0.73678%0.777SS**  trans39.7122.1130.260.70000121.4
1029S21.9Very low22Very low117 Ų117150 Ų15082%0.81878%0.778SS**  142.572.812164.90000112.4
1030Q24.2Very low22Very low159 Ų159152.2 Ų152.274%0.74378%0.78SS**  trans-140.1114.9153.6-83.3-164.6-10.500110.3R1032Q1030-R1032 PolarHBondContact O-N 2.82Å
1031M20Very low21.9Very low199 Ų199152.8 Ų152.898%0.9878%0.782SS**  trans-54.2113.1150.4-72.2173166.500108.2
1032R22.8Very low21.9Very low205 Ų205150.2 Ų150.277%0.77478%0.78SS**  trans-128.3143.7155.4-81.1-165.1-172.6-168.22.5108.4Q1030 K1034Q1030-R1032 PolarHBondContact O-N 2.82Å; R1032-K1034 PolarHBondContact O-N 3.14Å
1033P21.4Very low21.9Very low128 Ų128152.6 Ų152.683%0.83179%0.789SS**  trans-67130.1176.529.9-32.4000108.9
1034K20.3Very low21.9Very low189 Ų189150.9 Ų150.982%0.82279%0.79SS**  trans-101.9108.5166.4-119-179-178.7-179.20107.5R1032 V1036R1032-K1034 PolarHBondContact O-N 3.14Å; K1034-V1036 HydrophobicContact CB-CG2 4.29Å; K1034-V1036 PolarHBondContact O-N 2.7Å; K1034-V1036 VanDerWaalsContact O-N 3.16Å
1035V22.2Very low22.2Very low145 Ų145151.1 Ų151.188%0.87979%0.794SS**  trans-55.3110.8155175.90000106.1
1036V21.2Very low22.2Very low105 Ų105152.5 Ų152.564%0.63680%0.796SS**  trans-113.6112.6166.3-1790000106.6K1034K1034-V1036 HydrophobicContact CB-CG2 4.29Å; K1034-V1036 PolarHBondContact O-N 2.7Å; K1034-V1036 VanDerWaalsContact O-N 3.16Å
1037S21.5Very low22.1Very low90 Ų90152.3 Ų152.363%0.62980%0.796SS**  trans-54.3127.6162.748.20000110.5V1039S1037-V1039 PolarHBondContact O-N 3.25Å
1038F19.8Very low22.2Very low186 Ų186152.6 Ų152.682%0.81680%0.799SS**  trans-78.4105.3159.5-90.4-89.4000109E1040F1038-E1040 HydrophobicContact CD1-CG 4.31Å
1039V21.9Very low22.2Very low116 Ų116153 Ų15370%0.70380%0.796SS**  trans-92.4105.7152.3171.60000104.5S1037S1037-V1039 PolarHBondContact O-N 3.25Å
1040E21.6Very low22.4Very low172 Ų172155.2 Ų155.280%0.80479%0.794SS**  trans-87.4109.2169.2-87.1177.8160.900109F1038F1038-E1040 HydrophobicContact CD1-CG 4.31Å
1041K20.4Very low22.3Very low189 Ų189156.9 Ų156.982%0.82279%0.793SS**  trans-93.2128.5158.9-87.8-177.2173.8-178.60107.8
1042P22.7Very low22.5Very low115 Ų115153 Ų15375%0.74778%0.775SS**  trans-88.3143.2169.433.8-29.1000110.6
1043N21.2Very low22.5Very low155 Ų155148.4 Ų148.483%0.82977%0.77SS**  trans-165.7140.6151.6-101.6-6.1000109.6
1044T22.9Very low22.6Very low134 Ų134148.3 Ų148.382%0.82277%0.772SS**  trans72.9100.4163.561.20000119.5
1045E26.5Very low22.8Very low196 Ų196146.2 Ų146.292%0.91677%0.765SS**  trans-160.8101.8135.5-99.7169.2-164.200104
1046E24.6Very low22.8Very low186 Ų186149 Ų14987%0.86976%0.76SS**  46.2103.784-95.5-177.3-178.900115.3
1047N21.8Very low22.8Very low155 Ų155149.5 Ų149.583%0.82976%0.763SS**  trans3112.7155.7-64.4-18.3000118.6
1048D24.9Very low22.8Very low144 Ų144152.8 Ų152.877%0.7777%0.771SS**  -156.1122.9119.9-100.2-29.3000110.1
1049N23.3Very low22.9Very low128 Ų128149.7 Ų149.768%0.68476%0.763SS**  trans40.2100.6146.6-50.9-37.3000118.3
1050E24.5Very low22.8Very low164 Ų164151.3 Ų151.377%0.76677%0.767SS**  98.1118.896.7-81.3-154.9143.900110.8
1051W22.9Very low22.8Very low194 Ų194148.6 Ų148.674%0.73576%0.762SS**  cis-151.9133.923.3-97.718.2000112.9
1052I24Very low22.9Very low117 Ų117145.4 Ų145.460%0.676%0.758SS**  71.584.7129.5-54.3179.6000117.8
1053T22.5Very low23Very low109 Ų109144.6 Ų144.667%0.66976%0.755SS**  63.99185.864.30000116.7
1054S23.8Very low23Very low125 Ų125144.1 Ų144.187%0.87475%0.753SS**  trans-9198.3146.561.90000109.1R1056S1054-R1056 PolarHBondContact O-N 3.31Å
1055H23.9Very low23.1Very low145 Ų145144.6 Ų144.667%0.67175%0.75SS**  trans-56.5124.2167.7-91.2-32.3000110.7
1056R22.2Very low22.9Very low203 Ų203140.3 Ų140.377%0.76674%0.742SS**  97.212077.5-113.2-174.6-171176.91.4112.2S1054S1054-R1056 PolarHBondContact O-N 3.31Å
1057T22.2Very low22.8Very low116 Ų116142.5 Ų142.571%0.71274%0.742SS**  trans54.6112140.745.20000119
1058M20.3Very low22.8Very low160 Ų160141.2 Ų141.279%0.78874%0.74SS**  90120.676.2-165.6169.5-170.600112.1
1059N22.2Very low22.8Very low121 Ų121142 Ų14265%0.64774%0.744SS**  trans74.5113159.9-66.5-13.1000120.2
1060L20.6Very low22.7Very low150 Ų150139 Ų13979%0.78574%0.743SS**  44.9118119.4-75.2154.2000118.5
1061V22Very low22.6Very low115 Ų115138.3 Ų138.370%0.69774%0.744SS**  trans82.2102.2135.6-178.40000117.3
1062T22.3Very low22.7Very low121 Ų121135.9 Ų135.974%0.74275%0.746SS**  trans51.7141.9137.265.90000123.2
1063S23.6Very low22.7Very low98 Ų98135.3 Ų135.369%0.68575%0.748SS**  trans78.6112.7147.268.10000120.3
1064D21.8Very low22.8Very low146 Ų146136.7 Ų136.778%0.78175%0.751SS**  64.4132.5125.9-63.3-17.2000122.6
1065N24.7Very low22.8Very low143 Ų143135.7 Ų135.777%0.76574%0.744SS**  trans88.1107.8144.3-69.3-21.7000121.8
1066S22.9Very low22.9Very low107 Ų107137.3 Ų137.375%0.74875%0.749SS**  85.9145.5118.3750000121.7
1067R23.4Very low22.9Very low232 Ų232134.1 Ų134.188%0.87575%0.747SS**  trans83.1111171.2-74.5178.9161.7148.8-4.9116.3
1068V21Very low23.1Very low127 Ų127135.1 Ų135.177%0.7775%0.748SS**  67.1105.260.6-176.30000112.4
1069D25.7Very low23.3Very low161 Ų161135.1 Ų135.186%0.86175%0.746SS**  trans177135140.2-81.8-26.3000105.4
1070G21Very low23.6Very low64 Ų64139.2 Ų139.266%0.6676%0.758SS**  cis117.3110.722.700000109.3
1071N22.4Very low23.8Very low150 Ų150137.3 Ų137.380%0.80275%0.753SS**  trans94.1134149.4-65.8-14.7000123.3
1072N23.9Very low24.1Very low143 Ų143139.7 Ų139.777%0.76576%0.761SS**  trans85.9140.9140.4-68.1-5.2000119.1
1073V25.1Very low24.3Very low106 Ų106139.6 Ų139.664%0.64276%0.761SS**  cis-172.1144.2-1.2127.60000107.6
1074D23.6Very low24.3Very low137 Ų137142 Ų14273%0.73377%0.766SS**  trans31.7130.1148.4-48.2-32.8000122.9
1075S25.1Very low24.7Very low104 Ų104142 Ų14273%0.72777%0.766SS**  154.5130.985.149.40000114.9
1076K24.3Very low24.9Very low180 Ų180142.7 Ų142.778%0.78376%0.764SS**  trans71.2118.5137.1-72.3178.8175.7178.20122.4
1077N23.6Very low25.2Very low135 Ų135143.8 Ų143.872%0.72277%0.766SS**  57.1130.2126.5-63.311.6000117.8
1078D26.4Very low25.4Very low138 Ų138139.6 Ų139.674%0.73876%0.761SS**  cis-159.6159.349.6-100.3-43000113.3
1079H24.3Very low25.7Very low160 Ų160144 Ų14474%0.74177%0.765SS**  trans-38.8129.9178-62.5-84.3000118.5
1080K28.4Very low25.7Very low207 Ų207145 Ų14590%0.976%0.762SS**  trans-150105.8132.2-109.3175.7-174.7-179.10109.9
1081V24.5Very low26.1Very low110 Ų110149.3 Ų149.367%0.66777%0.77SS**  trans-89.6109.3174171.50000106.3T1083V1081-T1083 HydrophobicContact CG1-CG2 3.77Å
1082D27.6Very low26.3Very low164 Ų164153.8 Ų153.888%0.87778%0.776SS**  trans-103.1104.4156.7-91.5-33.5000107.3N1084D1082-N1084 PolarHBondContact O-N 3.41Å
1083T28.2Very low26.4Very low119 Ų119155.1 Ų155.173%0.7378%0.781SS**  trans-70.4121.2177.535.20000111.3V1081V1081-T1083 HydrophobicContact CG1-CG2 3.77Å
1084N23.3Very low26.8Very low148 Ų148161.2 Ų161.279%0.79181%0.809SS**  trans-42.3131.7150.4-72.4-42.3000112.4D1082D1082-N1084 PolarHBondContact O-N 3.41Å
1085N29.9Very low27Very low147 Ų147162.5 Ų162.579%0.78681%0.813SS**  trans-16196.1144.8-95.4-23.5000107.7
1086H28.1Very low27.1Very low157 Ų157165.5 Ų165.573%0.72782%0.817SS**  64.493.896.8-86.8-47000115
1087V30.5Very low27.2Very low130 Ų130164.7 Ų164.779%0.78882%0.819SS**  trans-14195.5138.1-179.30000107.9Y1089V1087-Y1089 HydrophobicContact CG1-CD2 3.58Å; V1087-Y1089 HydrophobicContact CG1-CE2 4.11Å
1088N26.5Very low27.5Very low144 Ų144166.5 Ų166.577%0.7783%0.825SS**  trans-102.381.8-178.5-1462.4000108.2
1089Y26.7Very low27.5Very low220 Ų220168.3 Ų168.386%0.86383%0.83SS**  trans-96.878.7171.3-95.3-88.6000109.2V1087V1087-Y1089 HydrophobicContact CG1-CD2 3.58Å; V1087-Y1089 HydrophobicContact CG1-CE2 4.11Å
1090K25.8Very low27.7Very low182 Ų182168.8 Ų168.879%0.79184%0.836SS**  trans-153.129.1173.6-130.6178.7-173.4178.70117.8
1091N29.3Very low27.7Very low155 Ų155166.1 Ų166.183%0.82983%0.832SS**  trans-143.580.3167.6-84.1-25.5000111.4
1092R26.4Very low27.9Very low243 Ų243170.4 Ų170.492%0.91784%0.844SS**SBendtrans-151.9121.8147-101.6-179.2-177.4-176.60.2106.4
1093I27Very low28Very low171 Ų171170.9 Ų170.988%0.87784%0.842SS**  trans90.658-175.7-41169.5000114.6
1094L33.9Very low27.9Very low235 Ų235175.6 Ų175.6100%1.2385%0.852SS**  trans-170.80133.9-98.8159.3000106.6

Retrieved 1,094 of 1,094 residues in 447.3 ms (Link to these results)

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