A0A5K4F1Q1_SCHMA Loading...

F5/8 type C domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F1Q1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 989 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
1M47.9Very low64.3Low195 Ų195127.3 Ų127.396%0.96163%0.626SS**  0-56.60-70.8-58.7-90.700111.5L3 I4 C5M1-L3 VanDerWaalsContact C-N 3.32Å; M1-L3 PolarHBondContact O-N 3.41Å; M1-I4 WeakPolarHBondContact O-CB 3.36Å; M1-I4 PolarHBondContact O-N 3.2Å; M1-C5 PolarHBondContact O-N 3.03Å
2E50.8Low65.1Low171 Ų171124.5 Ų124.580%0.79961%0.608SS**Hα-helixtrans-49.2-45-175.7-62.5166.5141.500114.4I4 C5 H6E2-I4 PolarHBondContact O-N 2.67Å; E2-C5 WeakPolarHBondContact O-CA 3.4Å; E2-C5 WeakPolarHBondContact O-CB 3.38Å; E2-C5 PolarHBondContact O-N 2.82Å; E2-H6 PolarHBondContact O-N 2.65Å
3L45.1Very low66.2Low145 Ų145121.8 Ų121.876%0.75960%0.598SS**Hα-helixtrans-60.2-27.1178.6-155.278.7000114.2M1 K7M1-L3 VanDerWaalsContact C-N 3.32Å; M1-L3 PolarHBondContact O-N 3.41Å; L3-K7 PolarHBondContact O-N 3.4Å
4I68.1Low67.1Low108 Ų108121.3 Ų121.355%0.55460%0.597SS**Hα-helixtrans-77.4-47.1174.3-57.5174.9000109M1 E2 H6 K7 Q8M1-I4 WeakPolarHBondContact O-CB 3.36Å; M1-I4 PolarHBondContact O-N 3.2Å; E2-I4 PolarHBondContact O-N 2.67Å; I4-H6 VanDerWaalsContact C-N 3.32Å; I4-H6 PolarHBondContact O-N 3.08Å; I4-K7 PolarHBondContact O-N 3.41Å; I4-Q8 WeakPolarHBondContact O-CB 3.48Å; I4-Q8 PolarHBondContact O-N 3.28Å
5C61.3Low67.6Low84 Ų84120.3 Ų120.357%0.56859%0.594SS**Hα-helixtrans-56.2-45.8176.9-163.60000111.4M1 E2 K7 Q8 Y9M1-C5 PolarHBondContact O-N 3.03Å; E2-C5 WeakPolarHBondContact O-CA 3.4Å; E2-C5 WeakPolarHBondContact O-CB 3.38Å; E2-C5 PolarHBondContact O-N 2.82Å; C5-K7 PolarHBondContact O-N 3.35Å; C5-Q8 PolarHBondContact O-N 3.43Å; C5-Y9 WeakPolarHBondContact O-CB 3.49Å; C5-Y9 PolarHBondContact O-N 3.33Å
6H70.1Confident67.9Low131 Ų131118.6 Ų118.661%0.60658%0.583SS**Hα-helixtrans-64.8-39.7179.9-158.9-41.7000112.7E2 I4 C10E2-H6 PolarHBondContact O-N 2.65Å; I4-H6 VanDerWaalsContact C-N 3.32Å; I4-H6 PolarHBondContact O-N 3.08Å; H6-C10 WeakPolarHBondContact O-CB 3.15Å; H6-C10 PolarHBondContact O-N 3.25Å; H6-C10 PolarHBondContact O-SG 3.46Å
7K68.6Low68.3Low158 Ų158117.5 Ų117.569%0.68758%0.578SS**Hα-helixtrans-64.9-40.1172.4-85.5-168.8170.8-172.30112.2L3 I4 C5 C10 M11L3-K7 PolarHBondContact O-N 3.4Å; I4-K7 PolarHBondContact O-N 3.41Å; C5-K7 PolarHBondContact O-N 3.35Å; K7-C10 PolarHBondContact O-N 3.22Å; K7-M11 WeakPolarHBondContact O-CG 3.2Å; K7-M11 PolarHBondContact O-N 3.15Å
8Q70.1Confident68.4Low118 Ų118112.5 Ų112.555%0.55156%0.562SS**Hα-helixtrans-72.3-35.6-177.7-155.71587.100111.5I4 C5 M11 F12I4-Q8 WeakPolarHBondContact O-CB 3.48Å; I4-Q8 PolarHBondContact O-N 3.28Å; C5-Q8 PolarHBondContact O-N 3.43Å; Q8-M11 PolarHBondContact O-N 3.13Å; Q8-F12 PolarHBondContact O-N 2.9Å
9Y73.8Confident68.2Low124 Ų124114.8 Ų114.849%0.48657%0.568SS.*Hα-helixtrans-67.7-41.7171.6-154-88.8000111.8C5 M11 F12 L13C5-Y9 WeakPolarHBondContact O-CB 3.49Å; C5-Y9 PolarHBondContact O-N 3.33Å; Y9-M11 PolarHBondContact O-N 3.06Å; Y9-F12 PolarHBondContact O-N 3.23Å; Y9-L13 WeakPolarHBondContact O-CB 3.45Å; Y9-L13 PolarHBondContact O-N 3.42Å
10C74.8Confident67.8Low52 Ų52113.6 Ų113.635%0.35156%0.564SS.*Hα-helixtrans-61.7-41.7172.1-71.60000112.4H6 K7 L13 I14H6-C10 WeakPolarHBondContact O-CB 3.15Å; H6-C10 PolarHBondContact O-N 3.25Å; H6-C10 PolarHBondContact O-SG 3.46Å; K7-C10 PolarHBondContact O-N 3.22Å; C10-L13 PolarHBondContact O-N 2.97Å; C10-I14 WeakPolarHBondContact O-CB 3.47Å; C10-I14 WeakPolarHBondContact O-CD1 3.38Å; C10-I14 VanDerWaalsContact O-CG1 3.25Å; C10-I14 WeakPolarHBondContact O-CG1 3.43Å; C10-I14 PolarHBondContact O-N 2.95Å
11M76.5Confident67.1Low114 Ų114112.4 Ų112.456%0.56257%0.566SS**Hα-helixtrans-61.3-44.7174.1-80.6-66.9-61.700112.2K7 Q8 Y9 I14 L15K7-M11 WeakPolarHBondContact O-CG 3.2Å; K7-M11 PolarHBondContact O-N 3.15Å; Q8-M11 PolarHBondContact O-N 3.13Å; Y9-M11 PolarHBondContact O-N 3.06Å; M11-I14 PolarHBondContact O-N 2.85Å; M11-L15 WeakPolarHBondContact O-CB 3.38Å; M11-L15 WeakPolarHBondContact O-CG 3.5Å; M11-L15 PolarHBondContact O-N 2.88Å
12F74.7Confident67Low94 Ų94108.8 Ų108.841%0.41255%0.55SS.*Hα-helixtrans-65-38.9175.2-97.1-76.8000112.5Q8 Y9 L15 F16 F544Q8-F12 PolarHBondContact O-N 2.9Å; Y9-F12 PolarHBondContact O-N 3.23Å; F12-L15 PolarHBondContact O-N 2.84Å; F12-F16 VanDerWaalsContact O-CB 3.24Å; F12-F16 WeakPolarHBondContact O-CB 3.39Å; F12-F16 PolarHBondContact O-N 3.04Å; F12-F544 AromaticContact CD1-CE2 3.97Å; F12-F544 HydrophobicContact CD1-CE2 3.97Å; F12-F544 HydrophobicContact CD2-CE2 4.19Å; F12-F544 AromaticContact CE1-CE2 3.85Å; F12-F544 HydrophobicContact CE1-CE2 3.85Å; F12-F544 HydrophobicContact CE2-CE2 4.07Å; F12-F544 HydrophobicContact CE2-CZ 4.33Å; F12-F544 HydrophobicContact CG-CE2 4.14Å; F12-F544 AromaticContact CZ-CE2 3.9Å; F12-F544 HydrophobicContact CZ-CE2 3.9Å; F12-F544 HydrophobicContact CZ-CZ 4.49Å
13L78.4Confident66.7Low90 Ų90105.3 Ų105.347%0.47154%0.541SS..Hα-helixtrans-64.7-44176.3-168.875.3000111.5Y9 C10 F16 I17Y9-L13 WeakPolarHBondContact O-CB 3.45Å; Y9-L13 PolarHBondContact O-N 3.42Å; C10-L13 PolarHBondContact O-N 2.97Å; L13-F16 PolarHBondContact O-N 3.25Å; L13-I17 HydrophobicContact CD2-CD1 4.37Å; L13-I17 HydrophobicContact CG-CD1 3.92Å; L13-I17 WeakPolarHBondContact O-CB 3.22Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.41Å; L13-I17 PolarHBondContact O-N 3.3Å
14I78.9Confident66.6Low114 Ų114103.3 Ų103.359%0.58553%0.534SS*.Hα-helixtrans-63.9-43.3176.6-69.6161.9000110.7C10 M11 G18C10-I14 WeakPolarHBondContact O-CB 3.47Å; C10-I14 WeakPolarHBondContact O-CD1 3.38Å; C10-I14 VanDerWaalsContact O-CG1 3.25Å; C10-I14 WeakPolarHBondContact O-CG1 3.43Å; C10-I14 PolarHBondContact O-N 2.95Å; M11-I14 PolarHBondContact O-N 2.85Å; I14-G18 PolarHBondContact O-N 3.32Å
15L74.9Confident65.2Low107 Ų107103 Ų10356%0.5654%0.542SS*.Hα-helixtrans-64-39.5175-75.1167.4000112.3M11 F12 G18 F19M11-L15 WeakPolarHBondContact O-CB 3.38Å; M11-L15 WeakPolarHBondContact O-CG 3.5Å; M11-L15 PolarHBondContact O-N 2.88Å; F12-L15 PolarHBondContact O-N 2.84Å; L15-G18 PolarHBondContact O-N 2.96Å; L15-F19 WeakPolarHBondContact O-CB 3.32Å; L15-F19 PolarHBondContact O-N 3.26Å
16F72.7Confident64.8Low93 Ų93104.9 Ų104.941%0.40855%0.545SS..Hα-helixtrans-72-38179.2-164.3-103000112.2F12 L13 F19 L20 I540F12-F16 VanDerWaalsContact O-CB 3.24Å; F12-F16 WeakPolarHBondContact O-CB 3.39Å; F12-F16 PolarHBondContact O-N 3.04Å; L13-F16 PolarHBondContact O-N 3.25Å; F16-F19 PolarHBondContact O-N 3.17Å; F16-L20 HydrophobicContact CD1-CD1 3.74Å; F16-L20 HydrophobicContact CD1-CG 4.39Å; F16-L20 HydrophobicContact CE1-CD1 3.61Å; F16-L20 HydrophobicContact CE1-CG 4.28Å; F16-L20 HydrophobicContact CZ-CD1 4.44Å; F16-L20 WeakPolarHBondContact O-CB 3.3Å; F16-L20 VanDerWaalsContact O-CG 3.31Å; F16-L20 WeakPolarHBondContact O-CG 3.24Å; F16-L20 PolarHBondContact O-N 2.78Å; F16-I540 HydrophobicContact CD1-CD1 4.49Å; F16-I540 HydrophobicContact CE1-CD1 3.63Å; F16-I540 HydrophobicContact CE1-CG1 4.02Å; F16-I540 HydrophobicContact CZ-CD1 4.09Å; F16-I540 HydrophobicContact CZ-CG1 3.94Å
17I74.7Confident64.4Low99 Ų99100.8 Ų100.851%0.50854%0.538SS..Hα-helixtrans-63.9-42.6170.6-70.3167.1000110.4L13 L20 C21L13-I17 HydrophobicContact CD2-CD1 4.37Å; L13-I17 HydrophobicContact CG-CD1 3.92Å; L13-I17 WeakPolarHBondContact O-CB 3.22Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.41Å; L13-I17 PolarHBondContact O-N 3.3Å; I17-L20 PolarHBondContact O-N 3.06Å; I17-C21 VanDerWaalsContact O-CB 3.29Å; I17-C21 WeakPolarHBondContact O-CB 3.32Å; I17-C21 PolarHBondContact O-N 2.92Å
18G70.2Confident65Low28 Ų2894.1 Ų94.129%0.28951%0.511SS..Hα-helixtrans-58-53.6173.800000111.9I14 L15 L20 C21 D22I14-G18 PolarHBondContact O-N 3.32Å; L15-G18 PolarHBondContact O-N 2.96Å; G18-L20 VanDerWaalsContact C-N 3.29Å; G18-L20 PolarHBondContact O-N 3.01Å; G18-C21 WeakPolarHBondContact O-CA 3.11Å; G18-C21 WeakPolarHBondContact O-CB 3.26Å; G18-C21 PolarHBondContact O-N 3.15Å; G18-D22 PolarHBondContact O-N 2.82Å
19F64.4Low65.8Low156 Ų15693.5 Ų93.568%0.68451%0.511SS*.Hα-helixtrans-60.6-36.6179.9-141.6-89000112.8L15 F16 T23L15-F19 WeakPolarHBondContact O-CB 3.32Å; L15-F19 PolarHBondContact O-N 3.26Å; F16-F19 PolarHBondContact O-N 3.17Å; F19-T23 WeakPolarHBondContact O-CG2 3.46Å; F19-T23 PolarHBondContact O-N 3.29Å; F19-T23 PolarHBondContact O-OG1 3.09Å
20L59.3Low66.5Low91 Ų9190 Ų9048%0.47651%0.505SS..Hα-helixtrans-68.8-40.5172.3-75.3172.5000112.1F16 I17 G18 T23 V24F16-L20 HydrophobicContact CD1-CD1 3.74Å; F16-L20 HydrophobicContact CD1-CG 4.39Å; F16-L20 HydrophobicContact CE1-CD1 3.61Å; F16-L20 HydrophobicContact CE1-CG 4.28Å; F16-L20 HydrophobicContact CZ-CD1 4.44Å; F16-L20 WeakPolarHBondContact O-CB 3.3Å; F16-L20 VanDerWaalsContact O-CG 3.31Å; F16-L20 WeakPolarHBondContact O-CG 3.24Å; F16-L20 PolarHBondContact O-N 2.78Å; I17-L20 PolarHBondContact O-N 3.06Å; G18-L20 VanDerWaalsContact C-N 3.29Å; G18-L20 PolarHBondContact O-N 3.01Å; L20-T23 WeakPolarHBondContact CA-OG1 3.23Å; L20-T23 PolarHBondContact O-N 3.46Å; L20-T23 PolarHBondContact O-OG1 2.69Å; L20-V24 PolarHBondContact O-N 3.32Å
21C54.8Low67.3Low89 Ų8992.4 Ų92.460%0.60151%0.507SS*.Hα-helixtrans-63.9-42.6177.4-1590000111.3I17 G18 T23 V24I17-C21 VanDerWaalsContact O-CB 3.29Å; I17-C21 WeakPolarHBondContact O-CB 3.32Å; I17-C21 PolarHBondContact O-N 2.92Å; G18-C21 WeakPolarHBondContact O-CA 3.11Å; G18-C21 WeakPolarHBondContact O-CB 3.26Å; G18-C21 PolarHBondContact O-N 3.15Å; C21-T23 VanDerWaalsContact C-N 3.27Å; C21-T23 PolarHBondContact O-N 2.77Å; C21-V24 CarbonylContact O-C 3.54Å; C21-V24 WeakPolarHBondContact O-CA 3.42Å; C21-V24 PolarHBondContact O-N 2.93Å
22D45.3Very low68.1Low119 Ų11987.4 Ų87.464%0.63648%0.482SS*.Hα-helixtrans-60.1-36.4174.5-66.7-33000111.6G18 V24 S25G18-D22 PolarHBondContact O-N 2.82Å; D22-V24 PolarHBondContact O-N 3.1Å; D22-S25 WeakPolarHBondContact O-CB 3.44Å; D22-S25 PolarHBondContact O-N 2.9Å; D22-S25 VanDerWaalsContact O-N 3.16Å
23T43.7Very low68.9Low98 Ų9882.9 Ų82.960%0.60146%0.463SS*.THydrogen-bonded Turntrans-71.9-8172.958.20000115F19 L20 C21F19-T23 WeakPolarHBondContact O-CG2 3.46Å; F19-T23 PolarHBondContact O-N 3.29Å; F19-T23 PolarHBondContact O-OG1 3.09Å; L20-T23 WeakPolarHBondContact CA-OG1 3.23Å; L20-T23 PolarHBondContact O-N 3.46Å; L20-T23 PolarHBondContact O-OG1 2.69Å; C21-T23 VanDerWaalsContact C-N 3.27Å; C21-T23 PolarHBondContact O-N 2.77Å
24V43.3Very low69.3Low102 Ų10280.9 Ų80.962%0.61846%0.459SS*.THydrogen-bonded Turntrans-106.627.1170.3-165.60000110.7L20 C21 D22 I26L20-V24 PolarHBondContact O-N 3.32Å; C21-V24 CarbonylContact O-C 3.54Å; C21-V24 WeakPolarHBondContact O-CA 3.42Å; C21-V24 PolarHBondContact O-N 2.93Å; D22-V24 PolarHBondContact O-N 3.1Å; V24-I26 HydrophobicContact CG1-CD1 4.36Å; V24-I26 HydrophobicContact CG1-CG1 4.1Å; V24-I26 PolarHBondContact O-N 3.34Å
25S38.7Very low69.6Low103 Ų10378.9 Ų78.972%0.7245%0.45SS*.  trans-6588.6153.2-166.20000108.9D22 G27D22-S25 WeakPolarHBondContact O-CB 3.44Å; D22-S25 PolarHBondContact O-N 2.9Å; D22-S25 VanDerWaalsContact O-N 3.16Å; S25-G27 VanDerWaalsContact C-N 3.33Å; S25-G27 PolarHBondContact O-N 3.34Å
26I52Low70.1Confident123 Ų12377.4 Ų77.463%0.63144%0.436SS*.  trans-66.794.3175.5-59.1171.3000107.4V24 C28V24-I26 HydrophobicContact CG1-CD1 4.36Å; V24-I26 HydrophobicContact CG1-CG1 4.1Å; V24-I26 PolarHBondContact O-N 3.34Å; I26-C28 PolarHBondContact O-N 2.96Å
27G62.6Low70.8Confident44 Ų4480.6 Ų80.645%0.45446%0.456SS..  trans-53139.3172.500000110.2S25 N29S25-G27 VanDerWaalsContact C-N 3.33Å; S25-G27 PolarHBondContact O-N 3.34Å; G27-N29 PolarHBondContact O-N 3.45Å
28C80.6Confident71.3Confident18 Ų1878.4 Ų78.412%0.12245%0.445CS..SBendtrans-72.155.4-168.8-170.90000113.8I26 K98 G185 C186I26-C28 PolarHBondContact O-N 2.96Å; C28-K98 HydrophobicContact CB-CD 4.36Å; C28-G185 CarbonylContact C-O 3.1Å; C28-G185 WeakPolarHBondContact O-CA 3.38Å; C28-G185 VanDerWaalsContact SG-C 3.6Å; C28-C186 HydrophobicContact CB-CB 3.82Å; C28-C186 WeakPolarHBondContact CB-SG 3.35Å; C28-C186 WeakPolarHBondContact SG-CB 3.45Å; C28-C186 PolarHBondContact SG-N 2.91Å; C28-C186 CovalentContact SG-SG 2.04Å; C28-C186 PolarHBondContact SG-SG 3.42Å
29N86.7Confident72.3Confident105 Ų10577.2 Ų77.256%0.56143%0.432SS*.  trans-134.121.4-172.5-64.3-37000111G27 L184 G185G27-N29 PolarHBondContact O-N 3.45Å; N29-L184 WeakPolarHBondContact O-CD2 3.19Å; N29-G185 PolarHBondContact N-O 3.18Å
30S89.8Confident73.7Confident51 Ų5172.1 Ų72.136%0.35742%0.415SS..EExtended strand (participates in β ladder)trans-71.7135.4179.2-65.90000110.5L32 L184 G185S30-L32 PolarHBondContact O-N 2.94Å; S30-L184 WeakPolarHBondContact O-CA 3.4Å; S30-G185 WeakPolarHBondContact CB-O 3.4Å; S30-G185 PolarHBondContact N-O 2.71Å; S30-G185 PolarHBondContact O-N 2.85Å
31R91.7Very high75.1Confident102 Ų10271.1 Ų71.139%0.38541%0.41SS..EExtended strand (participates in β ladder)trans-66.4110.5172.1-78.2-179.2167.8-117.36.2110.2A34 E182 L184R31-A34 HydrophobicContact CB-CB 3.77Å; R31-E182 HydrophobicContact CB-CG 4.38Å; R31-E182 WeakPolarHBondContact CB-OE2 3.45Å; R31-E182 VanDerWaalsContact CD-OE2 3.27Å; R31-E182 WeakPolarHBondContact CD-OE2 3.4Å; R31-E182 HydrophobicContact CG-CG 3.86Å; R31-E182 WeakPolarHBondContact CG-OE2 3.35Å; R31-E182 IonicContact CZ-OE2 3.55Å; R31-E182 IonicContact NE-OE2 2.77Å; R31-E182 IonicContact NH1-OE2 3.47Å; R31-E182 PolarHBondContact NH1-OE2 3.35Å; R31-L184 HydrophobicContact CG-CG 4.33Å
32L92.3Very high76.9Confident9 Ų972.8 Ų72.85%0.04742%0.418CS..SBendtrans-81.8-26.2-174.8-55.1179.8000112.4S30 V39 L91 I97 L183S30-L32 PolarHBondContact O-N 2.94Å; L32-V39 WeakPolarHBondContact O-CG2 3.4Å; L32-L91 HydrophobicContact CD1-CD1 4.38Å; L32-I97 HydrophobicContact CD1-CD1 3.55Å; L32-L183 HydrophobicContact CB-CB 4.26Å; L32-L183 HydrophobicContact CD1-CB 4.34Å; L32-L183 PolarHBondContact N-O 3.16Å
33L92.1Very high79.3Confident0 Ų067.8 Ų67.80%039%0.392CS..SBendtrans-96.5-0.9179.3-53.3-174.9000113.2V39 F44 R60 I89 L91 L181 E182 L183L33-V39 HydrophobicContact CD2-CG1 4.03Å; L33-F44 HydrophobicContact CD1-CE1 4.4Å; L33-F44 HydrophobicContact CD1-CZ 4.15Å; L33-F44 HydrophobicContact CD2-CZ 4.08Å; L33-F44 HydrophobicContact CG-CZ 4.5Å; L33-R60 VanDerWaalsContact O-CD 3.24Å; L33-R60 WeakPolarHBondContact O-CD 3.32Å; L33-R60 VanDerWaalsContact O-CG 3.27Å; L33-R60 WeakPolarHBondContact O-CG 3.11Å; L33-R60 PolarHBondContact O-NH1 2.87Å; L33-I89 HydrophobicContact CD1-CD1 3.82Å; L33-I89 HydrophobicContact CD2-CD1 4.37Å; L33-I89 HydrophobicContact CD2-CG2 4.02Å; L33-L91 HydrophobicContact CD2-CD2 3.82Å; L33-L181 HydrophobicContact CD1-CB 4.43Å; L33-L181 HydrophobicContact CD1-CD2 4.1Å; L33-L181 HydrophobicContact CD1-CG 4.32Å; L33-E182 WeakPolarHBondContact CA-OE1 3.36Å; L33-E182 WeakPolarHBondContact CB-OE1 3.45Å; L33-E182 PolarHBondContact N-OE1 3.24Å; L33-L183 HydrophobicContact CD1-CD1 4.05Å; L33-L183 HydrophobicContact CD1-CG 3.88Å; L33-L183 HydrophobicContact CD2-CD1 4.09Å; L33-L183 HydrophobicContact CG-CB 4.29Å; L33-L183 HydrophobicContact CG-CD1 4.1Å; L33-L183 HydrophobicContact CG-CG 4.06Å
34A86.6Confident81.7Confident48 Ų4863.8 Ų63.840%0.39737%0.366SS..SBendtrans-73.1-35.8172.800000112.6R31 R36R31-A34 HydrophobicContact CB-CB 3.77Å; A34-R36 PolarHBondContact O-N 3.05Å
35D84.3Confident84.1Confident72 Ų7263.9 Ų63.939%0.38536%0.36SS..  trans-80.3111.5-178-172.9-13.4000111.6I37 L38 V39D35-I37 WeakPolarHBondContact OD1-CA 3.49Å; D35-I37 WeakPolarHBondContact OD1-CB 3.41Å; D35-I37 PolarHBondContact OD1-N 3.38Å; D35-L38 HydrophobicContact CB-CB 4.02Å; D35-L38 PolarHBondContact OD1-N 3.26Å; D35-L38 WeakPolarHBondContact OD2-CB 3.48Å; D35-V39 PolarHBondContact O-N 2.85Å
36R87.1Confident86.8Confident75 Ų7563 Ų6328%0.28334%0.344SS..THydrogen-bonded Turntrans-84-8.2177.4-55.1-163.2-167-151.717.3114.4A34 P40 D41 D62 D65A34-R36 PolarHBondContact O-N 3.05Å; R36-P40 WeakPolarHBondContact O-CA 3.41Å; R36-D41 IonicContact NH1-OD1 2.74Å; R36-D41 IonicContact NH1-OD2 3.37Å; R36-D41 PolarHBondContact NH1-OD2 3.18Å; R36-D62 IonicContact CZ-OD2 2.78Å; R36-D62 IonicContact NE-OD2 3.36Å; R36-D62 IonicContact NH2-OD2 3.84Å; R36-D62 PolarHBondContact NH2-OD2 3.22Å; R36-D65 IonicContact CZ-OD2 3.16Å; R36-D65 IonicContact NH1-OD2 2.71Å; R36-D65 IonicContact NH2-OD2 3.57Å; R36-D65 PolarHBondContact NH2-OD2 2.95Å
37I85.9Confident88.9Confident160 Ų16059.4 Ų59.482%0.82133%0.33SS*.THydrogen-bonded Turntrans-84.5-47.9172.6-55.2176.9000108.7D35D35-I37 WeakPolarHBondContact OD1-CA 3.49Å; D35-I37 WeakPolarHBondContact OD1-CB 3.41Å; D35-I37 PolarHBondContact OD1-N 3.38Å
38L85.6Confident90.5Very high54 Ų5458.5 Ų58.528%0.28332%0.317SS..THydrogen-bonded Turntrans-69.2-47.1176-178.866.5000112.2D35 P40 R93D35-L38 HydrophobicContact CB-CB 4.02Å; D35-L38 PolarHBondContact OD1-N 3.26Å; D35-L38 WeakPolarHBondContact OD2-CB 3.48Å; L38-P40 WeakPolarHBondContact O-CD 3.45Å; L38-R93 HydrophobicContact CD1-CG 4.29Å
39V91.7Very high91.1Very high2 Ų258.9 Ų58.91%0.01232%0.321CS..SBendtrans-120.384.4-177.9-1730000108.5L32 L33 D35 S43 F44 R60 I89 L91L32-V39 WeakPolarHBondContact O-CG2 3.4Å; L33-V39 HydrophobicContact CD2-CG1 4.03Å; D35-V39 PolarHBondContact O-N 2.85Å; V39-S43 VanDerWaalsContact CG1-OG 3.24Å; V39-S43 WeakPolarHBondContact CG1-OG 3.47Å; V39-F44 HydrophobicContact CG1-CE2 3.95Å; V39-R60 PolarHBondContact O-NH1 2.83Å; V39-R60 PolarHBondContact O-NH2 3.46Å; V39-I89 HydrophobicContact CG1-CG2 4.25Å; V39-L91 HydrophobicContact CG2-CD2 4.37Å
40P92.6Very high91.3Very high50 Ų5055.9 Ų55.933%0.32531%0.311SS..  trans-69.8159.9-177.829.5-36.4000112R36 L38 T42 S43R36-P40 WeakPolarHBondContact O-CA 3.41Å; L38-P40 WeakPolarHBondContact O-CD 3.45Å; P40-T42 PolarHBondContact O-N 3.17Å; P40-S43 WeakPolarHBondContact O-CB 3.46Å; P40-S43 PolarHBondContact O-N 2.92Å; P40-S43 PolarHBondContact O-OG 3.07Å
41D90.6Very high91.3Very high70 Ų7056.5 Ų56.537%0.37431%0.313SS..G310 helixtrans-62.3-15.6-178.9-68.5-28.6000113.7R36 S43 R60R36-D41 IonicContact NH1-OD1 2.74Å; R36-D41 IonicContact NH1-OD2 3.37Å; R36-D41 PolarHBondContact NH1-OD2 3.18Å; D41-S43 VanDerWaalsContact C-N 3.34Å; D41-R60 IonicContact OD1-CZ 3.79Å; D41-R60 IonicContact OD1-NE 3.39Å; D41-R60 PolarHBondContact OD1-NE 2.82Å; D41-R60 IonicContact OD1-NH2 3.59Å; D41-R60 PolarHBondContact OD1-NH2 2.93Å
42T92.4Very high91Very high124 Ų12459.9 Ų59.976%0.76134%0.338SS*.G310 helixtrans-75.2-15.7172.147.40000114.5P40 F44P40-T42 PolarHBondContact O-N 3.17Å; T42-F44 PolarHBondContact O-N 2.8Å
43S94.1Very high90.7Very high14 Ų1465.5 Ų65.510%0.09836%0.364CS..G310 helixtrans-74.9-13.3176.664.10000113.9V39 P40 D41 D90V39-S43 VanDerWaalsContact CG1-OG 3.24Å; V39-S43 WeakPolarHBondContact CG1-OG 3.47Å; P40-S43 WeakPolarHBondContact O-CB 3.46Å; P40-S43 PolarHBondContact O-N 2.92Å; P40-S43 PolarHBondContact O-OG 3.07Å; D41-S43 VanDerWaalsContact C-N 3.34Å; S43-D90 WeakPolarHBondContact CB-O 3.22Å; S43-D90 PolarHBondContact O-N 3.26Å; S43-D90 VanDerWaalsContact O-N 3.14Å
44F94.5Very high90.6Very high13 Ų1366.6 Ų66.66%0.05737%0.369CS..EExtended strand (participates in β ladder)trans-93.5113.4-175.5-77.8-103000111.4L33 V39 T42 A56 M87 I89L33-F44 HydrophobicContact CD1-CE1 4.4Å; L33-F44 HydrophobicContact CD1-CZ 4.15Å; L33-F44 HydrophobicContact CD2-CZ 4.08Å; L33-F44 HydrophobicContact CG-CZ 4.5Å; V39-F44 HydrophobicContact CG1-CE2 3.95Å; T42-F44 PolarHBondContact O-N 2.8Å; F44-A56 HydrophobicContact CB-CB 3.72Å; F44-A56 HydrophobicContact CD1-CB 4.41Å; F44-A56 WeakPolarHBondContact CD1-O 3.31Å; F44-M87 HydrophobicContact CD1-SD 4.37Å; F44-I89 HydrophobicContact CD1-CD1 4.04Å; F44-I89 HydrophobicContact CD1-CG1 3.85Å; F44-I89 HydrophobicContact CE1-CD1 3.56Å; F44-I89 HydrophobicContact CE1-CG1 3.88Å; F44-I89 HydrophobicContact CE1-CG2 4.44Å; F44-I89 HydrophobicContact CE2-CG2 4.36Å; F44-I89 HydrophobicContact CG-CG1 4.49Å; F44-I89 HydrophobicContact CZ-CD1 4.17Å; F44-I89 HydrophobicContact CZ-CG2 4.3Å
45Q95.2Very high90.9Very high105 Ų10564.6 Ų64.649%0.49135%0.353SS..EExtended strand (participates in β ladder)trans-117.6163.6179.7-67.1176.382.100111.1A56 M87 E88Q45-A56 VanDerWaalsContact O-CB 3.25Å; Q45-A56 WeakPolarHBondContact O-CB 3.4Å; Q45-M87 CarbonylContact O-C 3.58Å; Q45-M87 WeakPolarHBondContact O-CA 3.37Å; Q45-E88 HydrophobicContact CB-CB 4.22Å; Q45-E88 PolarHBondContact N-O 2.96Å; Q45-E88 PolarHBondContact O-N 2.67Å
46H95.2Very high91.3Very high83 Ų8361.2 Ų61.238%0.38434%0.335SS..EExtended strand (participates in β ladder)trans-156.1158.2-176.745.8-75.3000112.5S48 A56 F86H46-S48 PolarHBondContact CD2-O 3.33Å; H46-A56 HydrophobicContact CB-CB 4.01Å; H46-A56 WeakPolarHBondContact ND1-CB 3.32Å; H46-A56 PolarHBondContact ND1-N 3.21Å; H46-F86 WeakPolarHBondContact CA-O 3.43Å
47S95.7Very high91.5Very high49 Ų4959.3 Ų59.334%0.34333%0.333SS..SBendtrans-67.8-48.9168.851.10000112.8E85 F86S47-E85 WeakPolarHBondContact CB-OE2 3.35Å; S47-E85 VanDerWaalsContact OG-CA 3.29Å; S47-E85 WeakPolarHBondContact OG-CA 3.45Å; S47-E85 PolarHBondContact OG-OE2 3.41Å; S47-F86 PolarHBondContact N-O 2.95Å; S47-F86 PolarHBondContact OG-N 3.17Å; S47-F86 PolarHBondContact OG-O 2.72Å
48S95.5Very high91.8Very high25 Ų2551.7 Ų51.718%0.17529%0.294CS..  trans-154.4164.2-18078.20000111.5H46 W73 D76 E85H46-S48 PolarHBondContact CD2-O 3.33Å; S48-W73 PolarHBondContact O-NE1 3.4Å; S48-D76 PolarHBondContact OG-N 3.5Å; S48-E85 WeakPolarHBondContact CB-OE2 3.33Å; S48-E85 PolarHBondContact OG-OE1 3.25Å; S48-E85 PolarHBondContact OG-OE2 3.26Å
49A94.3Very high92.1Very high25 Ų2549.1 Ų49.121%0.20728%0.281CS..  trans-151.6131.317600000110.8T51 C74A49-T51 PolarHBondContact O-N 2.86Å; A49-C74 CarbonylContact C-O 3.54Å; A49-C74 WeakPolarHBondContact CA-O 3.37Å
50A91Very high92Very high43 Ų4349 Ų4936%0.35528%0.28SS..SBendtrans-63.8-25.6-175.200000114C74A50-C74 HydrophobicContact CB-CB 4.5Å; A50-C74 PolarHBondContact N-O 2.95Å
51T89.3Confident91.4Very high64 Ų6448 Ų4839%0.39327%0.271SS..SBendtrans-150.6164.6160.6740000109.5A49 Q53 H54 G55A49-T51 PolarHBondContact O-N 2.86Å; T51-Q53 PolarHBondContact O-N 3.02Å; T51-Q53 VanDerWaalsContact O-N 3.11Å; T51-Q53 PolarHBondContact OG1-N 3.13Å; T51-H54 CarbonylContact O-C 3.46Å; T51-H54 WeakPolarHBondContact O-CA 3.43Å; T51-H54 PolarHBondContact O-N 2.86Å; T51-H54 PolarHBondContact OG1-ND1 2.62Å; T51-G55 PolarHBondContact O-N 3.12Å
52L85.3Confident90.6Very high172 Ų17246.1 Ų46.190%0.90126%0.261SS*.G310 helixtrans-54.6-28.6173-173.464.8000113.4H54L52-H54 VanDerWaalsContact C-N 3.26Å; L52-H54 PolarHBondContact O-N 3.03Å
53Q85.7Confident89.5Confident127 Ų12744.2 Ų44.259%0.59325%0.251SS*.G310 helixtrans-72-19174.9-68.3175.3-26.700113.2T51 A58 R71T51-Q53 PolarHBondContact O-N 3.02Å; T51-Q53 VanDerWaalsContact O-N 3.11Å; T51-Q53 PolarHBondContact OG1-N 3.13Å; Q53-A58 WeakPolarHBondContact O-CB 3.39Å; Q53-R71 VanDerWaalsContact O-CZ 3.32Å; Q53-R71 PolarHBondContact O-NE 3.41Å; Q53-R71 PolarHBondContact O-NH2 2.95Å
54H90.2Very high88.4Confident23 Ų2350 Ų5011%0.10628%0.281CS..G310 helixtrans-113.424.7-178.8-5883.6000112.6T51 L52 A72 W73 C74 R105T51-H54 CarbonylContact O-C 3.46Å; T51-H54 WeakPolarHBondContact O-CA 3.43Å; T51-H54 PolarHBondContact O-N 2.86Å; T51-H54 PolarHBondContact OG1-ND1 2.62Å; L52-H54 VanDerWaalsContact C-N 3.26Å; L52-H54 PolarHBondContact O-N 3.03Å; H54-A72 VanDerWaalsContact CA-O 3.27Å; H54-A72 WeakPolarHBondContact CA-O 3.33Å; H54-A72 WeakPolarHBondContact CB-O 3.39Å; H54-A72 PolarHBondContact CD2-O 3.39Å; H54-W73 WeakPolarHBondContact O-CA 3.39Å; H54-W73 VanDerWaalsContact O-CD1 3.32Å; H54-C74 HydrophobicContact CB-CB 4.06Å; H54-C74 PolarHBondContact O-N 3.43Å; H54-C74 VanDerWaalsContact O-N 3.14Å; H54-R105 PolarHBondContact NE2-NH1 3.41Å
55G91.9Very high87.3Confident6 Ų651.2 Ų51.26%0.06229%0.288CS..SBendtrans-69.4170.4168.100000112.7T51 S57 A58T51-G55 PolarHBondContact O-N 3.12Å; G55-S57 PolarHBondContact O-N 2.65Å; G55-S57 VanDerWaalsContact O-N 3.16Å; G55-A58 WeakPolarHBondContact O-CB 3.34Å; G55-A58 PolarHBondContact O-N 3.42Å
56A93.3Very high86.1Confident1 Ų152.2 Ų52.21%0.00830%0.296CS..G310 helixtrans-47.4-45.5-171.900000115.8F44 Q45 H46 A58 A59 M87F44-A56 HydrophobicContact CB-CB 3.72Å; F44-A56 HydrophobicContact CD1-CB 4.41Å; F44-A56 WeakPolarHBondContact CD1-O 3.31Å; Q45-A56 VanDerWaalsContact O-CB 3.25Å; Q45-A56 WeakPolarHBondContact O-CB 3.4Å; H46-A56 HydrophobicContact CB-CB 4.01Å; H46-A56 WeakPolarHBondContact ND1-CB 3.32Å; H46-A56 PolarHBondContact ND1-N 3.21Å; A56-A58 PolarHBondContact O-N 3.5Å; A56-A58 VanDerWaalsContact O-N 3.09Å; A56-A59 VanDerWaalsContact O-CB 3.25Å; A56-A59 WeakPolarHBondContact O-CB 3.36Å; A56-A59 PolarHBondContact O-N 2.69Å; A56-M87 HydrophobicContact CB-CG 3.72Å; A56-M87 HydrophobicContact CB-SD 3.91Å
57S91.8Very high84.9Confident36 Ų3651.5 Ų51.525%0.25230%0.3SS..G310 helixtrans-62.6-19.2-179.2540000114G55 A59 R60G55-S57 PolarHBondContact O-N 2.65Å; G55-S57 VanDerWaalsContact O-N 3.16Å; S57-A59 PolarHBondContact O-N 3.45Å; S57-R60 PolarHBondContact O-N 3.32Å
58A91.1Very high83.9Confident0 Ų049.4 Ų49.40%029%0.285CS..G310 helixtrans-70.2-11172.500000113.8Q53 G55 A56 R60 R71 A72Q53-A58 WeakPolarHBondContact O-CB 3.39Å; G55-A58 WeakPolarHBondContact O-CB 3.34Å; G55-A58 PolarHBondContact O-N 3.42Å; A56-A58 PolarHBondContact O-N 3.5Å; A56-A58 VanDerWaalsContact O-N 3.09Å; A58-R60 VanDerWaalsContact C-N 3.31Å; A58-R71 HydrophobicContact CB-CB 4.08Å; A58-A72 VanDerWaalsContact O-CA 3.24Å; A58-A72 WeakPolarHBondContact O-CA 3.49Å
59A92.4Very high82.6Confident0 Ų053 Ų530%030%0.299CS..G310 helixtrans-76.3-13.7175.400000113.9A56 S57 E61 W73 M87 L179 K180 L181A56-A59 VanDerWaalsContact O-CB 3.25Å; A56-A59 WeakPolarHBondContact O-CB 3.36Å; A56-A59 PolarHBondContact O-N 2.69Å; S57-A59 PolarHBondContact O-N 3.45Å; A59-E61 PolarHBondContact O-N 3.07Å; A59-W73 HydrophobicContact CB-CB 3.91Å; A59-M87 HydrophobicContact CB-CE 3.6Å; A59-M87 HydrophobicContact CB-SD 3.51Å; A59-M87 VanDerWaalsContact CB-SD 3.51Å; A59-L179 WeakPolarHBondContact CB-O 3.41Å; A59-K180 CarbonylContact O-C 3.58Å; A59-K180 WeakPolarHBondContact O-CA 3.48Å; A59-K180 VanDerWaalsContact O-CB 3.3Å; A59-K180 WeakPolarHBondContact O-CB 3.47Å; A59-L181 PolarHBondContact O-N 3.23Å
60R90.4Very high81.6Confident0 Ų056.4 Ų56.40%031%0.311CS..BIsolated β-bridgetrans-63.3129.1179.5-167.1-168.2-58.1-103.56.4110.5L33 V39 D41 S57 A58 D62 L68L33-R60 VanDerWaalsContact O-CD 3.24Å; L33-R60 WeakPolarHBondContact O-CD 3.32Å; L33-R60 VanDerWaalsContact O-CG 3.27Å; L33-R60 WeakPolarHBondContact O-CG 3.11Å; L33-R60 PolarHBondContact O-NH1 2.87Å; V39-R60 PolarHBondContact O-NH1 2.83Å; V39-R60 PolarHBondContact O-NH2 3.46Å; D41-R60 IonicContact OD1-CZ 3.79Å; D41-R60 IonicContact OD1-NE 3.39Å; D41-R60 PolarHBondContact OD1-NE 2.82Å; D41-R60 IonicContact OD1-NH2 3.59Å; D41-R60 PolarHBondContact OD1-NH2 2.93Å; S57-R60 PolarHBondContact O-N 3.32Å; A58-R60 VanDerWaalsContact C-N 3.31Å; R60-D62 PolarHBondContact O-N 3.35Å; R60-L68 HydrophobicContact CB-CD1 4.29Å
61E78.6Confident81.3Confident27 Ų2757.9 Ų57.913%0.12631%0.307CS..  trans-96.185.8173.2-177.8139-133.400111.9A59 K103 K180A59-E61 PolarHBondContact O-N 3.07Å; E61-K103 VanDerWaalsContact OE1-CD 3.24Å; E61-K103 WeakPolarHBondContact OE1-CD 3.49Å; E61-K103 WeakPolarHBondContact OE1-CE 3.2Å; E61-K103 IonicContact OE1-NZ 3.56Å; E61-K103 PolarHBondContact OE1-NZ 3.28Å; E61-K103 WeakPolarHBondContact OE2-CD 3.23Å; E61-K103 IonicContact OE2-NZ 2.71Å; E61-K180 HydrophobicContact CB-CD 4.46Å
62D74.5Confident81.4Confident31 Ų3154.9 Ų54.917%0.16629%0.288CS..  trans-99.7109.4168.5-177.6-7.7000109.3R36 R60 N64 D65 L68R36-D62 IonicContact CZ-OD2 2.78Å; R36-D62 IonicContact NE-OD2 3.36Å; R36-D62 IonicContact NH2-OD2 3.84Å; R36-D62 PolarHBondContact NH2-OD2 3.22Å; R60-D62 PolarHBondContact O-N 3.35Å; D62-N64 PolarHBondContact O-N 3.3Å; D62-N64 WeakPolarHBondContact OD1-CB 3.26Å; D62-N64 PolarHBondContact OD1-N 2.82Å; D62-N64 PolarHBondContact OD1-ND2 3.43Å; D62-D65 HydrophobicContact CB-CB 4.04Å; D62-D65 PolarHBondContact O-N 2.92Å; D62-L68 HydrophobicContact CB-CD1 4.23Å
63P69.1Low81.9Confident85 Ų8546.7 Ų46.755%0.55225%0.246SC*.THydrogen-bonded Turntrans-68.2-20.5-17827.9-34.5000113.1Q69P63-Q69 PolarHBondContact O-NE2 2.96Å; P63-Q69 VanDerWaalsContact O-NE2 3.12Å
64N71.1Confident82.3Confident136 Ų13640.9 Ų40.973%0.72722%0.219SC*.THydrogen-bonded Turntrans-82.7-23.7-179.6-47-77.2000112.1D62 L66D62-N64 PolarHBondContact O-N 3.3Å; D62-N64 WeakPolarHBondContact OD1-CB 3.26Å; D62-N64 PolarHBondContact OD1-N 2.82Å; D62-N64 PolarHBondContact OD1-ND2 3.43Å; N64-L66 PolarHBondContact O-N 2.98Å
65D72.7Confident82.6Confident37 Ų3740 Ų4020%0.19822%0.215CC..  trans-90.191.4178.3-173.6-8.1000110.8R36 D62 S67 L68R36-D65 IonicContact CZ-OD2 3.16Å; R36-D65 IonicContact NH1-OD2 2.71Å; R36-D65 IonicContact NH2-OD2 3.57Å; R36-D65 PolarHBondContact NH2-OD2 2.95Å; D62-D65 HydrophobicContact CB-CB 4.04Å; D62-D65 PolarHBondContact O-N 2.92Å; D65-S67 PolarHBondContact O-N 2.98Å; D65-S67 WeakPolarHBondContact OD1-CA 3.27Å; D65-S67 WeakPolarHBondContact OD1-CB 3.42Å; D65-S67 PolarHBondContact OD1-N 3.32Å; D65-S67 PolarHBondContact OD1-OG 3.46Å; D65-S67 PolarHBondContact OD2-OG 3.3Å; D65-L68 HydrophobicContact CB-CB 4.38Å; D65-L68 HydrophobicContact CB-CD1 4.27Å; D65-L68 HydrophobicContact CB-CG 4.37Å; D65-L68 PolarHBondContact O-N 3.48Å; D65-L68 WeakPolarHBondContact OD2-CD1 3.44Å; D65-L68 WeakPolarHBondContact OD2-CG 3.3Å
66L69.3Low82.7Confident126 Ų12644.4 Ų44.466%0.6624%0.237SC*.Hα-helixtrans-55.3-24.7175.5-80.172.2000112.7N64 L68 Q69N64-L66 PolarHBondContact O-N 2.98Å; L66-L68 VanDerWaalsContact C-N 3.29Å; L66-L68 PolarHBondContact O-N 3.39Å; L66-Q69 PolarHBondContact O-N 2.96Å
67S70.6Confident82.7Confident68 Ų6846.1 Ų46.148%0.47625%0.252SS..Hα-helixtrans-71.1-24.5177.685.10000112.9D65 R71D65-S67 PolarHBondContact O-N 2.98Å; D65-S67 WeakPolarHBondContact OD1-CA 3.27Å; D65-S67 WeakPolarHBondContact OD1-CB 3.42Å; D65-S67 PolarHBondContact OD1-N 3.32Å; D65-S67 PolarHBondContact OD1-OG 3.46Å; D65-S67 PolarHBondContact OD2-OG 3.3Å; S67-R71 WeakPolarHBondContact O-CD 3.24Å; S67-R71 VanDerWaalsContact O-CG 3.3Å; S67-R71 WeakPolarHBondContact O-CG 2.98Å
68L73Confident82.8Confident6 Ų650.7 Ų50.73%0.03127%0.267CS..Hα-helixtrans-89.4-7.6174.9-70.1178.8000113.5R60 D62 D65 L66 K180R60-L68 HydrophobicContact CB-CD1 4.29Å; D62-L68 HydrophobicContact CB-CD1 4.23Å; D65-L68 HydrophobicContact CB-CB 4.38Å; D65-L68 HydrophobicContact CB-CD1 4.27Å; D65-L68 HydrophobicContact CB-CG 4.37Å; D65-L68 PolarHBondContact O-N 3.48Å; D65-L68 WeakPolarHBondContact OD2-CD1 3.44Å; D65-L68 WeakPolarHBondContact OD2-CG 3.3Å; L66-L68 VanDerWaalsContact C-N 3.29Å; L66-L68 PolarHBondContact O-N 3.39Å; L68-K180 PolarHBondContact O-NZ 3.46Å
69Q69Low83Confident101 Ų10150.8 Ų50.847%0.47227%0.267SS..Hα-helixtrans-65.4-44.6-177.9-70.1-177.84.600112.2P63 L66 K180P63-Q69 PolarHBondContact O-NE2 2.96Å; P63-Q69 VanDerWaalsContact O-NE2 3.12Å; L66-Q69 PolarHBondContact O-N 2.96Å; Q69-K180 PolarHBondContact O-NZ 2.81Å
70E73.6Confident83Confident96 Ų9650.9 Ų50.945%0.44927%0.268SS..SBendtrans-86.9-14.2178.4-57.2-157.213900115.2Q108E70-Q108 WeakPolarHBondContact OE1-CG 3.44Å; E70-Q108 PolarHBondContact OE1-NE2 2.87Å
71R85.4Confident83.2Confident74 Ų7456.6 Ų56.628%0.27929%0.293SS..  trans-86.9160.6-179.3-60.4174.565.9-168.3-5.1110.4Q53 A58 S67 K180Q53-R71 VanDerWaalsContact O-CZ 3.32Å; Q53-R71 PolarHBondContact O-NE 3.41Å; Q53-R71 PolarHBondContact O-NH2 2.95Å; A58-R71 HydrophobicContact CB-CB 4.08Å; S67-R71 WeakPolarHBondContact O-CD 3.24Å; S67-R71 VanDerWaalsContact O-CG 3.3Å; S67-R71 WeakPolarHBondContact O-CG 2.98Å; R71-K180 WeakPolarHBondContact O-CE 3.41Å
72A91.6Very high83.8Confident0 Ų059.2 Ų59.20%031%0.305CS..  trans-162.5166.4168.700000107.7H54 A58 R105 C178 K180H54-A72 VanDerWaalsContact CA-O 3.27Å; H54-A72 WeakPolarHBondContact CA-O 3.33Å; H54-A72 WeakPolarHBondContact CB-O 3.39Å; H54-A72 PolarHBondContact CD2-O 3.39Å; A58-A72 VanDerWaalsContact O-CA 3.24Å; A58-A72 WeakPolarHBondContact O-CA 3.49Å; A72-R105 HydrophobicContact CB-CB 3.75Å; A72-R105 HydrophobicContact CB-CG 3.7Å; A72-C178 HydrophobicContact CB-CB 4.24Å; A72-K180 HydrophobicContact CB-CG 4.01Å
73W94.9Very high84.7Confident1 Ų160.6 Ų60.60%0.00431%0.312CS..BIsolated β-bridgetrans-71.1134.6163.4173.558.7000109.5S48 H54 A59 P75 F86 M87 P169 C178 L179S48-W73 PolarHBondContact O-NE1 3.4Å; H54-W73 WeakPolarHBondContact O-CA 3.39Å; H54-W73 VanDerWaalsContact O-CD1 3.32Å; A59-W73 HydrophobicContact CB-CB 3.91Å; W73-P75 HydrophobicContact CH2-CG 3.88Å; W73-P75 HydrophobicContact CZ2-CG 3.66Å; W73-P75 HydrophobicContact CZ3-CG 4.45Å; W73-F86 VanDerWaalsContact CZ2-C 3.44Å; W73-F86 WeakPolarHBondContact CZ2-O 3.44Å; W73-M87 HydrophobicContact CB-SD 3.97Å; W73-M87 HydrophobicContact CD2-CB 3.89Å; W73-M87 HydrophobicContact CD2-SD 4.15Å; W73-M87 HydrophobicContact CE3-CB 3.69Å; W73-M87 HydrophobicContact CE3-CE 4.44Å; W73-M87 HydrophobicContact CE3-SD 4.15Å; W73-M87 HydrophobicContact CG-SD 4.09Å; W73-M87 HydrophobicContact CH2-CB 3.95Å; W73-M87 HydrophobicContact CZ2-CB 4.12Å; W73-M87 HydrophobicContact CZ3-CB 3.72Å; W73-P169 HydrophobicContact CH2-CG 3.91Å; W73-P169 HydrophobicContact CZ3-CG 4.02Å; W73-C178 CarbonylContact O-C 3.5Å; W73-C178 VanDerWaalsContact O-CA 3.23Å; W73-C178 WeakPolarHBondContact O-CA 3.25Å; W73-C178 WeakPolarHBondContact O-CB 3.43Å; W73-L179 HydrophobicContact CE3-CB 4.24Å; W73-L179 HydrophobicContact CE3-CD2 4.38Å; W73-L179 HydrophobicContact CZ3-CD2 4.44Å; W73-L179 PolarHBondContact N-O 2.66Å; W73-L179 PolarHBondContact O-N 3.19Å
74C94.9Very high85.9Confident5 Ų565.2 Ų65.23%0.03432%0.319CS..  trans-141.8114.6177.3-55.80000109.2A49 A50 H54 C178A49-C74 CarbonylContact C-O 3.54Å; A49-C74 WeakPolarHBondContact CA-O 3.37Å; A50-C74 HydrophobicContact CB-CB 4.5Å; A50-C74 PolarHBondContact N-O 2.95Å; H54-C74 HydrophobicContact CB-CB 4.06Å; H54-C74 PolarHBondContact O-N 3.43Å; H54-C74 VanDerWaalsContact O-N 3.14Å; C74-C178 HydrophobicContact CB-CB 4.16Å; C74-C178 WeakPolarHBondContact CB-SG 3.35Å; C74-C178 WeakPolarHBondContact SG-CB 3.08Å; C74-C178 CovalentContact SG-SG 2.04Å; C74-C178 PolarHBondContact SG-SG 2.8Å
75P95.8Very high87.1Confident3 Ų360 Ų602%0.01929%0.29CS..  trans-57.6153.5176.5-24.432.7000114.1W73 V79 E85 P169 K176W73-P75 HydrophobicContact CH2-CG 3.88Å; W73-P75 HydrophobicContact CZ2-CG 3.66Å; W73-P75 HydrophobicContact CZ3-CG 4.45Å; P75-V79 HydrophobicContact CB-CG2 4.32Å; P75-V79 HydrophobicContact CG-CG2 3.99Å; P75-E85 HydrophobicContact CB-CB 4.09Å; P75-E85 HydrophobicContact CB-CG 3.76Å; P75-E85 HydrophobicContact CG-CB 4.07Å; P75-E85 HydrophobicContact CG-CG 4.27Å; P75-P169 HydrophobicContact CG-CG 4.47Å; P75-K176 PolarHBondContact O-NZ 2.92Å; P75-K176 VanDerWaalsContact O-NZ 3.15Å
76D94Very high88.2Confident100 Ų10060.2 Ų60.254%0.53529%0.289SS..SBendtrans-81.5-27.3174.2-168.748.7000113.2S48 K176S48-D76 PolarHBondContact OG-N 3.5Å; D76-K176 PolarHBondContact O-NZ 3.44Å
77A92.7Very high89.5Confident37 Ų3754.2 Ų54.231%0.30626%0.258SS..SBendtrans-67.1172.8165.600000112.3E85 K176A77-E85 HydrophobicContact CB-CG 4.03Å; A77-E85 WeakPolarHBondContact CB-OE1 3.42Å; A77-K176 WeakPolarHBondContact O-CE 3.06Å; A77-K176 PolarHBondContact O-NZ 3.01Å
78K94Very high90.7Very high131 Ų13151.3 Ų51.357%0.5724%0.237SC*.PPolyproline II helixtrans-86.9134.5151.5-78.8177.4165.2-161.70107.3P174 T175 K176K78-P174 HydrophobicContact CB-CB 4.2Å; K78-P174 HydrophobicContact CD-CB 4.39Å; K78-P174 WeakPolarHBondContact CD-O 3.3Å; K78-T175 CarbonylContact C-O 3.41Å; K78-T175 VanDerWaalsContact CA-O 3.27Å; K78-T175 WeakPolarHBondContact CA-O 3.08Å; K78-K176 HydrophobicContact CG-CG 4.16Å
79V94.7Very high91.8Very high2 Ų251 Ų511%0.01224%0.236CC..BIsolated β-bridgetrans-86.8127.4177.6174.50000109.5P75 E85 P169 P174 T175 T177P75-V79 HydrophobicContact CB-CG2 4.32Å; P75-V79 HydrophobicContact CG-CG2 3.99Å; V79-E85 HydrophobicContact CG2-CB 4.21Å; V79-E85 HydrophobicContact CG2-CG 4.16Å; V79-P169 HydrophobicContact CG1-CB 4.05Å; V79-P169 HydrophobicContact CG1-CG 4.16Å; V79-P169 WeakPolarHBondContact CG1-O 3.29Å; V79-P169 HydrophobicContact CG2-CB 4.37Å; V79-P169 HydrophobicContact CG2-CG 3.88Å; V79-P174 WeakPolarHBondContact O-CA 3.48Å; V79-T175 PolarHBondContact N-O 2.86Å; V79-T175 PolarHBondContact O-N 2.94Å; V79-T177 HydrophobicContact CB-CG2 4.08Å; V79-T177 VanDerWaalsContact CG2-OG1 3.31Å; V79-T177 WeakPolarHBondContact CG2-OG1 3.39Å
80G92.8Very high93.1Very high2 Ų247.6 Ų47.62%0.02122%0.221CC..  trans-121.4-125.3171.900000111.6E82 S171G80-E82 WeakPolarHBondContact CA-OE1 3.24Å; G80-E82 VanDerWaalsContact CA-OE2 3.28Å; G80-E82 WeakPolarHBondContact CA-OE2 3.38Å; G80-E82 PolarHBondContact N-OE1 2.81Å; G80-S171 CarbonylContact C-O 3.6Å; G80-S171 WeakPolarHBondContact CA-O 3.25Å; G80-S171 PolarHBondContact O-N 3.02Å
81K94Very high94.1Very high120 Ų12043.1 Ų43.152%0.52220%0.2SC..SBendtrans-103.4-7.4-173.9-59-175.7-176.8175.10113.7Y170 S171 L172K81-Y170 HydrophobicContact CB-CE2 3.83Å; K81-Y170 HydrophobicContact CG-CE2 4Å; K81-S171 WeakPolarHBondContact CG-O 3.24Å; K81-L172 WeakPolarHBondContact CE-O 3.49Å
82E92.3Very high94.3Very high82 Ų8241.4 Ų41.438%0.38321%0.205SC..SBendtrans-82.8-6-168.164.6-64137.200115.7G80 R84G80-E82 WeakPolarHBondContact CA-OE1 3.24Å; G80-E82 VanDerWaalsContact CA-OE2 3.28Å; G80-E82 WeakPolarHBondContact CA-OE2 3.38Å; G80-E82 PolarHBondContact N-OE1 2.81Å; E82-R84 HydrophobicContact CB-CG 4.22Å; E82-R84 HydrophobicContact CG-CB 4.29Å; E82-R84 HydrophobicContact CG-CG 3.79Å; E82-R84 PolarHBondContact O-N 3.46Å
83L92.5Very high94.3Very high60 Ų6044.8 Ų44.831%0.31422%0.217SC..  trans49.932.5174.8-59.1176.8000114.9Y119 Y168 Y170L83-Y119 HydrophobicContact CD1-CD2 4.23Å; L83-Y119 HydrophobicContact CD1-CE2 4.36Å; L83-Y119 HydrophobicContact CD1-CG 4.48Å; L83-Y119 HydrophobicContact CD2-CD2 3.59Å; L83-Y119 HydrophobicContact CD2-CE2 3.99Å; L83-Y119 HydrophobicContact CD2-CG 4.36Å; L83-Y168 HydrophobicContact CB-CD1 4.31Å; L83-Y168 VanDerWaalsContact O-CD1 3.25Å; L83-Y168 WeakPolarHBondContact O-CD1 3.44Å; L83-Y168 WeakPolarHBondContact O-CE1 3.25Å; L83-Y170 HydrophobicContact CD2-CD2 3.87Å; L83-Y170 HydrophobicContact CG-CD2 4.48Å
84R94.5Very high94.1Very high183 Ų18345 Ų4569%0.69122%0.218SC*.  trans-79-36.8-180-69.3176.2-175.2-179.3-0.2113.1E82E82-R84 HydrophobicContact CB-CG 4.22Å; E82-R84 HydrophobicContact CG-CB 4.29Å; E82-R84 HydrophobicContact CG-CG 3.79Å; E82-R84 PolarHBondContact O-N 3.46Å
85E95.9Very high94Very high25 Ų2544.8 Ų44.812%0.11722%0.217CC..  trans-84.2138.7-178.5-60.2-61.2158.900110.9S47 S48 P75 A77 V79 Y168 P169S47-E85 WeakPolarHBondContact CB-OE2 3.35Å; S47-E85 VanDerWaalsContact OG-CA 3.29Å; S47-E85 WeakPolarHBondContact OG-CA 3.45Å; S47-E85 PolarHBondContact OG-OE2 3.41Å; S48-E85 WeakPolarHBondContact CB-OE2 3.33Å; S48-E85 PolarHBondContact OG-OE1 3.25Å; S48-E85 PolarHBondContact OG-OE2 3.26Å; P75-E85 HydrophobicContact CB-CB 4.09Å; P75-E85 HydrophobicContact CB-CG 3.76Å; P75-E85 HydrophobicContact CG-CB 4.07Å; P75-E85 HydrophobicContact CG-CG 4.27Å; A77-E85 HydrophobicContact CB-CG 4.03Å; A77-E85 WeakPolarHBondContact CB-OE1 3.42Å; V79-E85 HydrophobicContact CG2-CB 4.21Å; V79-E85 HydrophobicContact CG2-CG 4.16Å; E85-Y168 WeakPolarHBondContact O-CD1 3.33Å; E85-P169 HydrophobicContact CB-CG 4.38Å; E85-P169 WeakPolarHBondContact O-CD 3.4Å
86F96.6Very high93.8Very high42 Ų4245.2 Ų45.218%0.18422%0.219CC..  trans-153.2156174.665.9-89.7000112.5H46 S47 W73 E88 R166 I167 Y168H46-F86 WeakPolarHBondContact CA-O 3.43Å; S47-F86 PolarHBondContact N-O 2.95Å; S47-F86 PolarHBondContact OG-N 3.17Å; S47-F86 PolarHBondContact OG-O 2.72Å; W73-F86 VanDerWaalsContact CZ2-C 3.44Å; W73-F86 WeakPolarHBondContact CZ2-O 3.44Å; F86-E88 HydrophobicContact CD2-CB 4.32Å; F86-E88 HydrophobicContact CE2-CB 4.29Å; F86-R166 HydrophobicContact CD2-CG 3.84Å; F86-R166 HydrophobicContact CE2-CG 4.39Å; F86-I167 VanDerWaalsContact CA-O 3.29Å; F86-I167 WeakPolarHBondContact CA-O 3.42Å; F86-Y168 HydrophobicContact CB-CD1 3.73Å; F86-Y168 HydrophobicContact CB-CD2 4.3Å; F86-Y168 HydrophobicContact CB-CE1 3.64Å; F86-Y168 HydrophobicContact CB-CE2 4.21Å; F86-Y168 HydrophobicContact CB-CG 4.07Å; F86-Y168 AromaticContact CD1-CE1 3.89Å; F86-Y168 HydrophobicContact CD1-CE1 3.89Å; F86-Y168 HydrophobicContact CG-CE1 4.05Å
87M96.1Very high93.8Very high0 Ų040.5 Ų40.50%019%0.194CC..EExtended strand (participates in β ladder)trans-113.2129.6165.2176.4170.871.700108.5F44 Q45 A56 A59 W73 I89 R166 I167 L179 L181F44-M87 HydrophobicContact CD1-SD 4.37Å; Q45-M87 CarbonylContact O-C 3.58Å; Q45-M87 WeakPolarHBondContact O-CA 3.37Å; A56-M87 HydrophobicContact CB-CG 3.72Å; A56-M87 HydrophobicContact CB-SD 3.91Å; A59-M87 HydrophobicContact CB-CE 3.6Å; A59-M87 HydrophobicContact CB-SD 3.51Å; A59-M87 VanDerWaalsContact CB-SD 3.51Å; W73-M87 HydrophobicContact CB-SD 3.97Å; W73-M87 HydrophobicContact CD2-CB 3.89Å; W73-M87 HydrophobicContact CD2-SD 4.15Å; W73-M87 HydrophobicContact CE3-CB 3.69Å; W73-M87 HydrophobicContact CE3-CE 4.44Å; W73-M87 HydrophobicContact CE3-SD 4.15Å; W73-M87 HydrophobicContact CG-SD 4.09Å; W73-M87 HydrophobicContact CH2-CB 3.95Å; W73-M87 HydrophobicContact CZ2-CB 4.12Å; W73-M87 HydrophobicContact CZ3-CB 3.72Å; M87-I89 HydrophobicContact CE-CD1 4.37Å; M87-R166 CarbonylContact O-C 3.53Å; M87-R166 VanDerWaalsContact O-CA 3.24Å; M87-R166 WeakPolarHBondContact O-CA 3.49Å; M87-I167 PolarHBondContact N-O 2.87Å; M87-I167 VanDerWaalsContact N-O 3.08Å; M87-I167 PolarHBondContact O-N 2.98Å; M87-L179 HydrophobicContact CE-CD2 4.41Å; M87-L181 HydrophobicContact CE-CB 4.11Å; M87-L181 HydrophobicContact CE-CD2 3.98Å
88E96.1Very high93.8Very high8 Ų840.7 Ų40.74%0.03719%0.188CC..EExtended strand (participates in β ladder)trans-108.4142.5176-179.3165.7175.900110.7Q45 F86 R123 W130 I165 R166Q45-E88 HydrophobicContact CB-CB 4.22Å; Q45-E88 PolarHBondContact N-O 2.96Å; Q45-E88 PolarHBondContact O-N 2.67Å; F86-E88 HydrophobicContact CD2-CB 4.32Å; F86-E88 HydrophobicContact CE2-CB 4.29Å; E88-R123 IonicContact OE1-CZ 3.2Å; E88-R123 IonicContact OE1-NE 2.69Å; E88-R123 IonicContact OE1-NH2 3.99Å; E88-R123 PolarHBondContact OE1-NH2 3.06Å; E88-W130 HydrophobicContact CG-CH2 4.05Å; E88-W130 WeakPolarHBondContact OE1-CH2 3.4Å; E88-W130 VanDerWaalsContact OE1-CZ2 3.31Å; E88-W130 WeakPolarHBondContact OE1-CZ2 3.41Å; E88-I165 CarbonylContact C-O 3.59Å; E88-I165 VanDerWaalsContact CA-O 3.29Å; E88-I165 WeakPolarHBondContact CA-O 3.37Å; E88-R166 HydrophobicContact CB-CG 3.75Å; E88-R166 HydrophobicContact CG-CG 4.01Å; E88-R166 IonicContact OE2-CZ 3.78Å; E88-R166 IonicContact OE2-NE 2.95Å; E88-R166 PolarHBondContact OE2-NE 2.96Å; E88-R166 IonicContact OE2-NH2 2.79Å; E88-R166 PolarHBondContact OE2-NH2 2.88Å
89I96.4Very high93.8Very high0 Ų036 Ų360%017%0.169CC..EExtended strand (participates in β ladder)trans-133.3128.6177.9-51.4176000108.5L33 V39 F44 M87 L91 Y164 I165 L181L33-I89 HydrophobicContact CD1-CD1 3.82Å; L33-I89 HydrophobicContact CD2-CD1 4.37Å; L33-I89 HydrophobicContact CD2-CG2 4.02Å; V39-I89 HydrophobicContact CG1-CG2 4.25Å; F44-I89 HydrophobicContact CD1-CD1 4.04Å; F44-I89 HydrophobicContact CD1-CG1 3.85Å; F44-I89 HydrophobicContact CE1-CD1 3.56Å; F44-I89 HydrophobicContact CE1-CG1 3.88Å; F44-I89 HydrophobicContact CE1-CG2 4.44Å; F44-I89 HydrophobicContact CE2-CG2 4.36Å; F44-I89 HydrophobicContact CG-CG1 4.49Å; F44-I89 HydrophobicContact CZ-CD1 4.17Å; F44-I89 HydrophobicContact CZ-CG2 4.3Å; M87-I89 HydrophobicContact CE-CD1 4.37Å; I89-L91 HydrophobicContact CG2-CD2 4.16Å; I89-Y164 VanDerWaalsContact O-CA 3.3Å; I89-Y164 WeakPolarHBondContact O-CA 3.46Å; I89-I165 PolarHBondContact N-O 3.02Å; I89-I165 PolarHBondContact O-N 3.34Å; I89-L181 HydrophobicContact CD1-CD2 3.61Å
90D95.7Very high93.9Very high29 Ų2935.9 Ų35.916%0.15517%0.168CC..EExtended strand (participates in β ladder)trans-93.3118.4163.9-173.8-3.7000109.7S43 G92 R163 Y164S43-D90 WeakPolarHBondContact CB-O 3.22Å; S43-D90 PolarHBondContact O-N 3.26Å; S43-D90 VanDerWaalsContact O-N 3.14Å; D90-G92 PolarHBondContact O-N 3.32Å; D90-G92 WeakPolarHBondContact OD1-CA 3.4Å; D90-G92 PolarHBondContact OD1-N 3.43Å; D90-R163 VanDerWaalsContact OD1-CG 3.25Å; D90-R163 WeakPolarHBondContact OD1-CG 3.43Å; D90-R163 IonicContact OD1-CZ 3.69Å; D90-R163 IonicContact OD1-NE 2.75Å; D90-R163 PolarHBondContact OD1-NE 3.41Å; D90-R163 IonicContact OD1-NH2 2.76Å; D90-R163 PolarHBondContact OD1-NH2 2.82Å; D90-R163 IonicContact OD2-CZ 2.62Å; D90-R163 IonicContact OD2-NE 3.44Å; D90-R163 PolarHBondContact OD2-NE 3.35Å; D90-R163 IonicContact OD2-NH2 3.84Å; D90-R163 PolarHBondContact OD2-NH2 3.25Å; D90-Y164 HydrophobicContact CB-CD1 3.71Å; D90-Y164 HydrophobicContact CB-CE1 3.59Å; D90-Y164 WeakPolarHBondContact OD2-CE1 3.47Å; D90-Y164 PolarHBondContact OD2-OH 3.15Å
91L94.7Very high94Very high2 Ų236.1 Ų36.11%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-770.6176.8-60177.7000113.2L32 L33 V39 I89 R93 I97 R163 I165 L183L32-L91 HydrophobicContact CD1-CD1 4.38Å; L33-L91 HydrophobicContact CD2-CD2 3.82Å; V39-L91 HydrophobicContact CG2-CD2 4.37Å; I89-L91 HydrophobicContact CG2-CD2 4.16Å; L91-R93 PolarHBondContact O-N 3.18Å; L91-I97 HydrophobicContact CD1-CD1 3.85Å; L91-R163 WeakPolarHBondContact CB-O 3.33Å; L91-R163 WeakPolarHBondContact CG-O 3.27Å; L91-R163 PolarHBondContact N-O 2.99Å; L91-I165 HydrophobicContact CD1-CD1 3.91Å; L91-L183 HydrophobicContact CD2-CD1 4.1Å
92G90.7Very high94.1Very high37 Ų3730.4 Ų30.438%0.38114%0.144SC..EExtended strand (participates in β ladder)trans72.7-28.1-176.600000114D90D90-G92 PolarHBondContact O-N 3.32Å; D90-G92 WeakPolarHBondContact OD1-CA 3.4Å; D90-G92 PolarHBondContact OD1-N 3.43Å
93R90Very high94.1Very high72 Ų7228.2 Ų28.227%0.27213%0.133SC..EExtended strand (participates in β ladder)trans-142.1158.5-179.759.1165.9175.1-171.61.4112.7L38 L91 S95 E187L38-R93 HydrophobicContact CD1-CG 4.29Å; L91-R93 PolarHBondContact O-N 3.18Å; R93-S95 PolarHBondContact O-N 3.28Å; R93-S95 PolarHBondContact O-OG 3.29Å; R93-S95 VanDerWaalsContact O-OG 3.12Å; R93-E187 WeakPolarHBondContact CD-OE1 3.22Å; R93-E187 IonicContact CZ-OE1 2.69Å; R93-E187 IonicContact CZ-OE2 3.3Å; R93-E187 IonicContact NE-OE1 3.15Å; R93-E187 IonicContact NH1-OE1 2.74Å; R93-E187 PolarHBondContact NH1-OE1 3.22Å; R93-E187 IonicContact NH1-OE2 2.69Å; R93-E187 PolarHBondContact NH1-OE2 3.48Å
94Q91.8Very high94Very high4 Ų425.5 Ų25.52%0.01912%0.12CC..EExtended strand (participates in β ladder)trans-68.2120.5178.1-162.750.444.700110.7R124 V161 A162 A188Q94-R124 PolarHBondContact OE1-O 2.73Å; Q94-V161 HydrophobicContact CG-CG1 4.11Å; Q94-V161 PolarHBondContact NE2-O 3.24Å; Q94-A162 VanDerWaalsContact NE2-C 3.27Å; Q94-A162 VanDerWaalsContact NE2-CA 3.29Å; Q94-A188 HydrophobicContact CG-CB 4.19Å; Q94-A188 WeakPolarHBondContact O-CB 3.29Å; Q94-A188 PolarHBondContact O-N 2.95Å
95S92.2Very high93.8Very high2 Ų217.6 Ų17.61%0.0149%0.09CC..EExtended strand (participates in β ladder)trans-132.7145.2-169.6-54.70000112.4R93 V161 A162 C186R93-S95 PolarHBondContact O-N 3.28Å; R93-S95 PolarHBondContact O-OG 3.29Å; R93-S95 VanDerWaalsContact O-OG 3.12Å; S95-V161 WeakPolarHBondContact O-CA 3.45Å; S95-A162 PolarHBondContact N-O 3.3Å; S95-A162 PolarHBondContact O-N 3.47Å; S95-A162 VanDerWaalsContact O-O 3.13Å; S95-C186 CarbonylContact C-O 3.48Å; S95-C186 VanDerWaalsContact CA-O 3.29Å; S95-C186 WeakPolarHBondContact CA-O 3.49Å; S95-C186 WeakPolarHBondContact CB-O 3.36Å
96I92.7Very high93.3Very high12 Ų1219 Ų196%0.06210%0.1CC..EExtended strand (participates in β ladder)trans-86.6123.9172-45.9-175.5000108K98 P159 V161 G185 C186 A188 N266I96-K98 HydrophobicContact CG2-CG 4.3Å; I96-P159 HydrophobicContact CG2-CB 4.12Å; I96-V161 HydrophobicContact CG1-CG2 4.31Å; I96-G185 WeakPolarHBondContact O-CA 3.41Å; I96-C186 PolarHBondContact N-O 2.84Å; I96-C186 PolarHBondContact O-N 2.84Å; I96-C186 VanDerWaalsContact O-N 3.15Å; I96-A188 HydrophobicContact CD1-CB 4.49Å; I96-A188 HydrophobicContact CG1-CB 3.59Å; I96-N266 HydrophobicContact CD1-CB 4.17Å
97I94.1Very high92.3Very high0 Ų017.5 Ų17.50%010%0.096CC..EExtended strand (participates in β ladder)trans-104115.5179-46.4-58.2000109L32 L91 I100 M156 P159 F160 A162 I165 L183L32-I97 HydrophobicContact CD1-CD1 3.55Å; L91-I97 HydrophobicContact CD1-CD1 3.85Å; I97-I100 HydrophobicContact CG2-CG1 4.21Å; I97-M156 HydrophobicContact CG2-CG 4.27Å; I97-P159 WeakPolarHBondContact O-CA 3.24Å; I97-F160 HydrophobicContact CB-CD1 4.16Å; I97-F160 HydrophobicContact CB-CD2 4.48Å; I97-F160 HydrophobicContact CB-CE1 3.8Å; I97-F160 HydrophobicContact CB-CE2 4.14Å; I97-F160 HydrophobicContact CB-CG 4.5Å; I97-F160 HydrophobicContact CB-CZ 3.78Å; I97-F160 HydrophobicContact CG1-CD2 4.31Å; I97-F160 HydrophobicContact CG1-CE1 4.36Å; I97-F160 HydrophobicContact CG1-CE2 3.81Å; I97-F160 HydrophobicContact CG1-CZ 3.84Å; I97-F160 HydrophobicContact CG2-CE1 3.86Å; I97-F160 HydrophobicContact CG2-CZ 3.9Å; I97-F160 PolarHBondContact N-O 3.47Å; I97-F160 PolarHBondContact O-N 3.42Å; I97-A162 HydrophobicContact CG1-CB 4.5Å; I97-I165 HydrophobicContact CD1-CD1 3.81Å; I97-I165 HydrophobicContact CG1-CD1 3.78Å; I97-L183 HydrophobicContact CG2-CD2 4.49Å
98K93Very high91Very high42 Ų4226 Ų2618%0.18314%0.135CC..EExtended strand (participates in β ladder)trans-104.9-24.2-179.6-61.4-145.4169.8-156.60113.4C28 I96 M156 P159 L184 N266C28-K98 HydrophobicContact CB-CD 4.36Å; I96-K98 HydrophobicContact CG2-CG 4.3Å; K98-M156 PolarHBondContact O-N 3.1Å; K98-P159 HydrophobicContact CD-CG 4.3Å; K98-P159 HydrophobicContact CG-CB 4.17Å; K98-P159 HydrophobicContact CG-CG 4.3Å; K98-L184 PolarHBondContact N-O 3.3Å; K98-N266 PolarHBondContact NZ-O 3.39Å
99L93.6Very high89.5Confident31 Ų3130.9 Ų30.916%0.16217%0.17CC..EExtended strand (participates in β ladder)trans-154.5134.6-175.6164.963.6000110.9I101 F153 N154 L184L99-I101 HydrophobicContact CG-CG1 4.39Å; L99-F153 HydrophobicContact CD1-CB 4.1Å; L99-F153 HydrophobicContact CD1-CD1 4.27Å; L99-F153 HydrophobicContact CD2-CD1 4.31Å; L99-N154 WeakPolarHBondContact CA-O 3.49Å; L99-N154 VanDerWaalsContact CD1-C 3.45Å; L99-N154 WeakPolarHBondContact CD1-O 3.37Å; L99-L184 HydrophobicContact CB-CB 4.16Å; L99-L184 HydrophobicContact CD2-CB 4.46Å; L99-L184 HydrophobicContact CD2-CD1 4.39Å; L99-L184 HydrophobicContact CD2-CD2 4.2Å; L99-L184 HydrophobicContact CG-CB 4.46Å; L99-L184 HydrophobicContact CG-CD1 4.38Å; L99-L184 PolarHBondContact N-O 2.67Å; L99-L184 PolarHBondContact O-N 2.94Å
100I96Very high87.9Confident0 Ų038.1 Ų38.10%020%0.202CC..EExtended strand (participates in β ladder)trans-111.1125.6172.4-59-177.8000108.6I97 T102 F118 V120 N154 M156 I167 L181 L183I97-I100 HydrophobicContact CG2-CG1 4.21Å; I100-T102 HydrophobicContact CG2-CG2 4.16Å; I100-F118 HydrophobicContact CG2-CE2 4.36Å; I100-F118 HydrophobicContact CG2-CZ 4.23Å; I100-V120 HydrophobicContact CD1-CG2 3.88Å; I100-N154 PolarHBondContact N-O 3.35Å; I100-N154 PolarHBondContact O-N 3.16Å; I100-M156 HydrophobicContact CB-CE 3.99Å; I100-M156 HydrophobicContact CD1-CE 3.77Å; I100-M156 HydrophobicContact CD1-SD 3.79Å; I100-M156 HydrophobicContact CG1-CE 3.72Å; I100-M156 HydrophobicContact CG1-CG 4.29Å; I100-M156 HydrophobicContact CG1-SD 4.06Å; I100-I167 HydrophobicContact CD1-CD1 4.47Å; I100-L181 HydrophobicContact CG2-CD1 3.54Å; I100-L183 HydrophobicContact CB-CD2 4.34Å; I100-L183 HydrophobicContact CD1-CD2 4.22Å; I100-L183 HydrophobicContact CG1-CD2 3.72Å; I100-L183 HydrophobicContact CG2-CD2 4.15Å
101I95.1Very high86.7Confident7 Ų738.8 Ų38.84%0.03622%0.216CC..EExtended strand (participates in β ladder)trans-102.4129.4171.4-54177.3000108.4L99 E151 N152 F153 L181 E182 L184L99-I101 HydrophobicContact CG-CG1 4.39Å; I101-E151 HydrophobicContact CG2-CB 3.9Å; I101-E151 HydrophobicContact CG2-CG 3.98Å; I101-N152 WeakPolarHBondContact CA-O 3.41Å; I101-F153 HydrophobicContact CD1-CD1 3.98Å; I101-F153 HydrophobicContact CD1-CE1 3.47Å; I101-F153 VanDerWaalsContact CD1-CE1 3.47Å; I101-F153 HydrophobicContact CD1-CZ 4.24Å; I101-F153 HydrophobicContact CG1-CD1 3.78Å; I101-F153 HydrophobicContact CG1-CE1 3.78Å; I101-F153 HydrophobicContact CG2-CE1 4.41Å; I101-F153 HydrophobicContact CG2-CZ 4.45Å; I101-L181 WeakPolarHBondContact O-CA 3.41Å; I101-E182 HydrophobicContact CB-CB 4.27Å; I101-E182 PolarHBondContact N-O 2.9Å; I101-E182 PolarHBondContact O-N 2.96Å; I101-L184 HydrophobicContact CD1-CD1 3.45Å; I101-L184 VanDerWaalsContact CD1-CD1 3.45Å; I101-L184 HydrophobicContact CG1-CD1 3.79Å
102T95.2Very high86.2Confident0 Ų046.8 Ų46.80%025%0.246CC..EExtended strand (participates in β ladder)trans-115.9147.717365.60000111.1I100 F118 N145 N152 L179 K180 L181I100-T102 HydrophobicContact CG2-CG2 4.16Å; T102-F118 HydrophobicContact CG2-CD1 4.22Å; T102-F118 HydrophobicContact CG2-CE1 3.56Å; T102-F118 HydrophobicContact CG2-CZ 3.74Å; T102-N145 WeakPolarHBondContact CB-OD1 3.15Å; T102-N145 PolarHBondContact O-ND2 3.41Å; T102-N145 PolarHBondContact O-OD1 3.08Å; T102-N145 PolarHBondContact OG1-OD1 3.21Å; T102-N152 PolarHBondContact N-O 3.25Å; T102-N152 PolarHBondContact O-N 3.35Å; T102-N152 PolarHBondContact OG1-ND2 3.21Å; T102-L179 HydrophobicContact CG2-CD1 3.94Å; T102-K180 WeakPolarHBondContact CA-O 3.33Å; T102-L181 HydrophobicContact CG2-CD1 4.11Å
103K92.4Very high86.1Confident37 Ų3746.7 Ų46.716%0.16124%0.236CC..EExtended strand (participates in β ladder)trans-142.4152.3174.5-153.6174.5-170.61640111E61 N145 M149 E151 K180E61-K103 VanDerWaalsContact OE1-CD 3.24Å; E61-K103 WeakPolarHBondContact OE1-CD 3.49Å; E61-K103 WeakPolarHBondContact OE1-CE 3.2Å; E61-K103 IonicContact OE1-NZ 3.56Å; E61-K103 PolarHBondContact OE1-NZ 3.28Å; E61-K103 WeakPolarHBondContact OE2-CD 3.23Å; E61-K103 IonicContact OE2-NZ 2.71Å; K103-N145 WeakPolarHBondContact CA-ND2 3.11Å; K103-N145 PolarHBondContact N-OD1 3.24Å; K103-M149 WeakPolarHBondContact CE-O 3.3Å; K103-E151 HydrophobicContact CB-CG 4.39Å; K103-E151 HydrophobicContact CD-CG 3.61Å; K103-E151 HydrophobicContact CG-CG 4.04Å; K103-E151 IonicContact NZ-OE1 2.78Å; K103-E151 PolarHBondContact NZ-OE1 3.4Å; K103-K180 HydrophobicContact CB-CB 4.11Å; K103-K180 PolarHBondContact N-O 3.26Å; K103-K180 VanDerWaalsContact N-O 3.08Å; K103-K180 PolarHBondContact O-N 3.31Å
104G91.5Very high86.3Confident3 Ų345.1 Ų45.13%0.03123%0.234CC..  trans-80.8-171.2175.200000113.6Q113G104-Q113 CarbonylContact C-O 3.46Å; G104-Q113 VanDerWaalsContact CA-O 3.3Å; G104-Q113 WeakPolarHBondContact CA-O 3.44Å
105R89.6Confident86.4Confident16 Ų1645 Ų456%0.0623%0.233CC..EExtended strand (participates in β ladder)trans-115.5125173.6-163.9-176.776.493.78.6110.2H54 A72 Q113 C178H54-R105 PolarHBondContact NE2-NH1 3.41Å; A72-R105 HydrophobicContact CB-CB 3.75Å; A72-R105 HydrophobicContact CB-CG 3.7Å; R105-Q113 PolarHBondContact N-O 3.06Å; R105-Q113 PolarHBondContact O-N 3.14Å; R105-C178 HydrophobicContact CB-CB 3.65Å
106V85.2Confident86.5Confident55 Ų5546.7 Ų46.733%0.33325%0.245SC..EExtended strand (participates in β ladder)trans-105.4123.2168.5-177.90000107.8A148 M149V106-A148 HydrophobicContact CG2-CB 3.84Å; V106-A148 WeakPolarHBondContact CG2-O 3.35Å; V106-M149 HydrophobicContact CG1-CE 4.18Å; V106-M149 HydrophobicContact CG2-CE 4.2Å; V106-M149 HydrophobicContact CG2-CG 3.7Å
107A77.3Confident86.7Confident11 Ų1149.1 Ų49.19%0.09125%0.253CS..EExtended strand (participates in β ladder)trans-132.5127.6173.300000110.9S109 K110 G111A107-S109 PolarHBondContact O-N 2.81Å; A107-K110 HydrophobicContact CB-CB 4.24Å; A107-K110 PolarHBondContact O-N 3.16Å; A107-G111 PolarHBondContact N-O 2.8Å; A107-G111 PolarHBondContact O-N 3.01Å
108Q68.7Low86.9Confident177 Ų17749.1 Ų49.183%0.82725%0.253SS*.THydrogen-bonded Turntrans-51.2-35.9-170-53.6-175.837.400113.5E70E70-Q108 WeakPolarHBondContact OE1-CG 3.44Å; E70-Q108 PolarHBondContact OE1-NE2 2.87Å
109S63.3Low87.1Confident112 Ų11249.9 Ų49.978%0.78326%0.256SS*.THydrogen-bonded Turntrans-112.8-5.1-174.757.70000115.4A107A107-S109 PolarHBondContact O-N 2.81Å
110K63.4Low87.3Confident151 Ų15148.6 Ų48.666%0.65725%0.249SC*.THydrogen-bonded Turntrans-126.314.5-172.9-67.1-172.4179.2-179.50114.2A107A107-K110 HydrophobicContact CB-CB 4.24Å; A107-K110 PolarHBondContact O-N 3.16Å
111G70.5Confident87.4Confident44 Ų4451.5 Ų51.545%0.45426%0.261SS..EExtended strand (participates in β ladder)trans80.8-170175.200000114.4A107A107-G111 PolarHBondContact N-O 2.8Å; A107-G111 PolarHBondContact O-N 3.01Å
112R83.8Confident87.5Confident169 Ų16951.6 Ų51.664%0.63826%0.262SS*.EExtended strand (participates in β ladder)trans-104.4133.7177.3-64.9-179-174.2-170.7-0.2108.6A148R112-A148 HydrophobicContact CB-CB 3.78Å; R112-A148 HydrophobicContact CG-CB 4.23Å
113Q89.8Confident87.4Confident36 Ų3652.9 Ų52.917%0.16827%0.266CS..EExtended strand (participates in β ladder)trans-131.5136.5178.9-64.4176.3-90.100109.8G104 R105 K176 C178G104-Q113 CarbonylContact C-O 3.46Å; G104-Q113 VanDerWaalsContact CA-O 3.3Å; G104-Q113 WeakPolarHBondContact CA-O 3.44Å; R105-Q113 PolarHBondContact N-O 3.06Å; R105-Q113 PolarHBondContact O-N 3.14Å; Q113-K176 PolarHBondContact NE2-O 2.83Å; Q113-C178 HydrophobicContact CB-CB 3.93Å; Q113-C178 PolarHBondContact NE2-SG 2.68Å; Q113-C178 VanDerWaalsContact NE2-SG 3.41Å; Q113-C178 PolarHBondContact OE1-SG 2.77Å; Q113-C178 VanDerWaalsContact OE1-SG 3.35Å
114T92.6Very high87.5Confident38 Ų3851.6 Ų51.623%0.23326%0.261CS..  trans-128.9173-178.958.80000110.3N145 D147 A148 T177 C178T114-N145 WeakPolarHBondContact CB-O 3.34Å; T114-N145 HydrophobicContact CG2-CB 4.31Å; T114-D147 WeakPolarHBondContact CG2-O 3.36Å; T114-A148 HydrophobicContact CG2-CB 3.99Å; T114-T177 WeakPolarHBondContact O-CA 3.38Å; T114-T177 VanDerWaalsContact O-CB 3.25Å; T114-T177 WeakPolarHBondContact O-CB 3.44Å; T114-T177 WeakPolarHBondContact O-CG2 3.28Å; T114-C178 CarbonylContact C-O 3.55Å; T114-C178 PolarHBondContact O-N 2.66Å
115T94.9Very high87.5Confident1 Ų154.1 Ų54.11%0.00627%0.271CS..  trans-122106.5167.5-66.10000105.5Y117 F118 G144 N145 P169 C178T115-Y117 VanDerWaalsContact CG2-O 3.23Å; T115-Y117 WeakPolarHBondContact CG2-O 3.31Å; T115-F118 HydrophobicContact CG2-CB 4.49Å; T115-G144 CarbonylContact O-C 3.59Å; T115-G144 VanDerWaalsContact O-CA 3.3Å; T115-G144 WeakPolarHBondContact O-CA 3.18Å; T115-N145 PolarHBondContact O-N 3.29Å; T115-P169 HydrophobicContact CG2-CB 3.55Å; T115-C178 PolarHBondContact OG1-O 3.04Å
116P94.3Very high87.5Confident39 Ų3958.6 Ų58.625%0.25330%0.296SS..  trans-76.6-26.5-167.428.7-34.2000113.3G144P116-G144 WeakPolarHBondContact O-CA 3.03Å; P116-G144 PolarHBondContact O-N 3.45Å
117Y96.9Very high87.5Confident63 Ų6362.3 Ų62.325%0.24732%0.319CS..EExtended strand (participates in β ladder)trans-145.1162.2172.2-59.3-85000109.9T115 R141 L142 Y170T115-Y117 VanDerWaalsContact CG2-O 3.23Å; T115-Y117 WeakPolarHBondContact CG2-O 3.31Å; Y117-R141 HydrophobicContact CD1-CG 3.93Å; Y117-R141 HydrophobicContact CG-CG 4.11Å; Y117-L142 CarbonylContact C-O 3.59Å; Y117-L142 VanDerWaalsContact CA-O 3.24Å; Y117-L142 WeakPolarHBondContact CA-O 3.08Å; Y117-L142 WeakPolarHBondContact CB-O 3.37Å; Y117-Y170 HydrophobicContact CD2-CD1 4.32Å; Y117-Y170 HydrophobicContact CG-CD1 4.41Å; Y117-Y170 PolarHBondContact N-O 2.84Å; Y117-Y170 PolarHBondContact O-N 2.81Å; Y117-Y170 VanDerWaalsContact O-O 3.09Å
118F97.5Very high88Confident0 Ų063.2 Ų63.20%033%0.326CS..EExtended strand (participates in β ladder)trans-150.4164.8170.963.2-80.6000112I100 T102 T115 V120 L142 A143 N154 I167 Y168I100-F118 HydrophobicContact CG2-CE2 4.36Å; I100-F118 HydrophobicContact CG2-CZ 4.23Å; T102-F118 HydrophobicContact CG2-CD1 4.22Å; T102-F118 HydrophobicContact CG2-CE1 3.56Å; T102-F118 HydrophobicContact CG2-CZ 3.74Å; T115-F118 HydrophobicContact CG2-CB 4.49Å; F118-V120 HydrophobicContact CD2-CG2 3.81Å; F118-V120 HydrophobicContact CE2-CG2 3.65Å; F118-L142 HydrophobicContact CD1-CB 4.27Å; F118-L142 HydrophobicContact CD2-CB 4.27Å; F118-L142 HydrophobicContact CD2-CD1 4.33Å; F118-L142 HydrophobicContact CE1-CB 3.96Å; F118-L142 HydrophobicContact CE2-CB 3.99Å; F118-L142 HydrophobicContact CE2-CD1 3.62Å; F118-L142 HydrophobicContact CE2-CG 4.4Å; F118-L142 HydrophobicContact CG-CB 4.41Å; F118-L142 HydrophobicContact CZ-CB 3.82Å; F118-L142 HydrophobicContact CZ-CD1 3.9Å; F118-L142 PolarHBondContact N-O 3.31Å; F118-L142 PolarHBondContact O-N 3.01Å; F118-A143 WeakPolarHBondContact CE1-O 3.48Å; F118-N154 HydrophobicContact CZ-CB 4.42Å; F118-I167 HydrophobicContact CB-CG2 4.09Å; F118-I167 HydrophobicContact CD2-CG2 3.85Å; F118-I167 HydrophobicContact CG-CG2 4.2Å; F118-Y168 CarbonylContact C-O 3.52Å; F118-Y168 WeakPolarHBondContact CA-O 3.24Å; F118-Y168 WeakPolarHBondContact CB-O 3.22Å
119Y97.7Very high88.9Confident58 Ų5860 Ų6023%0.22732%0.319CS..EExtended strand (participates in β ladder)trans-118.2153.1168.4-67-104.8000109L83 K140 R141 Y168 Y170L83-Y119 HydrophobicContact CD1-CD2 4.23Å; L83-Y119 HydrophobicContact CD1-CE2 4.36Å; L83-Y119 HydrophobicContact CD1-CG 4.48Å; L83-Y119 HydrophobicContact CD2-CD2 3.59Å; L83-Y119 HydrophobicContact CD2-CE2 3.99Å; L83-Y119 HydrophobicContact CD2-CG 4.36Å; Y119-K140 HydrophobicContact CD1-CB 4.08Å; Y119-K140 VanDerWaalsContact CD1-O 3.28Å; Y119-K140 WeakPolarHBondContact CD1-O 3.42Å; Y119-K140 HydrophobicContact CE1-CB 3.89Å; Y119-R141 HydrophobicContact CE1-CB 4.01Å; Y119-R141 HydrophobicContact CE2-CB 4.12Å; Y119-R141 HydrophobicContact CE2-CG 3.93Å; Y119-Y168 PolarHBondContact N-O 3.17Å; Y119-Y168 PolarHBondContact O-N 2.98Å; Y119-Y170 HydrophobicContact CD2-CD2 4.41Å; Y119-Y170 HydrophobicContact CD2-CG 4.44Å; Y119-Y170 AromaticContact CE2-CD2 3.67Å; Y119-Y170 HydrophobicContact CE2-CD2 3.67Å; Y119-Y170 HydrophobicContact CE2-CE2 4.22Å; Y119-Y170 AromaticContact CE2-CG 3.83Å; Y119-Y170 HydrophobicContact CE2-CG 3.83Å
120V98Very high90.3Very high4 Ų457.7 Ų57.72%0.02429%0.293CS..EExtended strand (participates in β ladder)trans-118.4131.3178-177.50000108.8I100 F118 Y133 L142 F160 I165 R166 I167I100-V120 HydrophobicContact CD1-CG2 3.88Å; F118-V120 HydrophobicContact CD2-CG2 3.81Å; F118-V120 HydrophobicContact CE2-CG2 3.65Å; V120-Y133 HydrophobicContact CB-CG 4.5Å; V120-Y133 WeakPolarHBondContact O-CB 3.38Å; V120-Y133 PolarHBondContact O-N 2.85Å; V120-L142 HydrophobicContact CG2-CD1 3.9Å; V120-F160 HydrophobicContact CG1-CZ 4.03Å; V120-I165 HydrophobicContact CG1-CG2 4.03Å; V120-R166 WeakPolarHBondContact CA-O 3.31Å; V120-I167 HydrophobicContact CG1-CD1 4.33Å; V120-I167 HydrophobicContact CG2-CD1 3.89Å
121K97.3Very high91.8Very high60 Ų6051.6 Ų51.626%0.26127%0.267SS..EExtended strand (participates in β ladder)trans-118.1149.4162.9-58.1-169.9-175.3-108.70109W130 F131 D132 R166 Y168K121-W130 HydrophobicContact CB-CB 4.43Å; K121-W130 HydrophobicContact CB-CE3 3.94Å; K121-W130 HydrophobicContact CD-CB 4.48Å; K121-F131 CarbonylContact C-O 3.56Å; K121-F131 WeakPolarHBondContact CA-O 3.3Å; K121-D132 WeakPolarHBondContact CD-OD1 3.46Å; K121-D132 WeakPolarHBondContact CE-OD1 3.39Å; K121-D132 WeakPolarHBondContact CG-OD1 3.46Å; K121-D132 IonicContact NZ-OD1 3.59Å; K121-D132 PolarHBondContact NZ-OD1 3.34Å; K121-D132 IonicContact NZ-OD2 3.52Å; K121-R166 HydrophobicContact CB-CB 4.4Å; K121-R166 PolarHBondContact N-O 2.98Å; K121-R166 PolarHBondContact O-N 2.52Å; K121-Y168 HydrophobicContact CB-CE2 4.03Å; K121-Y168 HydrophobicContact CD-CD2 4.45Å; K121-Y168 HydrophobicContact CD-CE2 3.64Å; K121-Y168 HydrophobicContact CG-CD2 4.12Å; K121-Y168 HydrophobicContact CG-CE2 3.67Å
122Y96.9Very high92.9Very high10 Ų1053.1 Ų53.14%0.03927%0.265CS..EExtended strand (participates in β ladder)trans-143.6162.4178.165-85.5000112.5W130 F131 Y133 F160 A162 Y164 D230Y122-W130 VanDerWaalsContact C-CE3 3.48Å; Y122-W130 WeakPolarHBondContact O-CA 3.48Å; Y122-F131 HydrophobicContact CD1-CB 4.22Å; Y122-F131 HydrophobicContact CD2-CB 4.2Å; Y122-F131 HydrophobicContact CD2-CD2 4.29Å; Y122-F131 HydrophobicContact CE1-CB 3.79Å; Y122-F131 HydrophobicContact CE2-CB 3.77Å; Y122-F131 HydrophobicContact CE2-CD2 4.01Å; Y122-F131 HydrophobicContact CE2-CG 4.04Å; Y122-F131 HydrophobicContact CG-CB 4.41Å; Y122-F131 PolarHBondContact N-O 2.81Å; Y122-F131 PolarHBondContact O-N 2.92Å; Y122-Y133 HydrophobicContact CE1-CD2 4.27Å; Y122-F160 AromaticContact CD1-CD2 3.54Å; Y122-F160 HydrophobicContact CD1-CD2 3.54Å; Y122-F160 AromaticContact CD1-CE2 3.75Å; Y122-F160 HydrophobicContact CD1-CE2 3.75Å; Y122-F160 HydrophobicContact CD1-CG 4.16Å; Y122-F160 AromaticContact CD2-CD2 3.72Å; Y122-F160 HydrophobicContact CD2-CD2 3.72Å; Y122-F160 HydrophobicContact CD2-CE2 4.24Å; Y122-F160 HydrophobicContact CE1-CB 4.16Å; Y122-F160 AromaticContact CE1-CD2 3.83Å; Y122-F160 HydrophobicContact CE1-CD2 3.83Å; Y122-F160 HydrophobicContact CE1-CE2 4.46Å; Y122-F160 HydrophobicContact CE1-CG 4.07Å; Y122-F160 HydrophobicContact CE2-CB 4.37Å; Y122-F160 AromaticContact CE2-CD2 4Å; Y122-F160 HydrophobicContact CE2-CD2 4Å; Y122-F160 AromaticContact CG-CD2 3.47Å; Y122-F160 HydrophobicContact CG-CD2 3.47Å; Y122-F160 VanDerWaalsContact CG-CD2 3.47Å; Y122-F160 AromaticContact CG-CE2 3.62Å; Y122-F160 HydrophobicContact CG-CE2 3.62Å; Y122-F160 HydrophobicContact CG-CG 4.48Å; Y122-A162 HydrophobicContact CD2-CB 3.97Å; Y122-A162 HydrophobicContact CG-CB 4.17Å; Y122-Y164 CarbonylContact C-O 3.59Å; Y122-Y164 VanDerWaalsContact CA-O 3.28Å; Y122-Y164 WeakPolarHBondContact CA-O 3.21Å; Y122-D230 WeakPolarHBondContact CE2-OD2 3.32Å; Y122-D230 WeakPolarHBondContact OH-CB 3.41Å; Y122-D230 PolarHBondContact OH-OD2 3.03Å
123R94.9Very high93.5Very high27 Ų2745.4 Ų45.410%0.10224%0.236CC..EExtended strand (participates in β ladder)trans-150.2161.8170.561.5179.4174.3165.3-3.5110.6E88 E125 L126 T129 W130 R163 Y164E88-R123 IonicContact OE1-CZ 3.2Å; E88-R123 IonicContact OE1-NE 2.69Å; E88-R123 IonicContact OE1-NH2 3.99Å; E88-R123 PolarHBondContact OE1-NH2 3.06Å; R123-E125 WeakPolarHBondContact CD-O 3.42Å; R123-L126 PolarHBondContact NH1-O 3Å; R123-T129 WeakPolarHBondContact CB-O 3.28Å; R123-W130 HydrophobicContact CB-CD2 4.38Å; R123-W130 HydrophobicContact CB-CE3 4.29Å; R123-W130 HydrophobicContact CG-CD2 4.06Å; R123-W130 HydrophobicContact CG-CE3 3.99Å; R123-W130 HydrophobicContact CG-CH2 3.98Å; R123-W130 HydrophobicContact CG-CZ2 4.08Å; R123-W130 HydrophobicContact CG-CZ3 3.95Å; R123-W130 VanDerWaalsContact CZ-CZ2 3.46Å; R123-R163 PolarHBondContact O-N 2.64Å; R123-Y164 HydrophobicContact CG-CD2 3.96Å; R123-Y164 HydrophobicContact CG-CG 4.14Å; R123-Y164 PolarHBondContact N-O 3.35Å; R123-Y164 PolarHBondContact O-N 3.08Å
124R94.5Very high93.6Very high10 Ų1046.8 Ų46.84%0.03824%0.242CC..SBendtrans-101.8-41.7-175.5-57.2-172-95.6-865111.9Q94 F131 V161 R163 L192 D230Q94-R124 PolarHBondContact OE1-O 2.73Å; R124-F131 VanDerWaalsContact NH2-CZ 3.29Å; R124-V161 WeakPolarHBondContact CD-O 3.35Å; R124-V161 VanDerWaalsContact CG-O 3.31Å; R124-V161 WeakPolarHBondContact CG-O 3.48Å; R124-V161 PolarHBondContact NH1-O 3.44Å; R124-R163 WeakPolarHBondContact O-CB 3.35Å; R124-L192 HydrophobicContact CB-CD2 3.6Å; R124-L192 WeakPolarHBondContact CD-O 3.37Å; R124-L192 PolarHBondContact NE-O 3.24Å; R124-D230 IonicContact CZ-OD1 2.74Å; R124-D230 IonicContact CZ-OD2 3.71Å; R124-D230 IonicContact NH1-OD1 2.74Å; R124-D230 IonicContact NH1-OD2 2.63Å; R124-D230 PolarHBondContact NH1-OD2 2.86Å; R124-D230 IonicContact NH2-OD1 3.71Å; R124-D230 PolarHBondContact NH2-OD1 3.33Å; R124-D230 IonicContact NH2-OD2 2.8Å; R124-D230 PolarHBondContact NH2-OD2 3.04Å
125E91.2Very high93.5Very high55 Ų5546.5 Ų46.526%0.25724%0.237SC..SBendtrans-111.2155175.6-65.7162.411000111.8R123 T127 A128 L192 R325R123-E125 WeakPolarHBondContact CD-O 3.42Å; E125-T127 VanDerWaalsContact C-N 3.27Å; E125-T127 PolarHBondContact O-N 2.86Å; E125-A128 HydrophobicContact CB-CB 3.99Å; E125-A128 PolarHBondContact O-N 2.91Å; E125-L192 VanDerWaalsContact CD-CD1 3.46Å; E125-L192 HydrophobicContact CG-CD1 3.76Å; E125-L192 HydrophobicContact CG-CD2 3.97Å; E125-L192 WeakPolarHBondContact OE1-CD1 3.41Å; E125-R325 VanDerWaalsContact CD-NH1 3.32Å; E125-R325 IonicContact OE1-CZ 2.82Å; E125-R325 IonicContact OE1-NH1 3.13Å; E125-R325 PolarHBondContact OE1-NH1 3.44Å; E125-R325 IonicContact OE1-NH2 2.66Å; E125-R325 IonicContact OE2-CZ 2.66Å; E125-R325 IonicContact OE2-NH1 2.71Å; E125-R325 PolarHBondContact OE2-NH1 3.08Å; E125-R325 IonicContact OE2-NH2 3.84Å; E125-R325 PolarHBondContact OE2-NH2 3.18Å
126L88.7Confident92.9Very high111 Ų11151.2 Ų51.258%0.58126%0.259SS*.THydrogen-bonded Turntrans-66.2-28.3177.9-175.663.5000113R123 Y164R123-L126 PolarHBondContact NH1-O 3Å; L126-Y164 HydrophobicContact CB-CE2 4.26Å; L126-Y164 HydrophobicContact CD1-CE1 4.19Å
127T85.8Confident92.4Very high133 Ų13355.1 Ų55.182%0.81628%0.278SS*.THydrogen-bonded Turntrans-90.7-11.1179.345.30000113.8E125E125-T127 VanDerWaalsContact C-N 3.27Å; E125-T127 PolarHBondContact O-N 2.86Å
128A86.5Confident91.9Very high29 Ų2953.9 Ų53.924%0.2429%0.285CS..SBendtrans-80160.4-176.800000113E125E125-A128 HydrophobicContact CB-CB 3.99Å; E125-A128 PolarHBondContact O-N 2.91Å
129T87.9Confident91.6Very high111 Ų11156.2 Ų56.268%0.68130%0.299SS*.PPolyproline II helixtrans-64.8159.9169.345.70000111.8R123R123-T129 WeakPolarHBondContact CB-O 3.28Å
130W93.3Very high91.4Very high62 Ų6257.4 Ų57.424%0.23531%0.305CS..PPolyproline II helixtrans-88.3127.6173.3-70.488.1000110.5E88 K121 Y122 R123 R166E88-W130 HydrophobicContact CG-CH2 4.05Å; E88-W130 WeakPolarHBondContact OE1-CH2 3.4Å; E88-W130 VanDerWaalsContact OE1-CZ2 3.31Å; E88-W130 WeakPolarHBondContact OE1-CZ2 3.41Å; K121-W130 HydrophobicContact CB-CB 4.43Å; K121-W130 HydrophobicContact CB-CE3 3.94Å; K121-W130 HydrophobicContact CD-CB 4.48Å; Y122-W130 VanDerWaalsContact C-CE3 3.48Å; Y122-W130 WeakPolarHBondContact O-CA 3.48Å; R123-W130 HydrophobicContact CB-CD2 4.38Å; R123-W130 HydrophobicContact CB-CE3 4.29Å; R123-W130 HydrophobicContact CG-CD2 4.06Å; R123-W130 HydrophobicContact CG-CE3 3.99Å; R123-W130 HydrophobicContact CG-CH2 3.98Å; R123-W130 HydrophobicContact CG-CZ2 4.08Å; R123-W130 HydrophobicContact CG-CZ3 3.95Å; R123-W130 VanDerWaalsContact CZ-CZ2 3.46Å; W130-R166 HydrophobicContact CE3-CG 4.42Å; W130-R166 HydrophobicContact CH2-CB 4.3Å; W130-R166 HydrophobicContact CH2-CG 3.51Å; W130-R166 HydrophobicContact CZ2-CG 4.05Å; W130-R166 VanDerWaalsContact CZ2-CZ 3.42Å; W130-R166 HydrophobicContact CZ3-CB 3.99Å; W130-R166 HydrophobicContact CZ3-CG 3.71Å
131F94.1Very high91.3Very high24 Ų2460.2 Ų60.211%0.10532%0.316CS..EExtended strand (participates in β ladder)trans-82.6138.3168.8-59.5-88.1000109.7K121 Y122 R124 D230K121-F131 CarbonylContact C-O 3.56Å; K121-F131 WeakPolarHBondContact CA-O 3.3Å; Y122-F131 HydrophobicContact CD1-CB 4.22Å; Y122-F131 HydrophobicContact CD2-CB 4.2Å; Y122-F131 HydrophobicContact CD2-CD2 4.29Å; Y122-F131 HydrophobicContact CE1-CB 3.79Å; Y122-F131 HydrophobicContact CE2-CB 3.77Å; Y122-F131 HydrophobicContact CE2-CD2 4.01Å; Y122-F131 HydrophobicContact CE2-CG 4.04Å; Y122-F131 HydrophobicContact CG-CB 4.41Å; Y122-F131 PolarHBondContact N-O 2.81Å; Y122-F131 PolarHBondContact O-N 2.92Å; R124-F131 VanDerWaalsContact NH2-CZ 3.29Å; F131-D230 HydrophobicContact CD1-CB 4.02Å
132D94.4Very high91.3Very high76 Ų7657.5 Ų57.541%0.40630%0.304SS..EExtended strand (participates in β ladder)trans-85.5125.8169.4-75.5-39.9000109.8K121K121-D132 WeakPolarHBondContact CD-OD1 3.46Å; K121-D132 WeakPolarHBondContact CE-OD1 3.39Å; K121-D132 WeakPolarHBondContact CG-OD1 3.46Å; K121-D132 IonicContact NZ-OD1 3.59Å; K121-D132 PolarHBondContact NZ-OD1 3.34Å; K121-D132 IonicContact NZ-OD2 3.52Å
133Y95.6Very high91.3Very high7 Ų758.2 Ų58.23%0.02731%0.312CS..PPolyproline II helixtrans-71.4135.2174.7-173.8-103.3000111.6V120 Y122 K135 L142 M156 D157 P158 F160V120-Y133 HydrophobicContact CB-CG 4.5Å; V120-Y133 WeakPolarHBondContact O-CB 3.38Å; V120-Y133 PolarHBondContact O-N 2.85Å; Y122-Y133 HydrophobicContact CE1-CD2 4.27Å; Y133-K135 HydrophobicContact CE1-CG 3.74Å; Y133-L142 HydrophobicContact CD1-CD1 4.29Å; Y133-L142 HydrophobicContact CE1-CD1 4.47Å; Y133-L142 HydrophobicContact CE1-CD2 4.47Å; Y133-M156 HydrophobicContact CD1-SD 4.15Å; Y133-M156 HydrophobicContact CE1-SD 3.63Å; Y133-M156 HydrophobicContact CE2-CB 4.49Å; Y133-M156 HydrophobicContact CE2-SD 4.21Å; Y133-M156 VanDerWaalsContact OH-CA 3.28Å; Y133-M156 WeakPolarHBondContact OH-CA 3.29Å; Y133-D157 PolarHBondContact OH-N 3.19Å; Y133-P158 WeakPolarHBondContact CE2-O 3.43Å; Y133-P158 PolarHBondContact OH-O 3.35Å; Y133-F160 HydrophobicContact CD2-CB 4.29Å; Y133-F160 AromaticContact CD2-CD1 3.53Å; Y133-F160 HydrophobicContact CD2-CD1 3.53Å; Y133-F160 HydrophobicContact CD2-CE1 4.06Å; Y133-F160 HydrophobicContact CD2-CG 4.03Å; Y133-F160 HydrophobicContact CE2-CB 4.27Å; Y133-F160 AromaticContact CE2-CD1 3.53Å; Y133-F160 HydrophobicContact CE2-CD1 3.53Å; Y133-F160 HydrophobicContact CE2-CE1 4.26Å; Y133-F160 HydrophobicContact CE2-CG 4.23Å; Y133-F160 HydrophobicContact CG-CD1 4.46Å
134E92.7Very high91.2Very high64 Ų6457.1 Ų57.130%0.29931%0.309SS..  trans-147.9121.1-175.1-179.4161.3-158.700107.6K140 K232E134-K140 HydrophobicContact CB-CG 4.09Å; E134-K140 HydrophobicContact CG-CG 4.07Å; E134-K140 WeakPolarHBondContact OE1-CE 3.48Å; E134-K140 IonicContact OE1-NZ 3.67Å; E134-K140 PolarHBondContact OE1-NZ 2.85Å; E134-K140 WeakPolarHBondContact OE2-CE 3.28Å; E134-K140 IonicContact OE2-NZ 3.14Å; E134-K140 PolarHBondContact OE2-NZ 3.4Å; E134-K232 IonicContact OE2-NZ 3.62Å; E134-K232 PolarHBondContact OE2-NZ 2.89Å
135K90Very high91.2Very high32 Ų3256.8 Ų56.814%0.13931%0.308CS..  trans-69161176.5-70.5-165.8165.4-162.50111.5Y133 N137 G138 T139 L142 T155 D157Y133-K135 HydrophobicContact CE1-CG 3.74Å; K135-N137 WeakPolarHBondContact CB-OD1 3.39Å; K135-N137 PolarHBondContact O-N 3.31Å; K135-G138 WeakPolarHBondContact O-CA 3.49Å; K135-G138 PolarHBondContact O-N 3.43Å; K135-T139 PolarHBondContact N-O 2.89Å; K135-L142 HydrophobicContact CD-CD2 4.27Å; K135-L142 HydrophobicContact CG-CD2 4.47Å; K135-T155 WeakPolarHBondContact CE-O 3.25Å; K135-T155 PolarHBondContact NZ-O 3.5Å; K135-D157 VanDerWaalsContact CA-O 3.22Å; K135-D157 WeakPolarHBondContact CA-O 3.31Å; K135-D157 WeakPolarHBondContact CB-O 3.47Å
136E82.4Confident91.1Very high100 Ų10063.6 Ų63.647%0.46734%0.34SS..THydrogen-bonded Turntrans-56.4-29.4178.4-173.7171-133.700112.7G138 D157 T227E136-G138 VanDerWaalsContact C-N 3.27Å; E136-G138 PolarHBondContact O-N 2.84Å; E136-D157 PolarHBondContact N-O 3.4Å; E136-T227 PolarHBondContact OE1-OG1 2.88Å
137N83.8Confident91.1Very high121 Ų12161 Ų6165%0.64733%0.327SS*.THydrogen-bonded Turntrans-81.18.2174.178.4-14.2000115.1K135 T139K135-N137 WeakPolarHBondContact CB-OD1 3.39Å; K135-N137 PolarHBondContact O-N 3.31Å; N137-T139 VanDerWaalsContact CG-OG1 3.26Å; N137-T139 PolarHBondContact ND2-OG1 2.85Å; N137-T139 WeakPolarHBondContact OD1-CB 3.48Å; N137-T139 PolarHBondContact OD1-N 3.33Å; N137-T139 PolarHBondContact OD1-OG1 3.47Å
138G86.5Confident91.2Very high38 Ų3854.9 Ų54.939%0.39229%0.289SS..  trans82.42.4-17700000115.6K135 E136 K140K135-G138 WeakPolarHBondContact O-CA 3.49Å; K135-G138 PolarHBondContact O-N 3.43Å; E136-G138 VanDerWaalsContact C-N 3.27Å; E136-G138 PolarHBondContact O-N 2.84Å; G138-K140 PolarHBondContact O-N 2.83Å
139T91.5Very high91.2Very high49 Ų4958.3 Ų58.330%0.30130%0.302SS..  trans-73.3114.9-177.3-56.30000111.7K135 N137 R141K135-T139 PolarHBondContact N-O 2.89Å; N137-T139 VanDerWaalsContact CG-OG1 3.26Å; N137-T139 PolarHBondContact ND2-OG1 2.85Å; N137-T139 WeakPolarHBondContact OD1-CB 3.48Å; N137-T139 PolarHBondContact OD1-N 3.33Å; N137-T139 PolarHBondContact OD1-OG1 3.47Å; T139-R141 WeakPolarHBondContact CG2-O 3.44Å
140K94.4Very high91.2Very high82 Ų8256.9 Ų56.936%0.35729%0.293SS..  trans-98.6-35.3173.4-68.6175170.1108.70113.8Y119 E134 G138 L142Y119-K140 HydrophobicContact CD1-CB 4.08Å; Y119-K140 VanDerWaalsContact CD1-O 3.28Å; Y119-K140 WeakPolarHBondContact CD1-O 3.42Å; Y119-K140 HydrophobicContact CE1-CB 3.89Å; E134-K140 HydrophobicContact CB-CG 4.09Å; E134-K140 HydrophobicContact CG-CG 4.07Å; E134-K140 WeakPolarHBondContact OE1-CE 3.48Å; E134-K140 IonicContact OE1-NZ 3.67Å; E134-K140 PolarHBondContact OE1-NZ 2.85Å; E134-K140 WeakPolarHBondContact OE2-CE 3.28Å; E134-K140 IonicContact OE2-NZ 3.14Å; E134-K140 PolarHBondContact OE2-NZ 3.4Å; G138-K140 PolarHBondContact O-N 2.83Å; K140-L142 PolarHBondContact O-N 3.48Å
141R95.9Very high91.2Very high64 Ų6456.9 Ų56.924%0.24230%0.296CS..SBendtrans-84.7103.4178.7-173-177.369.2-155.7-2.2108.9Y117 Y119 T139 D780Y117-R141 HydrophobicContact CD1-CG 3.93Å; Y117-R141 HydrophobicContact CG-CG 4.11Å; Y119-R141 HydrophobicContact CE1-CB 4.01Å; Y119-R141 HydrophobicContact CE2-CB 4.12Å; Y119-R141 HydrophobicContact CE2-CG 3.93Å; T139-R141 WeakPolarHBondContact CG2-O 3.44Å; R141-D780 IonicContact CZ-OD2 2.94Å; R141-D780 IonicContact NH1-OD2 3.75Å; R141-D780 IonicContact NH2-OD2 3.84Å; R141-D780 PolarHBondContact NH2-OD2 2.92Å
142L96.8Very high91.2Very high2 Ų257.7 Ų57.71%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-80.8144.4178.1-60.5-175.8000111Y117 F118 V120 Y133 K135 K140 M156Y117-L142 CarbonylContact C-O 3.59Å; Y117-L142 VanDerWaalsContact CA-O 3.24Å; Y117-L142 WeakPolarHBondContact CA-O 3.08Å; Y117-L142 WeakPolarHBondContact CB-O 3.37Å; F118-L142 HydrophobicContact CD1-CB 4.27Å; F118-L142 HydrophobicContact CD2-CB 4.27Å; F118-L142 HydrophobicContact CD2-CD1 4.33Å; F118-L142 HydrophobicContact CE1-CB 3.96Å; F118-L142 HydrophobicContact CE2-CB 3.99Å; F118-L142 HydrophobicContact CE2-CD1 3.62Å; F118-L142 HydrophobicContact CE2-CG 4.4Å; F118-L142 HydrophobicContact CG-CB 4.41Å; F118-L142 HydrophobicContact CZ-CB 3.82Å; F118-L142 HydrophobicContact CZ-CD1 3.9Å; F118-L142 PolarHBondContact N-O 3.31Å; F118-L142 PolarHBondContact O-N 3.01Å; V120-L142 HydrophobicContact CG2-CD1 3.9Å; Y133-L142 HydrophobicContact CD1-CD1 4.29Å; Y133-L142 HydrophobicContact CE1-CD1 4.47Å; Y133-L142 HydrophobicContact CE1-CD2 4.47Å; K135-L142 HydrophobicContact CD-CD2 4.27Å; K135-L142 HydrophobicContact CG-CD2 4.47Å; K140-L142 PolarHBondContact O-N 3.48Å; L142-M156 HydrophobicContact CD1-CE 3.82Å; L142-M156 HydrophobicContact CD1-SD 4.47Å
143A95.5Very high91.2Very high25 Ų2558.3 Ų58.321%0.20730%0.3CS..EExtended strand (participates in β ladder)trans-73.5131.8176.300000109.7F118 N152 N154F118-A143 WeakPolarHBondContact CE1-O 3.48Å; A143-N152 PolarHBondContact O-ND2 3.48Å; A143-N154 PolarHBondContact O-ND2 3.08Å
144G93.6Very high91.2Very high5 Ų558.7 Ų58.75%0.05230%0.303CS..  trans-101.9-149.2176.200000112.4T115 P116 N152T115-G144 CarbonylContact O-C 3.59Å; T115-G144 VanDerWaalsContact O-CA 3.3Å; T115-G144 WeakPolarHBondContact O-CA 3.18Å; P116-G144 WeakPolarHBondContact O-CA 3.03Å; P116-G144 PolarHBondContact O-N 3.45Å; G144-N152 VanDerWaalsContact O-CG 3.25Å; G144-N152 PolarHBondContact O-ND2 3.08Å
145N94.2Very high91.3Very high2 Ų259.5 Ų59.51%0.01131%0.312CS..  trans-89.7125.4-173.5-6489.2000112.5T102 K103 T114 T115 D147 T150 N152T102-N145 WeakPolarHBondContact CB-OD1 3.15Å; T102-N145 PolarHBondContact O-ND2 3.41Å; T102-N145 PolarHBondContact O-OD1 3.08Å; T102-N145 PolarHBondContact OG1-OD1 3.21Å; K103-N145 WeakPolarHBondContact CA-ND2 3.11Å; K103-N145 PolarHBondContact N-OD1 3.24Å; T114-N145 WeakPolarHBondContact CB-O 3.34Å; T114-N145 HydrophobicContact CG2-CB 4.31Å; T115-N145 PolarHBondContact O-N 3.29Å; N145-D147 WeakPolarHBondContact CB-O 3.39Å; N145-T150 PolarHBondContact ND2-O 3.03Å; N145-N152 WeakPolarHBondContact ND2-CB 3.1Å
146Q89.9Confident91.4Very high199 Ų19958.1 Ų58.193%0.9331%0.306SS*.SBendtrans-75.7-32.8172.6-60-176.510.700112.1
147D88.7Confident91.7Very high57 Ų5756.3 Ų56.331%0.30530%0.3SS..SBendtrans-132.4169.2173.683.176.9000111.9T114 N145 M149 T150T114-D147 WeakPolarHBondContact CG2-O 3.36Å; N145-D147 WeakPolarHBondContact CB-O 3.39Å; D147-M149 WeakPolarHBondContact OD1-CA 3.36Å; D147-M149 WeakPolarHBondContact OD1-CB 3.47Å; D147-M149 PolarHBondContact OD1-N 3.33Å; D147-T150 PolarHBondContact OD1-N 2.95Å; D147-T150 PolarHBondContact OD1-OG1 3.24Å; D147-T150 WeakPolarHBondContact OD2-CB 3.34Å; D147-T150 PolarHBondContact OD2-OG1 3.03Å
148A87.3Confident92Very high3 Ų351.2 Ų51.23%0.02527%0.273CS..SBendtrans-89.7-4-171.400000115.7V106 R112 T114V106-A148 HydrophobicContact CG2-CB 3.84Å; V106-A148 WeakPolarHBondContact CG2-O 3.35Å; R112-A148 HydrophobicContact CB-CB 3.78Å; R112-A148 HydrophobicContact CG-CB 4.23Å; T114-A148 HydrophobicContact CG2-CB 3.99Å
149M85.6Confident92.3Very high101 Ų10150.2 Ų50.250%0.49826%0.26SS..SBendtrans-105.6-38.7-178.4-69.9170.2163.200112K103 V106 D147K103-M149 WeakPolarHBondContact CE-O 3.3Å; V106-M149 HydrophobicContact CG1-CE 4.18Å; V106-M149 HydrophobicContact CG2-CE 4.2Å; V106-M149 HydrophobicContact CG2-CG 3.7Å; D147-M149 WeakPolarHBondContact OD1-CA 3.36Å; D147-M149 WeakPolarHBondContact OD1-CB 3.47Å; D147-M149 PolarHBondContact OD1-N 3.33Å
150T89.2Confident92.3Very high82 Ų8248.3 Ų48.350%0.50325%0.247SC..SBendtrans-76.7128-176.7-51.50000111.9N145 D147N145-T150 PolarHBondContact ND2-O 3.03Å; D147-T150 PolarHBondContact OD1-N 2.95Å; D147-T150 PolarHBondContact OD1-OG1 3.24Å; D147-T150 WeakPolarHBondContact OD2-CB 3.34Å; D147-T150 PolarHBondContact OD2-OG1 3.03Å
151E92.3Very high92.3Very high62 Ų6244.9 Ų44.929%0.2923%0.233SC..  trans-69.4134.6168.3-78.4160.9-131.700110.5I101 K103 F153I101-E151 HydrophobicContact CG2-CB 3.9Å; I101-E151 HydrophobicContact CG2-CG 3.98Å; K103-E151 HydrophobicContact CB-CG 4.39Å; K103-E151 HydrophobicContact CD-CG 3.61Å; K103-E151 HydrophobicContact CG-CG 4.04Å; K103-E151 IonicContact NZ-OE1 2.78Å; K103-E151 PolarHBondContact NZ-OE1 3.4Å; E151-F153 HydrophobicContact CB-CD2 4.49Å; E151-F153 HydrophobicContact CB-CE2 3.63Å; E151-F153 HydrophobicContact CB-CZ 3.95Å; E151-F153 WeakPolarHBondContact O-CD2 3.23Å; E151-F153 WeakPolarHBondContact O-CE2 3.21Å
152N94.9Very high92.2Very high40 Ų4041.8 Ų41.821%0.21422%0.222CC..EExtended strand (participates in β ladder)trans-115.6129.7-179.417169.4000110.1I101 T102 A143 G144 N145 N154I101-N152 WeakPolarHBondContact CA-O 3.41Å; T102-N152 PolarHBondContact N-O 3.25Å; T102-N152 PolarHBondContact O-N 3.35Å; T102-N152 PolarHBondContact OG1-ND2 3.21Å; A143-N152 PolarHBondContact O-ND2 3.48Å; G144-N152 VanDerWaalsContact O-CG 3.25Å; G144-N152 PolarHBondContact O-ND2 3.08Å; N145-N152 WeakPolarHBondContact ND2-CB 3.1Å; N152-N154 PolarHBondContact ND2-ND2 2.81Å; N152-N154 VanDerWaalsContact ND2-ND2 3.12Å
153F94.7Very high92.2Very high90 Ų9045.3 Ų45.340%0.39524%0.235SC..EExtended strand (participates in β ladder)trans-110.7111-165.2-66.9-99.7000110.4L99 I101 E151 Q784L99-F153 HydrophobicContact CD1-CB 4.1Å; L99-F153 HydrophobicContact CD1-CD1 4.27Å; L99-F153 HydrophobicContact CD2-CD1 4.31Å; I101-F153 HydrophobicContact CD1-CD1 3.98Å; I101-F153 HydrophobicContact CD1-CE1 3.47Å; I101-F153 VanDerWaalsContact CD1-CE1 3.47Å; I101-F153 HydrophobicContact CD1-CZ 4.24Å; I101-F153 HydrophobicContact CG1-CD1 3.78Å; I101-F153 HydrophobicContact CG1-CE1 3.78Å; I101-F153 HydrophobicContact CG2-CE1 4.41Å; I101-F153 HydrophobicContact CG2-CZ 4.45Å; E151-F153 HydrophobicContact CB-CD2 4.49Å; E151-F153 HydrophobicContact CB-CE2 3.63Å; E151-F153 HydrophobicContact CB-CZ 3.95Å; E151-F153 WeakPolarHBondContact O-CD2 3.23Å; E151-F153 WeakPolarHBondContact O-CE2 3.21Å; F153-Q784 PolarHBondContact O-NE2 3Å
154N95.4Very high92.2Very high14 Ų1444.8 Ų44.88%0.07523%0.228CC..EExtended strand (participates in β ladder)trans-104.599.7172.4-76.5-89.3000110L99 I100 F118 A143 N152 M156L99-N154 WeakPolarHBondContact CA-O 3.49Å; L99-N154 VanDerWaalsContact CD1-C 3.45Å; L99-N154 WeakPolarHBondContact CD1-O 3.37Å; I100-N154 PolarHBondContact N-O 3.35Å; I100-N154 PolarHBondContact O-N 3.16Å; F118-N154 HydrophobicContact CZ-CB 4.42Å; A143-N154 PolarHBondContact O-ND2 3.08Å; N152-N154 PolarHBondContact ND2-ND2 2.81Å; N152-N154 VanDerWaalsContact ND2-ND2 3.12Å; N154-M156 HydrophobicContact CB-CE 3.59Å; N154-M156 WeakPolarHBondContact O-CE 3.47Å; N154-M156 PolarHBondContact O-N 3.45Å
155T93.8Very high92.4Very high82 Ų8244.6 Ų44.650%0.50323%0.225SC..EExtended strand (participates in β ladder)trans-59132.8163.8-48.10000109.1K135K135-T155 WeakPolarHBondContact CE-O 3.25Å; K135-T155 PolarHBondContact NZ-O 3.5Å
156M92.8Very high92.5Very high3 Ų346.7 Ų46.72%0.01523%0.233CC..EExtended strand (participates in β ladder)trans-85.8117.9169.8-59.3-62.7107.200107.6I97 K98 I100 Y133 L142 N154 P158 F160I97-M156 HydrophobicContact CG2-CG 4.27Å; K98-M156 PolarHBondContact O-N 3.1Å; I100-M156 HydrophobicContact CB-CE 3.99Å; I100-M156 HydrophobicContact CD1-CE 3.77Å; I100-M156 HydrophobicContact CD1-SD 3.79Å; I100-M156 HydrophobicContact CG1-CE 3.72Å; I100-M156 HydrophobicContact CG1-CG 4.29Å; I100-M156 HydrophobicContact CG1-SD 4.06Å; Y133-M156 HydrophobicContact CD1-SD 4.15Å; Y133-M156 HydrophobicContact CE1-SD 3.63Å; Y133-M156 HydrophobicContact CE2-CB 4.49Å; Y133-M156 HydrophobicContact CE2-SD 4.21Å; Y133-M156 VanDerWaalsContact OH-CA 3.28Å; Y133-M156 WeakPolarHBondContact OH-CA 3.29Å; L142-M156 HydrophobicContact CD1-CE 3.82Å; L142-M156 HydrophobicContact CD1-SD 4.47Å; N154-M156 HydrophobicContact CB-CE 3.59Å; N154-M156 WeakPolarHBondContact O-CE 3.47Å; N154-M156 PolarHBondContact O-N 3.45Å; M156-P158 VanDerWaalsContact C-C 3.42Å; M156-P158 CarbonylContact C-O 3.59Å; M156-P158 CarbonylContact O-C 3.5Å; M156-F160 HydrophobicContact CB-CD1 4.27Å; M156-F160 HydrophobicContact CG-CD1 4.03Å; M156-F160 HydrophobicContact CG-CE1 3.76Å; M156-F160 HydrophobicContact SD-CD1 4.16Å; M156-F160 HydrophobicContact SD-CE1 3.66Å
157D89.6Confident92.9Very high62 Ų6237.3 Ų37.333%0.33219%0.189SC..EExtended strand (participates in β ladder)trans-140.395.3-178.3-170.511.4000108.8Y133 K135 E136Y133-D157 PolarHBondContact OH-N 3.19Å; K135-D157 VanDerWaalsContact CA-O 3.22Å; K135-D157 WeakPolarHBondContact CA-O 3.31Å; K135-D157 WeakPolarHBondContact CB-O 3.47Å; E136-D157 PolarHBondContact N-O 3.4Å
158P90Very high93.3Very high14 Ų1435.7 Ų35.79%0.09118%0.179CC..EExtended strand (participates in β ladder)cis-70.5157.96.432.1-38.6000113.6Y133 M156 T228Y133-P158 WeakPolarHBondContact CE2-O 3.43Å; Y133-P158 PolarHBondContact OH-O 3.35Å; M156-P158 VanDerWaalsContact C-C 3.42Å; M156-P158 CarbonylContact C-O 3.59Å; M156-P158 CarbonylContact O-C 3.5Å; P158-T228 HydrophobicContact CB-CG2 3.78Å; P158-T228 HydrophobicContact CG-CG2 3.78Å
159P91.9Very high93.8Very high17 Ų1735.6 Ų35.611%0.1118%0.178CC..EExtended strand (participates in β ladder)trans-55.9152.4157.4-23.235.2000111.2I96 I97 K98I96-P159 HydrophobicContact CG2-CB 4.12Å; I97-P159 WeakPolarHBondContact O-CA 3.24Å; K98-P159 HydrophobicContact CD-CG 4.3Å; K98-P159 HydrophobicContact CG-CB 4.17Å; K98-P159 HydrophobicContact CG-CG 4.3Å
160F92.5Very high94.3Very high8 Ų832 Ų324%0.03516%0.159CC..EExtended strand (participates in β ladder)trans-132153.6178.271.7-88.9000112.7I97 V120 Y122 Y133 M156 A162 I165I97-F160 HydrophobicContact CB-CD1 4.16Å; I97-F160 HydrophobicContact CB-CD2 4.48Å; I97-F160 HydrophobicContact CB-CE1 3.8Å; I97-F160 HydrophobicContact CB-CE2 4.14Å; I97-F160 HydrophobicContact CB-CG 4.5Å; I97-F160 HydrophobicContact CB-CZ 3.78Å; I97-F160 HydrophobicContact CG1-CD2 4.31Å; I97-F160 HydrophobicContact CG1-CE1 4.36Å; I97-F160 HydrophobicContact CG1-CE2 3.81Å; I97-F160 HydrophobicContact CG1-CZ 3.84Å; I97-F160 HydrophobicContact CG2-CE1 3.86Å; I97-F160 HydrophobicContact CG2-CZ 3.9Å; I97-F160 PolarHBondContact N-O 3.47Å; I97-F160 PolarHBondContact O-N 3.42Å; V120-F160 HydrophobicContact CG1-CZ 4.03Å; Y122-F160 AromaticContact CD1-CD2 3.54Å; Y122-F160 HydrophobicContact CD1-CD2 3.54Å; Y122-F160 AromaticContact CD1-CE2 3.75Å; Y122-F160 HydrophobicContact CD1-CE2 3.75Å; Y122-F160 HydrophobicContact CD1-CG 4.16Å; Y122-F160 AromaticContact CD2-CD2 3.72Å; Y122-F160 HydrophobicContact CD2-CD2 3.72Å; Y122-F160 HydrophobicContact CD2-CE2 4.24Å; Y122-F160 HydrophobicContact CE1-CB 4.16Å; Y122-F160 AromaticContact CE1-CD2 3.83Å; Y122-F160 HydrophobicContact CE1-CD2 3.83Å; Y122-F160 HydrophobicContact CE1-CE2 4.46Å; Y122-F160 HydrophobicContact CE1-CG 4.07Å; Y122-F160 HydrophobicContact CE2-CB 4.37Å; Y122-F160 AromaticContact CE2-CD2 4Å; Y122-F160 HydrophobicContact CE2-CD2 4Å; Y122-F160 AromaticContact CG-CD2 3.47Å; Y122-F160 HydrophobicContact CG-CD2 3.47Å; Y122-F160 VanDerWaalsContact CG-CD2 3.47Å; Y122-F160 AromaticContact CG-CE2 3.62Å; Y122-F160 HydrophobicContact CG-CE2 3.62Å; Y122-F160 HydrophobicContact CG-CG 4.48Å; Y133-F160 HydrophobicContact CD2-CB 4.29Å; Y133-F160 AromaticContact CD2-CD1 3.53Å; Y133-F160 HydrophobicContact CD2-CD1 3.53Å; Y133-F160 HydrophobicContact CD2-CE1 4.06Å; Y133-F160 HydrophobicContact CD2-CG 4.03Å; Y133-F160 HydrophobicContact CE2-CB 4.27Å; Y133-F160 AromaticContact CE2-CD1 3.53Å; Y133-F160 HydrophobicContact CE2-CD1 3.53Å; Y133-F160 HydrophobicContact CE2-CE1 4.26Å; Y133-F160 HydrophobicContact CE2-CG 4.23Å; Y133-F160 HydrophobicContact CG-CD1 4.46Å; M156-F160 HydrophobicContact CB-CD1 4.27Å; M156-F160 HydrophobicContact CG-CD1 4.03Å; M156-F160 HydrophobicContact CG-CE1 3.76Å; M156-F160 HydrophobicContact SD-CD1 4.16Å; M156-F160 HydrophobicContact SD-CE1 3.66Å; F160-A162 HydrophobicContact CD2-CB 3.83Å; F160-A162 HydrophobicContact CE2-CB 3.63Å; F160-I165 HydrophobicContact CE2-CD1 4.27Å; F160-I165 HydrophobicContact CE2-CG1 4.3Å; F160-I165 HydrophobicContact CZ-CD1 4.36Å
161V93.8Very high94.6Very high10 Ų1028.5 Ų28.56%0.06114%0.138CC..EExtended strand (participates in β ladder)trans-108.6108.5-170.5175.30000108.7Q94 S95 I96 R124 A188 L260Q94-V161 HydrophobicContact CG-CG1 4.11Å; Q94-V161 PolarHBondContact NE2-O 3.24Å; S95-V161 WeakPolarHBondContact O-CA 3.45Å; I96-V161 HydrophobicContact CG1-CG2 4.31Å; R124-V161 WeakPolarHBondContact CD-O 3.35Å; R124-V161 VanDerWaalsContact CG-O 3.31Å; R124-V161 WeakPolarHBondContact CG-O 3.48Å; R124-V161 PolarHBondContact NH1-O 3.44Å; V161-A188 HydrophobicContact CG1-CB 3.71Å; V161-L260 HydrophobicContact CB-CD1 3.76Å; V161-L260 HydrophobicContact CG1-CD1 3.62Å; V161-L260 HydrophobicContact CG2-CD1 4.35Å
162A94.6Very high94.6Very high0 Ų028.4 Ų28.40%014%0.139CC..EExtended strand (participates in β ladder)trans-137.5152.2-172.200000114Q94 S95 I97 Y122 F160 I165Q94-A162 VanDerWaalsContact NE2-C 3.27Å; Q94-A162 VanDerWaalsContact NE2-CA 3.29Å; S95-A162 PolarHBondContact N-O 3.3Å; S95-A162 PolarHBondContact O-N 3.47Å; S95-A162 VanDerWaalsContact O-O 3.13Å; I97-A162 HydrophobicContact CG1-CB 4.5Å; Y122-A162 HydrophobicContact CD2-CB 3.97Å; Y122-A162 HydrophobicContact CG-CB 4.17Å; F160-A162 HydrophobicContact CD2-CB 3.83Å; F160-A162 HydrophobicContact CE2-CB 3.63Å; A162-I165 HydrophobicContact CB-CD1 4.17Å; A162-I165 HydrophobicContact CB-CG1 3.79Å
163R94.9Very high94.5Very high76 Ų7633.1 Ų33.129%0.28716%0.16SC..EExtended strand (participates in β ladder)trans-109.6-44.3162.4173.8176.5167.9175.6-4110.9D90 L91 R123 R124D90-R163 VanDerWaalsContact OD1-CG 3.25Å; D90-R163 WeakPolarHBondContact OD1-CG 3.43Å; D90-R163 IonicContact OD1-CZ 3.69Å; D90-R163 IonicContact OD1-NE 2.75Å; D90-R163 PolarHBondContact OD1-NE 3.41Å; D90-R163 IonicContact OD1-NH2 2.76Å; D90-R163 PolarHBondContact OD1-NH2 2.82Å; D90-R163 IonicContact OD2-CZ 2.62Å; D90-R163 IonicContact OD2-NE 3.44Å; D90-R163 PolarHBondContact OD2-NE 3.35Å; D90-R163 IonicContact OD2-NH2 3.84Å; D90-R163 PolarHBondContact OD2-NH2 3.25Å; L91-R163 WeakPolarHBondContact CB-O 3.33Å; L91-R163 WeakPolarHBondContact CG-O 3.27Å; L91-R163 PolarHBondContact N-O 2.99Å; R123-R163 PolarHBondContact O-N 2.64Å; R124-R163 WeakPolarHBondContact O-CB 3.35Å
164Y96.3Very high94.4Very high14 Ų1432.8 Ų32.86%0.05517%0.167CC..EExtended strand (participates in β ladder)trans-106.6132.3176.3-53.8-94.7000110I89 D90 Y122 R123 L126I89-Y164 VanDerWaalsContact O-CA 3.3Å; I89-Y164 WeakPolarHBondContact O-CA 3.46Å; D90-Y164 HydrophobicContact CB-CD1 3.71Å; D90-Y164 HydrophobicContact CB-CE1 3.59Å; D90-Y164 WeakPolarHBondContact OD2-CE1 3.47Å; D90-Y164 PolarHBondContact OD2-OH 3.15Å; Y122-Y164 CarbonylContact C-O 3.59Å; Y122-Y164 VanDerWaalsContact CA-O 3.28Å; Y122-Y164 WeakPolarHBondContact CA-O 3.21Å; R123-Y164 HydrophobicContact CG-CD2 3.96Å; R123-Y164 HydrophobicContact CG-CG 4.14Å; R123-Y164 PolarHBondContact N-O 3.35Å; R123-Y164 PolarHBondContact O-N 3.08Å; L126-Y164 HydrophobicContact CB-CE2 4.26Å; L126-Y164 HydrophobicContact CD1-CE1 4.19Å
165I97.6Very high94.2Very high0 Ų034.7 Ų34.70%018%0.179CC..EExtended strand (participates in β ladder)trans-128.9136.1-178.5-60.4171.1000109.1E88 I89 L91 I97 V120 F160 A162 I167 L183E88-I165 CarbonylContact C-O 3.59Å; E88-I165 VanDerWaalsContact CA-O 3.29Å; E88-I165 WeakPolarHBondContact CA-O 3.37Å; I89-I165 PolarHBondContact N-O 3.02Å; I89-I165 PolarHBondContact O-N 3.34Å; L91-I165 HydrophobicContact CD1-CD1 3.91Å; I97-I165 HydrophobicContact CD1-CD1 3.81Å; I97-I165 HydrophobicContact CG1-CD1 3.78Å; V120-I165 HydrophobicContact CG1-CG2 4.03Å; F160-I165 HydrophobicContact CE2-CD1 4.27Å; F160-I165 HydrophobicContact CE2-CG1 4.3Å; F160-I165 HydrophobicContact CZ-CD1 4.36Å; A162-I165 HydrophobicContact CB-CD1 4.17Å; A162-I165 HydrophobicContact CB-CG1 3.79Å; I165-I167 HydrophobicContact CG2-CD1 3.98Å; I165-L183 HydrophobicContact CD1-CD1 3.76Å
166R97.5Very high94.2Very high47 Ų4734.9 Ų34.918%0.17717%0.173CC..EExtended strand (participates in β ladder)trans-116.2127.6171.1-82.2176.9-176.8178.23.7111.2F86 M87 E88 V120 K121 W130 Y168F86-R166 HydrophobicContact CD2-CG 3.84Å; F86-R166 HydrophobicContact CE2-CG 4.39Å; M87-R166 CarbonylContact O-C 3.53Å; M87-R166 VanDerWaalsContact O-CA 3.24Å; M87-R166 WeakPolarHBondContact O-CA 3.49Å; E88-R166 HydrophobicContact CB-CG 3.75Å; E88-R166 HydrophobicContact CG-CG 4.01Å; E88-R166 IonicContact OE2-CZ 3.78Å; E88-R166 IonicContact OE2-NE 2.95Å; E88-R166 PolarHBondContact OE2-NE 2.96Å; E88-R166 IonicContact OE2-NH2 2.79Å; E88-R166 PolarHBondContact OE2-NH2 2.88Å; V120-R166 WeakPolarHBondContact CA-O 3.31Å; K121-R166 HydrophobicContact CB-CB 4.4Å; K121-R166 PolarHBondContact N-O 2.98Å; K121-R166 PolarHBondContact O-N 2.52Å; W130-R166 HydrophobicContact CE3-CG 4.42Å; W130-R166 HydrophobicContact CH2-CB 4.3Å; W130-R166 HydrophobicContact CH2-CG 3.51Å; W130-R166 HydrophobicContact CZ2-CG 4.05Å; W130-R166 VanDerWaalsContact CZ2-CZ 3.42Å; W130-R166 HydrophobicContact CZ3-CB 3.99Å; W130-R166 HydrophobicContact CZ3-CG 3.71Å; R166-Y168 HydrophobicContact CB-CD2 4.13Å; R166-Y168 HydrophobicContact CB-CE2 3.56Å; R166-Y168 WeakPolarHBondContact CD-OH 3.49Å; R166-Y168 HydrophobicContact CG-CE2 4.4Å
167I97.8Very high94.1Very high1 Ų134.9 Ų34.91%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-103.1119.7170.8-50.2-58.7000109.1F86 M87 I100 F118 V120 I165 L179 L181F86-I167 VanDerWaalsContact CA-O 3.29Å; F86-I167 WeakPolarHBondContact CA-O 3.42Å; M87-I167 PolarHBondContact N-O 2.87Å; M87-I167 VanDerWaalsContact N-O 3.08Å; M87-I167 PolarHBondContact O-N 2.98Å; I100-I167 HydrophobicContact CD1-CD1 4.47Å; F118-I167 HydrophobicContact CB-CG2 4.09Å; F118-I167 HydrophobicContact CD2-CG2 3.85Å; F118-I167 HydrophobicContact CG-CG2 4.2Å; V120-I167 HydrophobicContact CG1-CD1 4.33Å; V120-I167 HydrophobicContact CG2-CD1 3.89Å; I165-I167 HydrophobicContact CG2-CD1 3.98Å; I167-L179 HydrophobicContact CB-CD2 4.42Å; I167-L179 HydrophobicContact CG2-CD2 3.73Å; I167-L181 HydrophobicContact CD1-CD1 4.38Å; I167-L181 HydrophobicContact CD1-CD2 4.33Å; I167-L181 HydrophobicContact CG1-CD1 4.15Å; I167-L181 HydrophobicContact CG1-CD2 3.77Å
168Y97.7Very high94.4Very high23 Ų2331.9 Ų31.99%0.0916%0.157CC..EExtended strand (participates in β ladder)trans-104.9103.5176.9-70.6-97.4000109.3L83 E85 F86 F118 Y119 K121 R166L83-Y168 HydrophobicContact CB-CD1 4.31Å; L83-Y168 VanDerWaalsContact O-CD1 3.25Å; L83-Y168 WeakPolarHBondContact O-CD1 3.44Å; L83-Y168 WeakPolarHBondContact O-CE1 3.25Å; E85-Y168 WeakPolarHBondContact O-CD1 3.33Å; F86-Y168 HydrophobicContact CB-CD1 3.73Å; F86-Y168 HydrophobicContact CB-CD2 4.3Å; F86-Y168 HydrophobicContact CB-CE1 3.64Å; F86-Y168 HydrophobicContact CB-CE2 4.21Å; F86-Y168 HydrophobicContact CB-CG 4.07Å; F86-Y168 AromaticContact CD1-CE1 3.89Å; F86-Y168 HydrophobicContact CD1-CE1 3.89Å; F86-Y168 HydrophobicContact CG-CE1 4.05Å; F118-Y168 CarbonylContact C-O 3.52Å; F118-Y168 WeakPolarHBondContact CA-O 3.24Å; F118-Y168 WeakPolarHBondContact CB-O 3.22Å; Y119-Y168 PolarHBondContact N-O 3.17Å; Y119-Y168 PolarHBondContact O-N 2.98Å; K121-Y168 HydrophobicContact CB-CE2 4.03Å; K121-Y168 HydrophobicContact CD-CD2 4.45Å; K121-Y168 HydrophobicContact CD-CE2 3.64Å; K121-Y168 HydrophobicContact CG-CD2 4.12Å; K121-Y168 HydrophobicContact CG-CE2 3.67Å; R166-Y168 HydrophobicContact CB-CD2 4.13Å; R166-Y168 HydrophobicContact CB-CE2 3.56Å; R166-Y168 WeakPolarHBondContact CD-OH 3.49Å; R166-Y168 HydrophobicContact CG-CE2 4.4Å
169P97Very high94.5Very high1 Ų131.2 Ų31.21%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-62.4147.7173.628.9-37000110.9W73 P75 V79 E85 T115W73-P169 HydrophobicContact CH2-CG 3.91Å; W73-P169 HydrophobicContact CZ3-CG 4.02Å; P75-P169 HydrophobicContact CG-CG 4.47Å; V79-P169 HydrophobicContact CG1-CB 4.05Å; V79-P169 HydrophobicContact CG1-CG 4.16Å; V79-P169 WeakPolarHBondContact CG1-O 3.29Å; V79-P169 HydrophobicContact CG2-CB 4.37Å; V79-P169 HydrophobicContact CG2-CG 3.88Å; E85-P169 HydrophobicContact CB-CG 4.38Å; E85-P169 WeakPolarHBondContact O-CD 3.4Å; T115-P169 HydrophobicContact CG2-CB 3.55Å
170Y96.3Very high94.6Very high27 Ų2731 Ų3111%0.10615%0.15CC..EExtended strand (participates in β ladder)trans-138.7143.3179.5178.3-85.9000110.9K81 L83 Y117 Y119 L172K81-Y170 HydrophobicContact CB-CE2 3.83Å; K81-Y170 HydrophobicContact CG-CE2 4Å; L83-Y170 HydrophobicContact CD2-CD2 3.87Å; L83-Y170 HydrophobicContact CG-CD2 4.48Å; Y117-Y170 HydrophobicContact CD2-CD1 4.32Å; Y117-Y170 HydrophobicContact CG-CD1 4.41Å; Y117-Y170 PolarHBondContact N-O 2.84Å; Y117-Y170 PolarHBondContact O-N 2.81Å; Y117-Y170 VanDerWaalsContact O-O 3.09Å; Y119-Y170 HydrophobicContact CD2-CD2 4.41Å; Y119-Y170 HydrophobicContact CD2-CG 4.44Å; Y119-Y170 AromaticContact CE2-CD2 3.67Å; Y119-Y170 HydrophobicContact CE2-CD2 3.67Å; Y119-Y170 HydrophobicContact CE2-CE2 4.22Å; Y119-Y170 AromaticContact CE2-CG 3.83Å; Y119-Y170 HydrophobicContact CE2-CG 3.83Å; Y170-L172 HydrophobicContact CE1-CD2 3.94Å; Y170-L172 HydrophobicContact CE1-CG 4.39Å
171S94.8Very high94.6Very high8 Ų830.7 Ų30.76%0.05615%0.149CC..  trans-142.6143.4173.2-176.90000111.3G80 K81 E173 T175G80-S171 CarbonylContact C-O 3.6Å; G80-S171 WeakPolarHBondContact CA-O 3.25Å; G80-S171 PolarHBondContact O-N 3.02Å; K81-S171 WeakPolarHBondContact CG-O 3.24Å; S171-E173 WeakPolarHBondContact CB-O 3.3Å; S171-E173 PolarHBondContact O-N 2.88Å; S171-E173 PolarHBondContact OG-N 2.89Å; S171-E173 PolarHBondContact OG-O 3.28Å; S171-T175 PolarHBondContact OG-OG1 3.13Å
172L92.6Very high94.6Very high59 Ų5930.3 Ų30.331%0.30915%0.146SC..SBendtrans-67.6-26.6175-68.2174.1000112.3K81 Y170K81-L172 WeakPolarHBondContact CE-O 3.49Å; Y170-L172 HydrophobicContact CE1-CD2 3.94Å; Y170-L172 HydrophobicContact CE1-CG 4.39Å
173E92.4Very high94.7Very high139 Ų13930.3 Ų30.365%0.6515%0.146SC*.SBendtrans-123.9141.7175.9-64-177.6-177.300110.3S171 T175S171-E173 WeakPolarHBondContact CB-O 3.3Å; S171-E173 PolarHBondContact O-N 2.88Å; S171-E173 PolarHBondContact OG-N 2.89Å; S171-E173 PolarHBondContact OG-O 3.28Å; E173-T175 WeakPolarHBondContact O-CG2 3.43Å; E173-T175 PolarHBondContact O-N 2.89Å
174P92.9Very high94.6Very high84 Ų8427.9 Ų27.955%0.54514%0.139SC..  trans-63.4102.2-179.3-26.236.6000114K78 V79K78-P174 HydrophobicContact CB-CB 4.2Å; K78-P174 HydrophobicContact CD-CB 4.39Å; K78-P174 WeakPolarHBondContact CD-O 3.3Å; V79-P174 WeakPolarHBondContact O-CA 3.48Å
175T92.2Very high94.4Very high53 Ų5327.2 Ų27.233%0.32514%0.136SC..BIsolated β-bridgetrans-121.1165.3-174.456.10000112.9K78 V79 S171 E173 T177K78-T175 CarbonylContact C-O 3.41Å; K78-T175 VanDerWaalsContact CA-O 3.27Å; K78-T175 WeakPolarHBondContact CA-O 3.08Å; V79-T175 PolarHBondContact N-O 2.86Å; V79-T175 PolarHBondContact O-N 2.94Å; S171-T175 PolarHBondContact OG-OG1 3.13Å; E173-T175 WeakPolarHBondContact O-CG2 3.43Å; E173-T175 PolarHBondContact O-N 2.89Å; T175-T177 PolarHBondContact O-N 2.82Å
176K92.3Very high94Very high86 Ų8628.5 Ų28.537%0.37415%0.145SC..  trans-92.186.1174.5-88.8-69-174.2179.70110P75 D76 A77 K78 Q113P75-K176 PolarHBondContact O-NZ 2.92Å; P75-K176 VanDerWaalsContact O-NZ 3.15Å; D76-K176 PolarHBondContact O-NZ 3.44Å; A77-K176 WeakPolarHBondContact O-CE 3.06Å; A77-K176 PolarHBondContact O-NZ 3.01Å; K78-K176 HydrophobicContact CG-CG 4.16Å; Q113-K176 PolarHBondContact NE2-O 2.83Å
177T92.6Very high93.6Very high3 Ų330.7 Ų30.72%0.01816%0.157CC..  trans-77157.3-179.358.60000112.7V79 T114 T175V79-T177 HydrophobicContact CB-CG2 4.08Å; V79-T177 VanDerWaalsContact CG2-OG1 3.31Å; V79-T177 WeakPolarHBondContact CG2-OG1 3.39Å; T114-T177 WeakPolarHBondContact O-CA 3.38Å; T114-T177 VanDerWaalsContact O-CB 3.25Å; T114-T177 WeakPolarHBondContact O-CB 3.44Å; T114-T177 WeakPolarHBondContact O-CG2 3.28Å; T175-T177 PolarHBondContact O-N 2.82Å
178C94Very high93.1Very high0 Ų031 Ų310%016%0.16CC..  trans-142.8158.1164-66.40000109.3A72 W73 C74 R105 Q113 T114 T115A72-C178 HydrophobicContact CB-CB 4.24Å; W73-C178 CarbonylContact O-C 3.5Å; W73-C178 VanDerWaalsContact O-CA 3.23Å; W73-C178 WeakPolarHBondContact O-CA 3.25Å; W73-C178 WeakPolarHBondContact O-CB 3.43Å; C74-C178 HydrophobicContact CB-CB 4.16Å; C74-C178 WeakPolarHBondContact CB-SG 3.35Å; C74-C178 WeakPolarHBondContact SG-CB 3.08Å; C74-C178 CovalentContact SG-SG 2.04Å; C74-C178 PolarHBondContact SG-SG 2.8Å; R105-C178 HydrophobicContact CB-CB 3.65Å; Q113-C178 HydrophobicContact CB-CB 3.93Å; Q113-C178 PolarHBondContact NE2-SG 2.68Å; Q113-C178 VanDerWaalsContact NE2-SG 3.41Å; Q113-C178 PolarHBondContact OE1-SG 2.77Å; Q113-C178 VanDerWaalsContact OE1-SG 3.35Å; T114-C178 CarbonylContact C-O 3.55Å; T114-C178 PolarHBondContact O-N 2.66Å; T115-C178 PolarHBondContact OG1-O 3.04Å
179L93.2Very high92.5Very high0 Ų033.1 Ų33.10%017%0.173CC..BIsolated β-bridgetrans-146.5133.9-174.1-174.967.5000112.1A59 W73 M87 T102 I167A59-L179 WeakPolarHBondContact CB-O 3.41Å; W73-L179 HydrophobicContact CE3-CB 4.24Å; W73-L179 HydrophobicContact CE3-CD2 4.38Å; W73-L179 HydrophobicContact CZ3-CD2 4.44Å; W73-L179 PolarHBondContact N-O 2.66Å; W73-L179 PolarHBondContact O-N 3.19Å; M87-L179 HydrophobicContact CE-CD2 4.41Å; T102-L179 HydrophobicContact CG2-CD1 3.94Å; I167-L179 HydrophobicContact CB-CD2 4.42Å; I167-L179 HydrophobicContact CG2-CD2 3.73Å
180K93.2Very high92.2Very high13 Ų1333.2 Ų33.26%0.05717%0.174CC..EExtended strand (participates in β ladder)trans-106.1155.1152.1-59.6-171.8-177.1-169.20110.2A59 E61 L68 Q69 R71 A72 T102 K103A59-K180 CarbonylContact O-C 3.58Å; A59-K180 WeakPolarHBondContact O-CA 3.48Å; A59-K180 VanDerWaalsContact O-CB 3.3Å; A59-K180 WeakPolarHBondContact O-CB 3.47Å; E61-K180 HydrophobicContact CB-CD 4.46Å; L68-K180 PolarHBondContact O-NZ 3.46Å; Q69-K180 PolarHBondContact O-NZ 2.81Å; R71-K180 WeakPolarHBondContact O-CE 3.41Å; A72-K180 HydrophobicContact CB-CG 4.01Å; T102-K180 WeakPolarHBondContact CA-O 3.33Å; K103-K180 HydrophobicContact CB-CB 4.11Å; K103-K180 PolarHBondContact N-O 3.26Å; K103-K180 VanDerWaalsContact N-O 3.08Å; K103-K180 PolarHBondContact O-N 3.31Å
181L93.6Very high92Very high0 Ų032.7 Ų32.70%017%0.173CC..EExtended strand (participates in β ladder)trans-140.8138.6-173.8-164.377000111L33 A59 M87 I89 I100 I101 T102 I167 L183L33-L181 HydrophobicContact CD1-CB 4.43Å; L33-L181 HydrophobicContact CD1-CD2 4.1Å; L33-L181 HydrophobicContact CD1-CG 4.32Å; A59-L181 PolarHBondContact O-N 3.23Å; M87-L181 HydrophobicContact CE-CB 4.11Å; M87-L181 HydrophobicContact CE-CD2 3.98Å; I89-L181 HydrophobicContact CD1-CD2 3.61Å; I100-L181 HydrophobicContact CG2-CD1 3.54Å; I101-L181 WeakPolarHBondContact O-CA 3.41Å; T102-L181 HydrophobicContact CG2-CD1 4.11Å; I167-L181 HydrophobicContact CD1-CD1 4.38Å; I167-L181 HydrophobicContact CD1-CD2 4.33Å; I167-L181 HydrophobicContact CG1-CD1 4.15Å; I167-L181 HydrophobicContact CG1-CD2 3.77Å; L181-L183 HydrophobicContact CD2-CD2 4.16Å; L181-L183 HydrophobicContact CD2-CG 4.36Å; L181-L183 HydrophobicContact CG-CD2 4.32Å
182E94Very high91.9Very high2 Ų232.4 Ų32.41%0.00917%0.171CC..EExtended strand (participates in β ladder)trans-133.2147.1161.6175.567.9-8600108.6R31 L33 I101 L184R31-E182 HydrophobicContact CB-CG 4.38Å; R31-E182 WeakPolarHBondContact CB-OE2 3.45Å; R31-E182 VanDerWaalsContact CD-OE2 3.27Å; R31-E182 WeakPolarHBondContact CD-OE2 3.4Å; R31-E182 HydrophobicContact CG-CG 3.86Å; R31-E182 WeakPolarHBondContact CG-OE2 3.35Å; R31-E182 IonicContact CZ-OE2 3.55Å; R31-E182 IonicContact NE-OE2 2.77Å; R31-E182 IonicContact NH1-OE2 3.47Å; R31-E182 PolarHBondContact NH1-OE2 3.35Å; L33-E182 WeakPolarHBondContact CA-OE1 3.36Å; L33-E182 WeakPolarHBondContact CB-OE1 3.45Å; L33-E182 PolarHBondContact N-OE1 3.24Å; I101-E182 HydrophobicContact CB-CB 4.27Å; I101-E182 PolarHBondContact N-O 2.9Å; I101-E182 PolarHBondContact O-N 2.96Å; E182-L184 HydrophobicContact CG-CD1 3.87Å
183L95.2Very high91.9Very high0 Ų030.8 Ų30.80%016%0.161CC..EExtended strand (participates in β ladder)trans-121.7129.4-178.8-59.4174.9000108.9L32 L33 L91 I97 I100 I165 L181L32-L183 HydrophobicContact CB-CB 4.26Å; L32-L183 HydrophobicContact CD1-CB 4.34Å; L32-L183 PolarHBondContact N-O 3.16Å; L33-L183 HydrophobicContact CD1-CD1 4.05Å; L33-L183 HydrophobicContact CD1-CG 3.88Å; L33-L183 HydrophobicContact CD2-CD1 4.09Å; L33-L183 HydrophobicContact CG-CB 4.29Å; L33-L183 HydrophobicContact CG-CD1 4.1Å; L33-L183 HydrophobicContact CG-CG 4.06Å; L91-L183 HydrophobicContact CD2-CD1 4.1Å; I97-L183 HydrophobicContact CG2-CD2 4.49Å; I100-L183 HydrophobicContact CB-CD2 4.34Å; I100-L183 HydrophobicContact CD1-CD2 4.22Å; I100-L183 HydrophobicContact CG1-CD2 3.72Å; I100-L183 HydrophobicContact CG2-CD2 4.15Å; I165-L183 HydrophobicContact CD1-CD1 3.76Å; L181-L183 HydrophobicContact CD2-CD2 4.16Å; L181-L183 HydrophobicContact CD2-CG 4.36Å; L181-L183 HydrophobicContact CG-CD2 4.32Å
184L93.6Very high92Very high25 Ų2524.1 Ų24.113%0.13113%0.13CC..EExtended strand (participates in β ladder)trans-112.6134178-7283.5000110.6N29 S30 R31 K98 L99 I101 E182N29-L184 WeakPolarHBondContact O-CD2 3.19Å; S30-L184 WeakPolarHBondContact O-CA 3.4Å; R31-L184 HydrophobicContact CG-CG 4.33Å; K98-L184 PolarHBondContact N-O 3.3Å; L99-L184 HydrophobicContact CB-CB 4.16Å; L99-L184 HydrophobicContact CD2-CB 4.46Å; L99-L184 HydrophobicContact CD2-CD1 4.39Å; L99-L184 HydrophobicContact CD2-CD2 4.2Å; L99-L184 HydrophobicContact CG-CB 4.46Å; L99-L184 HydrophobicContact CG-CD1 4.38Å; L99-L184 PolarHBondContact N-O 2.67Å; L99-L184 PolarHBondContact O-N 2.94Å; I101-L184 HydrophobicContact CD1-CD1 3.45Å; I101-L184 VanDerWaalsContact CD1-CD1 3.45Å; I101-L184 HydrophobicContact CG1-CD1 3.79Å; E182-L184 HydrophobicContact CG-CD1 3.87Å
185G92Very high92Very high0 Ų021.6 Ų21.60%011%0.111CC..EExtended strand (participates in β ladder)trans175.9-153-171.600000114.6C28 N29 S30 I96C28-G185 CarbonylContact C-O 3.1Å; C28-G185 WeakPolarHBondContact O-CA 3.38Å; C28-G185 VanDerWaalsContact SG-C 3.6Å; N29-G185 PolarHBondContact N-O 3.18Å; S30-G185 WeakPolarHBondContact CB-O 3.4Å; S30-G185 PolarHBondContact N-O 2.71Å; S30-G185 PolarHBondContact O-N 2.85Å; I96-G185 WeakPolarHBondContact O-CA 3.41Å
186C90.2Very high92Very high27 Ų2719.1 Ų19.118%0.18210%0.095CC..EExtended strand (participates in β ladder)trans-155.6178.6175.7590000111.4C28 S95 I96C28-C186 HydrophobicContact CB-CB 3.82Å; C28-C186 WeakPolarHBondContact CB-SG 3.35Å; C28-C186 WeakPolarHBondContact SG-CB 3.45Å; C28-C186 PolarHBondContact SG-N 2.91Å; C28-C186 CovalentContact SG-SG 2.04Å; C28-C186 PolarHBondContact SG-SG 3.42Å; S95-C186 CarbonylContact C-O 3.48Å; S95-C186 VanDerWaalsContact CA-O 3.29Å; S95-C186 WeakPolarHBondContact CA-O 3.49Å; S95-C186 WeakPolarHBondContact CB-O 3.36Å; I96-C186 PolarHBondContact N-O 2.84Å; I96-C186 PolarHBondContact O-N 2.84Å; I96-C186 VanDerWaalsContact O-N 3.15Å
187E87.9Confident91.8Very high93 Ų9315.9 Ų15.944%0.4358%0.084SC..EExtended strand (participates in β ladder)trans-71.3146.3174.8-176.5159.6-130.800111.5R93R93-E187 WeakPolarHBondContact CD-OE1 3.22Å; R93-E187 IonicContact CZ-OE1 2.69Å; R93-E187 IonicContact CZ-OE2 3.3Å; R93-E187 IonicContact NE-OE1 3.15Å; R93-E187 IonicContact NH1-OE1 2.74Å; R93-E187 PolarHBondContact NH1-OE1 3.22Å; R93-E187 IonicContact NH1-OE2 2.69Å; R93-E187 PolarHBondContact NH1-OE2 3.48Å
188A87.5Confident91.6Very high8 Ų818.2 Ų18.27%0.0669%0.094CC..  trans-108.525.1-173.200000114.1Q94 I96 V161 G190 I191Q94-A188 HydrophobicContact CG-CB 4.19Å; Q94-A188 WeakPolarHBondContact O-CB 3.29Å; Q94-A188 PolarHBondContact O-N 2.95Å; I96-A188 HydrophobicContact CD1-CB 4.49Å; I96-A188 HydrophobicContact CG1-CB 3.59Å; V161-A188 HydrophobicContact CG1-CB 3.71Å; A188-G190 PolarHBondContact O-N 3.3Å; A188-I191 PolarHBondContact O-N 3.43Å
189N84.9Confident91.2Very high68 Ų6818.7 Ų18.736%0.36410%0.099SC..THydrogen-bonded Turntrans50.923.5173.7-67.915.4000116.3I191 F326 F476 N478N189-I191 PolarHBondContact O-N 3.36Å; N189-F326 WeakPolarHBondContact O-CD1 3.48Å; N189-F326 WeakPolarHBondContact O-CE1 3.04Å; N189-F476 PolarHBondContact ND2-O 3.01Å; N189-N478 WeakPolarHBondContact CB-OD1 3.35Å; N189-N478 PolarHBondContact ND2-OD1 2.87Å; N189-N478 PolarHBondContact O-ND2 2.73Å
190G90.4Very high90.9Very high2 Ų220 Ų202%0.02111%0.11CC..THydrogen-bonded Turntrans79.16.5175.300000116.3A188 L192 F326 D327 Y330A188-G190 PolarHBondContact O-N 3.3Å; G190-L192 PolarHBondContact O-N 3.42Å; G190-F326 CarbonylContact O-C 3.59Å; G190-F326 VanDerWaalsContact O-CA 3.23Å; G190-F326 WeakPolarHBondContact O-CA 3.09Å; G190-D327 VanDerWaalsContact CA-OD1 3.31Å; G190-D327 WeakPolarHBondContact CA-OD1 3.45Å; G190-D327 PolarHBondContact O-N 3.39Å; G190-Y330 WeakPolarHBondContact CA-OH 3.45Å
191I92.6Very high90.4Very high16 Ų1624.4 Ų24.48%0.08213%0.134CC..EExtended strand (participates in β ladder)trans-71.3130.2-178.3-43.5176.5000110.3A188 N189 L260 T264 F324 F326 F476A188-I191 PolarHBondContact O-N 3.43Å; N189-I191 PolarHBondContact O-N 3.36Å; I191-L260 HydrophobicContact CG2-CD2 3.86Å; I191-T264 HydrophobicContact CD1-CG2 4.1Å; I191-F324 HydrophobicContact CG2-CD1 4.13Å; I191-F326 HydrophobicContact CG1-CD1 4.32Å; I191-F326 HydrophobicContact CG1-CE1 3.66Å; I191-F326 HydrophobicContact CG1-CZ 4.05Å; I191-F476 HydrophobicContact CD1-CD2 3.8Å; I191-F476 HydrophobicContact CD1-CE2 4.17Å
192L92.9Very high89.7Confident3 Ų324.8 Ų24.82%0.01614%0.136CC..EExtended strand (participates in β ladder)trans-108.5-38.6179.4-69.8-177.5000114.3R124 E125 G190 R325 D327R124-L192 HydrophobicContact CB-CD2 3.6Å; R124-L192 WeakPolarHBondContact CD-O 3.37Å; R124-L192 PolarHBondContact NE-O 3.24Å; E125-L192 VanDerWaalsContact CD-CD1 3.46Å; E125-L192 HydrophobicContact CG-CD1 3.76Å; E125-L192 HydrophobicContact CG-CD2 3.97Å; E125-L192 WeakPolarHBondContact OE1-CD1 3.41Å; G190-L192 PolarHBondContact O-N 3.42Å; L192-R325 VanDerWaalsContact CD1-NH1 3.28Å; L192-R325 PolarHBondContact N-O 3.46Å; L192-D327 VanDerWaalsContact CD1-CA 3.43Å; L192-D327 HydrophobicContact CD1-CB 3.7Å; L192-D327 HydrophobicContact CD2-CB 3.98Å; L192-D327 HydrophobicContact CG-CB 3.8Å
193E93.5Very high88.6Confident24 Ų2426.2 Ų26.211%0.11215%0.145CC..EExtended strand (participates in β ladder)trans-161159.6177.858.5-176.9-11000109.5K195 G259 R325E193-K195 WeakPolarHBondContact OE1-CE 3.27Å; E193-G259 WeakPolarHBondContact CA-O 3.36Å; E193-R325 VanDerWaalsContact CD-NE 3.26Å; E193-R325 HydrophobicContact CG-CB 3.72Å; E193-R325 PolarHBondContact O-N 3.22Å; E193-R325 IonicContact OE1-NE 3.48Å; E193-R325 IonicContact OE2-CZ 3.7Å; E193-R325 VanDerWaalsContact OE2-CZ 3.23Å; E193-R325 IonicContact OE2-NE 2.73Å; E193-R325 PolarHBondContact OE2-NE 3.2Å; E193-R325 IonicContact OE2-NH2 3.58Å; E193-R325 PolarHBondContact OE2-NH2 3.13Å
194Y94.3Very high87Confident0 Ų032.3 Ų32.30%017%0.174CC..EExtended strand (participates in β ladder)trans-126144.316279.2-105.8000110.3A196 D226 Y229 I256 G259 L260 L263 T264 I322 I323 F324Y194-A196 HydrophobicContact CD2-CB 3.89Å; Y194-A196 HydrophobicContact CE2-CB 3.74Å; Y194-D226 PolarHBondContact OH-OD2 2.92Å; Y194-Y229 HydrophobicContact CD1-CE2 4.2Å; Y194-Y229 HydrophobicContact CD2-CE2 4.29Å; Y194-Y229 AromaticContact CE1-CD2 3.96Å; Y194-Y229 HydrophobicContact CE1-CD2 3.96Å; Y194-Y229 AromaticContact CE1-CE2 3.73Å; Y194-Y229 HydrophobicContact CE1-CE2 3.73Å; Y194-Y229 HydrophobicContact CE2-CD2 4.34Å; Y194-Y229 AromaticContact CE2-CE2 3.8Å; Y194-Y229 HydrophobicContact CE2-CE2 3.8Å; Y194-Y229 HydrophobicContact CG-CE2 4.46Å; Y194-Y229 AromaticContact CZ-CD2 3.68Å; Y194-Y229 AromaticContact CZ-CE2 3.5Å; Y194-Y229 PolarHBondContact O-OH 2.88Å; Y194-I256 HydrophobicContact CE2-CD1 3.83Å; Y194-I256 HydrophobicContact CE2-CG1 4.34Å; Y194-G259 PolarHBondContact N-O 3.49Å; Y194-L260 HydrophobicContact CD1-CD2 4.07Å; Y194-L263 HydrophobicContact CD1-CB 4.36Å; Y194-L263 HydrophobicContact CD2-CD1 4.13Å; Y194-L263 HydrophobicContact CE1-CB 3.93Å; Y194-L263 HydrophobicContact CE1-CD1 4.21Å; Y194-L263 HydrophobicContact CE1-CG 4.21Å; Y194-L263 HydrophobicContact CE2-CD1 3.74Å; Y194-L263 HydrophobicContact CE2-CG 4.44Å; Y194-T264 HydrophobicContact CD1-CG2 4.29Å; Y194-I322 HydrophobicContact CD2-CG2 4.26Å; Y194-I323 CarbonylContact C-O 3.55Å; Y194-I323 VanDerWaalsContact CA-O 3.31Å; Y194-I323 WeakPolarHBondContact CA-O 3.33Å; Y194-F324 HydrophobicContact CD1-CE1 4.42Å; Y194-F324 HydrophobicContact CG-CE1 4.22Å
195K92.2Very high85.5Confident30 Ų3037.4 Ų37.413%0.1321%0.206CC..EExtended strand (participates in β ladder)trans-107.3123.5172.7-52.1-171.7176.5-177.40108.8E193 I256 E257 I322 I323 D361E193-K195 WeakPolarHBondContact OE1-CE 3.27Å; K195-I256 WeakPolarHBondContact CA-O 3.49Å; K195-E257 HydrophobicContact CB-CB 4.3Å; K195-E257 HydrophobicContact CD-CB 4.1Å; K195-E257 WeakPolarHBondContact CE-OE2 3.43Å; K195-E257 HydrophobicContact CG-CB 3.78Å; K195-E257 IonicContact NZ-OE2 3.46Å; K195-E257 PolarHBondContact NZ-OE2 2.88Å; K195-I322 CarbonylContact O-C 3.56Å; K195-I322 WeakPolarHBondContact O-CA 3.37Å; K195-I323 HydrophobicContact CB-CB 4.36Å; K195-I323 PolarHBondContact N-O 3.11Å; K195-I323 PolarHBondContact O-N 3.11Å; K195-D361 IonicContact NZ-OD2 3.57Å; K195-D361 PolarHBondContact NZ-OD2 2.83Å
196A91.2Very high84.2Confident1 Ų140.2 Ų40.21%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-147.7155.6178.700000111.2Y194 I255 I256 I322Y194-A196 HydrophobicContact CD2-CB 3.89Å; Y194-A196 HydrophobicContact CE2-CB 3.74Å; A196-I255 CarbonylContact O-C 3.57Å; A196-I255 WeakPolarHBondContact O-CA 3.5Å; A196-I255 WeakPolarHBondContact O-CG2 3.11Å; A196-I256 HydrophobicContact CB-CG1 4.31Å; A196-I256 PolarHBondContact N-O 3.44Å; A196-I256 VanDerWaalsContact N-O 3.08Å; A196-I256 WeakPolarHBondContact O-CG1 3.5Å; A196-I256 PolarHBondContact O-N 3.41Å; A196-I322 HydrophobicContact CB-CG1 4.17Å; A196-I322 HydrophobicContact CB-CG2 4.28Å
197P89.3Confident82.7Confident19 Ų1940 Ų4012%0.12322%0.219CC..EExtended strand (participates in β ladder)trans-58.7142.5162-23.133.7000111.5Q253 T254 W285 L320 R321P197-Q253 HydrophobicContact CB-CG 4.11Å; P197-Q253 VanDerWaalsContact CB-NE2 3.31Å; P197-T254 WeakPolarHBondContact CA-O 3.38Å; P197-W285 PolarHBondContact O-NE1 3.47Å; P197-L320 HydrophobicContact CB-CD1 4.36Å; P197-L320 HydrophobicContact CG-CD1 3.93Å; P197-R321 WeakPolarHBondContact CD-O 3.17Å
198E87.3Confident81.1Confident51 Ų5138.3 Ų38.324%0.23822%0.216CC..PPolyproline II helixtrans-59.7150.1173.7-166.7168.2-155.500111.3L225 T254 I256 W285E198-L225 HydrophobicContact CG-CD2 4.47Å; E198-T254 WeakPolarHBondContact CB-OG1 3.43Å; E198-T254 PolarHBondContact N-O 3.03Å; E198-T254 VanDerWaalsContact OE2-CB 3.27Å; E198-T254 WeakPolarHBondContact OE2-CB 3.41Å; E198-T254 PolarHBondContact OE2-OG1 2.99Å; E198-I256 HydrophobicContact CB-CG2 4.49Å; E198-W285 VanDerWaalsContact O-CD1 3.31Å; E198-W285 PolarHBondContact O-NE1 2.88Å
199G87.3Confident79.1Confident11 Ų1143.1 Ų43.111%0.11325%0.249CC..PPolyproline II helixtrans-62.8160176.100000112.4L225 G284G199-L225 VanDerWaalsContact C-CD2 3.45Å; G199-L225 WeakPolarHBondContact O-CD2 3.48Å; G199-G284 WeakPolarHBondContact CA-O 3.28Å
200A86.7Confident77.2Confident27 Ų2746.1 Ų46.122%0.22326%0.261CS..PPolyproline II helixtrans-90.5131.9175.400000110.8L224 G284 R286 W468A200-L224 WeakPolarHBondContact O-CB 3.11Å; A200-G284 PolarHBondContact N-O 2.95Å; A200-R286 HydrophobicContact CB-CB 4.25Å; A200-W468 HydrophobicContact CB-CH2 4.27Å; A200-W468 HydrophobicContact CB-CZ3 3.88Å
201L83Confident75Confident106 Ų10655.2 Ų55.256%0.55530%0.303SS*.PPolyproline II helixtrans-58.3141.8171.2-69.6171.9000111.3R221 T222 L225L201-R221 WeakPolarHBondContact CD2-O 3.14Å; L201-T222 HydrophobicContact CD2-CG2 4.03Å; L201-L225 HydrophobicContact CD2-CD1 3.88Å; L201-L225 HydrophobicContact CD2-CD2 4.24Å; L201-L225 HydrophobicContact CD2-CG 4.22Å
202L78.1Confident72.9Confident7 Ų763.1 Ų63.14%0.03734%0.339CS..PPolyproline II helixtrans-66.8128.5174.7-87.1166.9000110.9I206 E220 R221 R223 L224 F277L202-I206 HydrophobicContact CD2-CG2 4.16Å; L202-E220 WeakPolarHBondContact CD1-O 3.39Å; L202-R221 PolarHBondContact N-O 3.22Å; L202-R223 HydrophobicContact CD1-CB 4.01Å; L202-R223 HydrophobicContact CD1-CG 3.97Å; L202-L224 HydrophobicContact CD1-CG 4.31Å; L202-L224 HydrophobicContact CD2-CD1 3.69Å; L202-L224 HydrophobicContact CD2-CG 4.32Å; L202-L224 HydrophobicContact CG-CD1 3.77Å; L202-L224 HydrophobicContact CG-CG 3.99Å; L202-F277 HydrophobicContact CD2-CB 4.17Å; L202-F277 HydrophobicContact CD2-CD1 3.7Å; L202-F277 HydrophobicContact CD2-CE1 4.24Å; L202-F277 HydrophobicContact CD2-CG 3.96Å
203P71.3Confident70.4Confident32 Ų3272.2 Ų72.221%0.20838%0.375CS..PPolyproline II helixtrans-62.2144.8171.9-2233.6000111.7T205 I206 S207 W468P203-T205 PolarHBondContact O-N 2.95Å; P203-I206 HydrophobicContact CB-CG1 4.48Å; P203-I206 HydrophobicContact CG-CD1 4.17Å; P203-I206 PolarHBondContact O-N 3.44Å; P203-S207 PolarHBondContact O-N 3.37Å; P203-W468 HydrophobicContact CG-CH2 4.39Å; P203-W468 HydrophobicContact CG-CZ2 4Å
204E60.8Low67.9Low129 Ų12978.3 Ų78.360%0.60341%0.408SS*.THydrogen-bonded Turntrans-57-23.8176.1-57.9-169.1160.900112.8I206 R221E204-I206 VanDerWaalsContact C-N 3.33Å; E204-R221 VanDerWaalsContact CD-NH2 3.35Å; E204-R221 IonicContact OE1-CZ 2.77Å; E204-R221 IonicContact OE1-NH1 2.8Å; E204-R221 PolarHBondContact OE1-NH1 3.37Å; E204-R221 IonicContact OE1-NH2 2.98Å; E204-R221 PolarHBondContact OE1-NH2 3.1Å
205T62Low65.5Low131 Ų13185.6 Ų85.680%0.80445%0.447SS*.THydrogen-bonded Turntrans-80.5-6.8177.962.20000114.7P203P203-T205 PolarHBondContact O-N 2.95Å
206I64.2Low63.5Low59 Ų5989 Ų8930%0.30347%0.467SS..THydrogen-bonded Turntrans-121.2-22.9-179.8-56.9-179.7000110.9L202 P203 E204 F277L202-I206 HydrophobicContact CD2-CG2 4.16Å; P203-I206 HydrophobicContact CB-CG1 4.48Å; P203-I206 HydrophobicContact CG-CD1 4.17Å; P203-I206 PolarHBondContact O-N 3.44Å; E204-I206 VanDerWaalsContact C-N 3.33Å; I206-F277 HydrophobicContact CG2-CB 4.41Å; I206-F277 HydrophobicContact CG2-CD2 3.48Å; I206-F277 VanDerWaalsContact CG2-CD2 3.48Å; I206-F277 HydrophobicContact CG2-CE2 3.87Å; I206-F277 HydrophobicContact CG2-CG 4.06Å
207S59.2Low61.2Low24 Ų2492.2 Ų92.217%0.16849%0.488CS..SBendtrans-57.7128.2173.9-159.20000110.7P203 S209P203-S207 PolarHBondContact O-N 3.37Å; S207-S209 PolarHBondContact O-N 3.1Å
208P54Low59.4Low56 Ų5694.4 Ų94.436%0.36450%0.504SS..  trans-64.9130.9-178.726.9-34.2000110.6H210P208-H210 PolarHBondContact O-N 3.45Å
209S47Very low58.3Low109 Ų10995.5 Ų95.576%0.76251%0.511SS*.  trans-75.890.4-169.956.40000113.8S207 Q211S207-S209 PolarHBondContact O-N 3.1Å; S209-Q211 PolarHBondContact O-N 2.77Å; S209-Q211 VanDerWaalsContact O-N 3.13Å
210H44.3Very low57.4Low131 Ų13196.7 Ų96.761%0.60651%0.513SS*.SBendtrans46.452142.2-91.2-43.3000118P208P208-H210 PolarHBondContact O-N 3.45Å
211Q43.7Very low56.8Low193 Ų19399.8 Ų99.890%0.90252%0.519SS*.SBendtrans-137.9-2.5173.2-78.8-157.6-24.300118.1S209S209-Q211 PolarHBondContact O-N 2.77Å; S209-Q211 VanDerWaalsContact O-N 3.13Å
212Q49Very low56.5Low182 Ų18296.6 Ų96.685%0.8550%0.504SS*.SBendtrans-137.8-3.6-174.2-142.7171.6-0.600118.3
213Y40.8Very low56.7Low195 Ų19597.6 Ų97.677%0.76551%0.508SS*.  trans-130.6111.5167.7-83-87.8000110.2
214N40.8Very low57.4Low151 Ų15196.1 Ų96.181%0.80750%0.498SS*.  trans-72.8145.6166.1-79.7-21.7000109.4
215N42.7Very low58.7Low153 Ų15391.1 Ų91.182%0.81848%0.475SS*.SBendtrans85.8120.2177-45.3-29.8000115.5
216N49.9Very low60Low101 Ų10185.1 Ų85.154%0.5444%0.438SS..  trans65.982.8173.6-81.6-14.3000119.3S218 N219N216-S218 WeakPolarHBondContact CB-OG 3.33Å; N216-S218 PolarHBondContact O-N 2.94Å; N216-S218 VanDerWaalsContact O-N 3.08Å; N216-N219 WeakPolarHBondContact O-CB 3.44Å; N216-N219 PolarHBondContact O-N 2.81Å
217P44.2Very low61Low69 Ų6984.9 Ų84.945%0.44844%0.44SS..THydrogen-bonded Turntrans-60.4-10.1163.322.3-32.8000115.5N219P217-N219 VanDerWaalsContact C-N 3.31Å
218S51.9Low62.4Low66 Ų6685 Ų8546%0.46244%0.439SS..THydrogen-bonded Turntrans-61.4-41.7167.942.60000111.3N216 E220 R221 T222N216-S218 WeakPolarHBondContact CB-OG 3.33Å; N216-S218 PolarHBondContact O-N 2.94Å; N216-S218 VanDerWaalsContact O-N 3.08Å; S218-E220 VanDerWaalsContact C-N 3.35Å; S218-E220 PolarHBondContact O-N 3Å; S218-R221 PolarHBondContact O-N 2.88Å; S218-T222 PolarHBondContact O-N 3.17Å; S218-T222 PolarHBondContact O-OG1 2.87Å
219N64.2Low64.2Low73 Ų7382.9 Ų82.939%0.3942%0.424SS..Hα-helixtrans-66.4-34.9-175.2-162.67.3000112.4N216 P217 R221 T222 R223 H280N216-N219 WeakPolarHBondContact O-CB 3.44Å; N216-N219 PolarHBondContact O-N 2.81Å; P217-N219 VanDerWaalsContact C-N 3.31Å; N219-R221 PolarHBondContact O-N 2.9Å; N219-T222 WeakPolarHBondContact CA-OG1 3.31Å; N219-T222 PolarHBondContact O-N 3.44Å; N219-T222 PolarHBondContact O-OG1 2.66Å; N219-R223 WeakPolarHBondContact O-CG 3.39Å; N219-R223 PolarHBondContact O-N 3.12Å; N219-H280 PolarHBondContact OD1-CE1 3.37Å
220E67.5Low66.3Low36 Ų3678.9 Ų78.917%0.16839%0.394CS..Hα-helixtrans-65.4-20.8177.4-67.1-176.5161.400113.8L202 S218 R223L202-E220 WeakPolarHBondContact CD1-O 3.39Å; S218-E220 VanDerWaalsContact C-N 3.35Å; S218-E220 PolarHBondContact O-N 3Å; E220-R223 WeakPolarHBondContact O-CD 3.47Å; E220-R223 WeakPolarHBondContact O-CG 3.23Å
221R74.1Confident68.3Low92 Ų9273.4 Ų73.435%0.34737%0.371SS..Hα-helixtrans-93.6-29.5178.5-61.4179.2-174.6-140.4-5.5112.7L201 L202 E204 S218 N219L201-R221 WeakPolarHBondContact CD2-O 3.14Å; L202-R221 PolarHBondContact N-O 3.22Å; E204-R221 VanDerWaalsContact CD-NH2 3.35Å; E204-R221 IonicContact OE1-CZ 2.77Å; E204-R221 IonicContact OE1-NH1 2.8Å; E204-R221 PolarHBondContact OE1-NH1 3.37Å; E204-R221 IonicContact OE1-NH2 2.98Å; E204-R221 PolarHBondContact OE1-NH2 3.1Å; S218-R221 PolarHBondContact O-N 2.88Å; N219-R221 PolarHBondContact O-N 2.9Å
222T77.3Confident69.5Low39 Ų3969.5 Ų69.524%0.23935%0.351CS..Hα-helixtrans-89.61.3-175.853.10000114.3L201 S218 N219 L224 L225L201-T222 HydrophobicContact CD2-CG2 4.03Å; S218-T222 PolarHBondContact O-N 3.17Å; S218-T222 PolarHBondContact O-OG1 2.87Å; N219-T222 WeakPolarHBondContact CA-OG1 3.31Å; N219-T222 PolarHBondContact O-N 3.44Å; N219-T222 PolarHBondContact O-OG1 2.66Å; T222-L224 VanDerWaalsContact C-N 3.28Å; T222-L224 PolarHBondContact O-N 2.71Å; T222-L225 HydrophobicContact CG2-CD1 3.85Å; T222-L225 VanDerWaalsContact O-CB 3.28Å; T222-L225 WeakPolarHBondContact O-CB 3.12Å; T222-L225 WeakPolarHBondContact O-CG 3.12Å; T222-L225 PolarHBondContact O-N 2.83Å
223R81.7Confident69.7Low29 Ų2963.3 Ų63.311%0.10933%0.328CS..THydrogen-bonded Turntrans-51.1-44.7-174.4-48.3-177.181.7158.118.2114L202 N219 E220 L225 K262 F277 S278 S279 H280L202-R223 HydrophobicContact CD1-CB 4.01Å; L202-R223 HydrophobicContact CD1-CG 3.97Å; N219-R223 WeakPolarHBondContact O-CG 3.39Å; N219-R223 PolarHBondContact O-N 3.12Å; E220-R223 WeakPolarHBondContact O-CD 3.47Å; E220-R223 WeakPolarHBondContact O-CG 3.23Å; R223-L225 VanDerWaalsContact C-N 3.27Å; R223-L225 PolarHBondContact O-N 2.69Å; R223-K262 PolarHBondContact O-NZ 2.99Å; R223-F277 PolarHBondContact NH1-O 2.86Å; R223-S278 VanDerWaalsContact CZ-C 3.49Å; R223-S278 VanDerWaalsContact NH1-CA 3.35Å; R223-S278 VanDerWaalsContact NH2-C 3.32Å; R223-S278 PolarHBondContact NH2-O 2.87Å; R223-S279 PolarHBondContact NE-O 3.38Å; R223-H280 PolarHBondContact NE-NE2 3.22Å; R223-H280 PolarHBondContact NH2-CD2 2.84Å; R223-H280 VanDerWaalsContact NH2-CD2 3.26Å; R223-H280 PolarHBondContact NH2-NE2 2.87Å
224L86.9Confident70Confident1 Ų160.8 Ų60.81%0.00532%0.323CS..THydrogen-bonded Turntrans-81.51.8-178.5-64.5-177.5000114.1A200 L202 T222 F277 F282 I283 G284 W468A200-L224 WeakPolarHBondContact O-CB 3.11Å; L202-L224 HydrophobicContact CD1-CG 4.31Å; L202-L224 HydrophobicContact CD2-CD1 3.69Å; L202-L224 HydrophobicContact CD2-CG 4.32Å; L202-L224 HydrophobicContact CG-CD1 3.77Å; L202-L224 HydrophobicContact CG-CG 3.99Å; T222-L224 VanDerWaalsContact C-N 3.28Å; T222-L224 PolarHBondContact O-N 2.71Å; L224-F277 HydrophobicContact CD1-CD1 3.85Å; L224-F277 HydrophobicContact CD1-CE1 3.77Å; L224-F277 HydrophobicContact CD2-CD1 4.17Å; L224-F277 HydrophobicContact CG-CD1 4.43Å; L224-F282 WeakPolarHBondContact CA-O 3.36Å; L224-I283 WeakPolarHBondContact O-CA 3.36Å; L224-I283 WeakPolarHBondContact O-CG2 3.04Å; L224-G284 PolarHBondContact O-N 2.04Å; L224-W468 HydrophobicContact CD1-CE3 4.36Å; L224-W468 HydrophobicContact CD1-CH2 4.47Å; L224-W468 HydrophobicContact CD1-CZ3 3.84Å
225L88.4Confident69.9Low23 Ų2358.8 Ų58.812%0.1231%0.307CS..SBendtrans-86.4159.8170.3-51.2-173.4000110.2E198 G199 L201 T222 R223 T227 K262E198-L225 HydrophobicContact CG-CD2 4.47Å; G199-L225 VanDerWaalsContact C-CD2 3.45Å; G199-L225 WeakPolarHBondContact O-CD2 3.48Å; L201-L225 HydrophobicContact CD2-CD1 3.88Å; L201-L225 HydrophobicContact CD2-CD2 4.24Å; L201-L225 HydrophobicContact CD2-CG 4.22Å; T222-L225 HydrophobicContact CG2-CD1 3.85Å; T222-L225 VanDerWaalsContact O-CB 3.28Å; T222-L225 WeakPolarHBondContact O-CB 3.12Å; T222-L225 WeakPolarHBondContact O-CG 3.12Å; T222-L225 PolarHBondContact O-N 2.83Å; R223-L225 VanDerWaalsContact C-N 3.27Å; R223-L225 PolarHBondContact O-N 2.69Å; L225-T227 PolarHBondContact O-N 2.81Å; L225-T227 VanDerWaalsContact O-N 3.17Å; L225-K262 PolarHBondContact O-NZ 2.83Å
226D88.7Confident69.3Low6 Ų659.7 Ų59.73%0.03230%0.303CS..  trans-76.4101.9159.9-157-30.9000110.1Y194 T228 Y229 K235 I256 G261 K262 I283Y194-D226 PolarHBondContact OH-OD2 2.92Å; D226-T228 PolarHBondContact OD1-N 2.61Å; D226-T228 PolarHBondContact OD1-OG1 2.87Å; D226-T228 VanDerWaalsContact OD1-OG1 3.11Å; D226-Y229 PolarHBondContact OD1-N 2.89Å; D226-K235 PolarHBondContact O-NZ 3.34Å; D226-K235 VanDerWaalsContact O-NZ 3.11Å; D226-I256 HydrophobicContact CB-CD1 4.18Å; D226-G261 WeakPolarHBondContact OD2-CA 3.47Å; D226-K262 PolarHBondContact OD1-N 3.37Å; D226-K262 PolarHBondContact OD2-N 3.5Å; D226-I283 HydrophobicContact CB-CD1 3.77Å; D226-I283 HydrophobicContact CB-CG1 4.36Å
227T85Confident68.3Low54 Ų5464.3 Ų64.333%0.33131%0.313SS..SBendtrans-84-17.5174.348.90000112.8E136 L225 K262E136-T227 PolarHBondContact OE1-OG1 2.88Å; L225-T227 PolarHBondContact O-N 2.81Å; L225-T227 VanDerWaalsContact O-N 3.17Å; T227-K262 WeakPolarHBondContact OG1-CE 3.45Å; T227-K262 PolarHBondContact OG1-NZ 2.84Å
228T88Confident67.6Low25 Ų2566.1 Ų66.115%0.15332%0.319CS..SBendtrans-102.1-7.6-177.660.10000113.1P158 D226 D230 K262P158-T228 HydrophobicContact CB-CG2 3.78Å; P158-T228 HydrophobicContact CG-CG2 3.78Å; D226-T228 PolarHBondContact OD1-N 2.61Å; D226-T228 PolarHBondContact OD1-OG1 2.87Å; D226-T228 VanDerWaalsContact OD1-OG1 3.11Å; T228-D230 PolarHBondContact O-N 3.39Å; T228-D230 VanDerWaalsContact O-N 3.15Å; T228-K262 WeakPolarHBondContact OG1-CG 3.36Å; T228-K262 PolarHBondContact OG1-N 3.46Å
229Y91.2Very high66.7Low13 Ų1372.7 Ų72.75%0.05134%0.339CS..  trans-53.1114.7178.9-158.8-103.5000112.8Y194 D226 I256 E257 G259 L260Y194-Y229 HydrophobicContact CD1-CE2 4.2Å; Y194-Y229 HydrophobicContact CD2-CE2 4.29Å; Y194-Y229 AromaticContact CE1-CD2 3.96Å; Y194-Y229 HydrophobicContact CE1-CD2 3.96Å; Y194-Y229 AromaticContact CE1-CE2 3.73Å; Y194-Y229 HydrophobicContact CE1-CE2 3.73Å; Y194-Y229 HydrophobicContact CE2-CD2 4.34Å; Y194-Y229 AromaticContact CE2-CE2 3.8Å; Y194-Y229 HydrophobicContact CE2-CE2 3.8Å; Y194-Y229 HydrophobicContact CG-CE2 4.46Å; Y194-Y229 AromaticContact CZ-CD2 3.68Å; Y194-Y229 AromaticContact CZ-CE2 3.5Å; Y194-Y229 PolarHBondContact O-OH 2.88Å; D226-Y229 PolarHBondContact OD1-N 2.89Å; Y229-I256 HydrophobicContact CD1-CB 4.01Å; Y229-I256 HydrophobicContact CD1-CG2 4.38Å; Y229-I256 HydrophobicContact CD2-CD1 3.89Å; Y229-I256 HydrophobicContact CE1-CB 3.68Å; Y229-I256 HydrophobicContact CE1-CG1 4.49Å; Y229-I256 HydrophobicContact CE1-CG2 4.46Å; Y229-I256 HydrophobicContact CE2-CB 4.4Å; Y229-I256 HydrophobicContact CE2-CD1 3.99Å; Y229-I256 HydrophobicContact CE2-CG1 4.35Å; Y229-I256 HydrophobicContact CG-CB 4.48Å; Y229-I256 HydrophobicContact CG-CD1 4.16Å; Y229-E257 WeakPolarHBondContact OH-CA 3.5Å; Y229-E257 PolarHBondContact OH-N 2.88Å; Y229-G259 VanDerWaalsContact CE2-C 3.41Å; Y229-G259 WeakPolarHBondContact CE2-O 3.27Å; Y229-G259 VanDerWaalsContact CZ-C 3.48Å; Y229-G259 WeakPolarHBondContact OH-CA 3.44Å; Y229-G259 PolarHBondContact OH-N 3.25Å; Y229-G259 PolarHBondContact OH-O 2.67Å; Y229-L260 VanDerWaalsContact CA-O 3.29Å; Y229-L260 WeakPolarHBondContact CA-O 3.36Å
230D91.1Very high65.2Low24 Ų2475.7 Ų75.713%0.12836%0.355CS..  trans-79.9-22.7-165.667.2-0.9000115.3Y122 R124 F131 T228 K232 G259 L260Y122-D230 WeakPolarHBondContact CE2-OD2 3.32Å; Y122-D230 WeakPolarHBondContact OH-CB 3.41Å; Y122-D230 PolarHBondContact OH-OD2 3.03Å; R124-D230 IonicContact CZ-OD1 2.74Å; R124-D230 IonicContact CZ-OD2 3.71Å; R124-D230 IonicContact NH1-OD1 2.74Å; R124-D230 IonicContact NH1-OD2 2.63Å; R124-D230 PolarHBondContact NH1-OD2 2.86Å; R124-D230 IonicContact NH2-OD1 3.71Å; R124-D230 PolarHBondContact NH2-OD1 3.33Å; R124-D230 IonicContact NH2-OD2 2.8Å; R124-D230 PolarHBondContact NH2-OD2 3.04Å; F131-D230 HydrophobicContact CD1-CB 4.02Å; T228-D230 PolarHBondContact O-N 3.39Å; T228-D230 VanDerWaalsContact O-N 3.15Å; D230-K232 PolarHBondContact O-N 3.38Å; D230-G259 WeakPolarHBondContact OD1-CA 3.46Å; D230-L260 PolarHBondContact N-O 3.18Å; D230-L260 PolarHBondContact OD1-N 3Å
231S86.3Confident63.5Low17 Ų1780.5 Ų80.512%0.11938%0.382CS..  trans-75.5126.6173.7-174.50000111.5S233 E257S231-S233 PolarHBondContact OG-OG 2.77Å; S231-E257 WeakPolarHBondContact CB-O 3.23Å; S231-E257 PolarHBondContact OG-O 3.32Å; S231-E257 VanDerWaalsContact OG-O 3.11Å
232K70.6Confident61.5Low111 Ų11180 Ų8048%0.48339%0.385SS..  trans-94.53.6-178.9-66.9172.1177.7173.10112.6E134 D230E134-K232 IonicContact OE2-NZ 3.62Å; E134-K232 PolarHBondContact OE2-NZ 2.89Å; D230-K232 PolarHBondContact O-N 3.38Å
233S51.9Low59.5Low52 Ų5284.1 Ų84.136%0.36440%0.402SS..THydrogen-bonded Turntrans-59.9137.7170.851.10000110.5S231 K235 E257S231-S233 PolarHBondContact OG-OG 2.77Å; S233-K235 VanDerWaalsContact C-N 3.29Å; S233-K235 PolarHBondContact O-N 3.34Å; S233-K235 VanDerWaalsContact O-N 3.14Å; S233-E257 PolarHBondContact OG-O 3.11Å
234H46.7Very low57.2Low142 Ų14291.5 Ų91.566%0.65744%0.438SS*.THydrogen-bonded Turntrans65.4-5.2-179.1-66.3-74.6000119.6F236H234-F236 PolarHBondContact O-N 2.92Å
235K40.2Very low54.5Low109 Ų10997.6 Ų97.647%0.47447%0.471SS..  trans-75.16.1168.1-89.4177178.8167.20114.7D226 S233D226-K235 PolarHBondContact O-NZ 3.34Å; D226-K235 VanDerWaalsContact O-NZ 3.11Å; S233-K235 VanDerWaalsContact C-N 3.29Å; S233-K235 PolarHBondContact O-N 3.34Å; S233-K235 VanDerWaalsContact O-N 3.14Å
236F29.2Very low51.7Low171 Ų171105.2 Ų105.275%0.7550%0.503SS*.SBendtrans-113.8132.5176.1-102.9-89.7000112.6H234H234-F236 PolarHBondContact O-N 2.92Å
237R28.8Very low49.1Very low198 Ų198112.7 Ų112.775%0.74754%0.541SS*.SBendtrans61.688.6165.7-58.6178.2-177.2159.90.1117.2
238L30.6Very low46.5Very low107 Ų107117.5 Ų117.556%0.5656%0.56SS**SBendtrans-141.7-29.7147-105.6171.2000113I242L238-I242 HydrophobicContact CD2-CD1 3.52Å; L238-I242 WeakPolarHBondContact O-CG1 3.32Å
239F32.3Very low43.6Very low205 Ų205123.4 Ų123.490%0.89959%0.59SS**THydrogen-bonded Turntrans-78.2-24.6179.6-75.5-75000115.2N241F239-N241 VanDerWaalsContact C-N 3.35Å; F239-N241 PolarHBondContact O-N 2.92Å
240D32.7Very low40.9Very low135 Ų135128 Ų12872%0.72262%0.615SS**THydrogen-bonded Turntrans-77-17.9-175-51.8-58.3000114.2
241N31.9Very low38.2Very low138 Ų138131.1 Ų131.174%0.73864%0.639SS**THydrogen-bonded Turntrans-112.2-8.9-175.1-78.22.2000114.3F239F239-N241 VanDerWaalsContact C-N 3.35Å; F239-N241 PolarHBondContact O-N 2.92Å
242I32.4Very low36Very low80 Ų80139.4 Ų139.441%0.4167%0.669SS.*  trans-10862.9-174.8-50.8-177.4000110.6L238 D245L238-I242 HydrophobicContact CD2-CD1 3.52Å; L238-I242 WeakPolarHBondContact O-CG1 3.32Å; I242-D245 HydrophobicContact CG2-CB 4.12Å
243Q35.6Very low35.4Very low126 Ų126139 Ų13959%0.58967%0.669SS**SBendtrans-10413164.7-149.317312.200112.4Y763Q243-Y763 VanDerWaalsContact NE2-CD2 3.3Å; Q243-Y763 VanDerWaalsContact NE2-CE2 3.27Å
244Q33Very low36.4Very low184 Ų184139.3 Ų139.386%0.8667%0.669SS**SBendtrans-127.4-29.7-179.7-73-177.5-48.600115.4F246Q244-F246 PolarHBondContact O-N 3.43Å
245D29.3Very low38.1Very low130 Ų130136.7 Ų136.770%0.69566%0.658SS**  trans-84.741.2-180-63.6-45.4000114.6I242 I247I242-D245 HydrophobicContact CG2-CB 4.12Å; D245-I247 PolarHBondContact O-N 3.17Å
246F30.6Very low40.3Very low183 Ų183132.2 Ų132.280%0.80364%0.64SS**THydrogen-bonded Turntrans-75.364.8175.7-107.7-86.5000111.9Q244Q244-F246 PolarHBondContact O-N 3.43Å
247I32.8Very low43.2Very low162 Ų162127 Ų12783%0.83162%0.618SS**THydrogen-bonded Turntrans-152.4-18.6174.4-114.3153.1000116.9D245D245-I247 PolarHBondContact O-N 3.17Å
248H30.3Very low45.9Very low156 Ų156118.9 Ų118.972%0.72260%0.596SS**  trans-127.7121.8-178.8-104.8-74.4000114.4L250H248-L250 VanDerWaalsContact C-N 3.32Å; H248-L250 HydrophobicContact CB-CD1 4.22Å; H248-L250 PolarHBondContact O-N 2.95Å
249D28.1Very low48.8Very low148 Ų148113.8 Ų113.879%0.79157%0.569SS**  trans-78.669.6-176.1-172.113.9000112.7
250L34.7Very low51.7Low110 Ų110104.4 Ų104.458%0.57653%0.528SS*.  trans-103.582.2166.7-80.688.5000110.2H248 Y252H248-L250 VanDerWaalsContact C-N 3.32Å; H248-L250 HydrophobicContact CB-CD1 4.22Å; H248-L250 PolarHBondContact O-N 2.95Å; L250-Y252 VanDerWaalsContact C-N 3.27Å; L250-Y252 HydrophobicContact CB-CD2 4.25Å; L250-Y252 HydrophobicContact CB-CE2 3.94Å; L250-Y252 HydrophobicContact CD2-CE2 4.16Å; L250-Y252 WeakPolarHBondContact O-CD2 3.16Å; L250-Y252 PolarHBondContact O-N 3.45Å
251S34Very low54.5Low90 Ų9098.3 Ų98.363%0.62950%0.497SS*.  trans-70.181.5168.643.40000111.4Q253S251-Q253 PolarHBondContact O-N 3.27Å; S251-Q253 VanDerWaalsContact O-N 3.1Å
252Y41.2Very low57.3Low190 Ų19092 Ų9275%0.74546%0.463SS*.  trans-55.6113.8166.3-74.9-88.4000109.1L250 T254L250-Y252 VanDerWaalsContact C-N 3.27Å; L250-Y252 HydrophobicContact CB-CD2 4.25Å; L250-Y252 HydrophobicContact CB-CE2 3.94Å; L250-Y252 HydrophobicContact CD2-CE2 4.16Å; L250-Y252 WeakPolarHBondContact O-CD2 3.16Å; L250-Y252 PolarHBondContact O-N 3.45Å; Y252-T254 PolarHBondContact O-N 3.04Å
253Q58Low60.1Low102 Ų10288.2 Ų88.248%0.47744%0.443SS..  trans-77.4114179.6-174.4163.96.100108.5P197 S251P197-Q253 HydrophobicContact CB-CG 4.11Å; P197-Q253 VanDerWaalsContact CB-NE2 3.31Å; S251-Q253 PolarHBondContact O-N 3.27Å; S251-Q253 VanDerWaalsContact O-N 3.1Å
254T72.5Confident62.8Low60 Ų6082.7 Ų82.737%0.36842%0.418SS..  trans-60135.7174.337.20000110P197 E198 Y252P197-T254 WeakPolarHBondContact CA-O 3.38Å; E198-T254 WeakPolarHBondContact CB-OG1 3.43Å; E198-T254 PolarHBondContact N-O 3.03Å; E198-T254 VanDerWaalsContact OE2-CB 3.27Å; E198-T254 WeakPolarHBondContact OE2-CB 3.41Å; E198-T254 PolarHBondContact OE2-OG1 2.99Å; Y252-T254 PolarHBondContact O-N 3.04Å
255I81.8Confident65.1Low86 Ų8674.2 Ų74.244%0.44138%0.379SS..EExtended strand (participates in β ladder)trans-116.5126.7175.1-63.4175.4000106.3A196A196-I255 CarbonylContact O-C 3.57Å; A196-I255 WeakPolarHBondContact O-CA 3.5Å; A196-I255 WeakPolarHBondContact O-CG2 3.11Å
256I87.4Confident67.5Low16 Ų1670.9 Ų70.98%0.08236%0.361CS..EExtended strand (participates in β ladder)trans-86.2127.5170.252.6172.3000108.3Y194 K195 A196 E198 D226 Y229Y194-I256 HydrophobicContact CE2-CD1 3.83Å; Y194-I256 HydrophobicContact CE2-CG1 4.34Å; K195-I256 WeakPolarHBondContact CA-O 3.49Å; A196-I256 HydrophobicContact CB-CG1 4.31Å; A196-I256 PolarHBondContact N-O 3.44Å; A196-I256 VanDerWaalsContact N-O 3.08Å; A196-I256 WeakPolarHBondContact O-CG1 3.5Å; A196-I256 PolarHBondContact O-N 3.41Å; E198-I256 HydrophobicContact CB-CG2 4.49Å; D226-I256 HydrophobicContact CB-CD1 4.18Å; Y229-I256 HydrophobicContact CD1-CB 4.01Å; Y229-I256 HydrophobicContact CD1-CG2 4.38Å; Y229-I256 HydrophobicContact CD2-CD1 3.89Å; Y229-I256 HydrophobicContact CE1-CB 3.68Å; Y229-I256 HydrophobicContact CE1-CG1 4.49Å; Y229-I256 HydrophobicContact CE1-CG2 4.46Å; Y229-I256 HydrophobicContact CE2-CB 4.4Å; Y229-I256 HydrophobicContact CE2-CD1 3.99Å; Y229-I256 HydrophobicContact CE2-CG1 4.35Å; Y229-I256 HydrophobicContact CG-CB 4.48Å; Y229-I256 HydrophobicContact CG-CD1 4.16Å
257E88.6Confident69.6Low62 Ų6265.2 Ų65.229%0.2934%0.339SS..EExtended strand (participates in β ladder)trans-145.4162.2178.665.3170.3-179.300113.5K195 Y229 S231 S233 G259K195-E257 HydrophobicContact CB-CB 4.3Å; K195-E257 HydrophobicContact CD-CB 4.1Å; K195-E257 WeakPolarHBondContact CE-OE2 3.43Å; K195-E257 HydrophobicContact CG-CB 3.78Å; K195-E257 IonicContact NZ-OE2 3.46Å; K195-E257 PolarHBondContact NZ-OE2 2.88Å; Y229-E257 WeakPolarHBondContact OH-CA 3.5Å; Y229-E257 PolarHBondContact OH-N 2.88Å; S231-E257 WeakPolarHBondContact CB-O 3.23Å; S231-E257 PolarHBondContact OG-O 3.32Å; S231-E257 VanDerWaalsContact OG-O 3.11Å; S233-E257 PolarHBondContact OG-O 3.11Å; E257-G259 PolarHBondContact O-N 2.63Å
258G86.1Confident71.2Confident27 Ų2758 Ų5828%0.27830%0.303SS..EExtended strand (participates in β ladder)trans77.8-2.4-178.700000115.5
259G92Very high72.7Confident0 Ų053 Ų530%028%0.28CS..EExtended strand (participates in β ladder)trans-122.4176.4-173.500000115.3E193 Y194 Y229 D230 E257E193-G259 WeakPolarHBondContact CA-O 3.36Å; Y194-G259 PolarHBondContact N-O 3.49Å; Y229-G259 VanDerWaalsContact CE2-C 3.41Å; Y229-G259 WeakPolarHBondContact CE2-O 3.27Å; Y229-G259 VanDerWaalsContact CZ-C 3.48Å; Y229-G259 WeakPolarHBondContact OH-CA 3.44Å; Y229-G259 PolarHBondContact OH-N 3.25Å; Y229-G259 PolarHBondContact OH-O 2.67Å; D230-G259 WeakPolarHBondContact OD1-CA 3.46Å; E257-G259 PolarHBondContact O-N 2.63Å
260L93.7Very high74.1Confident8 Ų854.3 Ų54.34%0.04228%0.279CS..  trans-129.7156.8168.4-66.6176.3000109.5V161 I191 Y194 Y229 D230 T264V161-L260 HydrophobicContact CB-CD1 3.76Å; V161-L260 HydrophobicContact CG1-CD1 3.62Å; V161-L260 HydrophobicContact CG2-CD1 4.35Å; I191-L260 HydrophobicContact CG2-CD2 3.86Å; Y194-L260 HydrophobicContact CD1-CD2 4.07Å; Y229-L260 VanDerWaalsContact CA-O 3.29Å; Y229-L260 WeakPolarHBondContact CA-O 3.36Å; D230-L260 PolarHBondContact N-O 3.18Å; D230-L260 PolarHBondContact OD1-N 3Å; L260-T264 HydrophobicContact CD2-CG2 4.22Å
261G91.4Very high75.1Confident6 Ų652.9 Ų52.96%0.06227%0.268CS..  trans-171.7-148.2-174.200000111.8D226 L263 T264 D265D226-G261 WeakPolarHBondContact OD2-CA 3.47Å; G261-L263 PolarHBondContact O-N 3.19Å; G261-T264 PolarHBondContact N-OG1 3.07Å; G261-T264 PolarHBondContact O-N 3.05Å; G261-T264 PolarHBondContact O-OG1 2.89Å; G261-D265 PolarHBondContact O-N 2.83Å
262K89.8Confident76.2Confident6 Ų651.9 Ų51.93%0.02626%0.258CS..G310 helixtrans-50.9-30.1-169.3-67.5-177.8-176.5173.50116.3R223 L225 D226 T227 T228 T264 H280 I283 G472 E473R223-K262 PolarHBondContact O-NZ 2.99Å; L225-K262 PolarHBondContact O-NZ 2.83Å; D226-K262 PolarHBondContact OD1-N 3.37Å; D226-K262 PolarHBondContact OD2-N 3.5Å; T227-K262 WeakPolarHBondContact OG1-CE 3.45Å; T227-K262 PolarHBondContact OG1-NZ 2.84Å; T228-K262 WeakPolarHBondContact OG1-CG 3.36Å; T228-K262 PolarHBondContact OG1-N 3.46Å; K262-T264 PolarHBondContact O-N 3.11Å; K262-H280 WeakPolarHBondContact CE-O 3.45Å; K262-H280 PolarHBondContact NZ-O 3.17Å; K262-I283 HydrophobicContact CB-CD1 4.28Å; K262-I283 HydrophobicContact CB-CG1 4.13Å; K262-I283 HydrophobicContact CD-CG1 4.27Å; K262-G472 CarbonylContact C-O 3.59Å; K262-G472 VanDerWaalsContact O-O 3.06Å; K262-E473 VanDerWaalsContact O-OE2 3.13Å
263L92.2Very high77.1Confident0 Ų048 Ų480%026%0.258CS..G310 helixtrans-71.4-5.2177.9-59-176.3000114.1Y194 G261 I283 W285 I322 V471 G472 I474Y194-L263 HydrophobicContact CD1-CB 4.36Å; Y194-L263 HydrophobicContact CD2-CD1 4.13Å; Y194-L263 HydrophobicContact CE1-CB 3.93Å; Y194-L263 HydrophobicContact CE1-CD1 4.21Å; Y194-L263 HydrophobicContact CE1-CG 4.21Å; Y194-L263 HydrophobicContact CE2-CD1 3.74Å; Y194-L263 HydrophobicContact CE2-CG 4.44Å; G261-L263 PolarHBondContact O-N 3.19Å; L263-I283 HydrophobicContact CD1-CD1 4.21Å; L263-I283 HydrophobicContact CD2-CD1 3.74Å; L263-I283 HydrophobicContact CD2-CG1 4.22Å; L263-I283 HydrophobicContact CG-CD1 3.62Å; L263-W285 HydrophobicContact CD2-CH2 4.42Å; L263-I322 HydrophobicContact CD1-CD1 4.07Å; L263-V471 HydrophobicContact CD2-CB 4.27Å; L263-V471 HydrophobicContact CD2-CG1 3.96Å; L263-G472 WeakPolarHBondContact CA-O 3.36Å; L263-G472 WeakPolarHBondContact CD2-O 3.44Å; L263-I474 HydrophobicContact CD1-CD1 4.44Å; L263-I474 PolarHBondContact O-N 3Å
264T90.9Very high77.4Confident10 Ų1044.9 Ų44.96%0.06125%0.246CC..G310 helixtrans-147.114.3-167.649.50000113.4I191 Y194 L260 G261 K262 F324 E473I191-T264 HydrophobicContact CD1-CG2 4.1Å; Y194-T264 HydrophobicContact CD1-CG2 4.29Å; L260-T264 HydrophobicContact CD2-CG2 4.22Å; G261-T264 PolarHBondContact N-OG1 3.07Å; G261-T264 PolarHBondContact O-N 3.05Å; G261-T264 PolarHBondContact O-OG1 2.89Å; K262-T264 PolarHBondContact O-N 3.11Å; T264-F324 HydrophobicContact CG2-CE1 3.9Å; T264-E473 WeakPolarHBondContact CA-OE2 3.28Å; T264-E473 PolarHBondContact N-OE2 2.83Å
265D82.7Confident77.4Confident7 Ų743.5 Ų43.54%0.03724%0.239CC..SBendtrans-88.8-8.8-175.375.414000113.4G261 D267 K281 E473G261-D265 PolarHBondContact O-N 2.83Å; D265-D267 VanDerWaalsContact C-N 3.29Å; D265-D267 PolarHBondContact O-N 2.84Å; D265-D267 WeakPolarHBondContact OD1-CB 3.06Å; D265-D267 PolarHBondContact OD1-N 2.91Å; D265-K281 IonicContact OD2-NZ 2.72Å; D265-E473 PolarHBondContact N-OE2 3.08Å; D265-E473 VanDerWaalsContact N-OE2 3.12Å
266N79.7Confident76.8Confident59 Ų5939.4 Ų39.432%0.31622%0.218SC..  trans53.845-177.7-167.79.5000112I96 K98 E473I96-N266 HydrophobicContact CD1-CB 4.17Å; K98-N266 PolarHBondContact NZ-O 3.39Å; N266-E473 VanDerWaalsContact CA-OE1 3.23Å; N266-E473 WeakPolarHBondContact CA-OE1 3.33Å; N266-E473 PolarHBondContact N-OE1 2.88Å; N266-E473 PolarHBondContact N-OE2 2.86Å
267D72.8Confident76.1Confident64 Ų6439 Ų3934%0.34222%0.216SC..  trans-131.997.7171.4-173.63.1000111D265 K281D265-D267 VanDerWaalsContact C-N 3.29Å; D265-D267 PolarHBondContact O-N 2.84Å; D265-D267 WeakPolarHBondContact OD1-CB 3.06Å; D265-D267 PolarHBondContact OD1-N 2.91Å; D267-K281 VanDerWaalsContact CG-CE 3.43Å; D267-K281 WeakPolarHBondContact OD2-CE 3.24Å; D267-K281 IonicContact OD2-NZ 3.11Å; D267-K281 PolarHBondContact OD2-NZ 3.32Å
268T66.6Low75.4Confident12 Ų1239.2 Ų39.27%0.07422%0.224CC..  trans-109.9140.1-17947.20000111.9F270 Y338 W410 E473T268-F270 WeakPolarHBondContact O-CD2 3.38Å; T268-F270 PolarHBondContact O-N 2.62Å; T268-Y338 HydrophobicContact CG2-CD1 4.25Å; T268-Y338 HydrophobicContact CG2-CG 4.32Å; T268-W410 HydrophobicContact CG2-CH2 4.24Å; T268-W410 HydrophobicContact CG2-CZ2 3.85Å; T268-E473 HydrophobicContact CG2-CB 3.46Å; T268-E473 VanDerWaalsContact CG2-CB 3.46Å; T268-E473 HydrophobicContact CG2-CG 4.11Å
269E63.2Low74.9Confident50 Ų5038 Ų3823%0.23421%0.212CC..  trans-69100.2172-80.2-173.3-131.200110.6K271 T274 S279 K281 Y338E269-K271 PolarHBondContact O-N 2.92Å; E269-K271 VanDerWaalsContact O-N 3.08Å; E269-T274 WeakPolarHBondContact OE2-CB 3.36Å; E269-T274 WeakPolarHBondContact OE2-CG2 3.31Å; E269-T274 PolarHBondContact OE2-OG1 2.99Å; E269-S279 VanDerWaalsContact OE1-CB 3.26Å; E269-S279 WeakPolarHBondContact OE1-CB 3.28Å; E269-S279 PolarHBondContact OE1-OG 3.41Å; E269-K281 HydrophobicContact CG-CG 4.11Å; E269-Y338 PolarHBondContact O-OH 3.05Å
270F56.5Low74.3Confident176 Ų17640.5 Ų40.577%0.77222%0.223SC*.  trans-64-7.1172.1-67-84.4000113.8T268 T272T268-F270 WeakPolarHBondContact O-CD2 3.38Å; T268-F270 PolarHBondContact O-N 2.62Å; F270-T272 PolarHBondContact O-N 2.77Å
271K56.4Low73.8Confident80 Ų8042.1 Ų42.135%0.34823%0.23SC..  trans-87.6102.4177.1-81171.5165.8160.80110.6E269 S273 T274 D790E269-K271 PolarHBondContact O-N 2.92Å; E269-K271 VanDerWaalsContact O-N 3.08Å; K271-S273 PolarHBondContact O-N 2.74Å; K271-T274 PolarHBondContact O-N 2.71Å; K271-D790 WeakPolarHBondContact CE-OD2 3.37Å; K271-D790 IonicContact NZ-OD1 3.87Å; K271-D790 PolarHBondContact NZ-OD1 3.15Å; K271-D790 IonicContact NZ-OD2 2.9Å; K271-D790 PolarHBondContact NZ-OD2 2.91Å
272T57.7Low73.7Confident69 Ų6942 Ų4242%0.42323%0.227SC..THydrogen-bonded Turntrans-62.3-19-173.167.90000114.9F270 D407F270-T272 PolarHBondContact O-N 2.77Å; T272-D407 VanDerWaalsContact CB-OD1 3.22Å; T272-D407 WeakPolarHBondContact CB-OD1 3.47Å; T272-D407 PolarHBondContact OG1-OD1 3.3Å
273S58.6Low73.8Confident107 Ų10741.8 Ų41.875%0.74823%0.227SC*.THydrogen-bonded Turntrans-93.9-1.4-172.856.30000115.9K271 S275K271-S273 PolarHBondContact O-N 2.74Å; S273-S275 PolarHBondContact O-N 3.07Å
274T65.5Low73.7Confident37 Ų3741.8 Ų41.823%0.22723%0.227CC..  trans-75.3113.9171.6-40.70000109.7E269 K271E269-T274 WeakPolarHBondContact OE2-CB 3.36Å; E269-T274 WeakPolarHBondContact OE2-CG2 3.31Å; E269-T274 PolarHBondContact OE2-OG1 2.99Å; K271-T274 PolarHBondContact O-N 2.71Å
275S70.9Confident73.7Confident31 Ų3141.7 Ų41.722%0.21723%0.225CC..  trans-58139.4167.7179.70000109.5S273 F277 S278 S279 D342S273-S275 PolarHBondContact O-N 3.07Å; S275-F277 PolarHBondContact O-N 2.84Å; S275-F277 VanDerWaalsContact O-N 3.16Å; S275-S278 CarbonylContact O-C 3.51Å; S275-S278 VanDerWaalsContact O-CA 3.31Å; S275-S278 WeakPolarHBondContact O-CA 3.46Å; S275-S278 VanDerWaalsContact O-CB 3.32Å; S275-S278 WeakPolarHBondContact O-CB 2.99Å; S275-S278 PolarHBondContact O-N 3.2Å; S275-S279 PolarHBondContact O-N 3.03Å; S275-D342 VanDerWaalsContact CB-OD2 3.32Å; S275-D342 WeakPolarHBondContact CB-OD2 3.37Å; S275-D342 PolarHBondContact OG-OD2 2.83Å
276P69.2Low73.9Confident0 Ų048 Ų480%025%0.249CC..G310 helixtrans-62.9-26.8-175.225.1-35.4000112.7S278 S279 F282 S340 D342 L347 A470P276-S278 PolarHBondContact O-N 3.01Å; P276-S279 PolarHBondContact O-N 2.79Å; P276-F282 HydrophobicContact CB-CB 4.18Å; P276-F282 HydrophobicContact CB-CD1 4.39Å; P276-F282 HydrophobicContact CB-CD2 3.68Å; P276-F282 HydrophobicContact CB-CE2 4.12Å; P276-F282 HydrophobicContact CB-CG 3.82Å; P276-S340 VanDerWaalsContact CD-OG 3.32Å; P276-S340 WeakPolarHBondContact CD-OG 3.48Å; P276-S340 WeakPolarHBondContact CG-OG 3.41Å; P276-D342 HydrophobicContact CG-CB 4.47Å; P276-L347 HydrophobicContact CG-CD1 3.83Å; P276-L347 HydrophobicContact CG-CD2 4.28Å; P276-A470 HydrophobicContact CB-CB 4.05Å
277F74.7Confident74.2Confident9 Ų950.4 Ų50.44%0.03925%0.253CS..G310 helixtrans-75-12.1173.3-54.3-30.7000113.3L202 I206 R223 L224 S275 V345 L347 W468L202-F277 HydrophobicContact CD2-CB 4.17Å; L202-F277 HydrophobicContact CD2-CD1 3.7Å; L202-F277 HydrophobicContact CD2-CE1 4.24Å; L202-F277 HydrophobicContact CD2-CG 3.96Å; I206-F277 HydrophobicContact CG2-CB 4.41Å; I206-F277 HydrophobicContact CG2-CD2 3.48Å; I206-F277 VanDerWaalsContact CG2-CD2 3.48Å; I206-F277 HydrophobicContact CG2-CE2 3.87Å; I206-F277 HydrophobicContact CG2-CG 4.06Å; R223-F277 PolarHBondContact NH1-O 2.86Å; L224-F277 HydrophobicContact CD1-CD1 3.85Å; L224-F277 HydrophobicContact CD1-CE1 3.77Å; L224-F277 HydrophobicContact CD2-CD1 4.17Å; L224-F277 HydrophobicContact CG-CD1 4.43Å; S275-F277 PolarHBondContact O-N 2.84Å; S275-F277 VanDerWaalsContact O-N 3.16Å; F277-V345 HydrophobicContact CD2-CB 4.21Å; F277-V345 HydrophobicContact CD2-CG2 3.76Å; F277-V345 HydrophobicContact CE2-CB 3.79Å; F277-V345 HydrophobicContact CE2-CG2 3.36Å; F277-V345 HydrophobicContact CZ-CG2 4.26Å; F277-L347 HydrophobicContact CE1-CD1 3.81Å; F277-L347 HydrophobicContact CZ-CD1 3.85Å; F277-W468 HydrophobicContact CE1-CD2 4.42Å; F277-W468 HydrophobicContact CE1-CE3 4.42Å; F277-W468 HydrophobicContact CZ-CB 4.4Å; F277-W468 HydrophobicContact CZ-CD2 4.08Å; F277-W468 HydrophobicContact CZ-CG 4.01Å
278S71.9Confident74.4Confident65 Ų6552.1 Ų52.146%0.45526%0.257SS..G310 helixtrans-99.7-2.1172.8-65.60000113.8R223 S275 P276R223-S278 VanDerWaalsContact CZ-C 3.49Å; R223-S278 VanDerWaalsContact NH1-CA 3.35Å; R223-S278 VanDerWaalsContact NH2-C 3.32Å; R223-S278 PolarHBondContact NH2-O 2.87Å; S275-S278 CarbonylContact O-C 3.51Å; S275-S278 VanDerWaalsContact O-CA 3.31Å; S275-S278 WeakPolarHBondContact O-CA 3.46Å; S275-S278 VanDerWaalsContact O-CB 3.32Å; S275-S278 WeakPolarHBondContact O-CB 2.99Å; S275-S278 PolarHBondContact O-N 3.2Å; P276-S278 PolarHBondContact O-N 3.01Å
279S76.6Confident74.2Confident3 Ų356 Ų562%0.02129%0.285CS..  trans-103.9170.2179.6175.60000111.9R223 E269 S275 P276 K281R223-S279 PolarHBondContact NE-O 3.38Å; E269-S279 VanDerWaalsContact OE1-CB 3.26Å; E269-S279 WeakPolarHBondContact OE1-CB 3.28Å; E269-S279 PolarHBondContact OE1-OG 3.41Å; S275-S279 PolarHBondContact O-N 3.03Å; P276-S279 PolarHBondContact O-N 2.79Å; S279-K281 PolarHBondContact OG-N 2.7Å
280H79.6Confident73.6Confident51 Ų5157.2 Ų57.224%0.23630%0.299CS..SBendtrans-114.9-4164-68.9-105.8000112.8N219 R223 K262N219-H280 PolarHBondContact OD1-CE1 3.37Å; R223-H280 PolarHBondContact NE-NE2 3.22Å; R223-H280 PolarHBondContact NH2-CD2 2.84Å; R223-H280 VanDerWaalsContact NH2-CD2 3.26Å; R223-H280 PolarHBondContact NH2-NE2 2.87Å; K262-H280 WeakPolarHBondContact CE-O 3.45Å; K262-H280 PolarHBondContact NZ-O 3.17Å
281K83.3Confident72.9Confident42 Ų4254 Ų5418%0.18329%0.294CS..SBendtrans-84.7-20.4-175.3-67.6-54.9-164175.50114.4D265 D267 E269 S279D265-K281 IonicContact OD2-NZ 2.72Å; D267-K281 VanDerWaalsContact CG-CE 3.43Å; D267-K281 WeakPolarHBondContact OD2-CE 3.24Å; D267-K281 IonicContact OD2-NZ 3.11Å; D267-K281 PolarHBondContact OD2-NZ 3.32Å; E269-K281 HydrophobicContact CG-CG 4.11Å; S279-K281 PolarHBondContact OG-N 2.7Å
282F88.3Confident71.9Confident4 Ų460 Ų602%0.01831%0.314CS..  trans-88.2132.2178.1-68.7-85.7000112.2L224 P276 Y338 A470 V471L224-F282 WeakPolarHBondContact CA-O 3.36Å; P276-F282 HydrophobicContact CB-CB 4.18Å; P276-F282 HydrophobicContact CB-CD1 4.39Å; P276-F282 HydrophobicContact CB-CD2 3.68Å; P276-F282 HydrophobicContact CB-CE2 4.12Å; P276-F282 HydrophobicContact CB-CG 3.82Å; F282-Y338 AromaticContact CE1-CD1 3.97Å; F282-Y338 HydrophobicContact CE1-CD1 3.97Å; F282-Y338 AromaticContact CE1-CE1 3.91Å; F282-Y338 HydrophobicContact CE1-CE1 3.91Å; F282-Y338 HydrophobicContact CZ-CD1 4.1Å; F282-Y338 AromaticContact CZ-CE1 3.56Å; F282-Y338 HydrophobicContact CZ-CE1 3.56Å; F282-A470 HydrophobicContact CB-CB 4.05Å; F282-A470 HydrophobicContact CD1-CB 3.92Å; F282-A470 HydrophobicContact CG-CB 4.23Å; F282-V471 WeakPolarHBondContact CA-O 3.49Å
283I91.6Very high70.8Confident2 Ų262.3 Ų62.31%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-83.3133.8155.6-50.7179.9000107.6L224 D226 K262 L263 W285 A470 V471L224-I283 WeakPolarHBondContact O-CA 3.36Å; L224-I283 WeakPolarHBondContact O-CG2 3.04Å; D226-I283 HydrophobicContact CB-CD1 3.77Å; D226-I283 HydrophobicContact CB-CG1 4.36Å; K262-I283 HydrophobicContact CB-CD1 4.28Å; K262-I283 HydrophobicContact CB-CG1 4.13Å; K262-I283 HydrophobicContact CD-CG1 4.27Å; L263-I283 HydrophobicContact CD1-CD1 4.21Å; L263-I283 HydrophobicContact CD2-CD1 3.74Å; L263-I283 HydrophobicContact CD2-CG1 4.22Å; L263-I283 HydrophobicContact CG-CD1 3.62Å; I283-W285 HydrophobicContact CB-CH2 3.64Å; I283-W285 HydrophobicContact CB-CZ2 4.01Å; I283-W285 HydrophobicContact CB-CZ3 4.02Å; I283-W285 HydrophobicContact CD1-CH2 4.5Å; I283-W285 HydrophobicContact CG2-CD2 4.25Å; I283-W285 HydrophobicContact CG2-CE3 4.37Å; I283-W285 HydrophobicContact CG2-CH2 3.52Å; I283-W285 HydrophobicContact CG2-CZ2 3.35Å; I283-W285 HydrophobicContact CG2-CZ3 4.02Å; I283-W285 WeakPolarHBondContact O-CZ3 3.16Å; I283-A470 VanDerWaalsContact O-CA 3.3Å; I283-A470 WeakPolarHBondContact O-CA 3.14Å; I283-V471 PolarHBondContact N-O 2.98Å; I283-V471 PolarHBondContact O-N 3.38Å
284G90.7Very high69.6Low0 Ų065 Ų650%034%0.336CS..EExtended strand (participates in β ladder)trans-124.3135.7-177.400000112.7G199 A200 L224 L469G199-G284 WeakPolarHBondContact CA-O 3.28Å; A200-G284 PolarHBondContact N-O 2.95Å; L224-G284 PolarHBondContact O-N 2.04Å; G284-L469 CarbonylContact C-O 2.97Å; G284-L469 WeakPolarHBondContact CA-O 3.43Å
285W91.3Very high68.1Low8 Ų867.8 Ų67.83%0.0336%0.357CS..EExtended strand (participates in β ladder)trans-122.8145.6176.3-57.4-92.6000110.7P197 E198 L263 I283 L320 F464 W468 L469 V471P197-W285 PolarHBondContact O-NE1 3.47Å; E198-W285 VanDerWaalsContact O-CD1 3.31Å; E198-W285 PolarHBondContact O-NE1 2.88Å; L263-W285 HydrophobicContact CD2-CH2 4.42Å; I283-W285 HydrophobicContact CB-CH2 3.64Å; I283-W285 HydrophobicContact CB-CZ2 4.01Å; I283-W285 HydrophobicContact CB-CZ3 4.02Å; I283-W285 HydrophobicContact CD1-CH2 4.5Å; I283-W285 HydrophobicContact CG2-CD2 4.25Å; I283-W285 HydrophobicContact CG2-CE3 4.37Å; I283-W285 HydrophobicContact CG2-CH2 3.52Å; I283-W285 HydrophobicContact CG2-CZ2 3.35Å; I283-W285 HydrophobicContact CG2-CZ3 4.02Å; I283-W285 WeakPolarHBondContact O-CZ3 3.16Å; W285-L320 HydrophobicContact CD2-CD1 3.81Å; W285-L320 HydrophobicContact CD2-CD2 3.59Å; W285-L320 HydrophobicContact CD2-CG 4.33Å; W285-L320 HydrophobicContact CE3-CD2 3.46Å; W285-L320 VanDerWaalsContact CE3-CD2 3.46Å; W285-L320 HydrophobicContact CG-CD1 3.89Å; W285-L320 HydrophobicContact CG-CD2 4.35Å; W285-L320 HydrophobicContact CH2-CD2 3.66Å; W285-L320 HydrophobicContact CZ2-CD1 4.14Å; W285-L320 HydrophobicContact CZ2-CD2 3.79Å; W285-L320 HydrophobicContact CZ3-CD2 3.5Å; W285-F464 HydrophobicContact CB-CE1 4.45Å; W285-F464 HydrophobicContact CB-CZ 4.02Å; W285-W468 WeakPolarHBondContact O-CA 3.2Å; W285-L469 PolarHBondContact N-O 2.92Å; W285-L469 PolarHBondContact O-N 2.78Å; W285-V471 HydrophobicContact CH2-CB 4.48Å; W285-V471 HydrophobicContact CZ3-CB 3.99Å; W285-V471 HydrophobicContact CZ3-CG2 3.98Å
286R87.5Confident66.3Low140 Ų14074.1 Ų74.153%0.52839%0.385SS..EExtended strand (participates in β ladder)trans-104.2130.9176.7-166.2179-177.9-174-0.1110.1A200 K288 Q467 W468A200-R286 HydrophobicContact CB-CB 4.25Å; R286-K288 PolarHBondContact O-N 2.87Å; R286-Q467 WeakPolarHBondContact CA-O 3.4Å; R286-W468 HydrophobicContact CB-CD2 4.21Å; R286-W468 HydrophobicContact CB-CE3 3.93Å; R286-W468 HydrophobicContact CB-CH2 4Å; R286-W468 HydrophobicContact CB-CZ2 4.25Å; R286-W468 HydrophobicContact CB-CZ3 3.84Å; R286-W468 HydrophobicContact CG-CD2 4.19Å; R286-W468 HydrophobicContact CG-CE3 4.42Å; R286-W468 HydrophobicContact CG-CH2 4.31Å; R286-W468 HydrophobicContact CG-CZ2 4.05Å; R286-W468 HydrophobicContact CG-CZ3 4.49Å
287R86.3Confident64.8Low108 Ų10879.8 Ų79.841%0.40842%0.42SS..PPolyproline II helixtrans-61.4128.5174.5-166.5-176.4-174-149.2-0.8109.5D318 F464 Q467R287-D318 IonicContact CZ-OD1 3.35Å; R287-D318 IonicContact NE-OD1 3.3Å; R287-D318 PolarHBondContact NE-OD1 3.06Å; R287-D318 IonicContact NH2-OD1 2.69Å; R287-D318 PolarHBondContact NH2-OD1 3.47Å; R287-D318 IonicContact NH2-OD2 3.09Å; R287-F464 HydrophobicContact CB-CB 4.29Å; R287-F464 HydrophobicContact CB-CD1 3.76Å; R287-F464 HydrophobicContact CB-CD2 4.38Å; R287-F464 HydrophobicContact CB-CE1 4.12Å; R287-F464 HydrophobicContact CB-CG 3.9Å; R287-F464 HydrophobicContact CG-CB 3.91Å; R287-F464 HydrophobicContact CG-CD1 4.26Å; R287-F464 HydrophobicContact CG-CD2 4.18Å; R287-F464 HydrophobicContact CG-CG 3.87Å; R287-Q467 PolarHBondContact N-O 2.86Å
288K75.3Confident62.8Low100 Ų10086.8 Ų86.844%0.43546%0.457SS..PPolyproline II helixtrans-69132.7174.5-71.6174.7169176.30109.1R286R286-K288 PolarHBondContact O-N 2.87Å
289S62.4Low61.3Low93 Ų9387.7 Ų87.765%0.6546%0.463SS*.PPolyproline II helixtrans-81.5118.1178.252.40000110.7T291S289-T291 PolarHBondContact O-N 2.85Å; S289-T291 PolarHBondContact O-OG1 2.65Å; S289-T291 PolarHBondContact OG-OG1 3.12Å
290S52.1Low59.6Low76 Ų7694.2 Ų94.253%0.53150%0.498SS..  trans-71.276.8167.5-1670000109.4E314S290-E314 PolarHBondContact OG-OE1 3.27Å
291T40.8Very low57.7Low108 Ų108101.6 Ų101.666%0.66353%0.529SS*.  trans-124.659179.549.80000109.8S289S289-T291 PolarHBondContact O-N 2.85Å; S289-T291 PolarHBondContact O-OG1 2.65Å; S289-T291 PolarHBondContact OG-OG1 3.12Å
292R35.8Very low55.7Low207 Ų207102.3 Ų102.378%0.78154%0.539SS*.  trans-64.6137.2155.5-75.4-174.6173176.4-0.1108L294R292-L294 PolarHBondContact O-N 3.5Å
293P34.6Very low53.2Low118 Ų118107.6 Ų107.677%0.76657%0.567SS**  trans-61.8130.1172.326.3-33.2000109.5S295P293-S295 PolarHBondContact O-N 2.89Å
294L33.2Very low50.9Low163 Ų163113.5 Ų113.585%0.85360%0.603SS**  trans-7279.4175-86.3162.8000110.1R292 M296R292-L294 PolarHBondContact O-N 3.5Å; L294-M296 VanDerWaalsContact C-N 3.31Å; L294-M296 PolarHBondContact O-N 2.98Å
295S34.4Very low48.3Very low95 Ų95117.2 Ų117.266%0.66463%0.629SS**  trans-68.290.1167.159.30000109.1P293 T297P293-S295 PolarHBondContact O-N 2.89Å; S295-T297 PolarHBondContact O-N 3.49Å
296M33Very low45.7Very low165 Ų165119.6 Ų119.681%0.81364%0.644SS**  trans-72.558179.6-67.5-165-68.100112.9L294 L298L294-M296 VanDerWaalsContact C-N 3.31Å; L294-M296 PolarHBondContact O-N 2.98Å; M296-L298 VanDerWaalsContact C-N 3.28Å; M296-L298 PolarHBondContact O-N 3.47Å
297T36.8Very low43.2Very low119 Ų119117.2 Ų117.273%0.7364%0.642SS**  trans-79.779.2165.450.70000109.1S295 S299S295-T297 PolarHBondContact O-N 3.49Å; T297-S299 PolarHBondContact O-N 2.87Å
298L32.5Very low41Very low156 Ų156116.9 Ų116.982%0.81765%0.652SS**  trans-67.498.8-175.6-156.783.1000110.9M296M296-L298 VanDerWaalsContact C-N 3.28Å; M296-L298 PolarHBondContact O-N 3.47Å
299S40.7Very low39.4Very low83 Ų83115.7 Ų115.758%0.5866%0.656SS**  trans-119.7118.1172.978.10000111.1T297 K301T297-S299 PolarHBondContact O-N 2.87Å; S299-K301 PolarHBondContact O-N 2.97Å
300N40.8Very low38.1Very low141 Ų141114.5 Ų114.575%0.75464%0.642SS**THydrogen-bonded Turntrans-76.736.2-166.8-80-11.5000114.7
301K40.1Very low37.4Very low206 Ų206115.9 Ų115.990%0.89664%0.64SS**THydrogen-bonded Turntrans-136.60.4-171.7-71.5-166.3174.6-176.20118.3S299S299-K301 PolarHBondContact O-N 2.97Å
302S42Very low37.1Very low56 Ų56115.2 Ų115.239%0.39263%0.633SS.*SBendtrans-134.310.3176.868.40000116.2V304 S305 T306S302-V304 VanDerWaalsContact C-N 3.32Å; S302-V304 PolarHBondContact O-N 3.36Å; S302-S305 PolarHBondContact O-N 3.29Å; S302-S305 PolarHBondContact O-OG 3.07Å; S302-T306 PolarHBondContact O-N 3.06Å; S302-T306 PolarHBondContact O-OG1 3.1Å
303L35.8Very low37.2Very low115 Ų115108.8 Ų108.860%0.60262%0.623SS**Hα-helixtrans-57.2-39.5-171.7-113.9164.2000113.9L307L303-L307 HydrophobicContact CD2-CD1 4.46Å; L303-L307 WeakPolarHBondContact O-CD1 3.4Å; L303-L307 WeakPolarHBondContact O-CG 3.39Å
304V42.1Very low37.3Very low126 Ų126107.7 Ų107.776%0.76461%0.608SS**Hα-helixtrans-73.9-38.3-174.1-176.30000113.1S302S302-V304 VanDerWaalsContact C-N 3.32Å; S302-V304 PolarHBondContact O-N 3.36Å
305S37.3Very low37.8Very low79 Ų79105.7 Ų105.755%0.55260%0.596SS**Hα-helixtrans-81.9-17.2-179.951.70000113.9S302 S309S302-S305 PolarHBondContact O-N 3.29Å; S302-S305 PolarHBondContact O-OG 3.07Å; S305-S309 PolarHBondContact O-OG 3.42Å
306T36.6Very low38.7Very low57 Ų57105.6 Ų105.635%0.3559%0.585SS.*Hα-helixtrans-85.2-23.9179.9-44.90000112S302 N310S302-T306 PolarHBondContact O-N 3.06Å; S302-T306 PolarHBondContact O-OG1 3.1Å; T306-N310 WeakPolarHBondContact O-CB 3.43Å; T306-N310 VanDerWaalsContact O-CG 3.3Å; T306-N310 PolarHBondContact O-N 3.42Å; T306-N310 PolarHBondContact O-ND2 3.49Å
307L34.1Very low39.9Very low90 Ų9099.4 Ų99.447%0.47156%0.558SS.*Hα-helixtrans-72-43.5178.8-75.7163.7000112.8L303 S309 H311L303-L307 HydrophobicContact CD2-CD1 4.46Å; L303-L307 WeakPolarHBondContact O-CD1 3.4Å; L303-L307 WeakPolarHBondContact O-CG 3.39Å; L307-S309 PolarHBondContact O-N 3.28Å; L307-H311 PolarHBondContact O-CD2 3.5Å; L307-H311 VanDerWaalsContact O-CD2 3.24Å; L307-H311 PolarHBondContact O-N 3.17Å
308T41Very low42Very low102 Ų10295 Ų9563%0.62653%0.53SS*.Hα-helixtrans-73.3-24.9-173.251.70000114.2
309S40.8Very low44.6Very low74 Ų7489 Ų8952%0.51750%0.497SS..Hα-helixtrans-86.6-33.9175.353.50000113S305 L307S305-S309 PolarHBondContact O-OG 3.42Å; L307-S309 PolarHBondContact O-N 3.28Å
310N36.5Very low47Very low69 Ų6985.3 Ų85.337%0.36947%0.471SS..Hα-helixtrans-70.6-38.8-179.6-80.4-19.4000113.4T306 N312 A313 E314T306-N310 WeakPolarHBondContact O-CB 3.43Å; T306-N310 VanDerWaalsContact O-CG 3.3Å; T306-N310 PolarHBondContact O-N 3.42Å; T306-N310 PolarHBondContact O-ND2 3.49Å; N310-N312 VanDerWaalsContact C-N 3.27Å; N310-N312 PolarHBondContact O-N 3.34Å; N310-A313 PolarHBondContact O-N 3.41Å; N310-A313 VanDerWaalsContact O-N 3.1Å; N310-E314 PolarHBondContact O-N 3.2Å; N310-E314 VanDerWaalsContact O-N 3.16Å
311H35.7Very low49.3Very low105 Ų10580.8 Ų80.849%0.48644%0.443SS..Hα-helixtrans-56.7-36.8-175.3-78.8-42000113.9L307 A313 E314 M315L307-H311 PolarHBondContact O-CD2 3.5Å; L307-H311 VanDerWaalsContact O-CD2 3.24Å; L307-H311 PolarHBondContact O-N 3.17Å; H311-A313 VanDerWaalsContact C-N 3.34Å; H311-A313 PolarHBondContact O-N 3.24Å; H311-E314 PolarHBondContact O-N 3.36Å; H311-M315 WeakPolarHBondContact O-CG 3.44Å; H311-M315 PolarHBondContact O-N 3.48Å
312N36.1Very low51.9Low94 Ų9471 Ų7150%0.50340%0.401SS..Hα-helixtrans-65.8-37.2-179.8-65.7-10.3000112.2N310N310-N312 VanDerWaalsContact C-N 3.27Å; N310-N312 PolarHBondContact O-N 3.34Å
313A36.3Very low54.3Low71 Ų7168.9 Ų68.959%0.58739%0.385SS*.Hα-helixtrans-75.5-30.7178.100000112.7N310 H311N310-A313 PolarHBondContact O-N 3.41Å; N310-A313 VanDerWaalsContact O-N 3.1Å; H311-A313 VanDerWaalsContact C-N 3.34Å; H311-A313 PolarHBondContact O-N 3.24Å
314E37.6Very low57.2Low96 Ų9663.4 Ų63.445%0.44936%0.356SS..Hα-helixtrans-71.3-39.6172.7-71.6-161.6114.500112.2S290 N310 H311 E316 S317S290-E314 PolarHBondContact OG-OE1 3.27Å; N310-E314 PolarHBondContact O-N 3.2Å; N310-E314 VanDerWaalsContact O-N 3.16Å; H311-E314 PolarHBondContact O-N 3.36Å; E314-E316 VanDerWaalsContact C-N 3.33Å; E314-E316 PolarHBondContact O-N 3.13Å; E314-S317 WeakPolarHBondContact O-CB 3.29Å; E314-S317 PolarHBondContact O-N 3.24Å; E314-S317 VanDerWaalsContact O-N 3.15Å; E314-S317 PolarHBondContact O-OG 3.35Å
315M44Very low59.6Low120 Ų12059.5 Ų59.559%0.59133%0.328SS*.Hα-helixtrans-58.3-40.8179.5-77.7-170.473.400113.3H311 S317 D318 F319H311-M315 WeakPolarHBondContact O-CG 3.44Å; H311-M315 PolarHBondContact O-N 3.48Å; M315-S317 VanDerWaalsContact C-N 3.25Å; M315-S317 PolarHBondContact O-N 2.8Å; M315-D318 PolarHBondContact O-N 2.62Å; M315-F319 WeakPolarHBondContact O-CD1 3.31Å; M315-F319 VanDerWaalsContact O-CE1 3.23Å; M315-F319 WeakPolarHBondContact O-CE1 3.36Å
316E53.1Low62.4Low94 Ų9455.8 Ų55.844%0.43930%0.302SS..Hα-helixtrans-71.7-17.3-178.8-165.2166.3-127.300113.4E314 D318 F319E314-E316 VanDerWaalsContact C-N 3.33Å; E314-E316 PolarHBondContact O-N 3.13Å; E316-D318 PolarHBondContact O-N 3.14Å; E316-F319 HydrophobicContact CG-CZ 4.37Å
317S58.7Low65Low35 Ų3555.3 Ų55.325%0.24530%0.297CS..THydrogen-bonded Turntrans-74.3-9.9173.5760000114.2E314 M315E314-S317 WeakPolarHBondContact O-CB 3.29Å; E314-S317 PolarHBondContact O-N 3.24Å; E314-S317 VanDerWaalsContact O-N 3.15Å; E314-S317 PolarHBondContact O-OG 3.35Å; M315-S317 VanDerWaalsContact C-N 3.25Å; M315-S317 PolarHBondContact O-N 2.8Å
318D81Confident67.6Low25 Ų2552.4 Ų52.413%0.13428%0.282CS..THydrogen-bonded Turntrans-117.93.7-159.8-15523.9000114.7R287 M315 E316 R351 F464R287-D318 IonicContact CZ-OD1 3.35Å; R287-D318 IonicContact NE-OD1 3.3Å; R287-D318 PolarHBondContact NE-OD1 3.06Å; R287-D318 IonicContact NH2-OD1 2.69Å; R287-D318 PolarHBondContact NH2-OD1 3.47Å; R287-D318 IonicContact NH2-OD2 3.09Å; M315-D318 PolarHBondContact O-N 2.62Å; E316-D318 PolarHBondContact O-N 3.14Å; D318-R351 IonicContact OD1-NH1 3.46Å; D318-R351 PolarHBondContact OD1-NH1 3.43Å; D318-R351 VanDerWaalsContact OD1-NH1 3.14Å; D318-R351 IonicContact OD2-CZ 2.69Å; D318-R351 IonicContact OD2-NH1 2.73Å; D318-R351 PolarHBondContact OD2-NH1 3.34Å; D318-R351 IonicContact OD2-NH2 3.23Å; D318-R351 PolarHBondContact OD2-NH2 2.69Å; D318-F464 PolarHBondContact O-N 3.47Å
319F87Confident70Confident30 Ų3049.2 Ų49.213%0.13226%0.26CS..EExtended strand (participates in β ladder)trans-138.6147169.761-92.3000112.5M315 E316 R321 R461 I462 F463M315-F319 WeakPolarHBondContact O-CD1 3.31Å; M315-F319 VanDerWaalsContact O-CE1 3.23Å; M315-F319 WeakPolarHBondContact O-CE1 3.36Å; E316-F319 HydrophobicContact CG-CZ 4.37Å; F319-R321 HydrophobicContact CD2-CB 4.26Å; F319-R321 HydrophobicContact CE2-CB 4.13Å; F319-R461 HydrophobicContact CB-CB 4.46Å; F319-R461 HydrophobicContact CD2-CB 3.8Å; F319-R461 HydrophobicContact CD2-CG 4.15Å; F319-R461 HydrophobicContact CE2-CB 4.37Å; F319-R461 HydrophobicContact CE2-CG 4.23Å; F319-R461 HydrophobicContact CG-CB 4.27Å; F319-I462 CarbonylContact C-O 3.53Å; F319-I462 VanDerWaalsContact CA-O 3.31Å; F319-I462 WeakPolarHBondContact CA-O 3.45Å; F319-F463 HydrophobicContact CB-CD1 3.77Å; F319-F463 HydrophobicContact CB-CD2 4.26Å; F319-F463 HydrophobicContact CB-CE1 3.92Å; F319-F463 HydrophobicContact CB-CE2 4.39Å; F319-F463 HydrophobicContact CB-CG 3.96Å; F319-F463 HydrophobicContact CB-CZ 4.23Å; F319-F463 HydrophobicContact CD1-CD1 4.25Å; F319-F463 AromaticContact CD1-CE1 3.64Å; F319-F463 HydrophobicContact CD1-CE1 3.64Å; F319-F463 HydrophobicContact CD1-CZ 4.01Å; F319-F463 HydrophobicContact CG-CD1 4.44Å; F319-F463 HydrophobicContact CG-CE1 4.1Å; F319-F463 HydrophobicContact CG-CZ 4.26Å
320L90.3Very high72.4Confident6 Ų646.5 Ų46.53%0.03124%0.239CC..EExtended strand (participates in β ladder)trans-78.6139.8161.2175.967.6000108.7P197 W285 I322 R461 I462 F464 L469P197-L320 HydrophobicContact CB-CD1 4.36Å; P197-L320 HydrophobicContact CG-CD1 3.93Å; W285-L320 HydrophobicContact CD2-CD1 3.81Å; W285-L320 HydrophobicContact CD2-CD2 3.59Å; W285-L320 HydrophobicContact CD2-CG 4.33Å; W285-L320 HydrophobicContact CE3-CD2 3.46Å; W285-L320 VanDerWaalsContact CE3-CD2 3.46Å; W285-L320 HydrophobicContact CG-CD1 3.89Å; W285-L320 HydrophobicContact CG-CD2 4.35Å; W285-L320 HydrophobicContact CH2-CD2 3.66Å; W285-L320 HydrophobicContact CZ2-CD1 4.14Å; W285-L320 HydrophobicContact CZ2-CD2 3.79Å; W285-L320 HydrophobicContact CZ3-CD2 3.5Å; L320-I322 HydrophobicContact CD2-CD1 3.97Å; L320-I322 HydrophobicContact CD2-CG1 4.24Å; L320-I322 HydrophobicContact CG-CD1 4.43Å; L320-I322 HydrophobicContact CG-CG1 4.17Å; L320-R461 CarbonylContact O-C 3.39Å; L320-R461 VanDerWaalsContact O-CA 3.24Å; L320-R461 WeakPolarHBondContact O-CA 3.31Å; L320-I462 HydrophobicContact CB-CB 4.37Å; L320-I462 PolarHBondContact N-O 2.96Å; L320-I462 PolarHBondContact O-N 2.97Å; L320-F464 HydrophobicContact CB-CE2 4.43Å; L320-L469 HydrophobicContact CB-CD2 4.1Å; L320-L469 HydrophobicContact CD2-CD2 3.92Å
321R89.7Confident74.9Confident46 Ų4644 Ų4417%0.17423%0.226CC..EExtended strand (participates in β ladder)trans-117.6127.4176.4-174.1-177.1-176.9-153.8-5.7109.7P197 F319 Y366 E459P197-R321 WeakPolarHBondContact CD-O 3.17Å; F319-R321 HydrophobicContact CD2-CB 4.26Å; F319-R321 HydrophobicContact CE2-CB 4.13Å; R321-Y366 VanDerWaalsContact NH1-CG 3.34Å; R321-E459 HydrophobicContact CG-CG 4.44Å; R321-E459 IonicContact CZ-OE1 2.68Å; R321-E459 IonicContact NE-OE1 3.18Å; R321-E459 PolarHBondContact NE-OE1 3.01Å; R321-E459 IonicContact NH2-OE1 2.77Å; R321-E459 PolarHBondContact NH2-OE1 3.04Å
322I93.3Very high77.6Confident0 Ų039 Ų390%020%0.202CC..EExtended strand (participates in β ladder)trans-128.5137.5174.9-51.6170000108.1Y194 K195 A196 L263 L320 F324 E459 I460 I462 I474Y194-I322 HydrophobicContact CD2-CG2 4.26Å; K195-I322 CarbonylContact O-C 3.56Å; K195-I322 WeakPolarHBondContact O-CA 3.37Å; A196-I322 HydrophobicContact CB-CG1 4.17Å; A196-I322 HydrophobicContact CB-CG2 4.28Å; L263-I322 HydrophobicContact CD1-CD1 4.07Å; L320-I322 HydrophobicContact CD2-CD1 3.97Å; L320-I322 HydrophobicContact CD2-CG1 4.24Å; L320-I322 HydrophobicContact CG-CD1 4.43Å; L320-I322 HydrophobicContact CG-CG1 4.17Å; I322-F324 HydrophobicContact CB-CE2 4.18Å; I322-F324 HydrophobicContact CG2-CD2 3.92Å; I322-F324 HydrophobicContact CG2-CE2 3.33Å; I322-F324 HydrophobicContact CG2-CZ 3.83Å; I322-E459 CarbonylContact O-C 3.48Å; I322-E459 WeakPolarHBondContact O-CA 3.38Å; I322-I460 PolarHBondContact N-O 3.18Å; I322-I460 PolarHBondContact O-N 2.63Å; I322-I462 HydrophobicContact CD1-CD1 4.3Å; I322-I474 HydrophobicContact CD1-CD1 3.93Å
323I93.6Very high80.1Confident12 Ų1236.4 Ų36.46%0.06219%0.191CC..EExtended strand (participates in β ladder)trans-125.2122.3177.6-51.8165.1000108.4Y194 K195 P362 S363 E459Y194-I323 CarbonylContact C-O 3.55Å; Y194-I323 VanDerWaalsContact CA-O 3.31Å; Y194-I323 WeakPolarHBondContact CA-O 3.33Å; K195-I323 HydrophobicContact CB-CB 4.36Å; K195-I323 PolarHBondContact N-O 3.11Å; K195-I323 PolarHBondContact O-N 3.11Å; I323-P362 HydrophobicContact CD1-CG 4.31Å; I323-P362 HydrophobicContact CG2-CG 3.89Å; I323-S363 WeakPolarHBondContact CD1-OG 3.38Å; I323-E459 HydrophobicContact CG1-CG 4.34Å
324F95.5Very high82.7Confident0 Ų033.3 Ų33.30%017%0.165CC..EExtended strand (participates in β ladder)trans-101.8140.3175.3-67.7-98.3000110.3I191 Y194 T264 I322 F326 F457 V458 I460 I474 F476I191-F324 HydrophobicContact CG2-CD1 4.13Å; Y194-F324 HydrophobicContact CD1-CE1 4.42Å; Y194-F324 HydrophobicContact CG-CE1 4.22Å; T264-F324 HydrophobicContact CG2-CE1 3.9Å; I322-F324 HydrophobicContact CB-CE2 4.18Å; I322-F324 HydrophobicContact CG2-CD2 3.92Å; I322-F324 HydrophobicContact CG2-CE2 3.33Å; I322-F324 HydrophobicContact CG2-CZ 3.83Å; F324-F326 HydrophobicContact CB-CE2 3.8Å; F324-F457 VanDerWaalsContact O-CA 3.32Å; F324-F457 WeakPolarHBondContact O-CA 3.27Å; F324-V458 PolarHBondContact N-O 3.36Å; F324-V458 PolarHBondContact O-N 3.21Å; F324-I460 HydrophobicContact CD2-CD1 4.37Å; F324-I460 HydrophobicContact CE2-CD1 3.96Å; F324-I474 HydrophobicContact CE2-CD1 4.21Å; F324-I474 HydrophobicContact CE2-CG2 4.24Å; F324-I474 HydrophobicContact CZ-CB 4.02Å; F324-I474 HydrophobicContact CZ-CD1 3.96Å; F324-I474 HydrophobicContact CZ-CG2 3.94Å; F324-F476 HydrophobicContact CB-CZ 4.22Å; F324-F476 AromaticContact CD1-CE2 3.75Å; F324-F476 HydrophobicContact CD1-CE2 3.75Å; F324-F476 AromaticContact CD1-CZ 3.83Å; F324-F476 HydrophobicContact CD1-CZ 3.83Å; F324-F476 HydrophobicContact CD2-CE2 4.31Å; F324-F476 AromaticContact CD2-CZ 3.59Å; F324-F476 HydrophobicContact CD2-CZ 3.59Å; F324-F476 AromaticContact CE1-CE2 3.78Å; F324-F476 HydrophobicContact CE1-CE2 3.78Å; F324-F476 HydrophobicContact CE1-CZ 4.04Å; F324-F476 HydrophobicContact CE2-CE2 4.33Å; F324-F476 AromaticContact CE2-CZ 3.8Å; F324-F476 HydrophobicContact CE2-CZ 3.8Å; F324-F476 HydrophobicContact CG-CE2 4.02Å; F324-F476 AromaticContact CG-CZ 3.61Å; F324-F476 HydrophobicContact CG-CZ 3.61Å; F324-F476 HydrophobicContact CZ-CE2 4.08Å; F324-F476 HydrophobicContact CZ-CZ 4.02Å
325R94.3Very high85.4Confident45 Ų4528.7 Ų28.717%0.1714%0.144CC..EExtended strand (participates in β ladder)trans-113.8133.1171.5179.1173.776.392.6-2.5109.9E125 L192 E193 F457E125-R325 VanDerWaalsContact CD-NH1 3.32Å; E125-R325 IonicContact OE1-CZ 2.82Å; E125-R325 IonicContact OE1-NH1 3.13Å; E125-R325 PolarHBondContact OE1-NH1 3.44Å; E125-R325 IonicContact OE1-NH2 2.66Å; E125-R325 IonicContact OE2-CZ 2.66Å; E125-R325 IonicContact OE2-NH1 2.71Å; E125-R325 PolarHBondContact OE2-NH1 3.08Å; E125-R325 IonicContact OE2-NH2 3.84Å; E125-R325 PolarHBondContact OE2-NH2 3.18Å; L192-R325 VanDerWaalsContact CD1-NH1 3.28Å; L192-R325 PolarHBondContact N-O 3.46Å; E193-R325 VanDerWaalsContact CD-NE 3.26Å; E193-R325 HydrophobicContact CG-CB 3.72Å; E193-R325 PolarHBondContact O-N 3.22Å; E193-R325 IonicContact OE1-NE 3.48Å; E193-R325 IonicContact OE2-CZ 3.7Å; E193-R325 VanDerWaalsContact OE2-CZ 3.23Å; E193-R325 IonicContact OE2-NE 2.73Å; E193-R325 PolarHBondContact OE2-NE 3.2Å; E193-R325 IonicContact OE2-NH2 3.58Å; E193-R325 PolarHBondContact OE2-NH2 3.13Å; R325-F457 HydrophobicContact CB-CD1 3.99Å; R325-F457 HydrophobicContact CB-CE1 3.74Å; R325-F457 HydrophobicContact CB-CZ 4.5Å; R325-F457 HydrophobicContact CG-CD1 4.17Å; R325-F457 HydrophobicContact CG-CE1 3.54Å; R325-F457 HydrophobicContact CG-CZ 3.81Å
326F94.1Very high87.7Confident0 Ų028 Ų280%014%0.135CC..EExtended strand (participates in β ladder)trans-107.1158.5177.4-67.7-103.9000111.3N189 G190 I191 F324 M328 Y330 F332 Q456 V458 F476N189-F326 WeakPolarHBondContact O-CD1 3.48Å; N189-F326 WeakPolarHBondContact O-CE1 3.04Å; G190-F326 CarbonylContact O-C 3.59Å; G190-F326 VanDerWaalsContact O-CA 3.23Å; G190-F326 WeakPolarHBondContact O-CA 3.09Å; I191-F326 HydrophobicContact CG1-CD1 4.32Å; I191-F326 HydrophobicContact CG1-CE1 3.66Å; I191-F326 HydrophobicContact CG1-CZ 4.05Å; F324-F326 HydrophobicContact CB-CE2 3.8Å; F326-M328 PolarHBondContact O-N 2.89Å; F326-Y330 HydrophobicContact CB-CD2 3.85Å; F326-Y330 HydrophobicContact CB-CE2 4.04Å; F326-Y330 AromaticContact CD1-CD2 3.89Å; F326-Y330 HydrophobicContact CD1-CD2 3.89Å; F326-Y330 HydrophobicContact CD1-CE2 4.05Å; F326-Y330 HydrophobicContact CG-CD2 4.13Å; F326-Y330 HydrophobicContact CG-CE2 4.48Å; F326-F332 HydrophobicContact CD1-CE1 4.34Å; F326-F332 HydrophobicContact CD1-CZ 4.06Å; F326-F332 AromaticContact CD2-CZ 3.82Å; F326-F332 HydrophobicContact CD2-CZ 3.82Å; F326-F332 AromaticContact CE1-CE1 3.7Å; F326-F332 HydrophobicContact CE1-CE1 3.7Å; F326-F332 AromaticContact CE1-CZ 3.83Å; F326-F332 HydrophobicContact CE1-CZ 3.83Å; F326-F332 AromaticContact CE2-CE1 3.94Å; F326-F332 HydrophobicContact CE2-CE1 3.94Å; F326-F332 AromaticContact CE2-CZ 3.6Å; F326-F332 HydrophobicContact CE2-CZ 3.6Å; F326-F332 HydrophobicContact CG-CZ 4.07Å; F326-F332 AromaticContact CZ-CE1 3.49Å; F326-F332 HydrophobicContact CZ-CE1 3.49Å; F326-F332 VanDerWaalsContact CZ-CE1 3.49Å; F326-F332 AromaticContact CZ-CZ 3.62Å; F326-F332 HydrophobicContact CZ-CZ 3.62Å; F326-Q456 WeakPolarHBondContact CB-O 3.24Å; F326-Q456 WeakPolarHBondContact CD2-O 3.29Å; F326-Q456 PolarHBondContact N-O 3.24Å; F326-Q456 VanDerWaalsContact O-CG 3.31Å; F326-Q456 WeakPolarHBondContact O-CG 3.33Å; F326-Q456 PolarHBondContact O-NE2 3.45Å; F326-V458 HydrophobicContact CD2-CG2 4.32Å; F326-V458 HydrophobicContact CE2-CB 4.36Å; F326-V458 HydrophobicContact CE2-CG2 3.75Å; F326-F476 HydrophobicContact CE1-CB 4.49Å; F326-F476 HydrophobicContact CE1-CG 4.36Å; F326-F476 HydrophobicContact CE2-CD1 4.47Å; F326-F476 HydrophobicContact CE2-CE1 4.42Å; F326-F476 HydrophobicContact CZ-CB 4.3Å; F326-F476 AromaticContact CZ-CD1 3.77Å; F326-F476 HydrophobicContact CZ-CD1 3.77Å; F326-F476 AromaticContact CZ-CD2 3.95Å; F326-F476 HydrophobicContact CZ-CD2 3.95Å; F326-F476 HydrophobicContact CZ-CE1 4.07Å; F326-F476 HydrophobicContact CZ-CE2 4.22Å; F326-F476 AromaticContact CZ-CG 3.73Å; F326-F476 HydrophobicContact CZ-CG 3.73Å; F326-F476 HydrophobicContact CZ-CZ 4.29Å
327D91.3Very high89.6Confident47 Ų4723.5 Ų23.525%0.25111%0.114SC..EExtended strand (participates in β ladder)trans-70.1-15.5-179.866.9-20.1000114.1G190 L192 Y330G190-D327 VanDerWaalsContact CA-OD1 3.31Å; G190-D327 WeakPolarHBondContact CA-OD1 3.45Å; G190-D327 PolarHBondContact O-N 3.39Å; L192-D327 VanDerWaalsContact CD1-CA 3.43Å; L192-D327 HydrophobicContact CD1-CB 3.7Å; L192-D327 HydrophobicContact CD2-CB 3.98Å; L192-D327 HydrophobicContact CG-CB 3.8Å; D327-Y330 WeakPolarHBondContact OD1-CE2 3.21Å; D327-Y330 PolarHBondContact OD1-OH 3.33Å
328M90.4Very high91.2Very high30 Ų3022.6 Ų22.615%0.14811%0.105CC..EExtended strand (participates in β ladder)trans-160.6-171.8174.361.8-160.368.200112.2F326 Y330 R480F326-M328 PolarHBondContact O-N 2.89Å; M328-Y330 HydrophobicContact CG-CD2 4.16Å; M328-Y330 HydrophobicContact CG-CE2 3.61Å; M328-Y330 WeakPolarHBondContact O-CD2 3.47Å; M328-R480 VanDerWaalsContact SD-CD 3.53Å; M328-R480 HydrophobicContact SD-CG 3.56Å; M328-R480 VanDerWaalsContact SD-CG 3.56Å; M328-R480 PolarHBondContact SD-NE 3.41Å
329I90.3Very high91.7Very high35 Ų3521.4 Ų21.418%0.17910%0.098CC..EExtended strand (participates in β ladder)trans-75.4128.9173.3-59.1174.1000109.8F359 Q456 M481 F486I329-F359 HydrophobicContact CD1-CD1 3.83Å; I329-F359 HydrophobicContact CD1-CE1 4.07Å; I329-F359 HydrophobicContact CG1-CD1 4.05Å; I329-F359 HydrophobicContact CG1-CE1 4.37Å; I329-F359 HydrophobicContact CG2-CD1 4.39Å; I329-F359 HydrophobicContact CG2-CE1 3.91Å; I329-Q456 HydrophobicContact CG1-CB 4.43Å; I329-M481 HydrophobicContact CG2-CB 4.48Å; I329-M481 HydrophobicContact CG2-CG 4.14Å; I329-M481 WeakPolarHBondContact O-CB 3.23Å; I329-M481 PolarHBondContact O-N 3.48Å; I329-F486 HydrophobicContact CD1-CB 3.93Å; I329-F486 HydrophobicContact CD1-CD1 3.73Å; I329-F486 HydrophobicContact CD1-CE1 4.45Å; I329-F486 HydrophobicContact CD1-CG 3.85Å
330Y91.2Very high91.7Very high17 Ų1720 Ų207%0.0679%0.092CC..EExtended strand (participates in β ladder)trans-118.2155.1175.8-80.6-86.9000111.4G190 F326 D327 M328 F332 L454 G455 N478 L479 R480G190-Y330 WeakPolarHBondContact CA-OH 3.45Å; F326-Y330 HydrophobicContact CB-CD2 3.85Å; F326-Y330 HydrophobicContact CB-CE2 4.04Å; F326-Y330 AromaticContact CD1-CD2 3.89Å; F326-Y330 HydrophobicContact CD1-CD2 3.89Å; F326-Y330 HydrophobicContact CD1-CE2 4.05Å; F326-Y330 HydrophobicContact CG-CD2 4.13Å; F326-Y330 HydrophobicContact CG-CE2 4.48Å; D327-Y330 WeakPolarHBondContact OD1-CE2 3.21Å; D327-Y330 PolarHBondContact OD1-OH 3.33Å; M328-Y330 HydrophobicContact CG-CD2 4.16Å; M328-Y330 HydrophobicContact CG-CE2 3.61Å; M328-Y330 WeakPolarHBondContact O-CD2 3.47Å; Y330-F332 HydrophobicContact CG-CZ 4.45Å; Y330-L454 WeakPolarHBondContact O-CA 3.46Å; Y330-G455 PolarHBondContact N-O 3Å; Y330-G455 PolarHBondContact O-N 2.8Å; Y330-N478 HydrophobicContact CD1-CB 3.79Å; Y330-N478 WeakPolarHBondContact CD1-ND2 3.31Å; Y330-N478 VanDerWaalsContact CE1-ND2 3.33Å; Y330-N478 WeakPolarHBondContact CE1-ND2 3.29Å; Y330-N478 HydrophobicContact CG-CB 4.21Å; Y330-L479 WeakPolarHBondContact CD1-O 3.37Å; Y330-R480 HydrophobicContact CD1-CB 4.37Å; Y330-R480 HydrophobicContact CE1-CB 3.78Å
331N90Very high91.6Very high17 Ų1719.8 Ų19.89%0.0919%0.091CC..EExtended strand (participates in β ladder)trans-102.8105.9163.2174.617.4000108.8N450 G453 L454 N478 L479 M481N331-N450 WeakPolarHBondContact OD1-CB 3.37Å; N331-N450 PolarHBondContact OD1-O 2.88Å; N331-G453 CarbonylContact C-O 3.58Å; N331-G453 WeakPolarHBondContact CA-O 3.29Å; N331-L454 HydrophobicContact CB-CD2 3.85Å; N331-N478 WeakPolarHBondContact O-CA 3.27Å; N331-L479 PolarHBondContact N-O 3.29Å; N331-L479 PolarHBondContact O-N 2.83Å; N331-M481 HydrophobicContact CB-CG 4.47Å; N331-M481 HydrophobicContact CB-SD 3.74Å
332F91.6Very high91.3Very high0 Ų018.6 Ų18.60%09%0.089CC..EExtended strand (participates in β ladder)trans-82.8129.8-179.7-63.2-85000111.4F326 Y330 F357 I415 N450 G453 V458 F476 E477 N478F326-F332 HydrophobicContact CD1-CE1 4.34Å; F326-F332 HydrophobicContact CD1-CZ 4.06Å; F326-F332 AromaticContact CD2-CZ 3.82Å; F326-F332 HydrophobicContact CD2-CZ 3.82Å; F326-F332 AromaticContact CE1-CE1 3.7Å; F326-F332 HydrophobicContact CE1-CE1 3.7Å; F326-F332 AromaticContact CE1-CZ 3.83Å; F326-F332 HydrophobicContact CE1-CZ 3.83Å; F326-F332 AromaticContact CE2-CE1 3.94Å; F326-F332 HydrophobicContact CE2-CE1 3.94Å; F326-F332 AromaticContact CE2-CZ 3.6Å; F326-F332 HydrophobicContact CE2-CZ 3.6Å; F326-F332 HydrophobicContact CG-CZ 4.07Å; F326-F332 AromaticContact CZ-CE1 3.49Å; F326-F332 HydrophobicContact CZ-CE1 3.49Å; F326-F332 VanDerWaalsContact CZ-CE1 3.49Å; F326-F332 AromaticContact CZ-CZ 3.62Å; F326-F332 HydrophobicContact CZ-CZ 3.62Å; Y330-F332 HydrophobicContact CG-CZ 4.45Å; F332-F357 HydrophobicContact CB-CE1 3.86Å; F332-F357 HydrophobicContact CB-CZ 4.35Å; F332-F357 AromaticContact CD2-CD1 3.68Å; F332-F357 HydrophobicContact CD2-CD1 3.68Å; F332-F357 AromaticContact CD2-CE1 3.47Å; F332-F357 HydrophobicContact CD2-CE1 3.47Å; F332-F357 VanDerWaalsContact CD2-CE1 3.47Å; F332-F357 HydrophobicContact CE2-CD1 4.18Å; F332-F357 HydrophobicContact CE2-CE1 4.22Å; F332-F357 HydrophobicContact CG-CD1 4.42Å; F332-F357 AromaticContact CG-CE1 3.75Å; F332-F357 HydrophobicContact CG-CE1 3.75Å; F332-I415 HydrophobicContact CB-CD1 3.53Å; F332-N450 PolarHBondContact O-ND2 3.44Å; F332-G453 VanDerWaalsContact CD2-O 3.28Å; F332-G453 WeakPolarHBondContact CD2-O 3.35Å; F332-G453 PolarHBondContact N-O 3.12Å; F332-V458 HydrophobicContact CD2-CG2 4.12Å; F332-V458 HydrophobicContact CE1-CG2 4.05Å; F332-V458 HydrophobicContact CE2-CG2 3.53Å; F332-V458 HydrophobicContact CZ-CG2 3.51Å; F332-F476 HydrophobicContact CD1-CB 4.24Å; F332-F476 AromaticContact CD1-CD1 3.96Å; F332-F476 HydrophobicContact CD1-CD1 3.96Å; F332-F476 HydrophobicContact CE1-CB 4.1Å; F332-F476 AromaticContact CE1-CD1 3.77Å; F332-F476 HydrophobicContact CE1-CD1 3.77Å; F332-F476 HydrophobicContact CE1-CG 4.24Å; F332-E477 CarbonylContact C-O 3.51Å; F332-E477 WeakPolarHBondContact CA-O 3.25Å; F332-N478 HydrophobicContact CD1-CB 3.54Å; F332-N478 HydrophobicContact CE1-CB 3.71Å; F332-N478 HydrophobicContact CG-CB 4.23Å
333S89.3Confident90.8Very high39 Ų3921.6 Ų21.627%0.27310%0.102SC..EExtended strand (participates in β ladder)trans-100.3-36.5176.157.40000113I415 E477S333-I415 PolarHBondContact O-N 2.94Å; S333-E477 PolarHBondContact N-O 3.19Å; S333-E477 VanDerWaalsContact OG-CB 3.24Å; S333-E477 WeakPolarHBondContact OG-CB 3.25Å; S333-E477 PolarHBondContact OG-O 2.73Å
334S91.3Very high90.1Very high5 Ų527.6 Ų27.64%0.03513%0.133CC..EExtended strand (participates in β ladder)trans-155.5164.5167.585.90000112.6L413 E477S334-L413 VanDerWaalsContact CA-O 3.28Å; S334-L413 WeakPolarHBondContact CA-O 3.45Å; S334-L413 WeakPolarHBondContact CB-O 3.47Å; S334-E477 WeakPolarHBondContact CB-OE2 3.3Å; S334-E477 PolarHBondContact O-N 2.87Å; S334-E477 PolarHBondContact OG-OE1 2.79Å; S334-E477 PolarHBondContact OG-OE2 3.15Å
335I93.5Very high89.3Confident0 Ų030.6 Ų30.60%015%0.151CC..EExtended strand (participates in β ladder)trans-122.7133.3169.7-62.4167.2000107.5I337 V355 F357 L413 I415 V458 I460 I474 L475 F476I335-I337 HydrophobicContact CG2-CG1 4.1Å; I335-V355 HydrophobicContact CD1-CG1 3.65Å; I335-V355 HydrophobicContact CD1-CG2 4.2Å; I335-F357 HydrophobicContact CD1-CZ 4.31Å; I335-L413 HydrophobicContact CB-CB 4.4Å; I335-L413 PolarHBondContact N-O 3.12Å; I335-L413 WeakPolarHBondContact O-CB 3.22Å; I335-L413 PolarHBondContact O-N 3.38Å; I335-I415 HydrophobicContact CD1-CD1 4.26Å; I335-I415 HydrophobicContact CG1-CD1 4.1Å; I335-V458 HydrophobicContact CD1-CG1 3.88Å; I335-I460 HydrophobicContact CG2-CD1 4.03Å; I335-I474 HydrophobicContact CG2-CG2 4.08Å; I335-L475 WeakPolarHBondContact CA-O 3.49Å; I335-F476 HydrophobicContact CD1-CD1 4.11Å; I335-F476 HydrophobicContact CD1-CE1 3.9Å; I335-F476 HydrophobicContact CG1-CD1 3.73Å; I335-F476 HydrophobicContact CG1-CE1 3.94Å; I335-F476 HydrophobicContact CG2-CD1 4.47Å; I335-F476 HydrophobicContact CG2-CE1 4.26Å
336R92.5Very high88.8Confident105 Ų10529.2 Ų29.240%0.39615%0.151SC..EExtended strand (participates in β ladder)trans-113.6128.1177.3-47.2-177.3179.8-166.52.5109.1W410 I411 V412 I474 L475 E477R336-W410 HydrophobicContact CB-CE3 3.67Å; R336-W410 HydrophobicContact CB-CZ3 3.85Å; R336-I411 CarbonylContact C-O 3.58Å; R336-I411 WeakPolarHBondContact CA-O 3.2Å; R336-V412 HydrophobicContact CG-CG2 4.3Å; R336-I474 CarbonylContact O-C 3.53Å; R336-I474 WeakPolarHBondContact O-CA 3.37Å; R336-L475 HydrophobicContact CB-CB 4.31Å; R336-L475 PolarHBondContact N-O 2.96Å; R336-L475 PolarHBondContact O-N 2.91Å; R336-E477 IonicContact CZ-OE1 3.14Å; R336-E477 IonicContact NE-OE1 3.57Å; R336-E477 PolarHBondContact NE-OE1 2.95Å; R336-E477 IonicContact NH2-OE1 2.69Å; R336-E477 PolarHBondContact NH2-OE1 3.27Å
337I93.7Very high88.4Confident0 Ų029.2 Ų29.20%015%0.151CC..EExtended strand (participates in β ladder)trans-121.7122.8-179.1-55178000108.2I335 V339 I353 I411 L413 I460 I462 V471 I474I335-I337 HydrophobicContact CG2-CG1 4.1Å; I337-V339 HydrophobicContact CB-CG2 4.29Å; I337-V339 HydrophobicContact CG2-CG2 3.52Å; I337-I353 HydrophobicContact CD1-CD1 4.01Å; I337-I411 PolarHBondContact N-O 2.62Å; I337-I411 PolarHBondContact O-N 2.86Å; I337-L413 HydrophobicContact CD1-CD1 3.82Å; I337-L413 HydrophobicContact CG1-CD1 4.47Å; I337-I460 HydrophobicContact CD1-CD1 4.41Å; I337-I460 HydrophobicContact CD1-CG2 4.11Å; I337-I462 HydrophobicContact CD1-CD1 4.43Å; I337-V471 HydrophobicContact CG2-CG1 3.72Å; I337-V471 HydrophobicContact CG2-CG2 4.43Å; I337-I474 HydrophobicContact CG1-CG1 4.38Å; I337-I474 HydrophobicContact CG1-CG2 4.33Å; I337-I474 HydrophobicContact CG2-CD1 4.46Å; I337-I474 HydrophobicContact CG2-CG1 4.17Å
338Y91.6Very high88.2Confident15 Ų1527.5 Ų27.56%0.05914%0.143CC..EExtended strand (participates in β ladder)trans-88.1118.1175.6-170.3-109.3000110.4T268 E269 F282 S408 W410 V471 G472 E473T268-Y338 HydrophobicContact CG2-CD1 4.25Å; T268-Y338 HydrophobicContact CG2-CG 4.32Å; E269-Y338 PolarHBondContact O-OH 3.05Å; F282-Y338 AromaticContact CE1-CD1 3.97Å; F282-Y338 HydrophobicContact CE1-CD1 3.97Å; F282-Y338 AromaticContact CE1-CE1 3.91Å; F282-Y338 HydrophobicContact CE1-CE1 3.91Å; F282-Y338 HydrophobicContact CZ-CD1 4.1Å; F282-Y338 AromaticContact CZ-CE1 3.56Å; F282-Y338 HydrophobicContact CZ-CE1 3.56Å; Y338-S408 VanDerWaalsContact OH-CB 3.24Å; Y338-S408 WeakPolarHBondContact OH-CB 3.2Å; Y338-S408 PolarHBondContact OH-O 2.73Å; Y338-W410 AromaticContact CD2-CD1 3.77Å; Y338-W410 AromaticContact CD2-CD2 3.86Å; Y338-W410 HydrophobicContact CD2-CD2 3.86Å; Y338-W410 AromaticContact CD2-CE2 3.78Å; Y338-W410 AromaticContact CD2-CG 3.89Å; Y338-W410 HydrophobicContact CD2-CG 3.89Å; Y338-W410 HydrophobicContact CD2-CZ2 4.42Å; Y338-W410 AromaticContact CD2-NE1 3.69Å; Y338-W410 HydrophobicContact CG-CD2 4.39Å; Y338-V471 WeakPolarHBondContact O-CA 3.47Å; Y338-G472 PolarHBondContact O-N 3.05Å; Y338-E473 PolarHBondContact N-O 2.75Å
339V90.6Very high88.2Confident0 Ų026.3 Ų26.30%014%0.137CC..EExtended strand (participates in β ladder)trans-131.2138.3-168.5-177.50000110.7I337 I349 S408 R409 I411 L469I337-V339 HydrophobicContact CB-CG2 4.29Å; I337-V339 HydrophobicContact CG2-CG2 3.52Å; V339-I349 HydrophobicContact CG1-CG1 4.18Å; V339-S408 CarbonylContact O-C 3.22Å; V339-S408 WeakPolarHBondContact O-CA 3.49Å; V339-R409 PolarHBondContact N-O 2.97Å; V339-R409 PolarHBondContact O-N 2.9Å; V339-I411 HydrophobicContact CB-CD1 4.02Å; V339-I411 HydrophobicContact CB-CG1 4.47Å; V339-I411 HydrophobicContact CG1-CD1 4.47Å; V339-I411 HydrophobicContact CG2-CD1 3.72Å; V339-I411 HydrophobicContact CG2-CG1 4.23Å; V339-L469 HydrophobicContact CG1-CD1 4.39Å
340S88.2Confident88.3Confident1 Ų124.6 Ų24.61%0.00713%0.128CC..  trans-85.7152.2174.6-167.50000113.1P276 L347 S408 A470P276-S340 VanDerWaalsContact CD-OG 3.32Å; P276-S340 WeakPolarHBondContact CD-OG 3.48Å; P276-S340 WeakPolarHBondContact CG-OG 3.41Å; S340-L347 VanDerWaalsContact O-CD2 3.26Å; S340-L347 WeakPolarHBondContact O-CD2 3.44Å; S340-S408 WeakPolarHBondContact CA-OG 3.23Å; S340-S408 VanDerWaalsContact CB-OG 3.27Å; S340-S408 WeakPolarHBondContact CB-OG 3.2Å; S340-S408 PolarHBondContact OG-OG 2.69Å; S340-A470 PolarHBondContact N-O 3.33Å
341N87.2Confident88.2Confident1 Ų127.3 Ų27.31%0.00514%0.138CC..  trans-130.933.6-178.2-157.954.2000114F343 L347 I349 D402 N405 T406N341-F343 PolarHBondContact O-N 2.85Å; N341-L347 CarbonylContact C-O 3.59Å; N341-I349 HydrophobicContact CB-CD1 3.88Å; N341-I349 HydrophobicContact CB-CG1 3.94Å; N341-I349 WeakPolarHBondContact OD1-CG1 3.19Å; N341-I349 PolarHBondContact OD1-N 3.39Å; N341-D402 PolarHBondContact ND2-O 2.87Å; N341-N405 PolarHBondContact ND2-O 3Å; N341-T406 CarbonylContact C-O 3.58Å; N341-T406 WeakPolarHBondContact O-CA 3.38Å
342D84.1Confident88.3Confident22 Ų2228.4 Ų28.412%0.11814%0.144CC..  trans-70.472.6176.9-165.6-10.8000112.3S275 P276 L344 V345 L347S275-D342 VanDerWaalsContact CB-OD2 3.32Å; S275-D342 WeakPolarHBondContact CB-OD2 3.37Å; S275-D342 PolarHBondContact OG-OD2 2.83Å; P276-D342 HydrophobicContact CG-CB 4.47Å; D342-L344 PolarHBondContact O-N 3.1Å; D342-V345 HydrophobicContact CB-CG2 3.92Å; D342-V345 VanDerWaalsContact O-CG2 3.3Å; D342-V345 WeakPolarHBondContact O-CG2 3.42Å; D342-V345 PolarHBondContact O-N 3.29Å; D342-L347 CarbonylContact C-O 3.33Å; D342-L347 PolarHBondContact N-O 2.6Å; D342-L347 PolarHBondContact O-N 3.48Å; D342-L347 VanDerWaalsContact O-N 3.12Å
343F82.5Confident88.3Confident63 Ų6328.4 Ų28.428%0.27614%0.144SC..G310 helixtrans-68.2-16.8-171.665.9-101.1000113.3N341 G346 L347 T348 T406N341-F343 PolarHBondContact O-N 2.85Å; F343-G346 PolarHBondContact O-N 3.16Å; F343-L347 WeakPolarHBondContact CA-O 3.34Å; F343-L347 PolarHBondContact N-O 3.27Å; F343-T348 HydrophobicContact CB-CG2 3.84Å; F343-T406 HydrophobicContact CD1-CG2 3.89Å; F343-T406 HydrophobicContact CE1-CG2 3.56Å; F343-T406 HydrophobicContact CZ-CG2 4.15Å
344L80Confident88.4Confident137 Ų13728 Ų2872%0.71714%0.14SC*.G310 helixtrans-68.4-35.8177.4-63.5175000111.6D342 G346 T406D342-L344 PolarHBondContact O-N 3.1Å; L344-G346 VanDerWaalsContact C-N 3.31Å; L344-T406 HydrophobicContact CD1-CG2 4.39Å
345V78.5Confident88.5Confident63 Ų6327.8 Ų27.838%0.38214%0.138SC..G310 helixtrans-94.115.7174.6-57.10000112.9F277 D342 L347F277-V345 HydrophobicContact CD2-CB 4.21Å; F277-V345 HydrophobicContact CD2-CG2 3.76Å; F277-V345 HydrophobicContact CE2-CB 3.79Å; F277-V345 HydrophobicContact CE2-CG2 3.36Å; F277-V345 HydrophobicContact CZ-CG2 4.26Å; D342-V345 HydrophobicContact CB-CG2 3.92Å; D342-V345 VanDerWaalsContact O-CG2 3.3Å; D342-V345 WeakPolarHBondContact O-CG2 3.42Å; D342-V345 PolarHBondContact O-N 3.29Å; V345-L347 HydrophobicContact CG2-CB 4.35Å
346G82.7Confident88.3Confident17 Ų1728 Ų2818%0.17514%0.14CC..THydrogen-bonded Turntrans78.121176.900000114.6F343 L344 S466 Q467 W468F343-G346 PolarHBondContact O-N 3.16Å; L344-G346 VanDerWaalsContact C-N 3.31Å; G346-S466 VanDerWaalsContact C-OG 3.31Å; G346-S466 VanDerWaalsContact O-CB 3.24Å; G346-S466 WeakPolarHBondContact O-CB 3.34Å; G346-S466 PolarHBondContact O-OG 3.19Å; G346-Q467 PolarHBondContact O-N 3.48Å; G346-W468 PolarHBondContact O-N 3.34Å
347L86.5Confident88.2Confident0 Ų023 Ų230%012%0.122CC..BIsolated β-bridgetrans-109.8125.5178.3-164.3146.8000110.7P276 F277 S340 N341 D342 F343 V345 W468 A470P276-L347 HydrophobicContact CG-CD1 3.83Å; P276-L347 HydrophobicContact CG-CD2 4.28Å; F277-L347 HydrophobicContact CE1-CD1 3.81Å; F277-L347 HydrophobicContact CZ-CD1 3.85Å; S340-L347 VanDerWaalsContact O-CD2 3.26Å; S340-L347 WeakPolarHBondContact O-CD2 3.44Å; N341-L347 CarbonylContact C-O 3.59Å; D342-L347 CarbonylContact C-O 3.33Å; D342-L347 PolarHBondContact N-O 2.6Å; D342-L347 PolarHBondContact O-N 3.48Å; D342-L347 VanDerWaalsContact O-N 3.12Å; F343-L347 WeakPolarHBondContact CA-O 3.34Å; F343-L347 PolarHBondContact N-O 3.27Å; V345-L347 HydrophobicContact CG2-CB 4.35Å; L347-W468 HydrophobicContact CB-CB 4Å; L347-W468 HydrophobicContact CD1-CB 3.79Å; L347-W468 HydrophobicContact CG-CB 3.9Å; L347-A470 HydrophobicContact CD1-CB 3.6Å; L347-A470 HydrophobicContact CD2-CB 4.09Å; L347-A470 HydrophobicContact CG-CB 4.37Å
348T87.3Confident88Confident11 Ų1123.3 Ų23.37%0.06712%0.124CC..  trans-142.7150.8-171.559.30000112.3F343 N465 S466F343-T348 HydrophobicContact CB-CG2 3.84Å; T348-N465 WeakPolarHBondContact OG1-CB 3.35Å; T348-S466 WeakPolarHBondContact OG1-CB 3.43Å; T348-S466 PolarHBondContact OG1-N 2.81Å
349I89Confident87.8Confident4 Ų426.2 Ų26.22%0.02114%0.137CC..  trans-47135.5167.2-75.8165.1000111V339 N341 L399 D402 R409 I411 N465V339-I349 HydrophobicContact CG1-CG1 4.18Å; N341-I349 HydrophobicContact CB-CD1 3.88Å; N341-I349 HydrophobicContact CB-CG1 3.94Å; N341-I349 WeakPolarHBondContact OD1-CG1 3.19Å; N341-I349 PolarHBondContact OD1-N 3.39Å; I349-L399 HydrophobicContact CG2-CD1 4.37Å; I349-D402 HydrophobicContact CD1-CB 4.45Å; I349-R409 HydrophobicContact CD1-CG 4.29Å; I349-R409 VanDerWaalsContact CD1-NE 3.34Å; I349-I411 HydrophobicContact CG2-CD1 3.93Å; I349-N465 VanDerWaalsContact O-CB 3.23Å; I349-N465 WeakPolarHBondContact O-CB 3.47Å; I349-N465 PolarHBondContact O-ND2 2.71Å
350P92.2Very high87.5Confident0 Ų033.5 Ų33.50%017%0.171CC..  trans-50.3150.2177.7-2932.7000113.8I353 L399 I462 F463 L469P350-I353 HydrophobicContact CB-CD1 4.45Å; P350-I353 HydrophobicContact CB-CG1 4.11Å; P350-I353 HydrophobicContact CG-CD1 4.42Å; P350-L399 HydrophobicContact CB-CD1 4.25Å; P350-L399 WeakPolarHBondContact O-CB 3.42Å; P350-I462 HydrophobicContact CB-CG2 3.58Å; P350-I462 HydrophobicContact CG-CG2 3.15Å; P350-F463 WeakPolarHBondContact CA-O 3.2Å; P350-L469 HydrophobicContact CG-CD1 3.74Å
351R90.5Very high87.3Confident74 Ų7435.2 Ų35.228%0.27918%0.18SC..SBendtrans-78.8-39.6176.868.7-179.3-164.5-122.710.3111.9D318 L399 F463 F464 N465D318-R351 IonicContact OD1-NH1 3.46Å; D318-R351 PolarHBondContact OD1-NH1 3.43Å; D318-R351 VanDerWaalsContact OD1-NH1 3.14Å; D318-R351 IonicContact OD2-CZ 2.69Å; D318-R351 IonicContact OD2-NH1 2.73Å; D318-R351 PolarHBondContact OD2-NH1 3.34Å; D318-R351 IonicContact OD2-NH2 3.23Å; D318-R351 PolarHBondContact OD2-NH2 2.69Å; R351-L399 PolarHBondContact O-N 2.92Å; R351-F463 HydrophobicContact CG-CB 3.75Å; R351-F463 PolarHBondContact N-O 3.28Å; R351-F464 WeakPolarHBondContact CD-O 3.28Å; R351-F464 PolarHBondContact NH1-O 3.33Å; R351-N465 HydrophobicContact CB-CB 4.04Å
352N90.6Very high87Confident40 Ų4035.2 Ų35.221%0.21418%0.18CC..EExtended strand (participates in β ladder)trans-141.2152.6-179.8-69.6-18.6000108.3L396 Y397 F463N352-L396 HydrophobicContact CB-CD1 3.97Å; N352-Y397 CarbonylContact C-O 3.47Å; N352-Y397 WeakPolarHBondContact CA-O 3.43Å; N352-F463 HydrophobicContact CB-CB 4.08Å; N352-F463 HydrophobicContact CB-CD2 3.79Å; N352-F463 HydrophobicContact CB-CG 4.08Å; N352-F463 PolarHBondContact O-N 2.8Å
353I92.7Very high86.5Confident0 Ų034.8 Ų34.80%018%0.179CC..EExtended strand (participates in β ladder)trans-131.4130.1164.6-54.6-176.4000107.6I337 P350 V355 Y397 L399 L413 I460 R461 I462I337-I353 HydrophobicContact CD1-CD1 4.01Å; P350-I353 HydrophobicContact CB-CD1 4.45Å; P350-I353 HydrophobicContact CB-CG1 4.11Å; P350-I353 HydrophobicContact CG-CD1 4.42Å; I353-V355 HydrophobicContact CG2-CG2 4.42Å; I353-Y397 PolarHBondContact N-O 3.5Å; I353-Y397 PolarHBondContact O-N 2.8Å; I353-L399 HydrophobicContact CD1-CD1 3.84Å; I353-L399 HydrophobicContact CG1-CD1 3.86Å; I353-L413 HydrophobicContact CB-CD1 4.44Å; I353-L413 HydrophobicContact CD1-CD1 4.27Å; I353-L413 HydrophobicContact CG2-CD1 3.93Å; I353-I460 HydrophobicContact CG2-CG2 3.66Å; I353-R461 CarbonylContact C-O 3.44Å; I353-R461 VanDerWaalsContact CA-O 3.31Å; I353-R461 WeakPolarHBondContact CA-O 3.24Å; I353-I462 HydrophobicContact CG1-CG2 4.39Å; I353-I462 HydrophobicContact CG2-CG1 4.43Å
354T91.4Very high85.8Confident30 Ų3037.6 Ų37.618%0.18420%0.196CC..EExtended strand (participates in β ladder)trans-107.3132.7167.457.10000109.9I395 L396 R461 F463T354-I395 CarbonylContact C-O 3.55Å; T354-I395 VanDerWaalsContact CA-O 3.3Å; T354-I395 WeakPolarHBondContact CA-O 3.48Å; T354-L396 HydrophobicContact CG2-CB 4.17Å; T354-L396 HydrophobicContact CG2-CD1 3.6Å; T354-L396 HydrophobicContact CG2-CG 4.45Å; T354-R461 PolarHBondContact N-O 2.87Å; T354-R461 PolarHBondContact O-N 2.85Å; T354-R461 VanDerWaalsContact OG1-CB 3.32Å; T354-R461 WeakPolarHBondContact OG1-CB 3.46Å; T354-R461 WeakPolarHBondContact OG1-CG 3.16Å; T354-F463 HydrophobicContact CG2-CE2 4.02Å
355V92.6Very high85.1Confident1 Ų134.6 Ų34.61%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-111.9130.4171.6-1770000108.8I335 I353 F357 S394 I395 Y397 L413 V458 E459I335-V355 HydrophobicContact CD1-CG1 3.65Å; I335-V355 HydrophobicContact CD1-CG2 4.2Å; I353-V355 HydrophobicContact CG2-CG2 4.42Å; V355-F357 HydrophobicContact CB-CE2 4.4Å; V355-F357 HydrophobicContact CG1-CD2 4.32Å; V355-F357 HydrophobicContact CG1-CE1 4.22Å; V355-F357 HydrophobicContact CG1-CE2 3.54Å; V355-F357 HydrophobicContact CG1-CZ 3.46Å; V355-F357 VanDerWaalsContact CG1-CZ 3.46Å; V355-S394 CarbonylContact O-C 3.51Å; V355-S394 WeakPolarHBondContact O-CA 3.42Å; V355-I395 PolarHBondContact N-O 2.98Å; V355-I395 PolarHBondContact O-N 2.77Å; V355-Y397 HydrophobicContact CB-CE2 4.26Å; V355-Y397 HydrophobicContact CG2-CD2 4.33Å; V355-Y397 HydrophobicContact CG2-CE2 3.81Å; V355-L413 HydrophobicContact CG2-CD1 4.1Å; V355-V458 HydrophobicContact CG1-CG1 3.73Å; V355-E459 CarbonylContact C-O 3.58Å; V355-E459 VanDerWaalsContact CA-O 3.3Å; V355-E459 WeakPolarHBondContact CA-O 3.17Å
356G90.2Very high84.5Confident4 Ų433.1 Ų33.14%0.04116%0.163CC..EExtended strand (participates in β ladder)trans-122.3138.7174.300000111S393 V458 E459G356-S393 WeakPolarHBondContact CA-O 3.42Å; G356-V458 WeakPolarHBondContact O-CA 3.31Å; G356-E459 PolarHBondContact N-O 3.47Å; G356-E459 PolarHBondContact O-N 3.22Å
357F91Very high83.4Confident0 Ų040 Ų400%019%0.185CC..EExtended strand (participates in β ladder)trans-110.7144.5178-59.6-90.4000110F332 I335 V355 W391 S392 S393 I415 F457 V458F332-F357 HydrophobicContact CB-CE1 3.86Å; F332-F357 HydrophobicContact CB-CZ 4.35Å; F332-F357 AromaticContact CD2-CD1 3.68Å; F332-F357 HydrophobicContact CD2-CD1 3.68Å; F332-F357 AromaticContact CD2-CE1 3.47Å; F332-F357 HydrophobicContact CD2-CE1 3.47Å; F332-F357 VanDerWaalsContact CD2-CE1 3.47Å; F332-F357 HydrophobicContact CE2-CD1 4.18Å; F332-F357 HydrophobicContact CE2-CE1 4.22Å; F332-F357 HydrophobicContact CG-CD1 4.42Å; F332-F357 AromaticContact CG-CE1 3.75Å; F332-F357 HydrophobicContact CG-CE1 3.75Å; I335-F357 HydrophobicContact CD1-CZ 4.31Å; V355-F357 HydrophobicContact CB-CE2 4.4Å; V355-F357 HydrophobicContact CG1-CD2 4.32Å; V355-F357 HydrophobicContact CG1-CE1 4.22Å; V355-F357 HydrophobicContact CG1-CE2 3.54Å; V355-F357 HydrophobicContact CG1-CZ 3.46Å; V355-F357 VanDerWaalsContact CG1-CZ 3.46Å; F357-W391 CarbonylContact O-C 3.59Å; F357-W391 VanDerWaalsContact O-CA 3.3Å; F357-W391 WeakPolarHBondContact O-CA 3.45Å; F357-S392 PolarHBondContact O-N 3.29Å; F357-S392 PolarHBondContact O-OG 2.88Å; F357-S393 VanDerWaalsContact CD2-OG 3.25Å; F357-S393 WeakPolarHBondContact CD2-OG 3.3Å; F357-S393 PolarHBondContact N-O 3.2Å; F357-I415 HydrophobicContact CE1-CD1 4.29Å; F357-I415 HydrophobicContact CE2-CD1 4.47Å; F357-I415 HydrophobicContact CE2-CG2 4.41Å; F357-I415 HydrophobicContact CZ-CD1 3.58Å; F357-I415 HydrophobicContact CZ-CG1 4.26Å; F357-I415 HydrophobicContact CZ-CG2 4.42Å; F357-F457 WeakPolarHBondContact CA-O 3.44Å; F357-V458 HydrophobicContact CD1-CG1 4.27Å; F357-V458 HydrophobicContact CD1-CG2 3.86Å; F357-V458 HydrophobicContact CE1-CG1 3.9Å; F357-V458 HydrophobicContact CE1-CG2 3.87Å; F357-V458 HydrophobicContact CZ-CG1 4.43Å
358S88.5Confident81.5Confident6 Ų648.4 Ų48.44%0.04222%0.217CC..EExtended strand (participates in β ladder)trans-148.5162175.1-168.60000112.5Q360 P390 G455 Q456 F457S358-Q360 PolarHBondContact OG-N 2.84Å; S358-Q360 PolarHBondContact OG-O 2.92Å; S358-P390 VanDerWaalsContact CB-O 3.27Å; S358-P390 WeakPolarHBondContact CB-O 3.42Å; S358-P390 PolarHBondContact OG-O 3.04Å; S358-G455 CarbonylContact O-C 3.59Å; S358-G455 WeakPolarHBondContact O-CA 3.3Å; S358-Q456 PolarHBondContact O-N 3.42Å; S358-F457 PolarHBondContact N-O 3.03Å; S358-F457 PolarHBondContact O-N 3.29Å
359F87Confident79.8Confident76 Ų7650.8 Ų50.833%0.33323%0.227SC..SBendtrans-98.6-0.5172.8-56.9-73.9000113I329 L454I329-F359 HydrophobicContact CD1-CD1 3.83Å; I329-F359 HydrophobicContact CD1-CE1 4.07Å; I329-F359 HydrophobicContact CG1-CD1 4.05Å; I329-F359 HydrophobicContact CG1-CE1 4.37Å; I329-F359 HydrophobicContact CG2-CD1 4.39Å; I329-F359 HydrophobicContact CG2-CE1 3.91Å; F359-L454 HydrophobicContact CE1-CB 4.38Å; F359-L454 HydrophobicContact CZ-CB 4.08Å
360Q84Confident77.9Confident154 Ų15455.7 Ų55.772%0.7225%0.246SC*.SBendtrans-138.6157.9-179.8-63.4-177.1-8.300109.9S358 P362 F457S358-Q360 PolarHBondContact OG-N 2.84Å; S358-Q360 PolarHBondContact OG-O 2.92Å; Q360-P362 WeakPolarHBondContact O-CD 3.25Å; Q360-P362 VanDerWaalsContact O-N 3.09Å; Q360-F457 VanDerWaalsContact C-CE2 3.47Å; Q360-F457 WeakPolarHBondContact O-CD2 3.43Å
361D84.2Confident75.3Confident36 Ų3658.4 Ų58.419%0.19327%0.274CS..  trans-63.9112178.6-174.9-10.9000109.9K195 S363 F457K195-D361 IonicContact NZ-OD2 3.57Å; K195-D361 PolarHBondContact NZ-OD2 2.83Å; D361-S363 PolarHBondContact O-N 3Å; D361-S363 VanDerWaalsContact O-N 3.16Å; D361-S363 WeakPolarHBondContact OD1-CB 3.45Å; D361-S363 PolarHBondContact OD1-N 3.24Å; D361-S363 PolarHBondContact OD1-OG 2.8Å; D361-S363 PolarHBondContact OD2-OG 2.93Å; D361-F457 HydrophobicContact CB-CD1 4.21Å; D361-F457 HydrophobicContact CB-CE1 3.59Å; D361-F457 HydrophobicContact CB-CZ 3.84Å
362P81.8Confident72.9Confident2 Ų261.6 Ų61.61%0.01329%0.292CS..THydrogen-bonded Turntrans-68.2-14.2-177.930.5-37.1000112.7I323 Q360 L364 Y365 Y366 W391I323-P362 HydrophobicContact CD1-CG 4.31Å; I323-P362 HydrophobicContact CG2-CG 3.89Å; Q360-P362 WeakPolarHBondContact O-CD 3.25Å; Q360-P362 VanDerWaalsContact O-N 3.09Å; P362-L364 PolarHBondContact O-N 3.19Å; P362-Y365 WeakPolarHBondContact O-CB 3.44Å; P362-Y365 PolarHBondContact O-N 3Å; P362-Y366 VanDerWaalsContact O-CD2 3.29Å; P362-Y366 WeakPolarHBondContact O-CD2 3.24Å; P362-W391 HydrophobicContact CB-CH2 3.14Å; P362-W391 HydrophobicContact CB-CZ2 3.77Å; P362-W391 HydrophobicContact CB-CZ3 3.64Å; P362-W391 HydrophobicContact CG-CH2 3.39Å; P362-W391 HydrophobicContact CG-CZ2 4.42Å; P362-W391 HydrophobicContact CG-CZ3 3.73Å
363S74Confident70.5Confident13 Ų1363.5 Ų63.59%0.09131%0.308CS..Hα-helixtrans-55.4-39.8179.6-51.60000112.2I323 D361 Y365 Y366 Y367I323-S363 WeakPolarHBondContact CD1-OG 3.38Å; D361-S363 PolarHBondContact O-N 3Å; D361-S363 VanDerWaalsContact O-N 3.16Å; D361-S363 WeakPolarHBondContact OD1-CB 3.45Å; D361-S363 PolarHBondContact OD1-N 3.24Å; D361-S363 PolarHBondContact OD1-OG 2.8Å; D361-S363 PolarHBondContact OD2-OG 2.93Å; S363-Y365 VanDerWaalsContact C-N 3.28Å; S363-Y365 PolarHBondContact O-N 3.26Å; S363-Y366 PolarHBondContact O-N 2.94Å; S363-Y366 VanDerWaalsContact O-N 3.1Å; S363-Y367 VanDerWaalsContact O-CD2 3.27Å; S363-Y367 WeakPolarHBondContact O-CD2 3.24Å; S363-Y367 PolarHBondContact O-N 3.15Å
364L67.1Low68.1Low121 Ų12174.3 Ų74.363%0.63435%0.349SS*.Hα-helixtrans-59.2-34.8-179.6-76.6161.3000113.4P362 Y366 R368P362-L364 PolarHBondContact O-N 3.19Å; L364-Y366 VanDerWaalsContact C-N 3.33Å; L364-Y366 PolarHBondContact O-N 3.26Å; L364-R368 PolarHBondContact O-N 2.78Å
365Y66.5Low65.5Low74 Ų7480.7 Ų80.729%0.2938%0.377SS..Hα-helixtrans-62-41.9176.5178.5-93.2000111.3P362 S363 R368 H369 P390P362-Y365 WeakPolarHBondContact O-CB 3.44Å; P362-Y365 PolarHBondContact O-N 3Å; S363-Y365 VanDerWaalsContact C-N 3.28Å; S363-Y365 PolarHBondContact O-N 3.26Å; Y365-R368 PolarHBondContact O-N 2.9Å; Y365-H369 AromaticContact CD1-CD2 3.96Å; Y365-H369 AromaticContact CD2-CD2 3.75Å; Y365-H369 AromaticContact CD2-NE2 3.89Å; Y365-H369 AromaticContact CE1-CD2 3.69Å; Y365-H369 AromaticContact CE2-CD2 3.47Å; Y365-H369 VanDerWaalsContact CE2-CD2 3.47Å; Y365-H369 WeakPolarHBondContact CE2-CD2 3.47Å; Y365-H369 AromaticContact CE2-NE2 3.23Å; Y365-H369 WeakPolarHBondContact CE2-NE2 3.09Å; Y365-H369 AromaticContact CG-CD2 3.99Å; Y365-H369 AromaticContact CZ-CD2 3.43Å; Y365-H369 VanDerWaalsContact CZ-CD2 3.43Å; Y365-H369 AromaticContact CZ-NE2 3.35Å; Y365-H369 PolarHBondContact O-CD2 2.87Å; Y365-H369 PolarHBondContact O-N 3.48Å; Y365-P390 HydrophobicContact CD1-CG 4.13Å; Y365-P390 HydrophobicContact CD2-CG 4.03Å; Y365-P390 HydrophobicContact CE2-CG 4.5Å; Y365-P390 HydrophobicContact CG-CG 3.82Å
366Y65.4Low62.9Low32 Ų3289.3 Ų89.313%0.12542%0.417CS..Hα-helixtrans-73.9-42.1-177.1-70.1-107.6000111.4R321 P362 S363 L364 R368 H369 Y370 W391 R461R321-Y366 VanDerWaalsContact NH1-CG 3.34Å; P362-Y366 VanDerWaalsContact O-CD2 3.29Å; P362-Y366 WeakPolarHBondContact O-CD2 3.24Å; S363-Y366 PolarHBondContact O-N 2.94Å; S363-Y366 VanDerWaalsContact O-N 3.1Å; L364-Y366 VanDerWaalsContact C-N 3.33Å; L364-Y366 PolarHBondContact O-N 3.26Å; Y366-R368 VanDerWaalsContact C-N 3.26Å; Y366-R368 PolarHBondContact O-N 3.28Å; Y366-H369 PolarHBondContact O-N 2.92Å; Y366-Y370 HydrophobicContact CD1-CD2 4.07Å; Y366-Y370 AromaticContact CD1-CE2 3.71Å; Y366-Y370 HydrophobicContact CD1-CE2 3.71Å; Y366-Y370 HydrophobicContact CE1-CE2 4.28Å; Y366-Y370 WeakPolarHBondContact O-CB 3.44Å; Y366-Y370 WeakPolarHBondContact O-CD2 3.24Å; Y366-Y370 PolarHBondContact O-N 2.92Å; Y366-W391 HydrophobicContact CE2-CZ2 4.32Å; Y366-R461 PolarHBondContact OH-NH2 2.95Å; Y366-R461 VanDerWaalsContact OH-NH2 3.07Å
367Y59.6Low60.5Low163 Ų16399.2 Ų99.264%0.63946%0.459SS*.Hα-helixtrans-56.2-41.5173.4-76-63.9000112S363 G371S363-Y367 VanDerWaalsContact O-CD2 3.27Å; S363-Y367 WeakPolarHBondContact O-CD2 3.24Å; S363-Y367 PolarHBondContact O-N 3.15Å; Y367-G371 WeakPolarHBondContact O-CA 3.37Å; Y367-G371 PolarHBondContact O-N 2.82Å
368R45.6Very low57.9Low176 Ų176104.6 Ų104.666%0.66449%0.492SS*.Hα-helixtrans-68.2-53.8177.2-167.8175.7-66.7176.2-0.3112.3L364 Y365 Y366 Q372L364-R368 PolarHBondContact O-N 2.78Å; Y365-R368 PolarHBondContact O-N 2.9Å; Y366-R368 VanDerWaalsContact C-N 3.26Å; Y366-R368 PolarHBondContact O-N 3.28Å; R368-Q372 PolarHBondContact O-N 3.3Å
369H51.5Low55.4Low60 Ų60111.4 Ų111.428%0.27853%0.528SS..Hα-helixtrans-65.4-46.7-176.7-86.3-84.8000113.5Y365 Y366 S373 E387Y365-H369 AromaticContact CD1-CD2 3.96Å; Y365-H369 AromaticContact CD2-CD2 3.75Å; Y365-H369 AromaticContact CD2-NE2 3.89Å; Y365-H369 AromaticContact CE1-CD2 3.69Å; Y365-H369 AromaticContact CE2-CD2 3.47Å; Y365-H369 VanDerWaalsContact CE2-CD2 3.47Å; Y365-H369 WeakPolarHBondContact CE2-CD2 3.47Å; Y365-H369 AromaticContact CE2-NE2 3.23Å; Y365-H369 WeakPolarHBondContact CE2-NE2 3.09Å; Y365-H369 AromaticContact CG-CD2 3.99Å; Y365-H369 AromaticContact CZ-CD2 3.43Å; Y365-H369 VanDerWaalsContact CZ-CD2 3.43Å; Y365-H369 AromaticContact CZ-NE2 3.35Å; Y365-H369 PolarHBondContact O-CD2 2.87Å; Y365-H369 PolarHBondContact O-N 3.48Å; Y366-H369 PolarHBondContact O-N 2.92Å; H369-S373 PolarHBondContact O-N 2.9Å; H369-E387 IonicContact CE1-OE1 3.03Å; H369-E387 PolarHBondContact CE1-OE1 3.49Å; H369-E387 IonicContact CE1-OE2 2.86Å
370Y49Very low52.8Low107 Ų107116.6 Ų116.642%0.4255%0.553SS.*Hα-helixtrans-83-32.9-175.6-71.4-86.6000112.5Y366 Q372 S373Y366-Y370 HydrophobicContact CD1-CD2 4.07Å; Y366-Y370 AromaticContact CD1-CE2 3.71Å; Y366-Y370 HydrophobicContact CD1-CE2 3.71Å; Y366-Y370 HydrophobicContact CE1-CE2 4.28Å; Y366-Y370 WeakPolarHBondContact O-CB 3.44Å; Y366-Y370 WeakPolarHBondContact O-CD2 3.24Å; Y366-Y370 PolarHBondContact O-N 2.92Å; Y370-Q372 PolarHBondContact O-N 2.95Å; Y370-S373 WeakPolarHBondContact O-CB 3.27Å; Y370-S373 PolarHBondContact O-N 2.95Å; Y370-S373 PolarHBondContact O-OG 2.9Å
371G39.3Very low50.5Low57 Ų57117.4 Ų117.459%0.58856%0.557SS**Hα-helixtrans-60.8-44.217500000112.8Y367 S373Y367-G371 WeakPolarHBondContact O-CA 3.37Å; Y367-G371 PolarHBondContact O-N 2.82Å; G371-S373 VanDerWaalsContact C-N 3.33Å; G371-S373 PolarHBondContact O-N 2.62Å
372Q38.5Very low48.1Very low142 Ų142125.2 Ų125.266%0.66459%0.593SS**Hα-helixtrans-75.5-18.3178.2-67.4-177.6-23.500113.5R368 Y370 R374 Q375R368-Q372 PolarHBondContact O-N 3.3Å; Y370-Q372 PolarHBondContact O-N 2.95Å; Q372-R374 PolarHBondContact O-N 3.02Å; Q372-Q375 PolarHBondContact O-N 3.21Å
373S41.5Very low45.8Very low79 Ų79132 Ų13255%0.55262%0.624SS**THydrogen-bonded Turntrans-63.4-11.8-174.874.20000115.8H369 Y370 G371H369-S373 PolarHBondContact O-N 2.9Å; Y370-S373 WeakPolarHBondContact O-CB 3.27Å; Y370-S373 PolarHBondContact O-N 2.95Å; Y370-S373 PolarHBondContact O-OG 2.9Å; G371-S373 VanDerWaalsContact C-N 3.33Å; G371-S373 PolarHBondContact O-N 2.62Å
374R42Very low43.8Very low228 Ų228140.9 Ų140.986%0.8666%0.664SS**THydrogen-bonded Turntrans-112.5-0.8-176.6-65.3-169.2-178.7-172.53.5115.5Q372Q372-R374 PolarHBondContact O-N 3.02Å
375Q37.2Very low42.4Very low164 Ų164142.8 Ų142.877%0.76667%0.669SS**SBendtrans-130.6114.1177.7-71.8-173.8-15.800111.8Q372 K377Q372-Q375 PolarHBondContact O-N 3.21Å; Q375-K377 PolarHBondContact O-N 2.92Å
376Q36.6Very low41Very low182 Ų182147.1 Ų147.185%0.8569%0.692SS**  trans5159.6158.2-60.4-177-10.100117.6T378Q376-T378 PolarHBondContact O-N 2.84Å; Q376-T378 VanDerWaalsContact O-N 3.13Å
377K39.5Very low40Very low212 Ų212152 Ų15292%0.92272%0.716SS**  trans-79.173.1144.7-95.7-171.7174.9178.50109.9Q375Q375-K377 PolarHBondContact O-N 2.92Å
378T38.2Very low39.7Very low113 Ų113151.5 Ų151.569%0.69372%0.717SS**  trans-79.2154.7160.4-34.40000108.2Q376Q376-T378 PolarHBondContact O-N 2.84Å; Q376-T378 VanDerWaalsContact O-N 3.13Å
379D34.5Very low40.5Very low148 Ų148145.9 Ų145.979%0.79170%0.701SS**SBendtrans-62.7161.5-170.9-57.4-81.9000115.1
380Q33.4Very low41.3Very low186 Ų186144.4 Ų144.487%0.86970%0.696SS**  trans84.969.7173.1-50.1178.338.100117.9
381Q35.9Very low42.4Very low171 Ų171140.2 Ų140.280%0.79968%0.68SS**  -171.8114.3125.1-102.6160.610.800110.8
382Q32.4Very low43.9Very low200 Ų200138.2 Ų138.294%0.93566%0.657SS**  trans-99.372.9168.5-77.9-173.6-41.600109.4
383E35.3Very low45.8Very low144 Ų144131.7 Ų131.767%0.67363%0.627SS**  trans-80138166-66.1-163.3144.300110.1H385E383-H385 PolarHBondContact O-N 3.27Å
384Q31.6Very low47.8Very low200 Ų200129.3 Ų129.394%0.93561%0.61SS**  trans-80.762.6-176-67.9-178.5-20.300111.5E386Q384-E386 PolarHBondContact O-N 2.9Å
385H37.3Very low49.9Very low161 Ų161119.4 Ų119.475%0.74557%0.574SS**  trans-68.5111.2162.5-93-63.8000109.2E383 E387E383-H385 PolarHBondContact O-N 3.27Å; H385-E387 PolarHBondContact O-N 3.19Å
386E36.6Very low52.3Low164 Ų164113.1 Ų113.177%0.76655%0.546SS*.  trans-60.2100.8163.8-72.9-170.8132.100108.9Q384 K388Q384-E386 PolarHBondContact O-N 2.9Å; E386-K388 PolarHBondContact O-N 2.79Å
387E43.9Very low54.8Low136 Ų136104.6 Ų104.664%0.63651%0.506SS*.  trans-67.385.3174.1-68.8-173.6152.800109.3H369 H385 N389H369-E387 IonicContact CE1-OE1 3.03Å; H369-E387 PolarHBondContact CE1-OE1 3.49Å; H369-E387 IonicContact CE1-OE2 2.86Å; H385-E387 PolarHBondContact O-N 3.19Å; E387-N389 PolarHBondContact O-N 2.93Å
388K53.2Low57.1Low152 Ų15298.2 Ų98.266%0.66148%0.479SS*.  trans-60.1105.1-179.9-74.8-178.9178.7175.90110.1E386E386-K388 PolarHBondContact O-N 2.79Å
389N63.9Low59.4Low58 Ų5894 Ų9431%0.3145%0.452SS..  trans-45.2122.3165177.83.9000109.6E387 W391E387-N389 PolarHBondContact O-N 2.93Å; N389-W391 PolarHBondContact O-N 3.22Å; N389-W391 VanDerWaalsContact O-N 3.17Å; N389-W391 PolarHBondContact OD1-N 3.41Å
390P68.5Low61.7Low28 Ų2891.5 Ų91.518%0.18244%0.443CS..SBendtrans-69-12.6-17528.2-36.5000113.5S358 Y365S358-P390 VanDerWaalsContact CB-O 3.27Å; S358-P390 WeakPolarHBondContact CB-O 3.42Å; S358-P390 PolarHBondContact OG-O 3.04Å; Y365-P390 HydrophobicContact CD1-CG 4.13Å; Y365-P390 HydrophobicContact CD2-CG 4.03Å; Y365-P390 HydrophobicContact CE2-CG 4.5Å; Y365-P390 HydrophobicContact CG-CG 3.82Å
391W70.6Confident63.8Low19 Ų1986 Ų867%0.07242%0.423CS..  trans-84.2128.1-177.4-48.2117.7000112F357 P362 Y366 N389 S433 E459F357-W391 CarbonylContact O-C 3.59Å; F357-W391 VanDerWaalsContact O-CA 3.3Å; F357-W391 WeakPolarHBondContact O-CA 3.45Å; P362-W391 HydrophobicContact CB-CH2 3.14Å; P362-W391 HydrophobicContact CB-CZ2 3.77Å; P362-W391 HydrophobicContact CB-CZ3 3.64Å; P362-W391 HydrophobicContact CG-CH2 3.39Å; P362-W391 HydrophobicContact CG-CZ2 4.42Å; P362-W391 HydrophobicContact CG-CZ3 3.73Å; Y366-W391 HydrophobicContact CE2-CZ2 4.32Å; N389-W391 PolarHBondContact O-N 3.22Å; N389-W391 VanDerWaalsContact O-N 3.17Å; N389-W391 PolarHBondContact OD1-N 3.41Å; W391-S433 PolarHBondContact O-OG 3.22Å; W391-E459 HydrophobicContact CH2-CB 3.36Å; W391-E459 HydrophobicContact CH2-CG 3.88Å; W391-E459 VanDerWaalsContact CH2-OE1 3.25Å; W391-E459 WeakPolarHBondContact CH2-OE1 3.46Å; W391-E459 WeakPolarHBondContact CH2-OE2 3.18Å; W391-E459 HydrophobicContact CZ2-CB 4.26Å; W391-E459 HydrophobicContact CZ2-CG 4.4Å; W391-E459 VanDerWaalsContact CZ2-OE1 3.3Å; W391-E459 WeakPolarHBondContact CZ2-OE1 3.25Å; W391-E459 WeakPolarHBondContact CZ2-OE2 2.91Å; W391-E459 HydrophobicContact CZ3-CB 3.59Å
392S70.8Confident65.8Low15 Ų1579.5 Ų79.511%0.10539%0.394CS..SBendtrans-68.6-40.9166.254.10000110.2F357 S433 L454F357-S392 PolarHBondContact O-N 3.29Å; F357-S392 PolarHBondContact O-OG 2.88Å; S392-S433 PolarHBondContact O-OG 3.3Å; S392-L454 PolarHBondContact OG-O 3.47Å; S392-L454 VanDerWaalsContact OG-O 3.12Å
393S79.8Confident68.1Low5 Ų577.1 Ų77.14%0.03538%0.38CS..EExtended strand (participates in β ladder)trans-147.515617663.30000110.9G356 F357 F452G356-S393 WeakPolarHBondContact CA-O 3.42Å; F357-S393 VanDerWaalsContact CD2-OG 3.25Å; F357-S393 WeakPolarHBondContact CD2-OG 3.3Å; F357-S393 PolarHBondContact N-O 3.2Å; S393-F452 WeakPolarHBondContact CB-O 3.18Å; S393-F452 PolarHBondContact OG-O 2.81Å
394S81.9Confident70.3Confident30 Ų3079.5 Ų79.521%0.2139%0.391CS..EExtended strand (participates in β ladder)trans-143.8143.1171.456.60000111.2V355 Q431V355-S394 CarbonylContact O-C 3.51Å; V355-S394 WeakPolarHBondContact O-CA 3.42Å; S394-Q431 PolarHBondContact N-O 2.93Å; S394-Q431 PolarHBondContact OG-O 2.87Å
395I87Confident72.7Confident19 Ų1973 Ų7310%0.09736%0.363CS..EExtended strand (participates in β ladder)trans-134.3128-176.2-53176.1000109.2T354 V355 Y397 I415T354-I395 CarbonylContact C-O 3.55Å; T354-I395 VanDerWaalsContact CA-O 3.3Å; T354-I395 WeakPolarHBondContact CA-O 3.48Å; V355-I395 PolarHBondContact N-O 2.98Å; V355-I395 PolarHBondContact O-N 2.77Å; I395-Y397 HydrophobicContact CB-CE2 4.09Å; I395-Y397 HydrophobicContact CG2-CD1 4.4Å; I395-Y397 HydrophobicContact CG2-CD2 4.25Å; I395-Y397 HydrophobicContact CG2-CE1 3.89Å; I395-Y397 HydrophobicContact CG2-CE2 3.72Å; I395-I415 HydrophobicContact CD1-CG2 3.88Å
396L87.9Confident74.7Confident33 Ų3368 Ų6817%0.17334%0.344CS..EExtended strand (participates in β ladder)trans-100.2122.3171171.262.2000110.4N352 T354 Q398 A427N352-L396 HydrophobicContact CB-CD1 3.97Å; T354-L396 HydrophobicContact CG2-CB 4.17Å; T354-L396 HydrophobicContact CG2-CD1 3.6Å; T354-L396 HydrophobicContact CG2-CG 4.45Å; L396-Q398 HydrophobicContact CD2-CG 4.49Å; L396-Q398 HydrophobicContact CG-CG 4.32Å; L396-A427 WeakPolarHBondContact O-CA 3.41Å
397Y89Confident76.9Confident3 Ų362.6 Ų62.61%0.01232%0.32CS..EExtended strand (participates in β ladder)trans-104.2122.3169.6-54-85.7000109.2N352 I353 V355 I395 L413 P414 I425 A427N352-Y397 CarbonylContact C-O 3.47Å; N352-Y397 WeakPolarHBondContact CA-O 3.43Å; I353-Y397 PolarHBondContact N-O 3.5Å; I353-Y397 PolarHBondContact O-N 2.8Å; V355-Y397 HydrophobicContact CB-CE2 4.26Å; V355-Y397 HydrophobicContact CG2-CD2 4.33Å; V355-Y397 HydrophobicContact CG2-CE2 3.81Å; I395-Y397 HydrophobicContact CB-CE2 4.09Å; I395-Y397 HydrophobicContact CG2-CD1 4.4Å; I395-Y397 HydrophobicContact CG2-CD2 4.25Å; I395-Y397 HydrophobicContact CG2-CE1 3.89Å; I395-Y397 HydrophobicContact CG2-CE2 3.72Å; Y397-L413 HydrophobicContact CD1-CD2 4.19Å; Y397-L413 HydrophobicContact CD2-CB 4.35Å; Y397-L413 HydrophobicContact CD2-CD1 4.26Å; Y397-L413 HydrophobicContact CD2-CD2 3.98Å; Y397-L413 HydrophobicContact CD2-CG 4.43Å; Y397-L413 HydrophobicContact CE1-CB 4.21Å; Y397-L413 HydrophobicContact CE2-CB 3.94Å; Y397-L413 HydrophobicContact CE2-CD1 4.33Å; Y397-L413 HydrophobicContact CE2-CD2 4.43Å; Y397-L413 HydrophobicContact CE2-CG 4.46Å; Y397-L413 HydrophobicContact CG-CD2 3.84Å; Y397-P414 PolarHBondContact OH-O 2.84Å; Y397-I425 HydrophobicContact CD1-CG2 4Å; Y397-A427 HydrophobicContact CD1-CB 4.19Å
398Q86.5Confident78.9Confident78 Ų7856.6 Ų56.636%0.36429%0.293SS..EExtended strand (participates in β ladder)trans-95.3133.9171.2-57.3-174.5-7.100109.3L396 Q426L396-Q398 HydrophobicContact CD2-CG 4.49Å; L396-Q398 HydrophobicContact CG-CG 4.32Å; Q398-Q426 WeakPolarHBondContact CB-O 3.39Å; Q398-Q426 PolarHBondContact N-O 3.4Å
399L86.7Confident80.4Confident24 Ų2453.6 Ų53.613%0.12628%0.278CS..  trans-118.6133-174.7-64.9172.5000110.3I349 P350 R351 I353 P401 I411 I425I349-L399 HydrophobicContact CG2-CD1 4.37Å; P350-L399 HydrophobicContact CB-CD1 4.25Å; P350-L399 WeakPolarHBondContact O-CB 3.42Å; R351-L399 PolarHBondContact O-N 2.92Å; I353-L399 HydrophobicContact CD1-CD1 3.84Å; I353-L399 HydrophobicContact CG1-CD1 3.86Å; L399-P401 WeakPolarHBondContact O-CD 3.33Å; L399-I411 HydrophobicContact CD1-CD1 4.11Å; L399-I411 HydrophobicContact CD1-CG2 4.3Å; L399-I411 HydrophobicContact CD2-CG2 4.04Å; L399-I425 HydrophobicContact CD2-CD1 4.47Å; L399-I425 HydrophobicContact CD2-CG1 4.34Å
400T83.7Confident81.6Confident96 Ų9654.9 Ų54.959%0.58928%0.278SS*.PPolyproline II helixtrans-76.2125.6174.350.20000110.7D402T400-D402 PolarHBondContact O-N 3.49Å
401P76.8Confident82.7Confident71 Ų7154.1 Ų54.146%0.46127%0.272SS..PPolyproline II helixtrans-60.3123.8175.2-24.635.1000111.8L399L399-P401 WeakPolarHBondContact O-CD 3.33Å
402D78.9Confident83.6Confident34 Ų3456.4 Ų56.418%0.18229%0.288CS..PPolyproline II helixtrans-92.6125.4173.4-163.4-32.4000110N341 I349 T400 Q404 N405 R409N341-D402 PolarHBondContact ND2-O 2.87Å; I349-D402 HydrophobicContact CD1-CB 4.45Å; T400-D402 PolarHBondContact O-N 3.49Å; D402-Q404 PolarHBondContact OD1-N 2.8Å; D402-N405 PolarHBondContact OD1-N 2.82Å; D402-N405 VanDerWaalsContact OD1-N 3.1Å; D402-R409 IonicContact OD2-CZ 3.55Å; D402-R409 IonicContact OD2-NH1 3.82Å; D402-R409 PolarHBondContact OD2-NH1 3.23Å; D402-R409 IonicContact OD2-NH2 3.97Å; D402-R409 PolarHBondContact OD2-NH2 2.82Å; D402-R409 VanDerWaalsContact OD2-NH2 3.09Å
403K80.2Confident84.6Confident149 Ų14955.7 Ų55.765%0.64828%0.283SS*.  trans-129.220.8175.7-60.2-172.1178.6-1740111.5
404Q81.1Confident85.1Confident195 Ų19558.6 Ų58.691%0.91130%0.302SS*.SBendtrans-109.5-32.6178.9-63.6-174.22.100111.3D402D402-Q404 PolarHBondContact OD1-N 2.8Å
405N81.5Confident85.2Confident62 Ų6257.2 Ų57.233%0.33229%0.292SS..  trans-120.6134.4173.6-165.1-4000111.9N341 D402 D407N341-N405 PolarHBondContact ND2-O 3Å; D402-N405 PolarHBondContact OD1-N 2.82Å; D402-N405 VanDerWaalsContact OD1-N 3.1Å; N405-D407 PolarHBondContact ND2-OD2 2.69Å; N405-D407 WeakPolarHBondContact OD1-CB 3.06Å; N405-D407 PolarHBondContact OD1-N 2.65Å; N405-D407 PolarHBondContact OD1-OD2 2.98Å
406T81.1Confident84.4Confident58 Ų5861.5 Ų61.536%0.35631%0.312SS..  trans-85.2-16.1173460000113.8N341 F343 L344N341-T406 CarbonylContact C-O 3.58Å; N341-T406 WeakPolarHBondContact O-CA 3.38Å; F343-T406 HydrophobicContact CD1-CG2 3.89Å; F343-T406 HydrophobicContact CE1-CG2 3.56Å; F343-T406 HydrophobicContact CZ-CG2 4.15Å; L344-T406 HydrophobicContact CD1-CG2 4.39Å
407D82Confident82.9Confident50 Ų5065.8 Ų65.827%0.26733%0.331SS..  trans-54.4137-175.9-69.8-33.9000113T272 N405T272-D407 VanDerWaalsContact CB-OD1 3.22Å; T272-D407 WeakPolarHBondContact CB-OD1 3.47Å; T272-D407 PolarHBondContact OG1-OD1 3.3Å; N405-D407 PolarHBondContact ND2-OD2 2.69Å; N405-D407 WeakPolarHBondContact OD1-CB 3.06Å; N405-D407 PolarHBondContact OD1-N 2.65Å; N405-D407 PolarHBondContact OD1-OD2 2.98Å
408S84.9Confident80.7Confident9 Ų971 Ų716%0.06336%0.363CS..  trans-70.9134.5169.3-57.20000111.1Y338 V339 S340Y338-S408 VanDerWaalsContact OH-CB 3.24Å; Y338-S408 WeakPolarHBondContact OH-CB 3.2Å; Y338-S408 PolarHBondContact OH-O 2.73Å; V339-S408 CarbonylContact O-C 3.22Å; V339-S408 WeakPolarHBondContact O-CA 3.49Å; S340-S408 WeakPolarHBondContact CA-OG 3.23Å; S340-S408 VanDerWaalsContact CB-OG 3.27Å; S340-S408 WeakPolarHBondContact CB-OG 3.2Å; S340-S408 PolarHBondContact OG-OG 2.69Å
409R86.1Confident78.3Confident89 Ų8974.1 Ų74.134%0.33638%0.38SS..EExtended strand (participates in β ladder)trans-146.4160-171.671.4-179.8-179.4-147.32115.3V339 I349 D402V339-R409 PolarHBondContact N-O 2.97Å; V339-R409 PolarHBondContact O-N 2.9Å; I349-R409 HydrophobicContact CD1-CG 4.29Å; I349-R409 VanDerWaalsContact CD1-NE 3.34Å; D402-R409 IonicContact OD2-CZ 3.55Å; D402-R409 IonicContact OD2-NH1 3.82Å; D402-R409 PolarHBondContact OD2-NH1 3.23Å; D402-R409 IonicContact OD2-NH2 3.97Å; D402-R409 PolarHBondContact OD2-NH2 2.82Å; D402-R409 VanDerWaalsContact OD2-NH2 3.09Å
410W88.7Confident75.6Confident85 Ų8584.5 Ų84.532%0.32242%0.418SS..EExtended strand (participates in β ladder)trans-73.7133.7169-70.3100.5000111.8T268 R336 Y338 E473 L475T268-W410 HydrophobicContact CG2-CH2 4.24Å; T268-W410 HydrophobicContact CG2-CZ2 3.85Å; R336-W410 HydrophobicContact CB-CE3 3.67Å; R336-W410 HydrophobicContact CB-CZ3 3.85Å; Y338-W410 AromaticContact CD2-CD1 3.77Å; Y338-W410 AromaticContact CD2-CD2 3.86Å; Y338-W410 HydrophobicContact CD2-CD2 3.86Å; Y338-W410 AromaticContact CD2-CE2 3.78Å; Y338-W410 AromaticContact CD2-CG 3.89Å; Y338-W410 HydrophobicContact CD2-CG 3.89Å; Y338-W410 HydrophobicContact CD2-CZ2 4.42Å; Y338-W410 AromaticContact CD2-NE1 3.69Å; Y338-W410 HydrophobicContact CG-CD2 4.39Å; W410-E473 HydrophobicContact CH2-CB 3.92Å; W410-E473 HydrophobicContact CH2-CG 3.75Å; W410-L475 HydrophobicContact CH2-CD1 3.52Å; W410-L475 HydrophobicContact CH2-CG 3.81Å; W410-L475 HydrophobicContact CZ2-CD1 4.15Å; W410-L475 HydrophobicContact CZ3-CD1 4.08Å; W410-L475 HydrophobicContact CZ3-CG 4.15Å
411I90.8Very high73.3Confident12 Ų1285.1 Ų85.16%0.06243%0.426CS..EExtended strand (participates in β ladder)trans-106.7121.4166.3-53.7-179.7000106.9R336 I337 V339 I349 L399 L413R336-I411 CarbonylContact C-O 3.58Å; R336-I411 WeakPolarHBondContact CA-O 3.2Å; I337-I411 PolarHBondContact N-O 2.62Å; I337-I411 PolarHBondContact O-N 2.86Å; V339-I411 HydrophobicContact CB-CD1 4.02Å; V339-I411 HydrophobicContact CB-CG1 4.47Å; V339-I411 HydrophobicContact CG1-CD1 4.47Å; V339-I411 HydrophobicContact CG2-CD1 3.72Å; V339-I411 HydrophobicContact CG2-CG1 4.23Å; I349-I411 HydrophobicContact CG2-CD1 3.93Å; L399-I411 HydrophobicContact CD1-CD1 4.11Å; L399-I411 HydrophobicContact CD1-CG2 4.3Å; L399-I411 HydrophobicContact CD2-CG2 4.04Å; I411-L413 HydrophobicContact CG2-CD2 3.93Å
412V91.3Very high71Confident67 Ų6788.3 Ų88.341%0.40644%0.44SS..EExtended strand (participates in β ladder)trans-101.9128178.7-1770000109.5R336 P414 I425R336-V412 HydrophobicContact CG-CG2 4.3Å; V412-P414 WeakPolarHBondContact O-CD 3.4Å; V412-I425 WeakPolarHBondContact O-CD1 3.42Å
413L91.8Very high69.1Low0 Ų097 Ų970%047%0.472CS..EExtended strand (participates in β ladder)trans-114.190.9-177.7-54.9-180000108.9S334 I335 I337 I353 V355 Y397 I411S334-L413 VanDerWaalsContact CA-O 3.28Å; S334-L413 WeakPolarHBondContact CA-O 3.45Å; S334-L413 WeakPolarHBondContact CB-O 3.47Å; I335-L413 HydrophobicContact CB-CB 4.4Å; I335-L413 PolarHBondContact N-O 3.12Å; I335-L413 WeakPolarHBondContact O-CB 3.22Å; I335-L413 PolarHBondContact O-N 3.38Å; I337-L413 HydrophobicContact CD1-CD1 3.82Å; I337-L413 HydrophobicContact CG1-CD1 4.47Å; I353-L413 HydrophobicContact CB-CD1 4.44Å; I353-L413 HydrophobicContact CD1-CD1 4.27Å; I353-L413 HydrophobicContact CG2-CD1 3.93Å; V355-L413 HydrophobicContact CG2-CD1 4.1Å; Y397-L413 HydrophobicContact CD1-CD2 4.19Å; Y397-L413 HydrophobicContact CD2-CB 4.35Å; Y397-L413 HydrophobicContact CD2-CD1 4.26Å; Y397-L413 HydrophobicContact CD2-CD2 3.98Å; Y397-L413 HydrophobicContact CD2-CG 4.43Å; Y397-L413 HydrophobicContact CE1-CB 4.21Å; Y397-L413 HydrophobicContact CE2-CB 3.94Å; Y397-L413 HydrophobicContact CE2-CD1 4.33Å; Y397-L413 HydrophobicContact CE2-CD2 4.43Å; Y397-L413 HydrophobicContact CE2-CG 4.46Å; Y397-L413 HydrophobicContact CG-CD2 3.84Å; I411-L413 HydrophobicContact CG2-CD2 3.93Å
414P89.5Confident67.3Low67 Ų6793.6 Ų93.644%0.43547%0.471SS..EExtended strand (participates in β ladder)trans-76.8132.2-176.130.5-34.7000112.1Y397 V412Y397-P414 PolarHBondContact OH-O 2.84Å; V412-P414 WeakPolarHBondContact O-CD 3.4Å
415I84.1Confident65.5Low0 Ų087.2 Ų87.20%044%0.442CS..  trans-109.278.6-175.6-50.6157.6000108F332 S333 I335 F357 I395 N450F332-I415 HydrophobicContact CB-CD1 3.53Å; S333-I415 PolarHBondContact O-N 2.94Å; I335-I415 HydrophobicContact CD1-CD1 4.26Å; I335-I415 HydrophobicContact CG1-CD1 4.1Å; F357-I415 HydrophobicContact CE1-CD1 4.29Å; F357-I415 HydrophobicContact CE2-CD1 4.47Å; F357-I415 HydrophobicContact CE2-CG2 4.41Å; F357-I415 HydrophobicContact CZ-CD1 3.58Å; F357-I415 HydrophobicContact CZ-CG1 4.26Å; F357-I415 HydrophobicContact CZ-CG2 4.42Å; I395-I415 HydrophobicContact CD1-CG2 3.88Å; I415-N450 VanDerWaalsContact O-CG 3.26Å; I415-N450 PolarHBondContact O-ND2 3.44Å; I415-N450 PolarHBondContact O-OD1 3.32Å
416H70.2Confident63.8Low109 Ų10990.6 Ų90.651%0.50546%0.456SS..SBendtrans-141.7173.5176-71.8-69.5000110.8V418H416-V418 PolarHBondContact O-N 3.39Å
417E55.1Low62Low124 Ų12489.5 Ų89.558%0.57945%0.453SS*.  trans-66.5129.9165.4-67.1-140.2106.800110.9I419 F452E417-I419 VanDerWaalsContact C-N 3.26Å; E417-I419 HydrophobicContact CB-CG1 4.5Å; E417-I419 PolarHBondContact O-N 3.23Å; E417-F452 HydrophobicContact CG-CD2 4.22Å; E417-F452 HydrophobicContact CG-CE2 3.79Å
418V44.4Very low59.9Low111 Ų11192.2 Ų92.267%0.67347%0.466SS*.  trans-79.973.2-171.7-173.20000110.4H416H416-V418 PolarHBondContact O-N 3.39Å
419I36Very low57.9Low144 Ų14496.4 Ų96.474%0.73849%0.491SS*.  trans-101.880.6172.9-52.2-177.6000109.1E417E417-I419 VanDerWaalsContact C-N 3.26Å; E417-I419 HydrophobicContact CB-CG1 4.5Å; E417-I419 PolarHBondContact O-N 3.23Å
420R29.2Very low56Low242 Ų24296.3 Ų96.391%0.91349%0.493SS*.  trans48.287.4169.8-63.4-176.1-176.9173.13116.7
421S35.1Very low53.8Low109 Ų10998.5 Ų98.576%0.76251%0.507SS*.  trans-120.8151.5149.352.80000110
422N29.9Very low51.5Low139 Ų139101.8 Ų101.874%0.74353%0.528SS*.  trans-88.1175.4-179.8-69.7-45.4000111.3
423Y38.7Very low48.9Very low217 Ų217100.3 Ų100.385%0.85152%0.521SS*.SBendtrans87.7109.8172.6-45.5-64.8000116.9I425Y423-I425 VanDerWaalsContact C-N 3.3Å; Y423-I425 PolarHBondContact O-N 2.71Å
424A42.5Very low46.4Very low77 Ų77109.5 Ų109.564%0.63656%0.563SS**SBendtrans58.9-26.6155.300000121.8
425I43.1Very low44.1Very low60 Ų60110.9 Ų110.931%0.30857%0.567SS.*  trans-106.4111.3-172-54.6-178.8000111.4Y397 L399 V412 Y423 A427Y397-I425 HydrophobicContact CD1-CG2 4Å; L399-I425 HydrophobicContact CD2-CD1 4.47Å; L399-I425 HydrophobicContact CD2-CG1 4.34Å; V412-I425 WeakPolarHBondContact O-CD1 3.42Å; Y423-I425 VanDerWaalsContact C-N 3.3Å; Y423-I425 PolarHBondContact O-N 2.71Å; I425-A427 PolarHBondContact O-N 2.74Å
426Q44.7Very low42Very low134 Ų134113.2 Ų113.263%0.62658%0.582SS**EExtended strand (participates in β ladder)trans-89.294.3167.3-75.6-173.5-24.900109.6Q398Q398-Q426 WeakPolarHBondContact CB-O 3.39Å; Q398-Q426 PolarHBondContact N-O 3.4Å
427A43.1Very low40.4Very low34 Ų34110.7 Ų110.728%0.28159%0.585SS.*EExtended strand (participates in β ladder)trans-88.3107.5172.900000110.2L396 Y397 I425L396-A427 WeakPolarHBondContact O-CA 3.41Å; Y397-A427 HydrophobicContact CD1-CB 4.19Å; I425-A427 PolarHBondContact O-N 2.74Å
428I38.7Very low39.8Very low107 Ų107112 Ų11255%0.54959%0.592SS.*EExtended strand (participates in β ladder)trans-137.5140.6-179.3-59.7-177.5000109.8
429T43.1Very low39.6Very low97 Ų97111.9 Ų111.960%0.59559%0.586SS**EExtended strand (participates in β ladder)trans88.8100.9-174.4-38.20000113.2
430K44.9Very low40Very low87 Ų87108.4 Ų108.438%0.37857%0.569SS.*EExtended strand (participates in β ladder)trans-102.8132.6163.1-68.5-174.7174.1-171.30108.2F452K430-F452 HydrophobicContact CD-CD1 4.23Å; K430-F452 HydrophobicContact CD-CE1 3.75Å; K430-F452 HydrophobicContact CD-CZ 4.19Å
431Q43.8Very low40.4Very low131 Ų131104.8 Ų104.861%0.61256%0.562SS**EExtended strand (participates in β ladder)trans-113.1127.9156.9-77.2-171.7-2400108.5S394S394-Q431 PolarHBondContact N-O 2.93Å; S394-Q431 PolarHBondContact OG-O 2.87Å
432V41.8Very low40.3Very low81 Ų81106.6 Ų106.649%0.49156%0.563SS.*EExtended strand (participates in β ladder)trans-116.5128.1177.5-179.30000107P436 F452V432-P436 HydrophobicContact CG1-CG 4.23Å; V432-F452 HydrophobicContact CG2-CE1 3.91Å
433S38Very low40.9Very low37 Ų37105.8 Ų105.826%0.25956%0.559SS.*  trans-78.8146.4174.649.10000110.5W391 S392 N435 P436W391-S433 PolarHBondContact O-OG 3.22Å; S392-S433 PolarHBondContact O-OG 3.3Å; S433-N435 VanDerWaalsContact C-N 3.31Å; S433-N435 PolarHBondContact O-N 2.74Å; S433-P436 WeakPolarHBondContact O-CD 3.3Å
434H39Very low41.5Very low193 Ų193100.5 Ų100.589%0.89455%0.554SS**SBendtrans-73.180.2175.7-75.2-57.5000110.9
435N39.9Very low41.5Very low95 Ų95102.3 Ų102.351%0.50855%0.553SS.*  trans-168.82.6149.9-103.3-33.8000120.5S433 G437S433-N435 VanDerWaalsContact C-N 3.31Å; S433-N435 PolarHBondContact O-N 2.74Å; N435-G437 PolarHBondContact O-N 3.36Å
436P41.1Very low41.6Very low49 Ų49102.7 Ų102.732%0.31856%0.558SS.*THydrogen-bonded Turntrans-66.3-14.9-175.628.2-35.4000114.4V432 S433 I451V432-P436 HydrophobicContact CG1-CG 4.23Å; S433-P436 WeakPolarHBondContact O-CD 3.3Å; P436-I451 HydrophobicContact CB-CG2 4.16Å
437G36.7Very low41.5Very low56 Ų56104.7 Ų104.758%0.57757%0.567SS**THydrogen-bonded Turntrans-84.2-12.6-175.600000116.5N435 L439N435-G437 PolarHBondContact O-N 3.36Å; G437-L439 VanDerWaalsContact C-N 3.33Å; G437-L439 PolarHBondContact O-N 2.96Å
438Q41.7Very low41.8Very low152 Ų152112.2 Ų112.271%0.7160%0.597SS**THydrogen-bonded Turntrans-78.7-13-175.9-73.4-166.8-18.700114.4
439L41.4Very low42.5Very low108 Ų108110.1 Ų110.157%0.56559%0.586SS**THydrogen-bonded Turntrans-89.86.5176.8-71.1168.4000113.8G437 F486G437-L439 VanDerWaalsContact C-N 3.33Å; G437-L439 PolarHBondContact O-N 2.96Å; L439-F486 HydrophobicContact CD1-CD1 4.27Å; L439-F486 HydrophobicContact CD1-CE1 4.41Å
440I43.4Very low43.3Very low71 Ų71106.2 Ų106.236%0.36456%0.562SS.*  trans-122.376.5-177-48.7179000109.6V446 I451I440-V446 HydrophobicContact CG2-CG1 4.47Å; I440-I451 HydrophobicContact CD1-CD1 4.08Å
441Q37Very low44.3Very low167 Ų167105.7 Ų105.778%0.7856%0.562SS**  trans-100.1128.8163.3-64.4-165.117.300110
442N34.8Very low45.7Very low146 Ų146101.6 Ų101.678%0.78154%0.542SS*.SBendtrans42.788.9161.4-58.8-17.8000118.1
443N42.2Very low47.7Very low123 Ų12397.7 Ų97.766%0.65852%0.519SS*.  trans-162.9161.3132.6-104.7-28.3000112.3D445N443-D445 PolarHBondContact O-N 2.89Å
444S49.8Very low50.1Low106 Ų10696.6 Ų96.674%0.74151%0.51SS*.SBendtrans-70.8-6.3-174.143.90000115.6V446S444-V446 VanDerWaalsContact C-N 3.27Å; S444-V446 PolarHBondContact O-N 3.04Å
445D44Very low52.5Low115 Ų11587.4 Ų87.462%0.61547%0.467SS*.  trans-91.728.2-168.1-38.2-38.2000113N443N443-D445 PolarHBondContact O-N 2.89Å
446V44.8Very low54.9Low68 Ų6885.3 Ų85.341%0.41245%0.454SS..  trans-113.334.3-170.5-164.40000111.7I440 S444I440-V446 HydrophobicContact CG2-CG1 4.47Å; S444-V446 VanDerWaalsContact C-N 3.27Å; S444-V446 PolarHBondContact O-N 3.04Å
447E42.8Very low57.4Low176 Ų17683.8 Ų83.882%0.82244%0.443SS*.SBendtrans-85.6136.7160.1-64.1-163.2149.800109.8L449E447-L449 PolarHBondContact O-N 2.93Å
448Q50.1Low60.2Low192 Ų19281.1 Ų81.190%0.89742%0.415SS*.SBendtrans745.1176.6-47.7-173.26.900119.3N450Q448-N450 PolarHBondContact O-N 2.85Å
449L52.3Low62.6Low62 Ų6274 Ų7433%0.32538%0.382SS..  trans-75.5116.2173.8-159.177.6000112.3E447 I451 L454 M481E447-L449 PolarHBondContact O-N 2.93Å; L449-I451 PolarHBondContact O-N 2.69Å; L449-L454 HydrophobicContact CD2-CD1 4.32Å; L449-M481 HydrophobicContact CD1-CE 3.76Å; L449-M481 HydrophobicContact CD1-SD 4.05Å; L449-M481 HydrophobicContact CD2-CE 3.94Å; L449-M481 HydrophobicContact CG-CE 4.49Å
450N59.7Low65.1Low16 Ų1668.8 Ų68.89%0.08636%0.355CS..  trans-8085.5-179.2175.150.7000112N331 F332 I415 Q448 F452 G453N331-N450 WeakPolarHBondContact OD1-CB 3.37Å; N331-N450 PolarHBondContact OD1-O 2.88Å; F332-N450 PolarHBondContact O-ND2 3.44Å; I415-N450 VanDerWaalsContact O-CG 3.26Å; I415-N450 PolarHBondContact O-ND2 3.44Å; I415-N450 PolarHBondContact O-OD1 3.32Å; Q448-N450 PolarHBondContact O-N 2.85Å; N450-F452 PolarHBondContact O-N 3.39Å; N450-G453 PolarHBondContact ND2-N 2.93Å; N450-G453 PolarHBondContact O-N 2.94Å
451I66Low67.5Low75 Ų7568.1 Ų68.139%0.38535%0.348SS..G310 helixtrans-55.5-29.7-177.5-56.8175.1000112.6P436 I440 L449 G453 L454P436-I451 HydrophobicContact CB-CG2 4.16Å; I440-I451 HydrophobicContact CD1-CD1 4.08Å; L449-I451 PolarHBondContact O-N 2.69Å; I451-G453 VanDerWaalsContact C-N 3.27Å; I451-G453 PolarHBondContact O-N 2.95Å; I451-L454 HydrophobicContact CG2-CD1 4.49Å; I451-L454 PolarHBondContact O-N 3.07Å
452F74.5Confident70.2Confident45 Ų4560.2 Ų60.220%0.19731%0.311CS..G310 helixtrans-67.4-23.3178-63.2-75.3000114.1S393 E417 K430 V432 N450S393-F452 WeakPolarHBondContact CB-O 3.18Å; S393-F452 PolarHBondContact OG-O 2.81Å; E417-F452 HydrophobicContact CG-CD2 4.22Å; E417-F452 HydrophobicContact CG-CE2 3.79Å; K430-F452 HydrophobicContact CD-CD1 4.23Å; K430-F452 HydrophobicContact CD-CE1 3.75Å; K430-F452 HydrophobicContact CD-CZ 4.19Å; V432-F452 HydrophobicContact CG2-CE1 3.91Å; N450-F452 PolarHBondContact O-N 3.39Å
453G82.7Confident72.9Confident0 Ų054.5 Ų54.50%028%0.279CS..G310 helixtrans-98.617.3-179.500000114.4N331 F332 N450 I451N331-G453 CarbonylContact C-O 3.58Å; N331-G453 WeakPolarHBondContact CA-O 3.29Å; F332-G453 VanDerWaalsContact CD2-O 3.28Å; F332-G453 WeakPolarHBondContact CD2-O 3.35Å; F332-G453 PolarHBondContact N-O 3.12Å; N450-G453 PolarHBondContact ND2-N 2.93Å; N450-G453 PolarHBondContact O-N 2.94Å; I451-G453 VanDerWaalsContact C-N 3.27Å; I451-G453 PolarHBondContact O-N 2.95Å
454L88Confident75.3Confident14 Ų1449.2 Ų49.27%0.07325%0.25CS..EExtended strand (participates in β ladder)trans-90.5120.9-178-68.9173.3000112.9Y330 N331 F359 S392 L449 I451 M481Y330-L454 WeakPolarHBondContact O-CA 3.46Å; N331-L454 HydrophobicContact CB-CD2 3.85Å; F359-L454 HydrophobicContact CE1-CB 4.38Å; F359-L454 HydrophobicContact CZ-CB 4.08Å; S392-L454 PolarHBondContact OG-O 3.47Å; S392-L454 VanDerWaalsContact OG-O 3.12Å; L449-L454 HydrophobicContact CD2-CD1 4.32Å; I451-L454 HydrophobicContact CG2-CD1 4.49Å; I451-L454 PolarHBondContact O-N 3.07Å; L454-M481 HydrophobicContact CD2-CE 4.32Å; L454-M481 HydrophobicContact CD2-CG 4.11Å; L454-M481 HydrophobicContact CD2-SD 4.08Å
455G89.3Confident77.1Confident0 Ų046.7 Ų46.70%023%0.229CC..EExtended strand (participates in β ladder)trans-175.3169.2173.600000114.1Y330 S358Y330-G455 PolarHBondContact N-O 3Å; Y330-G455 PolarHBondContact O-N 2.8Å; S358-G455 CarbonylContact O-C 3.59Å; S358-G455 WeakPolarHBondContact O-CA 3.3Å
456Q91.6Very high79.2Confident50 Ų5042.7 Ų42.723%0.23421%0.209CC..EExtended strand (participates in β ladder)trans-106-22.6166.5178.4173.220.100111.8F326 I329 S358F326-Q456 WeakPolarHBondContact CB-O 3.24Å; F326-Q456 WeakPolarHBondContact CD2-O 3.29Å; F326-Q456 PolarHBondContact N-O 3.24Å; F326-Q456 VanDerWaalsContact O-CG 3.31Å; F326-Q456 WeakPolarHBondContact O-CG 3.33Å; F326-Q456 PolarHBondContact O-NE2 3.45Å; I329-Q456 HydrophobicContact CG1-CB 4.43Å; S358-Q456 PolarHBondContact O-N 3.42Å
457F93.4Very high81.1Confident18 Ų1845.2 Ų45.28%0.07922%0.217CC..EExtended strand (participates in β ladder)trans-116.9136.1177.2-65.8-98.1000109.5F324 R325 F357 S358 Q360 D361F324-F457 VanDerWaalsContact O-CA 3.32Å; F324-F457 WeakPolarHBondContact O-CA 3.27Å; R325-F457 HydrophobicContact CB-CD1 3.99Å; R325-F457 HydrophobicContact CB-CE1 3.74Å; R325-F457 HydrophobicContact CB-CZ 4.5Å; R325-F457 HydrophobicContact CG-CD1 4.17Å; R325-F457 HydrophobicContact CG-CE1 3.54Å; R325-F457 HydrophobicContact CG-CZ 3.81Å; F357-F457 WeakPolarHBondContact CA-O 3.44Å; S358-F457 PolarHBondContact N-O 3.03Å; S358-F457 PolarHBondContact O-N 3.29Å; Q360-F457 VanDerWaalsContact C-CE2 3.47Å; Q360-F457 WeakPolarHBondContact O-CD2 3.43Å; D361-F457 HydrophobicContact CB-CD1 4.21Å; D361-F457 HydrophobicContact CB-CE1 3.59Å; D361-F457 HydrophobicContact CB-CZ 3.84Å
458V94.5Very high83.3Confident0 Ų037.1 Ų37.10%018%0.179CC..EExtended strand (participates in β ladder)trans-123.3116.2175.7-170.90000109.2F324 F326 F332 I335 V355 G356 F357 I460 F476F324-V458 PolarHBondContact N-O 3.36Å; F324-V458 PolarHBondContact O-N 3.21Å; F326-V458 HydrophobicContact CD2-CG2 4.32Å; F326-V458 HydrophobicContact CE2-CB 4.36Å; F326-V458 HydrophobicContact CE2-CG2 3.75Å; F332-V458 HydrophobicContact CD2-CG2 4.12Å; F332-V458 HydrophobicContact CE1-CG2 4.05Å; F332-V458 HydrophobicContact CE2-CG2 3.53Å; F332-V458 HydrophobicContact CZ-CG2 3.51Å; I335-V458 HydrophobicContact CD1-CG1 3.88Å; V355-V458 HydrophobicContact CG1-CG1 3.73Å; G356-V458 WeakPolarHBondContact O-CA 3.31Å; F357-V458 HydrophobicContact CD1-CG1 4.27Å; F357-V458 HydrophobicContact CD1-CG2 3.86Å; F357-V458 HydrophobicContact CE1-CG1 3.9Å; F357-V458 HydrophobicContact CE1-CG2 3.87Å; F357-V458 HydrophobicContact CZ-CG1 4.43Å; V458-I460 HydrophobicContact CG1-CG1 4.36Å; V458-F476 HydrophobicContact CB-CE1 4.18Å; V458-F476 HydrophobicContact CG1-CE1 4.06Å; V458-F476 HydrophobicContact CG2-CE1 4.34Å
459E92.9Very high85.2Confident1 Ų128 Ų281%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-94.7132.4170.1-179.2-177.4-98.600110R321 I322 I323 V355 G356 W391 R461R321-E459 HydrophobicContact CG-CG 4.44Å; R321-E459 IonicContact CZ-OE1 2.68Å; R321-E459 IonicContact NE-OE1 3.18Å; R321-E459 PolarHBondContact NE-OE1 3.01Å; R321-E459 IonicContact NH2-OE1 2.77Å; R321-E459 PolarHBondContact NH2-OE1 3.04Å; I322-E459 CarbonylContact O-C 3.48Å; I322-E459 WeakPolarHBondContact O-CA 3.38Å; I323-E459 HydrophobicContact CG1-CG 4.34Å; V355-E459 CarbonylContact C-O 3.58Å; V355-E459 VanDerWaalsContact CA-O 3.3Å; V355-E459 WeakPolarHBondContact CA-O 3.17Å; G356-E459 PolarHBondContact N-O 3.47Å; G356-E459 PolarHBondContact O-N 3.22Å; W391-E459 HydrophobicContact CH2-CB 3.36Å; W391-E459 HydrophobicContact CH2-CG 3.88Å; W391-E459 VanDerWaalsContact CH2-OE1 3.25Å; W391-E459 WeakPolarHBondContact CH2-OE1 3.46Å; W391-E459 WeakPolarHBondContact CH2-OE2 3.18Å; W391-E459 HydrophobicContact CZ2-CB 4.26Å; W391-E459 HydrophobicContact CZ2-CG 4.4Å; W391-E459 VanDerWaalsContact CZ2-OE1 3.3Å; W391-E459 WeakPolarHBondContact CZ2-OE1 3.25Å; W391-E459 WeakPolarHBondContact CZ2-OE2 2.91Å; W391-E459 HydrophobicContact CZ3-CB 3.59Å; E459-R461 HydrophobicContact CG-CG 4.26Å; E459-R461 IonicContact OE2-CZ 2.67Å; E459-R461 IonicContact OE2-NE 3.14Å; E459-R461 PolarHBondContact OE2-NE 2.9Å; E459-R461 IonicContact OE2-NH2 2.8Å; E459-R461 PolarHBondContact OE2-NH2 2.86Å
460I94.3Very high87.1Confident0 Ų025.1 Ų25.10%012%0.121CC..EExtended strand (participates in β ladder)trans-118.3123.6171.2-50.4-178.6000107.6I322 F324 I335 I337 I353 V458 I462 I474 F476I322-I460 PolarHBondContact N-O 3.18Å; I322-I460 PolarHBondContact O-N 2.63Å; F324-I460 HydrophobicContact CD2-CD1 4.37Å; F324-I460 HydrophobicContact CE2-CD1 3.96Å; I335-I460 HydrophobicContact CG2-CD1 4.03Å; I337-I460 HydrophobicContact CD1-CD1 4.41Å; I337-I460 HydrophobicContact CD1-CG2 4.11Å; I353-I460 HydrophobicContact CG2-CG2 3.66Å; V458-I460 HydrophobicContact CG1-CG1 4.36Å; I460-I462 HydrophobicContact CG2-CD1 4.17Å; I460-I462 HydrophobicContact CG2-CG1 3.74Å; I460-I474 HydrophobicContact CD1-CD1 4.48Å; I460-I474 HydrophobicContact CD1-CG2 3.98Å; I460-F476 HydrophobicContact CD1-CE1 4.46Å; I460-F476 HydrophobicContact CD1-CZ 4.25Å
461R92Very high88.7Confident57 Ų5724.3 Ų24.322%0.21512%0.117CC..EExtended strand (participates in β ladder)trans-110.2123.8168.1-41.2-179.7-165.7163.513.4109.6F319 L320 I353 T354 Y366 E459 F463F319-R461 HydrophobicContact CB-CB 4.46Å; F319-R461 HydrophobicContact CD2-CB 3.8Å; F319-R461 HydrophobicContact CD2-CG 4.15Å; F319-R461 HydrophobicContact CE2-CB 4.37Å; F319-R461 HydrophobicContact CE2-CG 4.23Å; F319-R461 HydrophobicContact CG-CB 4.27Å; L320-R461 CarbonylContact O-C 3.39Å; L320-R461 VanDerWaalsContact O-CA 3.24Å; L320-R461 WeakPolarHBondContact O-CA 3.31Å; I353-R461 CarbonylContact C-O 3.44Å; I353-R461 VanDerWaalsContact CA-O 3.31Å; I353-R461 WeakPolarHBondContact CA-O 3.24Å; T354-R461 PolarHBondContact N-O 2.87Å; T354-R461 PolarHBondContact O-N 2.85Å; T354-R461 VanDerWaalsContact OG1-CB 3.32Å; T354-R461 WeakPolarHBondContact OG1-CB 3.46Å; T354-R461 WeakPolarHBondContact OG1-CG 3.16Å; Y366-R461 PolarHBondContact OH-NH2 2.95Å; Y366-R461 VanDerWaalsContact OH-NH2 3.07Å; E459-R461 HydrophobicContact CG-CG 4.26Å; E459-R461 IonicContact OE2-CZ 2.67Å; E459-R461 IonicContact OE2-NE 3.14Å; E459-R461 PolarHBondContact OE2-NE 2.9Å; E459-R461 IonicContact OE2-NH2 2.8Å; E459-R461 PolarHBondContact OE2-NH2 2.86Å; R461-F463 HydrophobicContact CB-CE2 4.14Å
462I94.1Very high89.8Confident1 Ų121 Ų211%0.00510%0.101CC..EExtended strand (participates in β ladder)trans-113.7109.9-173.4-52.2-177.3000108.3F319 L320 I322 I337 P350 I353 I460 L469 V471F319-I462 CarbonylContact C-O 3.53Å; F319-I462 VanDerWaalsContact CA-O 3.31Å; F319-I462 WeakPolarHBondContact CA-O 3.45Å; L320-I462 HydrophobicContact CB-CB 4.37Å; L320-I462 PolarHBondContact N-O 2.96Å; L320-I462 PolarHBondContact O-N 2.97Å; I322-I462 HydrophobicContact CD1-CD1 4.3Å; I337-I462 HydrophobicContact CD1-CD1 4.43Å; P350-I462 HydrophobicContact CB-CG2 3.58Å; P350-I462 HydrophobicContact CG-CG2 3.15Å; I353-I462 HydrophobicContact CG1-CG2 4.39Å; I353-I462 HydrophobicContact CG2-CG1 4.43Å; I460-I462 HydrophobicContact CG2-CD1 4.17Å; I460-I462 HydrophobicContact CG2-CG1 3.74Å; I462-L469 HydrophobicContact CB-CD2 4.06Å; I462-L469 HydrophobicContact CG2-CD1 4.2Å; I462-L469 HydrophobicContact CG2-CD2 3.58Å; I462-V471 HydrophobicContact CD1-CG2 4.28Å
463F92.2Very high90.6Very high25 Ų2519 Ų1911%0.119%0.092CC..EExtended strand (participates in β ladder)trans-85.1129.8-172.2-70.7-98.6000112F319 P350 R351 N352 T354 R461F319-F463 HydrophobicContact CB-CD1 3.77Å; F319-F463 HydrophobicContact CB-CD2 4.26Å; F319-F463 HydrophobicContact CB-CE1 3.92Å; F319-F463 HydrophobicContact CB-CE2 4.39Å; F319-F463 HydrophobicContact CB-CG 3.96Å; F319-F463 HydrophobicContact CB-CZ 4.23Å; F319-F463 HydrophobicContact CD1-CD1 4.25Å; F319-F463 AromaticContact CD1-CE1 3.64Å; F319-F463 HydrophobicContact CD1-CE1 3.64Å; F319-F463 HydrophobicContact CD1-CZ 4.01Å; F319-F463 HydrophobicContact CG-CD1 4.44Å; F319-F463 HydrophobicContact CG-CE1 4.1Å; F319-F463 HydrophobicContact CG-CZ 4.26Å; P350-F463 WeakPolarHBondContact CA-O 3.2Å; R351-F463 HydrophobicContact CG-CB 3.75Å; R351-F463 PolarHBondContact N-O 3.28Å; N352-F463 HydrophobicContact CB-CB 4.08Å; N352-F463 HydrophobicContact CB-CD2 3.79Å; N352-F463 HydrophobicContact CB-CG 4.08Å; N352-F463 PolarHBondContact O-N 2.8Å; T354-F463 HydrophobicContact CG2-CE2 4.02Å; R461-F463 HydrophobicContact CB-CE2 4.14Å
464F91.4Very high91.2Very high12 Ų1219.1 Ų19.15%0.0539%0.093CC..  trans-64.6137.1-178.7-73.9-90.4000111.7W285 R287 D318 L320 R351 L469W285-F464 HydrophobicContact CB-CE1 4.45Å; W285-F464 HydrophobicContact CB-CZ 4.02Å; R287-F464 HydrophobicContact CB-CB 4.29Å; R287-F464 HydrophobicContact CB-CD1 3.76Å; R287-F464 HydrophobicContact CB-CD2 4.38Å; R287-F464 HydrophobicContact CB-CE1 4.12Å; R287-F464 HydrophobicContact CB-CG 3.9Å; R287-F464 HydrophobicContact CG-CB 3.91Å; R287-F464 HydrophobicContact CG-CD1 4.26Å; R287-F464 HydrophobicContact CG-CD2 4.18Å; R287-F464 HydrophobicContact CG-CG 3.87Å; D318-F464 PolarHBondContact O-N 3.47Å; L320-F464 HydrophobicContact CB-CE2 4.43Å; R351-F464 WeakPolarHBondContact CD-O 3.28Å; R351-F464 PolarHBondContact NH1-O 3.33Å; F464-L469 HydrophobicContact CD1-CB 3.87Å; F464-L469 HydrophobicContact CE1-CB 3.53Å; F464-L469 HydrophobicContact CE1-CD2 4.46Å; F464-L469 HydrophobicContact CZ-CB 4.32Å
465N89Confident91.4Very high54 Ų5420.8 Ų20.829%0.28910%0.101SC..SBendtrans-112.5-17.1176.2-168.423.7000112T348 I349 R351T348-N465 WeakPolarHBondContact OG1-CB 3.35Å; I349-N465 VanDerWaalsContact O-CB 3.23Å; I349-N465 WeakPolarHBondContact O-CB 3.47Å; I349-N465 PolarHBondContact O-ND2 2.71Å; R351-N465 HydrophobicContact CB-CB 4.04Å
466S86.7Confident91.6Very high30 Ų3021 Ų2121%0.2110%0.102CC..SBendtrans-146.4-168.6177-172.10000110G346 T348 W468G346-S466 VanDerWaalsContact C-OG 3.31Å; G346-S466 VanDerWaalsContact O-CB 3.24Å; G346-S466 WeakPolarHBondContact O-CB 3.34Å; G346-S466 PolarHBondContact O-OG 3.19Å; T348-S466 WeakPolarHBondContact OG1-CB 3.43Å; T348-S466 PolarHBondContact OG1-N 2.81Å; S466-W468 VanDerWaalsContact C-N 3.33Å
467Q86.2Confident91.5Very high121 Ų12121.5 Ų21.557%0.56511%0.105SC*.SBendtrans-66.2-31.4179.1-63.6-1706.300113.7R286 R287 G346R286-Q467 WeakPolarHBondContact CA-O 3.4Å; R287-Q467 PolarHBondContact N-O 2.86Å; G346-Q467 PolarHBondContact O-N 3.48Å
468W87.8Confident91.4Very high6 Ų622.1 Ų22.12%0.02311%0.109CC..EExtended strand (participates in β ladder)trans-123.9150.7-178.6-67.695.5000112.4A200 P203 L224 F277 W285 R286 G346 L347 S466A200-W468 HydrophobicContact CB-CH2 4.27Å; A200-W468 HydrophobicContact CB-CZ3 3.88Å; P203-W468 HydrophobicContact CG-CH2 4.39Å; P203-W468 HydrophobicContact CG-CZ2 4Å; L224-W468 HydrophobicContact CD1-CE3 4.36Å; L224-W468 HydrophobicContact CD1-CH2 4.47Å; L224-W468 HydrophobicContact CD1-CZ3 3.84Å; F277-W468 HydrophobicContact CE1-CD2 4.42Å; F277-W468 HydrophobicContact CE1-CE3 4.42Å; F277-W468 HydrophobicContact CZ-CB 4.4Å; F277-W468 HydrophobicContact CZ-CD2 4.08Å; F277-W468 HydrophobicContact CZ-CG 4.01Å; W285-W468 WeakPolarHBondContact O-CA 3.2Å; R286-W468 HydrophobicContact CB-CD2 4.21Å; R286-W468 HydrophobicContact CB-CE3 3.93Å; R286-W468 HydrophobicContact CB-CH2 4Å; R286-W468 HydrophobicContact CB-CZ2 4.25Å; R286-W468 HydrophobicContact CB-CZ3 3.84Å; R286-W468 HydrophobicContact CG-CD2 4.19Å; R286-W468 HydrophobicContact CG-CE3 4.42Å; R286-W468 HydrophobicContact CG-CH2 4.31Å; R286-W468 HydrophobicContact CG-CZ2 4.05Å; R286-W468 HydrophobicContact CG-CZ3 4.49Å; G346-W468 PolarHBondContact O-N 3.34Å; L347-W468 HydrophobicContact CB-CB 4Å; L347-W468 HydrophobicContact CD1-CB 3.79Å; L347-W468 HydrophobicContact CG-CB 3.9Å; S466-W468 VanDerWaalsContact C-N 3.33Å
469L91.4Very high91.2Very high2 Ų227.6 Ų27.61%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-131132.6169.3171.563.1000107.7G284 W285 L320 V339 P350 I462 F464 V471G284-L469 CarbonylContact C-O 2.97Å; G284-L469 WeakPolarHBondContact CA-O 3.43Å; W285-L469 PolarHBondContact N-O 2.92Å; W285-L469 PolarHBondContact O-N 2.78Å; L320-L469 HydrophobicContact CB-CD2 4.1Å; L320-L469 HydrophobicContact CD2-CD2 3.92Å; V339-L469 HydrophobicContact CG1-CD1 4.39Å; P350-L469 HydrophobicContact CG-CD1 3.74Å; I462-L469 HydrophobicContact CB-CD2 4.06Å; I462-L469 HydrophobicContact CG2-CD1 4.2Å; I462-L469 HydrophobicContact CG2-CD2 3.58Å; F464-L469 HydrophobicContact CD1-CB 3.87Å; F464-L469 HydrophobicContact CE1-CB 3.53Å; F464-L469 HydrophobicContact CE1-CD2 4.46Å; F464-L469 HydrophobicContact CZ-CB 4.32Å; L469-V471 HydrophobicContact CD1-CG2 4.38Å; L469-V471 HydrophobicContact CG-CG2 4.41Å
470A91.4Very high90.9Very high0 Ų033.3 Ų33.30%016%0.159CC..EExtended strand (participates in β ladder)trans-128.3133.2170.100000111.2P276 F282 I283 S340 L347P276-A470 HydrophobicContact CB-CB 4.05Å; F282-A470 HydrophobicContact CB-CB 4.05Å; F282-A470 HydrophobicContact CD1-CB 3.92Å; F282-A470 HydrophobicContact CG-CB 4.23Å; I283-A470 VanDerWaalsContact O-CA 3.3Å; I283-A470 WeakPolarHBondContact O-CA 3.14Å; S340-A470 PolarHBondContact N-O 3.33Å; L347-A470 HydrophobicContact CD1-CB 3.6Å; L347-A470 HydrophobicContact CD2-CB 4.09Å; L347-A470 HydrophobicContact CG-CB 4.37Å
471V92.7Very high90.4Very high0 Ų034 Ų340%016%0.163CC..EExtended strand (participates in β ladder)trans-124.3134.3177-177.60000108L263 F282 I283 W285 I337 Y338 I462 L469 I474L263-V471 HydrophobicContact CD2-CB 4.27Å; L263-V471 HydrophobicContact CD2-CG1 3.96Å; F282-V471 WeakPolarHBondContact CA-O 3.49Å; I283-V471 PolarHBondContact N-O 2.98Å; I283-V471 PolarHBondContact O-N 3.38Å; W285-V471 HydrophobicContact CH2-CB 4.48Å; W285-V471 HydrophobicContact CZ3-CB 3.99Å; W285-V471 HydrophobicContact CZ3-CG2 3.98Å; I337-V471 HydrophobicContact CG2-CG1 3.72Å; I337-V471 HydrophobicContact CG2-CG2 4.43Å; Y338-V471 WeakPolarHBondContact O-CA 3.47Å; I462-V471 HydrophobicContact CD1-CG2 4.28Å; L469-V471 HydrophobicContact CD1-CG2 4.38Å; L469-V471 HydrophobicContact CG-CG2 4.41Å; V471-I474 HydrophobicContact CG1-CD1 4.16Å; V471-I474 HydrophobicContact CG1-CG1 3.92Å
472G89.9Confident89.5Confident5 Ų534.6 Ų34.65%0.05217%0.173CC..EExtended strand (participates in β ladder)trans-88.1-75.3172.800000110.6K262 L263 Y338K262-G472 CarbonylContact C-O 3.59Å; K262-G472 VanDerWaalsContact O-O 3.06Å; L263-G472 WeakPolarHBondContact CA-O 3.36Å; L263-G472 WeakPolarHBondContact CD2-O 3.44Å; Y338-G472 PolarHBondContact O-N 3.05Å
473E91.6Very high87.8Confident4 Ų436.7 Ų36.72%0.01919%0.185CC..EExtended strand (participates in β ladder)trans-126.1148.9-170.3177.572175.900110.8K262 T264 D265 N266 T268 Y338 W410 L475K262-E473 VanDerWaalsContact O-OE2 3.13Å; T264-E473 WeakPolarHBondContact CA-OE2 3.28Å; T264-E473 PolarHBondContact N-OE2 2.83Å; D265-E473 PolarHBondContact N-OE2 3.08Å; D265-E473 VanDerWaalsContact N-OE2 3.12Å; N266-E473 VanDerWaalsContact CA-OE1 3.23Å; N266-E473 WeakPolarHBondContact CA-OE1 3.33Å; N266-E473 PolarHBondContact N-OE1 2.88Å; N266-E473 PolarHBondContact N-OE2 2.86Å; T268-E473 HydrophobicContact CG2-CB 3.46Å; T268-E473 VanDerWaalsContact CG2-CB 3.46Å; T268-E473 HydrophobicContact CG2-CG 4.11Å; Y338-E473 PolarHBondContact N-O 2.75Å; W410-E473 HydrophobicContact CH2-CB 3.92Å; W410-E473 HydrophobicContact CH2-CG 3.75Å; E473-L475 HydrophobicContact CG-CD2 4Å; E473-L475 HydrophobicContact CG-CG 3.93Å; E473-L475 WeakPolarHBondContact OE1-CD2 3.41Å
474I94.2Very high85.4Confident1 Ų140.6 Ų40.61%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-126.6107173.7-58.9-173.8000109.6L263 I322 F324 I335 R336 I337 I460 V471 F476L263-I474 HydrophobicContact CD1-CD1 4.44Å; L263-I474 PolarHBondContact O-N 3Å; I322-I474 HydrophobicContact CD1-CD1 3.93Å; F324-I474 HydrophobicContact CE2-CD1 4.21Å; F324-I474 HydrophobicContact CE2-CG2 4.24Å; F324-I474 HydrophobicContact CZ-CB 4.02Å; F324-I474 HydrophobicContact CZ-CD1 3.96Å; F324-I474 HydrophobicContact CZ-CG2 3.94Å; I335-I474 HydrophobicContact CG2-CG2 4.08Å; R336-I474 CarbonylContact O-C 3.53Å; R336-I474 WeakPolarHBondContact O-CA 3.37Å; I337-I474 HydrophobicContact CG1-CG1 4.38Å; I337-I474 HydrophobicContact CG1-CG2 4.33Å; I337-I474 HydrophobicContact CG2-CD1 4.46Å; I337-I474 HydrophobicContact CG2-CG1 4.17Å; I460-I474 HydrophobicContact CD1-CD1 4.48Å; I460-I474 HydrophobicContact CD1-CG2 3.98Å; V471-I474 HydrophobicContact CG1-CD1 4.16Å; V471-I474 HydrophobicContact CG1-CG1 3.92Å; I474-F476 HydrophobicContact CG2-CD2 4.49Å; I474-F476 HydrophobicContact CG2-CE2 3.67Å; I474-F476 HydrophobicContact CG2-CZ 3.75Å
475L92.5Very high83.2Confident49 Ų4945.3 Ų45.326%0.25724%0.236SC..EExtended strand (participates in β ladder)trans-100.4143.8178.3-62.4175.8000111.5I335 R336 W410 E473I335-L475 WeakPolarHBondContact CA-O 3.49Å; R336-L475 HydrophobicContact CB-CB 4.31Å; R336-L475 PolarHBondContact N-O 2.96Å; R336-L475 PolarHBondContact O-N 2.91Å; W410-L475 HydrophobicContact CH2-CD1 3.52Å; W410-L475 HydrophobicContact CH2-CG 3.81Å; W410-L475 HydrophobicContact CZ2-CD1 4.15Å; W410-L475 HydrophobicContact CZ3-CD1 4.08Å; W410-L475 HydrophobicContact CZ3-CG 4.15Å; E473-L475 HydrophobicContact CG-CD2 4Å; E473-L475 HydrophobicContact CG-CG 3.93Å; E473-L475 WeakPolarHBondContact OE1-CD2 3.41Å
476F93.4Very high81Confident5 Ų545.1 Ų45.12%0.02223%0.233CC..EExtended strand (participates in β ladder)trans-114.5132.3176.8-62.3-96.8000109.7N189 I191 F324 F326 F332 I335 V458 I460 I474 N478N189-F476 PolarHBondContact ND2-O 3.01Å; I191-F476 HydrophobicContact CD1-CD2 3.8Å; I191-F476 HydrophobicContact CD1-CE2 4.17Å; F324-F476 HydrophobicContact CB-CZ 4.22Å; F324-F476 AromaticContact CD1-CE2 3.75Å; F324-F476 HydrophobicContact CD1-CE2 3.75Å; F324-F476 AromaticContact CD1-CZ 3.83Å; F324-F476 HydrophobicContact CD1-CZ 3.83Å; F324-F476 HydrophobicContact CD2-CE2 4.31Å; F324-F476 AromaticContact CD2-CZ 3.59Å; F324-F476 HydrophobicContact CD2-CZ 3.59Å; F324-F476 AromaticContact CE1-CE2 3.78Å; F324-F476 HydrophobicContact CE1-CE2 3.78Å; F324-F476 HydrophobicContact CE1-CZ 4.04Å; F324-F476 HydrophobicContact CE2-CE2 4.33Å; F324-F476 AromaticContact CE2-CZ 3.8Å; F324-F476 HydrophobicContact CE2-CZ 3.8Å; F324-F476 HydrophobicContact CG-CE2 4.02Å; F324-F476 AromaticContact CG-CZ 3.61Å; F324-F476 HydrophobicContact CG-CZ 3.61Å; F324-F476 HydrophobicContact CZ-CE2 4.08Å; F324-F476 HydrophobicContact CZ-CZ 4.02Å; F326-F476 HydrophobicContact CE1-CB 4.49Å; F326-F476 HydrophobicContact CE1-CG 4.36Å; F326-F476 HydrophobicContact CE2-CD1 4.47Å; F326-F476 HydrophobicContact CE2-CE1 4.42Å; F326-F476 HydrophobicContact CZ-CB 4.3Å; F326-F476 AromaticContact CZ-CD1 3.77Å; F326-F476 HydrophobicContact CZ-CD1 3.77Å; F326-F476 AromaticContact CZ-CD2 3.95Å; F326-F476 HydrophobicContact CZ-CD2 3.95Å; F326-F476 HydrophobicContact CZ-CE1 4.07Å; F326-F476 HydrophobicContact CZ-CE2 4.22Å; F326-F476 AromaticContact CZ-CG 3.73Å; F326-F476 HydrophobicContact CZ-CG 3.73Å; F326-F476 HydrophobicContact CZ-CZ 4.29Å; F332-F476 HydrophobicContact CD1-CB 4.24Å; F332-F476 AromaticContact CD1-CD1 3.96Å; F332-F476 HydrophobicContact CD1-CD1 3.96Å; F332-F476 HydrophobicContact CE1-CB 4.1Å; F332-F476 AromaticContact CE1-CD1 3.77Å; F332-F476 HydrophobicContact CE1-CD1 3.77Å; F332-F476 HydrophobicContact CE1-CG 4.24Å; I335-F476 HydrophobicContact CD1-CD1 4.11Å; I335-F476 HydrophobicContact CD1-CE1 3.9Å; I335-F476 HydrophobicContact CG1-CD1 3.73Å; I335-F476 HydrophobicContact CG1-CE1 3.94Å; I335-F476 HydrophobicContact CG2-CD1 4.47Å; I335-F476 HydrophobicContact CG2-CE1 4.26Å; V458-F476 HydrophobicContact CB-CE1 4.18Å; V458-F476 HydrophobicContact CG1-CE1 4.06Å; V458-F476 HydrophobicContact CG2-CE1 4.34Å; I460-F476 HydrophobicContact CD1-CE1 4.46Å; I460-F476 HydrophobicContact CD1-CZ 4.25Å; I474-F476 HydrophobicContact CG2-CD2 4.49Å; I474-F476 HydrophobicContact CG2-CE2 3.67Å; I474-F476 HydrophobicContact CG2-CZ 3.75Å; F476-N478 PolarHBondContact O-OD1 3.4Å
477E90.8Very high78.4Confident61 Ų6150.3 Ų50.329%0.28525%0.253SS..EExtended strand (participates in β ladder)trans-99.7115.8165-66.7172.5-176.600108.3F332 S333 S334 R336F332-E477 CarbonylContact C-O 3.51Å; F332-E477 WeakPolarHBondContact CA-O 3.25Å; S333-E477 PolarHBondContact N-O 3.19Å; S333-E477 VanDerWaalsContact OG-CB 3.24Å; S333-E477 WeakPolarHBondContact OG-CB 3.25Å; S333-E477 PolarHBondContact OG-O 2.73Å; S334-E477 WeakPolarHBondContact CB-OE2 3.3Å; S334-E477 PolarHBondContact O-N 2.87Å; S334-E477 PolarHBondContact OG-OE1 2.79Å; S334-E477 PolarHBondContact OG-OE2 3.15Å; R336-E477 IonicContact CZ-OE1 3.14Å; R336-E477 IonicContact NE-OE1 3.57Å; R336-E477 PolarHBondContact NE-OE1 2.95Å; R336-E477 IonicContact NH2-OE1 2.69Å; R336-E477 PolarHBondContact NH2-OE1 3.27Å
478N91Very high75.8Confident31 Ų3150 Ų5017%0.16626%0.262CS..EExtended strand (participates in β ladder)trans-151.8139.9-168.754.8-39.3000112.9N189 Y330 N331 F332 F476N189-N478 WeakPolarHBondContact CB-OD1 3.35Å; N189-N478 PolarHBondContact ND2-OD1 2.87Å; N189-N478 PolarHBondContact O-ND2 2.73Å; Y330-N478 HydrophobicContact CD1-CB 3.79Å; Y330-N478 WeakPolarHBondContact CD1-ND2 3.31Å; Y330-N478 VanDerWaalsContact CE1-ND2 3.33Å; Y330-N478 WeakPolarHBondContact CE1-ND2 3.29Å; Y330-N478 HydrophobicContact CG-CB 4.21Å; N331-N478 WeakPolarHBondContact O-CA 3.27Å; F332-N478 HydrophobicContact CD1-CB 3.54Å; F332-N478 HydrophobicContact CE1-CB 3.71Å; F332-N478 HydrophobicContact CG-CB 4.23Å; F476-N478 PolarHBondContact O-OD1 3.4Å
479L89.2Confident73.1Confident115 Ų11557.7 Ų57.760%0.60230%0.298SS*.EExtended strand (participates in β ladder)trans-101.7128.2172.8-174.865.4000110Y330 N331 M481Y330-L479 WeakPolarHBondContact CD1-O 3.37Å; N331-L479 PolarHBondContact N-O 3.29Å; N331-L479 PolarHBondContact O-N 2.83Å; L479-M481 PolarHBondContact O-N 2.88Å
480R86.7Confident70.2Confident121 Ų12167.5 Ų67.546%0.45734%0.335SS..EExtended strand (participates in β ladder)trans-62.1125.3174.3172.2170.2-179.8158.811.1110.2M328 Y330M328-R480 VanDerWaalsContact SD-CD 3.53Å; M328-R480 HydrophobicContact SD-CG 3.56Å; M328-R480 VanDerWaalsContact SD-CG 3.56Å; M328-R480 PolarHBondContact SD-NE 3.41Å; Y330-R480 HydrophobicContact CD1-CB 4.37Å; Y330-R480 HydrophobicContact CE1-CB 3.78Å
481M83.4Confident67.3Low15 Ų1573.5 Ų73.57%0.07437%0.367CS..PPolyproline II helixtrans-80.6141.9173.5-62.7-57.2-66.700111I329 N331 L449 L454 L479 F486I329-M481 HydrophobicContact CG2-CB 4.48Å; I329-M481 HydrophobicContact CG2-CG 4.14Å; I329-M481 WeakPolarHBondContact O-CB 3.23Å; I329-M481 PolarHBondContact O-N 3.48Å; N331-M481 HydrophobicContact CB-CG 4.47Å; N331-M481 HydrophobicContact CB-SD 3.74Å; L449-M481 HydrophobicContact CD1-CE 3.76Å; L449-M481 HydrophobicContact CD1-SD 4.05Å; L449-M481 HydrophobicContact CD2-CE 3.94Å; L449-M481 HydrophobicContact CG-CE 4.49Å; L454-M481 HydrophobicContact CD2-CE 4.32Å; L454-M481 HydrophobicContact CD2-CG 4.11Å; L454-M481 HydrophobicContact CD2-SD 4.08Å; L479-M481 PolarHBondContact O-N 2.88Å; M481-F486 HydrophobicContact CB-CD2 4.24Å; M481-F486 HydrophobicContact CB-CE2 3.85Å; M481-F486 HydrophobicContact CE-CE2 3.67Å; M481-F486 HydrophobicContact CE-CZ 4Å; M481-F486 HydrophobicContact CG-CE2 4.17Å
482P73.3Confident64.4Low68 Ų6878.6 Ų78.644%0.44239%0.394SS..PPolyproline II helixtrans-73.1129175.128.5-33.3000111.3S484 K485P482-S484 PolarHBondContact O-N 2.78Å; P482-K485 PolarHBondContact O-N 3.47Å
483N59.4Low61.7Low46 Ų4683 Ų8325%0.24642%0.422CS..G310 helixtrans-51.2-32.9-175.9-64.46.5000113.7K485 F486 Q487 D907N483-K485 PolarHBondContact O-N 3.33Å; N483-K485 VanDerWaalsContact O-N 3.1Å; N483-F486 PolarHBondContact O-N 2.73Å; N483-F486 VanDerWaalsContact O-N 3.12Å; N483-Q487 PolarHBondContact O-N 2.99Å; N483-D907 PolarHBondContact ND2-OD2 3.29Å
484S41.4Very low59.1Low107 Ų10788.7 Ų88.775%0.74845%0.452SS*.G310 helixtrans-65.2-10.2-174.4550000115.9P482P482-S484 PolarHBondContact O-N 2.78Å
485K44.9Very low56.2Low111 Ų11197.7 Ų97.748%0.48350%0.495SS..G310 helixtrans-103.91175.1-66.2-169.2176.7-175.10114.3P482 N483P482-K485 PolarHBondContact O-N 3.47Å; N483-K485 PolarHBondContact O-N 3.33Å; N483-K485 VanDerWaalsContact O-N 3.1Å
486F43.7Very low53.2Low50 Ų50104.6 Ų104.622%0.21952%0.523CS..THydrogen-bonded Turntrans-132.3-1.8-172.5-68.8-81.5000115.5I329 L439 M481 N483I329-F486 HydrophobicContact CD1-CB 3.93Å; I329-F486 HydrophobicContact CD1-CD1 3.73Å; I329-F486 HydrophobicContact CD1-CE1 4.45Å; I329-F486 HydrophobicContact CD1-CG 3.85Å; L439-F486 HydrophobicContact CD1-CD1 4.27Å; L439-F486 HydrophobicContact CD1-CE1 4.41Å; M481-F486 HydrophobicContact CB-CD2 4.24Å; M481-F486 HydrophobicContact CB-CE2 3.85Å; M481-F486 HydrophobicContact CE-CE2 3.67Å; M481-F486 HydrophobicContact CE-CZ 4Å; M481-F486 HydrophobicContact CG-CE2 4.17Å; N483-F486 PolarHBondContact O-N 2.73Å; N483-F486 VanDerWaalsContact O-N 3.12Å
487Q32Very low50Low139 Ų139111.1 Ų111.165%0.6556%0.558SS**SBendtrans-70.7128.1162.1-68.1-176.3-6.100108.6N483 E489N483-Q487 PolarHBondContact O-N 2.99Å; Q487-E489 PolarHBondContact O-N 3.37Å
488P30.8Very low47.1Very low115 Ų115115.9 Ų115.975%0.74758%0.58SS**  trans-64.4131.9165.228.5-32.3000108R490P488-R490 PolarHBondContact O-N 2.99Å
489E31Very low44.2Very low166 Ų166124 Ų12478%0.77662%0.617SS**  trans-55.9114.2173.6-72-177134.400109.1Q487 N491Q487-E489 PolarHBondContact O-N 3.37Å; E489-N491 PolarHBondContact O-N 3.2Å
490R31.3Very low41.4Very low208 Ų208126.8 Ų126.879%0.78563%0.627SS**  trans-73.287.6166.7-176-170.1-81.1-159.2-4.6107P488 D492P488-R490 PolarHBondContact O-N 2.99Å; R490-D492 WeakPolarHBondContact CD-OD2 3.35Å; R490-D492 PolarHBondContact O-N 3.42Å
491N29.1Very low38.4Very low127 Ų127130.2 Ų130.268%0.67965%0.646SS**  trans-68.278.4171-71.7-32000109.7E489 P493E489-N491 PolarHBondContact O-N 3.2Å; N491-P493 WeakPolarHBondContact O-CD 3.34Å
492D33.8Very low35.7Very low106 Ų106137.5 Ų137.557%0.56768%0.679SS**  trans-65111.8169.8-93.3-53.6000108.3R490 N494R490-D492 WeakPolarHBondContact CD-OD2 3.35Å; R490-D492 PolarHBondContact O-N 3.42Å; D492-N494 PolarHBondContact O-N 3.12Å
493P33.3Very low33.5Very low98 Ų98141 Ų14164%0.63669%0.693SS**THydrogen-bonded Turntrans-72.514.3-161.3-22.435.5000117N491N491-P493 WeakPolarHBondContact O-CD 3.34Å
494N35.3Very low32Very low123 Ų123145.4 Ų145.466%0.65872%0.722SS**THydrogen-bonded Turntrans-118.4-6.7-160.8-70.3-17.1000115.2D492 F496D492-N494 PolarHBondContact O-N 3.12Å; N494-F496 VanDerWaalsContact C-N 3.26Å; N494-F496 PolarHBondContact O-N 3.1Å
495E34.9Very low31.3Very low191 Ų191145.6 Ų145.689%0.89372%0.724SS**  trans-92.441.4179.3-157.4162.3-145.100113
496F27.8Very low30.6Very low194 Ų194146.6 Ų146.685%0.85174%0.739SS**  trans-115.176.3172.9-113-87.9000110.3N494N494-F496 VanDerWaalsContact C-N 3.26Å; N494-F496 PolarHBondContact O-N 3.1Å
497N27.6Very low29.9Very low142 Ų142149.4 Ų149.476%0.75977%0.765SS**  trans-172.8137150.6-99.5-36.4000113.6
498H29.9Very low29.9Very low160 Ų160150.8 Ų150.874%0.74178%0.776SS**  trans50.7106.8162.3-55.1-62.9000119.7
499Q29.2Very low30Very low202 Ų202150.5 Ų150.594%0.94477%0.774SS**  -146.8154.498.2-111.8174.89.400112.2
500E29.7Very low30.1Very low174 Ų174151.4 Ų151.481%0.81377%0.772SS**  trans-82.3148.2-164.6-76.8172.993.200114.8Q502E500-Q502 PolarHBondContact O-N 3.43Å
501F24Very low29.9Very low193 Ų193148.6 Ų148.685%0.84677%0.771SS**  trans-81.891.2177-171.5-110.1000110.8L503F501-L503 HydrophobicContact CD1-CD1 3.75Å; F501-L503 HydrophobicContact CE1-CD1 3.31Å; F501-L503 HydrophobicContact CZ-CD1 3.9Å
502Q28.4Very low29.9Very low168 Ų168149.3 Ų149.379%0.78577%0.774SS**  trans-102.8113.6166.5-72.2-152.6100111.7E500 T504E500-Q502 PolarHBondContact O-N 3.43Å; Q502-T504 PolarHBondContact O-N 3.12Å
503L26.6Very low29.6Very low140 Ų140150.2 Ų150.273%0.73378%0.779SS**  trans-67120.8165.9-79.477.3000109.8F501F501-L503 HydrophobicContact CD1-CD1 3.75Å; F501-L503 HydrophobicContact CE1-CD1 3.31Å; F501-L503 HydrophobicContact CZ-CD1 3.9Å
504T27.4Very low29.5Very low139 Ų139152.4 Ų152.485%0.85378%0.781SS**  trans-128.7134.7143.836.10000109.6Q502Q502-T504 PolarHBondContact O-N 3.12Å
505S26.9Very low29.1Very low112 Ų112154 Ų15478%0.78379%0.785SS**  trans-72.9134-165.451.10000114.4
506T29.2Very low28.8Very low132 Ų132149.8 Ų149.881%0.8178%0.776SS**  -166.8123.1116.112.70000114.6
507S29.8Very low28.8Very low109 Ų109145.2 Ų145.276%0.76277%0.769SS**  trans49.882.7150.958.10000121.3
508L31.7Very low29Very low168 Ų168144.7 Ų144.788%0.8877%0.771SS**  -95.4160.8112-125.274.3000106.8
509P33.3Very low29.1Very low108 Ų108143.8 Ų143.870%0.70177%0.771SS**  -124-167.850.5622.4000112.4
510Y32.4Very low29.4Very low186 Ų186141 Ų14173%0.72976%0.762SS**  cis-160.9144.144.2-147-86.8000114.6
511L27.6Very low29.8Very low148 Ų148140.1 Ų140.178%0.77576%0.763SS**  trans-126.6142.9164.7-108.1168.4000107.1
512L29.6Very low30.6Very low142 Ų142135.8 Ų135.874%0.74375%0.754SS**  trans47.3100.6160.7-65159.8000117.8
513N27.6Very low31.1Very low125 Ų125136.1 Ų136.167%0.66876%0.76SS**  -175157.8109.4-110.82.2000117.1
514E30.7Very low32.1Very low145 Ų145131.7 Ų131.768%0.67875%0.748SS**  trans58.9115.4148.2-65.2-162.3123.600124.8
515Q27.6Very low33.1Very low156 Ų156133.8 Ų133.873%0.72975%0.748SS**  60.8103.9123.5-55.7-167.739.300121.8
516S27Very low34.5Very low103 Ų103133.7 Ų133.772%0.7274%0.743SS**  91.2132.6124.3810000122.4
517S29.2Very low35.9Very low98 Ų98131.5 Ų131.569%0.68573%0.73SS**  trans74.2122.1157.171.40000120.9
518T31.6Very low37.5Very low131 Ų131130 Ų13080%0.80472%0.716SS**  trans64.8144.9155.958.50000119.3
519L31Very low38.7Very low141 Ų141129.9 Ų129.974%0.73871%0.705SS**  cis-163.1158.5-23.3-158.271000108
520N36.8Very low40.6Very low142 Ų142129.4 Ų129.476%0.75970%0.696SS**  trans73.587.9164.5-54.5-34.1000121.1
521N36.8Very low42.6Very low156 Ų156125.6 Ų125.683%0.83469%0.688SS**  -9.2171.4125-86.6-9000120
522P42.5Very low44.3Very low102 Ų102121.3 Ų121.366%0.66267%0.674SS**  cis-144.1-179.2-33.639.6-21.8000113.7
523L37.1Very low46.7Very low175 Ų175119.4 Ų119.492%0.91666%0.663SS**  trans173.7154.2136-117.760.6000111.7
524G48.2Very low48.8Very low47 Ų47117.6 Ų117.649%0.48565%0.653SS.*SBendtrans126.8-121.5162.800000117.3T527G524-T527 PolarHBondContact O-OG1 3.05Å
525Q49.4Very low51.2Low183 Ų183114 Ų11486%0.85564%0.642SS**THydrogen-bonded Turntrans-99.4-10.1-152.1-71.3174.4-39.100117T527Q525-T527 PolarHBondContact O-N 3.02Å
526T55.3Low52.7Low110 Ų110110 Ų11068%0.67563%0.632SS**THydrogen-bonded Turntrans-68.8-10.9174.947.50000113.5I530T526-I530 WeakPolarHBondContact O-CD1 3.49Å; T526-I530 WeakPolarHBondContact O-CG1 3.08Å
527T57.6Low55.6Low86 Ų86109.3 Ų109.353%0.52862%0.62SS.*Hα-helixtrans-72.6-34.1-171.450.10000114.3G524 Q525 L531G524-T527 PolarHBondContact O-OG1 3.05Å; Q525-T527 PolarHBondContact O-N 3.02Å; T527-L531 WeakPolarHBondContact O-CB 3.39Å; T527-L531 PolarHBondContact O-N 3.06Å
528T63.9Low58Low78 Ų78109 Ų10948%0.47961%0.61SS.*Hα-helixtrans-76.9-47.2-173.548.70000113.3I530 L531 A532T528-I530 PolarHBondContact O-N 2.77Å; T528-L531 PolarHBondContact O-N 2.77Å; T528-A532 PolarHBondContact O-N 3.11Å
529Y57.2Low60.4Low165 Ų165107.1 Ų107.165%0.64760%0.598SS**Hα-helixtrans-63.7-40178.9-106.3-91.3000112.3A532 I533Y529-A532 PolarHBondContact O-N 3.22Å; Y529-I533 WeakPolarHBondContact O-CG1 3.09Å; Y529-I533 PolarHBondContact O-N 3.39Å
530I72.4Confident62.6Low98 Ų98103.5 Ų103.550%0.50358%0.579SS.*Hα-helixtrans-68.1-37177.9-63.4175.5000110.8T526 T528 I533 I534T526-I530 WeakPolarHBondContact O-CD1 3.49Å; T526-I530 WeakPolarHBondContact O-CG1 3.08Å; T528-I530 PolarHBondContact O-N 2.77Å; I530-I533 PolarHBondContact O-N 3.4Å; I530-I534 HydrophobicContact CG2-CD1 3.9Å; I530-I534 HydrophobicContact CG2-CG1 4.49Å; I530-I534 WeakPolarHBondContact O-CG1 3.36Å; I530-I534 PolarHBondContact O-N 3.07Å
531L75.3Confident64.5Low106 Ų106101.3 Ų101.356%0.55557%0.567SS**Hα-helixtrans-67-37.4178.5-165.469.2000112.8T527 T528 I533 I534 C535T527-L531 WeakPolarHBondContact O-CB 3.39Å; T527-L531 PolarHBondContact O-N 3.06Å; T528-L531 PolarHBondContact O-N 2.77Å; L531-I533 VanDerWaalsContact C-N 3.3Å; L531-I533 PolarHBondContact O-N 3.07Å; L531-I534 PolarHBondContact O-N 2.6Å; L531-C535 PolarHBondContact O-N 3.33Å; L531-C535 PolarHBondContact O-SG 2.81Å; L531-C535 VanDerWaalsContact O-SG 3.41Å
532A64.3Low67Low59 Ų5998.6 Ų98.649%0.48855%0.551SS.*Hα-helixtrans-63.1-36175.800000112.8T528 Y529 S536T528-A532 PolarHBondContact O-N 3.11Å; Y529-A532 PolarHBondContact O-N 3.22Å; A532-S536 WeakPolarHBondContact O-CB 3.27Å; A532-S536 PolarHBondContact O-N 3.36Å; A532-S536 VanDerWaalsContact O-N 3.17Å; A532-S536 PolarHBondContact O-OG 3.44Å
533I79Confident68.4Low101 Ų10197.3 Ų97.352%0.51854%0.544SS..Hα-helixtrans-68.2-46.2174-64.8166.8000110.3Y529 I530 L531 C535 S536 L537Y529-I533 WeakPolarHBondContact O-CG1 3.09Å; Y529-I533 PolarHBondContact O-N 3.39Å; I530-I533 PolarHBondContact O-N 3.4Å; L531-I533 VanDerWaalsContact C-N 3.3Å; L531-I533 PolarHBondContact O-N 3.07Å; I533-C535 PolarHBondContact O-N 2.92Å; I533-S536 PolarHBondContact O-N 2.81Å; I533-L537 HydrophobicContact CG2-CD1 3.92Å; I533-L537 WeakPolarHBondContact O-CG 3.36Å; I533-L537 PolarHBondContact O-N 3.08Å; I533-L537 VanDerWaalsContact O-N 3.11Å
534I71Confident70.7Confident88 Ų8893.2 Ų93.245%0.45152%0.518SS..Hα-helixtrans-57.6-47.5177.2-71.2167.1000111.3I530 L531 L538I530-I534 HydrophobicContact CG2-CD1 3.9Å; I530-I534 HydrophobicContact CG2-CG1 4.49Å; I530-I534 WeakPolarHBondContact O-CG1 3.36Å; I530-I534 PolarHBondContact O-N 3.07Å; L531-I534 PolarHBondContact O-N 2.6Å; I534-L538 PolarHBondContact O-N 2.92Å; I534-L538 VanDerWaalsContact O-N 3.13Å
535C81.1Confident71.8Confident68 Ų6892.5 Ų92.546%0.45951%0.511SS..Hα-helixtrans-67.1-41.4-178.5-70.10000113L531 I533 L538 V539L531-C535 PolarHBondContact O-N 3.33Å; L531-C535 PolarHBondContact O-SG 2.81Å; L531-C535 VanDerWaalsContact O-SG 3.41Å; I533-C535 PolarHBondContact O-N 2.92Å; C535-L538 VanDerWaalsContact O-CB 3.25Å; C535-L538 WeakPolarHBondContact O-CB 3.25Å; C535-L538 PolarHBondContact O-N 2.9Å; C535-V539 PolarHBondContact O-N 2.82Å
536S60Low73.5Confident73 Ų7388.8 Ų88.851%0.5150%0.497SS..Hα-helixtrans-66.9-38.5179.6-58.10000112.4A532 I533 L538 V539 I540A532-S536 WeakPolarHBondContact O-CB 3.27Å; A532-S536 PolarHBondContact O-N 3.36Å; A532-S536 VanDerWaalsContact O-N 3.17Å; A532-S536 PolarHBondContact O-OG 3.44Å; I533-S536 PolarHBondContact O-N 2.81Å; S536-L538 VanDerWaalsContact C-N 3.3Å; S536-L538 PolarHBondContact O-N 2.96Å; S536-V539 PolarHBondContact O-N 2.84Å; S536-I540 WeakPolarHBondContact O-CG1 3.46Å; S536-I540 PolarHBondContact O-N 2.77Å
537L87.3Confident74.2Confident88 Ų8889.3 Ų89.346%0.46149%0.49SS..Hα-helixtrans-65.1-33.8172.8-72.4169.7000112.4I533 I540 L541I533-L537 HydrophobicContact CG2-CD1 3.92Å; I533-L537 WeakPolarHBondContact O-CG 3.36Å; I533-L537 PolarHBondContact O-N 3.08Å; I533-L537 VanDerWaalsContact O-N 3.11Å; L537-I540 PolarHBondContact O-N 3.05Å; L537-L541 PolarHBondContact O-N 2.8Å; L537-L541 VanDerWaalsContact O-N 3.08Å
538L80.4Confident75.4Confident93 Ų9387.9 Ų87.949%0.48748%0.483SS..Hα-helixtrans-61.8-44.4176.3-124.9166.8000112I534 C535 S536 L541 I542I534-L538 PolarHBondContact O-N 2.92Å; I534-L538 VanDerWaalsContact O-N 3.13Å; C535-L538 VanDerWaalsContact O-CB 3.25Å; C535-L538 WeakPolarHBondContact O-CB 3.25Å; C535-L538 PolarHBondContact O-N 2.9Å; S536-L538 VanDerWaalsContact C-N 3.3Å; S536-L538 PolarHBondContact O-N 2.96Å; L538-L541 PolarHBondContact O-N 3.14Å; L538-I542 HydrophobicContact CD2-CD1 3.73Å; L538-I542 HydrophobicContact CD2-CG1 4.31Å; L538-I542 WeakPolarHBondContact O-CG1 3.3Å; L538-I542 PolarHBondContact O-N 3.3Å; L538-I542 VanDerWaalsContact O-N 3.08Å
539V81Confident76.1Confident91 Ų9189.7 Ų89.755%0.55249%0.489SS*.Hα-helixtrans-60.6-45.8176.6175.60000111.1C535 S536 L541 I542 C543C535-V539 PolarHBondContact O-N 2.82Å; S536-V539 PolarHBondContact O-N 2.84Å; V539-L541 PolarHBondContact O-N 2.76Å; V539-I542 PolarHBondContact O-N 2.75Å; V539-C543 PolarHBondContact O-N 2.87Å; V539-C543 PolarHBondContact O-SG 3.47Å
540I77.2Confident76.8Confident64 Ų6489.3 Ų89.333%0.32849%0.491SS..Hα-helixtrans-62.6-44.9-179.2-65.1166.1000111.1F16 S536 L537 I542 C543 F544F16-I540 HydrophobicContact CD1-CD1 4.49Å; F16-I540 HydrophobicContact CE1-CD1 3.63Å; F16-I540 HydrophobicContact CE1-CG1 4.02Å; F16-I540 HydrophobicContact CZ-CD1 4.09Å; F16-I540 HydrophobicContact CZ-CG1 3.94Å; S536-I540 WeakPolarHBondContact O-CG1 3.46Å; S536-I540 PolarHBondContact O-N 2.77Å; L537-I540 PolarHBondContact O-N 3.05Å; I540-I542 PolarHBondContact O-N 2.87Å; I540-C543 PolarHBondContact O-N 2.79Å; I540-F544 WeakPolarHBondContact O-CB 3.36Å; I540-F544 PolarHBondContact O-N 3.41Å
541L78.4Confident76.9Confident97 Ų9787.9 Ų87.951%0.50849%0.489SS..Hα-helixtrans-66.3-34.6178.6-77.8165.7000113L537 L538 V539 G545L537-L541 PolarHBondContact O-N 2.8Å; L537-L541 VanDerWaalsContact O-N 3.08Å; L538-L541 PolarHBondContact O-N 3.14Å; V539-L541 PolarHBondContact O-N 2.76Å; L541-G545 PolarHBondContact O-N 2.94Å
542I87.7Confident76.6Confident99 Ų9987.1 Ų87.151%0.50849%0.488SS..Hα-helixtrans-68.3-46.1174.9-70.1167.8000110.8L538 V539 I540 F544 G545 L546L538-I542 HydrophobicContact CD2-CD1 3.73Å; L538-I542 HydrophobicContact CD2-CG1 4.31Å; L538-I542 WeakPolarHBondContact O-CG1 3.3Å; L538-I542 PolarHBondContact O-N 3.3Å; L538-I542 VanDerWaalsContact O-N 3.08Å; V539-I542 PolarHBondContact O-N 2.75Å; I540-I542 PolarHBondContact O-N 2.87Å; I542-F544 VanDerWaalsContact C-N 3.3Å; I542-F544 PolarHBondContact O-N 3.3Å; I542-G545 PolarHBondContact O-N 3.09Å; I542-G545 VanDerWaalsContact O-N 3.17Å; I542-L546 HydrophobicContact CG2-CD1 4.34Å; I542-L546 WeakPolarHBondContact O-CG 3.17Å; I542-L546 PolarHBondContact O-N 2.62Å
543C72.3Confident77Confident75 Ų7591.6 Ų91.651%0.50749%0.493SS..Hα-helixtrans-60.9-38.7175.7-70.90000112.2V539 I540 L546 F547V539-C543 PolarHBondContact O-N 2.87Å; V539-C543 PolarHBondContact O-SG 3.47Å; I540-C543 PolarHBondContact O-N 2.79Å; C543-L546 PolarHBondContact O-N 2.78Å; C543-F547 PolarHBondContact O-N 2.96Å
544F85.6Confident76.2Confident88 Ų8888.9 Ų88.939%0.38649%0.489SS..Hα-helixtrans-65.6-40.2174-166-94.5000112.2F12 I540 I542 L546 F547 C548F12-F544 AromaticContact CD1-CE2 3.97Å; F12-F544 HydrophobicContact CD1-CE2 3.97Å; F12-F544 HydrophobicContact CD2-CE2 4.19Å; F12-F544 AromaticContact CE1-CE2 3.85Å; F12-F544 HydrophobicContact CE1-CE2 3.85Å; F12-F544 HydrophobicContact CE2-CE2 4.07Å; F12-F544 HydrophobicContact CE2-CZ 4.33Å; F12-F544 HydrophobicContact CG-CE2 4.14Å; F12-F544 AromaticContact CZ-CE2 3.9Å; F12-F544 HydrophobicContact CZ-CE2 3.9Å; F12-F544 HydrophobicContact CZ-CZ 4.49Å; I540-F544 WeakPolarHBondContact O-CB 3.36Å; I540-F544 PolarHBondContact O-N 3.41Å; I542-F544 VanDerWaalsContact C-N 3.3Å; I542-F544 PolarHBondContact O-N 3.3Å; F544-L546 PolarHBondContact O-N 3.31Å; F544-F547 PolarHBondContact O-N 3.2Å; F544-C548 VanDerWaalsContact CE1-SG 3.59Å; F544-C548 PolarHBondContact O-N 2.69Å; F544-C548 PolarHBondContact O-SG 3.03Å
545G72.5Confident75.7Confident32 Ų3294.5 Ų94.533%0.3351%0.505SS..Hα-helixtrans-60.5-41.9173.300000113.2L541 I542 C548 L549L541-G545 PolarHBondContact O-N 2.94Å; I542-G545 PolarHBondContact O-N 3.09Å; I542-G545 VanDerWaalsContact O-N 3.17Å; G545-C548 PolarHBondContact O-N 2.73Å; G545-L549 PolarHBondContact O-N 3Å
546L83.9Confident74.6Confident105 Ų10598.4 Ų98.455%0.5552%0.516SS..Hα-helixtrans-66.3-40.3174.9-69.4172.6000112.3I542 C543 F544 L549 F550I542-L546 HydrophobicContact CG2-CD1 4.34Å; I542-L546 WeakPolarHBondContact O-CG 3.17Å; I542-L546 PolarHBondContact O-N 2.62Å; C543-L546 PolarHBondContact O-N 2.78Å; F544-L546 PolarHBondContact O-N 3.31Å; L546-L549 PolarHBondContact O-N 3.44Å; L546-F550 PolarHBondContact O-N 3.06Å
547F71.1Confident74.4Confident121 Ų121103.7 Ų103.753%0.53153%0.525SS..Hα-helixtrans-62.6-43.6173.8-178.5-101.7000112C543 F544 F550 C551C543-F547 PolarHBondContact O-N 2.96Å; F544-F547 PolarHBondContact O-N 3.2Å; F547-F550 PolarHBondContact O-N 2.74Å; F547-C551 WeakPolarHBondContact O-CB 3.01Å; F547-C551 PolarHBondContact O-N 3.44Å; F547-C551 PolarHBondContact O-SG 2.91Å
548C81.8Confident72.4Confident56 Ų56106.8 Ų106.838%0.37854%0.541SS..Hα-helixtrans-62.3-41.4174.3-740000112.5F544 G545 C551 V552F544-C548 VanDerWaalsContact CE1-SG 3.59Å; F544-C548 PolarHBondContact O-N 2.69Å; F544-C548 PolarHBondContact O-SG 3.03Å; G545-C548 PolarHBondContact O-N 2.73Å; C548-C551 WeakPolarHBondContact O-CB 3.22Å; C548-C551 PolarHBondContact O-N 2.6Å; C548-V552 WeakPolarHBondContact O-CG2 3.07Å; C548-V552 PolarHBondContact O-N 3.45Å
549L78.2Confident70.4Confident116 Ų116109.6 Ų109.661%0.60755%0.551SS**Hα-helixtrans-62.9-43.7174.5-83.4165.5000112.1G545 L546 C551 V552 W553G545-L549 PolarHBondContact O-N 3Å; L546-L549 PolarHBondContact O-N 3.44Å; L549-C551 VanDerWaalsContact C-N 3.3Å; L549-C551 PolarHBondContact O-N 2.89Å; L549-V552 PolarHBondContact O-N 3.35Å; L549-W553 WeakPolarHBondContact O-CB 3.47Å; L549-W553 PolarHBondContact O-N 3.18Å
550F72Confident68.5Low158 Ų158112.6 Ų112.669%0.69356%0.563SS**Hα-helixtrans-62.2-38175.3-121.8-87.3000112.1L546 F547 G554L546-F550 PolarHBondContact O-N 3.06Å; F547-F550 PolarHBondContact O-N 2.74Å; F550-G554 PolarHBondContact O-N 3.16Å
551C75.7Confident66.7Low68 Ų68114.2 Ų114.246%0.45958%0.58SS.*Hα-helixtrans-65.1-40.1173.9-74.30000113.1F547 C548 L549 R555F547-C551 WeakPolarHBondContact O-CB 3.01Å; F547-C551 PolarHBondContact O-N 3.44Å; F547-C551 PolarHBondContact O-SG 2.91Å; C548-C551 WeakPolarHBondContact O-CB 3.22Å; C548-C551 PolarHBondContact O-N 2.6Å; L549-C551 VanDerWaalsContact C-N 3.3Å; L549-C551 PolarHBondContact O-N 2.89Å; C551-R555 WeakPolarHBondContact O-CB 3.16Å; C551-R555 PolarHBondContact O-N 2.83Å
552V69.2Low64.7Low89 Ų89117.6 Ų117.654%0.53959%0.591SS.*Hα-helixtrans-68.7-49.1176.3172.10000110.6C548 L549 R555 E556C548-V552 WeakPolarHBondContact O-CG2 3.07Å; C548-V552 PolarHBondContact O-N 3.45Å; L549-V552 PolarHBondContact O-N 3.35Å; V552-R555 WeakPolarHBondContact O-CB 3.37Å; V552-R555 PolarHBondContact O-N 3.23Å; V552-R555 VanDerWaalsContact O-N 3.13Å; V552-E556 PolarHBondContact O-N 3.03Å
553W71.2Confident62Low154 Ų154122 Ų12258%0.58360%0.601SS**Hα-helixtrans-70.7-34.7-175.4-156.742.8000112.9L549 R555 E556 R557L549-W553 WeakPolarHBondContact O-CB 3.47Å; L549-W553 PolarHBondContact O-N 3.18Å; W553-R555 VanDerWaalsContact C-N 3.28Å; W553-R555 PolarHBondContact O-N 2.98Å; W553-E556 PolarHBondContact O-N 2.82Å; W553-R557 PolarHBondContact O-N 3.04Å
554G61.9Low60.3Low43 Ų43125.4 Ų125.444%0.44361%0.609SS.*Hα-helixtrans-63.1-33.5170.400000112.9F550 E556 R557 L558F550-G554 PolarHBondContact O-N 3.16Å; G554-E556 VanDerWaalsContact C-N 3.35Å; G554-R557 PolarHBondContact O-N 3.38Å; G554-L558 PolarHBondContact O-N 3.41Å
555R60.8Low58Low206 Ų206130.9 Ų130.978%0.77763%0.633SS**Hα-helixtrans-73.8-23.8179-159.2170.6-1691623.2113.3C551 V552 W553C551-R555 WeakPolarHBondContact O-CB 3.16Å; C551-R555 PolarHBondContact O-N 2.83Å; V552-R555 WeakPolarHBondContact O-CB 3.37Å; V552-R555 PolarHBondContact O-N 3.23Å; V552-R555 VanDerWaalsContact O-N 3.13Å; W553-R555 VanDerWaalsContact C-N 3.28Å; W553-R555 PolarHBondContact O-N 2.98Å
556E58.7Low56.3Low150 Ų150138.4 Ų138.470%0.70166%0.657SS**Hα-helixtrans-80.7-24.5173.4-67.8-173.7140.600113.5V552 W553 G554V552-E556 PolarHBondContact O-N 3.03Å; W553-E556 PolarHBondContact O-N 2.82Å; G554-E556 VanDerWaalsContact C-N 3.35Å
557R56.4Low54.1Low185 Ų185141.7 Ų141.770%0.69867%0.669SS**Hα-helixtrans-91.6-16.6-178-91.8-174.5170-175.5-2.1116.2W553 G554W553-R557 PolarHBondContact O-N 3.04Å; G554-R557 PolarHBondContact O-N 3.38Å
558L44.3Very low52.4Low152 Ų152146.8 Ų146.880%0.79669%0.685SS**SBendtrans-129.358.6178.7-76.9175.1000113.2G554G554-L558 PolarHBondContact O-N 3.41Å
559H39.3Very low50.4Low152 Ų152149.1 Ų149.170%0.70470%0.698SS**  trans-144.653.1160.7-128.7-69.1000114.1S561H559-S561 PolarHBondContact O-N 2.89Å
560I40.5Very low48.3Very low154 Ų154150 Ų15079%0.7970%0.703SS**  trans-66.586.3166-59178.4000108.7F562I560-F562 HydrophobicContact CG2-CD2 4.21Å; I560-F562 PolarHBondContact O-N 2.89Å; I560-F562 VanDerWaalsContact O-N 3.08Å
561S39.3Very low46.5Very low99 Ų99151.3 Ų151.369%0.69271%0.708SS**  trans-82.680.2-177.4-1670000111.1H559 R563H559-S561 PolarHBondContact O-N 2.89Å; S561-R563 PolarHBondContact O-N 2.86Å
562F36.2Very low44.5Very low168 Ų168158.3 Ų158.374%0.73773%0.725SS**  trans-88.985.2-174.8-135.8-86.6000112.9I560I560-F562 HydrophobicContact CG2-CD2 4.21Å; I560-F562 PolarHBondContact O-N 2.89Å; I560-F562 VanDerWaalsContact O-N 3.08Å
563R31Very low42.8Very low190 Ų190162.8 Ų162.872%0.71774%0.737SS**  trans71.6155.9177.5-46.2176.9173-172.5-1.3113.8S561S561-R563 PolarHBondContact O-N 2.86Å
564H36.3Very low41.2Very low147 Ų147159.5 Ų159.568%0.68174%0.738SS**  cis-123.31399.4-100.4-94.4000113F566H564-F566 PolarHBondContact O-N 3.41Å
565K36.6Very low39.9Very low204 Ų204164.4 Ų164.489%0.88775%0.754SS**  trans-70.6118.6157.1-87.3-176.3174.3178.20108.8
566F36.7Very low38.8Very low189 Ų189159.2 Ų159.283%0.82975%0.749SS**  trans-107.484.4159.6-107.1-77.4000109.4H564H564-F566 PolarHBondContact O-N 3.41Å
567H38.1Very low37.8Very low175 Ų175157.8 Ų157.881%0.8175%0.751SS**  trans-106.3109.5166.9-143.3-74.6000108.2
568R36.7Very low37Very low228 Ų228155.5 Ų155.586%0.8675%0.748SS**  trans-105.588.6-165.7-171.5-171.9-167.9-176.25.3111.6
569T38.6Very low36.4Very low105 Ų105156.2 Ų156.264%0.64475%0.745SS**  trans-158.5126.4163.410.50000114.5
570N35.2Very low36.4Very low133 Ų133155.1 Ų155.171%0.71175%0.745SS**  trans67.5112.8145.6-62.6-24.8000122.9
571K34.3Very low36.1Very low186 Ų186152.1 Ų152.181%0.80974%0.737SS**  61.7112.6126.7-77.5177.9176.5175.30117.9
572R32.4Very low35.8Very low216 Ų216155 Ų15582%0.81575%0.745SS**  173155.262.1-105.9174.6170.9165.3-4.8110
573F33.9Very low35.8Very low182 Ų182151 Ų15180%0.79874%0.737SS**  trans57.1114.8148.5-82.1-103000118.9
574S37Very low36Very low85 Ų85148.7 Ų148.759%0.59474%0.739SS**  91.9136.78674.10000112
575D35Very low36Very low146 Ų146147.5 Ų147.578%0.78174%0.742SS**  cis-153.1170.26.8-96.5-33.1000112.4
576S37.7Very low36Very low98 Ų98143.9 Ų143.969%0.68573%0.733SS**  trans30.5125.3146.875.20000120
577T38.5Very low36.1Very low120 Ų120141.5 Ų141.574%0.73673%0.729SS**  169172.17042.10000107.3
578Q38.4Very low35.9Very low137 Ų137141.3 Ų141.364%0.6473%0.725SS**  cis-161.2143.1-21.8-109.6-172.9-90.500108
579F33.7Very low35.8Very low166 Ų166136.9 Ų136.973%0.72872%0.717SS**  trans66.8154.6141.9-71.9-145.1000118.2
580D37.8Very low35.4Very low129 Ų129139.1 Ų139.169%0.6973%0.725SS**  cis-151.1165.21.4-139.6-24.1000114.8
581S35.5Very low35.5Very low91 Ų91139.4 Ų139.464%0.63673%0.733SS**  trans48.4125.1155.961.90000121.7
582N32.1Very low35.5Very low161 Ų161138.5 Ų138.586%0.86173%0.731SS**  73.5141.863.2-87.2-25.4000115.5
583S36.8Very low35.4Very low82 Ų82135.1 Ų135.157%0.57373%0.729SS**  cis-164.9166.45.756.30000114.3
584N34.6Very low35.3Very low142 Ų142133.3 Ų133.376%0.75973%0.733SS**  trans63.8153.9153-55.8-27.8000118
585V37.3Very low35Very low122 Ų122134 Ų13474%0.73974%0.737SS**  cis-150123.736.71670000113.2
586N36.7Very low34.9Very low129 Ų129135 Ų13569%0.6974%0.742SS**  trans47.5146.3140.6-53.9-15.8000125.9
587N37.5Very low34.4Very low139 Ų139137.3 Ų137.374%0.74375%0.746SS**  trans81136.4151.2-62.3-29.7000119.1
588K34.3Very low34Very low170 Ų170136.6 Ų136.674%0.73974%0.741SS**  cis-162.6147.6-11.4-125.9-179.8173.2-175.20112.7
589I35Very low33.8Very low135 Ų135137.3 Ų137.369%0.69275%0.745SS**  trans69.2124151.3-68.6160.9000119.2
590N30.7Very low33.7Very low152 Ų152135.6 Ų135.681%0.81374%0.739SS**  trans-86.3152.7160.8-52.2-46.2000110.6
591T36.1Very low33.3Very low140 Ų140134.2 Ų134.286%0.85973%0.731SS**  trans-150.7149.1142.68.30000110.5
592Q34.8Very low33.2Very low167 Ų167137 Ų13778%0.7873%0.732SS**  trans-115.3165-178-59.9174.8-81.100111.5
593N29.9Very low33.2Very low145 Ų145135.8 Ų135.878%0.77572%0.724SS**  trans74.9173.9156.5-55.9-26.9000118
594V32.7Very low32.9Very low144 Ų144137.1 Ų137.187%0.87372%0.724SS**  trans85109.6-176.4-169.40000115
595S30.7Very low32.8Very low98 Ų98137 Ų13769%0.68572%0.724SS**  trans-68.7148.2169.550.70000113.7
596L31.5Very low32.4Very low168 Ų168136.9 Ų136.988%0.8872%0.718SS**  -162.4179.2126.9-135.671.3000113.6
597L28.4Very low32Very low146 Ų146136.2 Ų136.276%0.76471%0.713SS**  trans-57.6156.5177.8-105.466.9000116.1
598T30.4Very low31.7Very low105 Ų105136.2 Ų136.264%0.64471%0.712SS**  trans70.7111.9141.7-56.90000120.2Q600T598-Q600 HydrophobicContact CG2-CB 4.07Å; T598-Q600 HydrophobicContact CG2-CG 4.39Å; T598-Q600 VanDerWaalsContact CG2-N 3.28Å
599E33.6Very low31.4Very low153 Ų153136.1 Ų136.172%0.71572%0.72SS**  trans-113.594.7132.2-95.9-105.2163.800107.9K602E599-K602 IonicContact OE1-NZ 2.65Å; E599-K602 PolarHBondContact OE1-NZ 3.16Å; E599-K602 IonicContact OE2-NZ 2.67Å; E599-K602 PolarHBondContact OE2-NZ 2.95Å
600Q32.5Very low31.1Very low130 Ų130135.5 Ų135.561%0.60772%0.717SS**  trans-92.2160.3149.5-83.9-162.7-14.400107.6T598T598-Q600 HydrophobicContact CG2-CB 4.07Å; T598-Q600 HydrophobicContact CG2-CG 4.39Å; T598-Q600 VanDerWaalsContact CG2-N 3.28Å
601L28.8Very low30.8Very low99 Ų99134.5 Ų134.552%0.51872%0.716SS.*  trans71.574162.1-62153.1000117.2
602K32.5Very low30.4Very low151 Ų151133 Ų13366%0.65771%0.706SS**SBendtrans-131.3122.3141.4-71.4-164.4-167.480.30108.5E599E599-K602 IonicContact OE1-NZ 2.65Å; E599-K602 PolarHBondContact OE1-NZ 3.16Å; E599-K602 IonicContact OE2-NZ 2.67Å; E599-K602 PolarHBondContact OE2-NZ 2.95Å
603I32.3Very low30Very low135 Ų135130.1 Ų130.169%0.69270%0.7SS**  cis-136.7138.8-9.1-77.7166.1000107.4
604N30.1Very low30Very low109 Ų109129.4 Ų129.458%0.58370%0.701SS**  trans-85.9108.5167.4-92.8-28.9000110.4H670N604-H670 PolarHBondContact ND2-NE2 2.97Å
605N33.4Very low29.8Very low140 Ų140127.5 Ų127.575%0.74969%0.69SS**  trans-147.8116.5156.6-79.8-40000104.6
606L27.7Very low29.8Very low119 Ų119129.1 Ų129.162%0.62369%0.691SS**  cis69.3141.735-152.4131.8000112.7
607M29.4Very low29.7Very low116 Ų116129.5 Ų129.557%0.57169%0.694SS**  trans74.2112.2-152.2-51.6-59.9176.200111.7
608N31.1Very low29.8Very low138 Ų138127.4 Ų127.474%0.73869%0.687SS**  86.5143.352.2-72.4-23.7000113.2I610N608-I610 PolarHBondContact O-N 2.71Å
609N27.4Very low29.8Very low169 Ų169130.6 Ų130.690%0.90470%0.699SS**  trans-48.4108.4168.5-59.1-19.9000111
610I28.3Very low29.6Very low121 Ų121126.5 Ų126.562%0.62170%0.698SS**  trans-130.8107161.8-54-176.9000108N608 V612N608-I610 PolarHBondContact O-N 2.71Å; I610-V612 HydrophobicContact CB-CG2 4.38Å; I610-V612 HydrophobicContact CG2-CG2 3.58Å; I610-V612 PolarHBondContact O-N 3.21Å; I610-V612 VanDerWaalsContact O-N 3.15Å
611V26Very low29.3Very low132 Ų132128 Ų12880%0.871%0.71SS**  trans-67.1104.8160.1173.40000106.6T613V611-T613 HydrophobicContact CG1-CG2 4.27Å
612V27.7Very low29.3Very low108 Ų108128.6 Ų128.666%0.65572%0.718SS**  trans-95.891.2169.4-173.90000108.5I610 T614I610-V612 HydrophobicContact CB-CG2 4.38Å; I610-V612 HydrophobicContact CG2-CG2 3.58Å; I610-V612 PolarHBondContact O-N 3.21Å; I610-V612 VanDerWaalsContact O-N 3.15Å; V612-T614 HydrophobicContact CG1-CG2 4.02Å; V612-T614 PolarHBondContact O-N 3.28Å
613T24.8Very low29Very low107 Ų107129 Ų12966%0.65672%0.721SS**  trans-67.1104.6155460000108.3V611 T615V611-T613 HydrophobicContact CG1-CG2 4.27Å; T613-T615 PolarHBondContact O-N 3.18Å
614T29.9Very low28.9Very low129 Ų129132.2 Ų132.279%0.79173%0.726SS**  trans-78.996.2160.448.70000108.1V612V612-T614 HydrophobicContact CG1-CG2 4.02Å; V612-T614 PolarHBondContact O-N 3.28Å
615T29.4Very low28.6Very low105 Ų105134 Ų13464%0.64473%0.731SS**  trans-71.4151.7165.847.30000110.3T613T613-T615 PolarHBondContact O-N 3.18Å
616D30Very low28.3Very low132 Ų132136.6 Ų136.671%0.70674%0.736SS**  trans54.794156.8-49.3-28.9000117.7
617D29.4Very low28.3Very low175 Ų175139 Ų13994%0.93674%0.744SS**  -130.6142111.8-111-36.4000108.5
618T31.4Very low28.2Very low102 Ų102141.7 Ų141.763%0.62676%0.755SS**  trans-121.6171.9-164.657.50000112.9
619I29.5Very low28.1Very low173 Ų173141.5 Ų141.589%0.88776%0.761SS**  trans83.5121.7171.8-51.4159.8000114.7
620G29.1Very low28.3Very low67 Ų67142 Ų14269%0.69176%0.758SS**  trans15550.5169.600000116.5V622G620-V622 PolarHBondContact O-N 3.01Å
621D27Very low28.3Very low162 Ų162147.8 Ų147.887%0.86677%0.772SS**  trans-59.2124.9176.6-79-63000112.9
622V29.3Very low28.4Very low111 Ų111148 Ų14867%0.67378%0.779SS**  trans-131.499.7160.9-178.40000108.4G620 Y624G620-V622 PolarHBondContact O-N 3.01Å; V622-Y624 HydrophobicContact CG1-CD2 4.44Å; V622-Y624 HydrophobicContact CG1-CE2 3.96Å; V622-Y624 PolarHBondContact O-N 3.35Å
623Q26.6Very low28.4Very low158 Ų158151.7 Ų151.774%0.73879%0.789SS**  trans-68.3123.5176.5-64.3-179.3-79.200111
624Y28.6Very low28.6Very low203 Ų203155.9 Ų155.980%0.79680%0.8SS**  trans-99.987155.6-80-76.5000109.6V622 F626V622-Y624 HydrophobicContact CG1-CD2 4.44Å; V622-Y624 HydrophobicContact CG1-CE2 3.96Å; V622-Y624 PolarHBondContact O-N 3.35Å; Y624-F626 PolarHBondContact O-N 3.27Å
625Q24.7Very low28.6Very low147 Ų147155.1 Ų155.169%0.68780%0.801SS**  trans-79.2100.3-179.2-177-178.510.700110.8
626F27.8Very low28.4Very low195 Ų195156.6 Ų156.686%0.85581%0.81SS**PPolyproline II helixtrans-94.7124.2161.4-89.2-84.7000110.1Y624Y624-F626 PolarHBondContact O-N 3.27Å
627Q26.4Very low28.4Very low168 Ų168158.3 Ų158.379%0.78582%0.817SS**PPolyproline II helixtrans-80.7130-171.8-65.5173.2-86.600112
628H27.2Very low28.2Very low174 Ų174161 Ų16181%0.80681%0.814SS**PPolyproline II helixtrans-65.4139.8157.3-76.6-84.3000110.3Q630H628-Q630 PolarHBondContact O-N 2.04Å; H628-Q630 VanDerWaalsContact O-N 3.1Å
629P30.4Very low28.1Very low133 Ų133164.3 Ų164.386%0.86483%0.827SS**  trans-69.1102.4163.5-1429.2000109.8
630Q30.5Very low28Very low181 Ų181161 Ų16185%0.84682%0.817SS**  trans-75.9123.4172-72.8-173.8-45.500111.1H628H628-Q630 PolarHBondContact O-N 2.04Å; H628-Q630 VanDerWaalsContact O-N 3.1Å
631R28.5Very low27.8Very low241 Ų241162.6 Ų162.691%0.90982%0.817SS**  trans-166.198.3146.7-115.2173.8-173.9-177.62.2113
632C28.3Very low27.7Very low138 Ų138161 Ų16193%0.93281%0.814SS**  trans-178.6109.4141.1-100.20000107.1
633Q27.8Very low27.7Very low185 Ų185162.2 Ų162.286%0.86482%0.822SS**  trans-126.7170.2177.2-116.1-175.1-27.200108.6
634E29.2Very low27.7Very low194 Ų194161 Ų16191%0.90783%0.825SS**  trans74.9137-179.1-53-178.3179.600114.5
635S29Very low27.7Very low114 Ų114161.9 Ų161.980%0.79783%0.829SS**  cis-141.4153.40.652.80000111.6
636T25.8Very low27.8Very low136 Ų136162.7 Ų162.783%0.83484%0.837SS**  trans-110.9139178.144.80000111.8
637I30.3Very low27.9Very low168 Ų168157.1 Ų157.186%0.86283%0.834SS**  trans-121136.9164.2-64.2-179.7000107.7
638R23.9Very low27.9Very low232 Ų232152.2 Ų152.288%0.87583%0.829SS**  trans-95.9147.9-172.4-52.6177.3-174.7179.30.6111.8
639L29.4Very low28Very low170 Ų170155.4 Ų155.489%0.8984%0.835SS**  trans-141.3151.1143.4-101.4114.3000110.4
640P27.9Very low27.8Very low103 Ų103157.6 Ų157.667%0.66983%0.834SS**  trans-123.3134.7-160.438.4-22.4000116.5
641S24.4Very low27.8Very low101 Ų101158.4 Ų158.471%0.70684%0.835SS**  trans55.3144.1134.370.70000123.9
642T26Very low27.9Very low129 Ų129154.1 Ų154.179%0.79183%0.829SS**  trans80.2123.6158.372.10000119.6
643T30Very low28.1Very low137 Ų137152.2 Ų152.284%0.8482%0.815SS**  -165.8149.1109.535.50000109.9
644T24.7Very low28.2Very low131 Ų131150 Ų15080%0.80481%0.81SS**  trans-139.5119.6176.738.90000111.7
645Y30.3Very low28.4Very low223 Ų223148.6 Ų148.688%0.87581%0.808SS**  trans-152.5135.6165.6-91.2-89.5000106.8
646L27.1Very low28.4Very low164 Ų164146.7 Ų146.786%0.85981%0.807SS**  cis110.6122.311.4-168.4142.7000113.3
647G28.6Very low28.7Very low77 Ų77148 Ų14879%0.79481%0.807SS**  trans102137.5-17900000113.5
648G26.4Very low28.6Very low66 Ų66145.5 Ų145.568%0.6880%0.8SS**  cis141.1105.3-10.500000113.7
649Y29.4Very low28.7Very low240 Ų240140.6 Ų140.694%0.94180%0.798SS**  trans-142.1138166.9-87.3-79.3000110.8
650Q25.8Very low28.7Very low179 Ų179140.8 Ų140.884%0.83680%0.797SS**  trans-133.7145.1176.9-66.9-179.8-56.100109.8
651F31.3Very low28.5Very low199 Ų199143.7 Ų143.787%0.87381%0.806SS**  trans-178.9144.5151.3-81.5-51.2000106.4
652L30.6Very low28.8Very low150 Ų150146 Ų14679%0.78581%0.809SS**  cis-152.1155.1-3.5-132.4138.2000107.5
653P33.4Very low28.7Very low98 Ų98146.4 Ų146.464%0.63681%0.806SS**  trans-124.1-177.2-160.442.2-29.1000117.6
654N28.3Very low28.7Very low140 Ų140146.2 Ų146.275%0.74980%0.8SS**  trans78115.8157.7-68.2-5.8000121.6
655N33.5Very low28.8Very low163 Ų163145.1 Ų145.187%0.87279%0.793SS**  -174.2125.1106.4-84.4-29.7000108.3
656G29.4Very low28.8Very low75 Ų75140 Ų14077%0.77379%0.785SS**  88.81339600000111.4
657I32Very low28.8Very low162 Ų162136.8 Ų136.883%0.83177%0.769SS**  cis-151.5146.225.4-83.7168.7000111.5
658T28.8Very low29Very low117 Ų117138.9 Ų138.972%0.71877%0.766SS**  trans9.4136.9166.8620000123.3
659P25.4Very low29.1Very low129 Ų129142.6 Ų142.684%0.83877%0.77SS**  trans-81.2159156.736.4-33.8000112
660M29.1Very low29.2Very low174 Ų174135.2 Ų135.286%0.85774%0.744SS**  trans-125.7131.9168.9-125.5-172.8-6200110.8
661N23.5Very low29.3Very low163 Ų163133.2 Ų133.287%0.87273%0.734SS**  trans-104.2117.9-177.5-159.211.7000108.4
662I32.4Very low29.1Very low150 Ų150128 Ų12877%0.76972%0.722SS**  trans-125.4131.8172.6-62.7-176.3000108.8
663N23.6Very low29Very low137 Ų137129.8 Ų129.873%0.73372%0.724SS**  trans-110.3-174.1-173.6-178.113.4000108.8
664L29Very low28.8Very low133 Ų133133.5 Ų133.570%0.69673%0.733SS**  trans92.1106.1168.1-70.396.2000119.9
665T27Very low28.6Very low109 Ų109132 Ų13267%0.66973%0.733SS**  76.9126.8120.3630000124.3
666T30Very low28.4Very low114 Ų114132.4 Ų132.470%0.69973%0.734SS**  trans73115.5132.754.30000122.8
667N28.3Very low28.2Very low98 Ų98132.1 Ų132.152%0.52473%0.73SS.*  25.1129.2123.2-50.7-4.7000119.3
668T31.1Very low28.2Very low120 Ų120132.3 Ų132.374%0.73673%0.733SS**  173.115698.935.40000113.3
669L29.6Very low28.1Very low145 Ų145133.1 Ų133.176%0.75973%0.733SS**  trans21.6151.3140.3-75.995.2000121.8
670H30.5Very low28.5Very low85 Ų85134.5 Ų134.539%0.39473%0.733SS.*  cis-171.5155.2-13.2-135.1-136.2000110.8N604N604-H670 PolarHBondContact ND2-NE2 2.97Å
671Q28.3Very low28.6Very low137 Ų137132 Ų13264%0.6472%0.723SS**  trans59.9177.5147.6-87171.6-34.600121.7
672S27.6Very low29.1Very low88 Ų88131.3 Ų131.362%0.61572%0.719SS**  trans-121159.2-160.355.60000113.2
673F28.8Very low29Very low188 Ų188130.1 Ų130.183%0.82571%0.714SS**  trans-167124.3133.4-85.5-63.6000106.8
674Q27.8Very low29.6Very low176 Ų176132.2 Ų132.282%0.82272%0.719SS**  71130.776.3-157.417317.200114
675S25.7Very low29.6Very low108 Ų108131.9 Ų131.976%0.75572%0.718SS**  trans-89.3139.9-167.955.10000114.6
676I27.8Very low30Very low173 Ų173134 Ų13489%0.88772%0.72SS**  trans-142136.6145.8-90.1143.1000105.8
677G26.2Very low30.1Very low68 Ų68135.2 Ų135.270%0.70172%0.722SS**  trans-102.9167.8172.700000111.4
678L31.1Very low30Very low167 Ų167141 Ų14187%0.87474%0.738SS**  trans-151.8146.1156.6-107.8167.1000107.9
679D27Very low30Very low134 Ų134141.1 Ų141.172%0.71774%0.742SS**  trans-70.6157.9-177.5-49.9-91.9000112
680D34.5Very low30Very low157 Ų157139.3 Ų139.384%0.8474%0.737SS**  -151152.4116.1-134.1-29.3000112.6
681N30.3Very low30Very low123 Ų123143.4 Ų143.466%0.65876%0.755SS**  trans-95.6148-179.9-70.8-95.1000110.2
682N35.2Very low30.2Very low147 Ų147145 Ų14579%0.78677%0.767SS**  179.5158.4107-98.3-66.8000114.9
683N30Very low30.2Very low125 Ų125147.8 Ų147.867%0.66878%0.775SS**  trans-63.6151.4176.3-52.6-79.8000112.7
684H36.1Very low30.5Very low182 Ų182143.9 Ų143.984%0.84377%0.771SS**  -168.2152.399.7-99.6-65.7000114.1
685N29.5Very low30.8Very low125 Ų125141.9 Ų141.967%0.66877%0.766SS**  trans-65.6149.8174.5-51.8-28000111.8
686H34.3Very low31.1Very low153 Ų153143.9 Ų143.971%0.70877%0.768SS**  170.9149.5101.2-100-73.2000115.5
687N32.6Very low31.3Very low140 Ų140142.5 Ų142.575%0.74976%0.762SS**  trans73.8121.4151.6-57.1-11.1000121.2
688Y25.7Very low31.6Very low219 Ų219147.4 Ų147.486%0.85976%0.764SS**  trans-70161.9153-76.8-94.5000111
689P32.5Very low31.5Very low124 Ų124144.1 Ų144.181%0.80576%0.755SS**  -136176.5108.637.9-27.8000114.4
690T27.7Very low31.6Very low107 Ų107142.7 Ų142.766%0.65676%0.755SS**  trans-105.4176.2-175.446.80000113.6
691H30.9Very low31.5Very low170 Ų170143 Ų14379%0.78776%0.756SS**  trans80.2121.9172-56.1-86.8000118.2
692I33.2Very low31.6Very low171 Ų171141.4 Ų141.488%0.87775%0.754SS**  -159.1158.995.6-91.4156.2000108.1
693N28Very low31.4Very low147 Ų147140.8 Ų140.879%0.78675%0.751SS**  trans-138.7151.8-171.8-174.916.9000111.2
694S34.1Very low31.4Very low106 Ų106141.4 Ų141.474%0.74175%0.75SS**  trans-151.983.4179.463.30000115.4
695N34.1Very low31.2Very low133 Ų133142.2 Ų142.271%0.71175%0.752SS**  trans54.3101135.3-57.1-12.8000122.4
696N32.7Very low31.3Very low150 Ų150139.3 Ų139.380%0.80275%0.751SS**  50.2131112.6-60.1-4.3000123.4
697L32.4Very low31Very low145 Ų145137.1 Ų137.176%0.75975%0.753SS**  170.2145126.1-89.2160.9000107.7
698F31.3Very low30.8Very low171 Ų171137.5 Ų137.575%0.7576%0.755SS**  cis-128.1137.5-3.8-80.1-89.5000107.3
699S29.9Very low31Very low97 Ų97134.3 Ų134.368%0.67875%0.752SS**  40.513790.975.80000117.5
700S29.8Very low30.7Very low104 Ų104134.9 Ų134.973%0.72775%0.747SS**  cis179.1145.5-8.746.50000111.3
701L31.2Very low30.6Very low164 Ų164135.5 Ų135.586%0.85975%0.751SS**  trans162.2109.1154.7-91.2155.3000106.7
702S32.7Very low30.6Very low89 Ų89134 Ų13462%0.62275%0.753SS**  cis66.8134.341.482.30000115.1
703N30.3Very low30.4Very low135 Ų135130.8 Ų130.872%0.72275%0.746SS**  cis-167173.6-3.9-106.718.8000106.7
704E30.1Very low30.6Very low137 Ų137131.8 Ų131.864%0.6475%0.75SS**  cis-164.6-168.72.1-127.9170.9119.800110.9
705F33.1Very low30.6Very low200 Ų200132.8 Ų132.888%0.87775%0.754SS**  trans75.5145.4164.8-58.5-76000120.1
706G30.3Very low30.3Very low63 Ų63129.9 Ų129.965%0.64976%0.756SS**  cis167.4102.4-9.700000117.2
707S29.3Very low30.4Very low107 Ų107130 Ų13075%0.74876%0.761SS**  trans51.5120.815061.90000124.4
708N27.2Very low30.2Very low148 Ų148132 Ų13279%0.79176%0.764SS**  48.6126.9126.2-50.8-15000123.6
709L29.8Very low29.9Very low153 Ų153128.7 Ų128.780%0.80176%0.762SS**  176.1122.7113.9-109.283.8000109
710I27Very low30Very low136 Ų136134.3 Ų134.370%0.69777%0.774SS**  81.4105.779.1-70.9-178.5000115.7
711T25.9Very low29.8Very low120 Ų120135.9 Ų135.974%0.73677%0.774SS**  trans46142.4150.265.50000120.8
712T31.3Very low29.9Very low138 Ų138135.9 Ų135.985%0.84777%0.774SS**  -156.8-178.254.942.50000114.1
713S28.6Very low29.6Very low103 Ų103139.4 Ų139.472%0.7278%0.779SS**  trans-99.4167.3-170.854.10000116
714I32.1Very low29.4Very low168 Ų168140.1 Ų140.186%0.86278%0.783SS**  trans-173.7134.1133.4-94.1149.8000110.5
715P32.7Very low29.4Very low127 Ų127139.4 Ų139.483%0.82579%0.792SS**  trans-122.9160.6176.740.7-30.5000116.1
716G29.5Very low29.2Very low73 Ų73137.5 Ų137.575%0.75379%0.791SS**  trans155.6154.4172.900000111
717V33.2Very low29.2Very low152 Ų152139.6 Ų139.692%0.92179%0.793SS**  cis-139.317510172.90000109.9
718K27.9Very low29.2Very low188 Ų188142 Ų14282%0.81780%0.795SS**  trans-90150.9-161.9-52.8174177.5177.60116.5
719S26Very low29.1Very low100 Ų100138 Ų13870%0.69978%0.777SS**  trans17.6135.3141.865.90000121.4
720F31.1Very low28.9Very low215 Ų215136.2 Ų136.294%0.94378%0.777SS**  trans-140.4145.8132.8-111.5-82.4000109.9
721D27.2Very low28.8Very low137 Ų137137.5 Ų137.573%0.73378%0.784SS**  trans-130.6140.3179.5178.924.1000107.9
722L31.9Very low28.9Very low164 Ų164140.2 Ų140.286%0.85979%0.791SS**  trans-154132.3178.7-152.877.5000111.3
723K26.3Very low28.8Very low163 Ų163140.6 Ų140.671%0.70979%0.793SS**  trans-89.5172.6-178.3-64.9-177.3173.5-178.60112.8
724D26.7Very low28.8Very low151 Ų151141 Ų14181%0.80779%0.793SS**  trans69.181154.8-51.7-35.6000116.9
725S31.3Very low28.5Very low121 Ų121140.4 Ų140.485%0.84679%0.792SS**  trans-158.6114.5147.33.20000113.3
726L27.1Very low28.3Very low161 Ų161144 Ų14484%0.84380%0.795SS**  trans-70.7163.6140.4-75.2163.2000107.7
727P31.2Very low28.2Very low107 Ų107147.4 Ų147.470%0.69579%0.794SS**  cis-145.9-156.72831-3.9000115.1
728I28.4Very low28.1Very low156 Ų156145.9 Ų145.980%0.879%0.788SS**  trans92.9121.2159.3-53.3178.4000116.8
729V25.5Very low28.2Very low65 Ų65142.9 Ų142.939%0.39479%0.787SS.*  trans-77.4147.3176.4174.20000111.3L731V729-L731 HydrophobicContact CG1-CD1 4.02Å
730S26.2Very low28.3Very low115 Ų115142 Ų14280%0.80479%0.793SS**  trans-143.4117.4155.2-78.90000110.9M732S730-M732 PolarHBondContact O-N 3.39Å
731L24.7Very low28.2Very low164 Ų164137.5 Ų137.586%0.85979%0.789SS**  trans-74.998.7173.2-11074.8000109.7V729V729-L731 HydrophobicContact CG1-CD1 4.02Å
732M27Very low28.1Very low176 Ų176139.7 Ų139.787%0.86780%0.797SS**  trans-146.9117.6156.8-73.7-160.417800110.9S730 P734S730-M732 PolarHBondContact O-N 3.39Å; M732-P734 WeakPolarHBondContact O-CD 3.41Å
733T29.3Very low28Very low147 Ų147138.5 Ų138.590%0.90280%0.797SS**  trans-79.5125.6162.448.50000109.8
734P28.7Very low28.1Very low111 Ų111135.6 Ų135.672%0.72180%0.795SS**  trans-136.8158.5133.637-26.2000113.2M732M732-P734 WeakPolarHBondContact O-CD 3.41Å
735N26.2Very low28Very low155 Ų155137.6 Ų137.683%0.82980%0.799SS**  trans-63.5135.9170.8-52.6-55.9000110.6
736F27.9Very low27.8Very low204 Ų204140.9 Ų140.990%0.89580%0.798SS**  trans-148.7146.1152.4-118.5-78.9000112.5
737I28.2Very low27.7Very low143 Ų143141.6 Ų141.673%0.73380%0.797SS**  trans-105.9128.3-170-63.9160.4000109.9
738P31.6Very low27.5Very low121 Ų121139.7 Ų139.779%0.78680%0.797SS**  trans-78.8123.6160.7-5.323.2000109.6
739P29.7Very low27.4Very low125 Ų125138.2 Ų138.281%0.81280%0.795SS**  trans-86.2151.8-176.633.5-35000113.3
740G27.8Very low27.3Very low80 Ų80142.9 Ų142.983%0.82581%0.807SS**  trans107.862.6142.600000120
741S29.1Very low27.3Very low122 Ų122145.9 Ų145.985%0.85381%0.813SS**  -152.4142.9127.264.70000109.7
742M26.2Very low27.3Very low182 Ų182147.7 Ų147.790%0.89781%0.808SS**  trans-108.5129.7-166.1-61.7179.274.300112.9
743T28.2Very low27.5Very low140 Ų140144.7 Ų144.786%0.85980%0.804SS**  trans-168.9153.4136.412.90000108.8
744P28.8Very low27.3Very low102 Ų102143.5 Ų143.566%0.66279%0.792SS**  trans-93.7121.8-145.832.8-35.5000116.3F746P744-F746 HydrophobicContact CB-CD2 4.18Å; P744-F746 HydrophobicContact CB-CE2 4.4Å; P744-F746 PolarHBondContact O-N 3.14Å
745H25.5Very low27.5Very low192 Ų192147.5 Ų147.589%0.88980%0.801SS**  trans-75.2111.6149.5-87.9-68.3000109.5H747H745-H747 PolarHBondContact O-N 3.27Å; H745-H747 VanDerWaalsContact O-N 3.07Å
746F26.8Very low27.5Very low190 Ų190146.7 Ų146.783%0.83380%0.797SS**  trans-81.978.8173.5-108.2-81.9000111.5P744 G748P744-F746 HydrophobicContact CB-CD2 4.18Å; P744-F746 HydrophobicContact CB-CE2 4.4Å; P744-F746 PolarHBondContact O-N 3.14Å; F746-G748 PolarHBondContact O-N 2.94Å
747H25Very low27.5Very low177 Ų177144.7 Ų144.782%0.81979%0.794SS**  trans-82.371.8169.1-143.8-61.1000109.9H745 T749H745-H747 PolarHBondContact O-N 3.27Å; H745-H747 VanDerWaalsContact O-N 3.07Å; H747-T749 PolarHBondContact O-N 3.16Å
748G26.8Very low27.6Very low67 Ų67145.6 Ų145.669%0.69180%0.799SS**  trans-76.1102.1-174.200000113.2F746F746-G748 PolarHBondContact O-N 2.94Å
749T25.3Very low27.4Very low125 Ų125146.9 Ų146.977%0.76780%0.799SS**  trans-73.5155167.242.10000111.8H747 L751H747-T749 PolarHBondContact O-N 3.16Å; T749-L751 PolarHBondContact O-N 3.44Å; T749-L751 VanDerWaalsContact O-N 3.16Å
750Y24.1Very low27.2Very low162 Ų162147.3 Ų147.364%0.63579%0.794SS**  trans-51.3114.1-179.6-72.6-100.8000113.6
751L26.2Very low27.4Very low178 Ų178151.1 Ų151.193%0.93279%0.794SS**  trans-136.7135.6143.8-81.8-177.7000109.4T749T749-L751 PolarHBondContact O-N 3.44Å; T749-L751 VanDerWaalsContact O-N 3.16Å
752R23.9Very low27.4Very low203 Ų203151.4 Ų151.477%0.76679%0.786SS**  trans-110.7116.6-176.4175.3-178.3178.5161.11.4108.9
753S31.2Very low27.5Very low112 Ų112152.1 Ų152.178%0.78378%0.781SS**  trans-137.3118.6167.354.80000108.2
754D26.3Very low27.4Very low122 Ų122156.6 Ų156.665%0.65278%0.781SS**  trans-69.7147.8174.5-45.3-88.4000110.1
755E31.9Very low27.3Very low195 Ų195160.7 Ų160.791%0.91179%0.789SS**  trans-153.1144.3135-123.6168.7-149.900111.3
756N26.3Very low27.2Very low139 Ų139156 Ų15674%0.74378%0.783SS**  trans-94.1-176.8175.4-75.9-84.5000109.6
757I27.7Very low27.1Very low162 Ų162155.2 Ų155.283%0.83178%0.78SS**  trans83.189.6165.5-46.3157.5000114.5
758I31.2Very low27.1Very low162 Ų162155.7 Ų155.783%0.83178%0.782SS**  -164.8137110.3-93.2155.7000107.8
759N26.9Very low27Very low147 Ų147159 Ų15979%0.78678%0.784SS**  trans-120.4162.4179.6-111.2-20.2000110.4
760N26.5Very low27Very low134 Ų134160 Ų16072%0.71779%0.785SS**  trans73.7109.9175.7-55.3-38.7000117.2
761I32.5Very low27.1Very low160 Ų160156.8 Ų156.882%0.82179%0.786SS**  -150.2146.4105.1-95.6150.4000107.7
762N29.2Very low26.9Very low129 Ų129155.9 Ų155.969%0.6978%0.78SS**  trans-98.6139.2-171-77-89.1000112.5
763Y27.5Very low27.1Very low197 Ų197155.2 Ų155.277%0.77378%0.779SS**  trans-134.7131.1147.8-99.9-83.3000110.5Q243Q243-Y763 VanDerWaalsContact NE2-CD2 3.3Å; Q243-Y763 VanDerWaalsContact NE2-CE2 3.27Å
764R25Very low26.7Very low233 Ų233156.9 Ų156.988%0.87979%0.785SS**  trans-95.9134.8-176.1-69.2-177.9176.4-174.7-1.2111.9
765K26.7Very low26.8Very low189 Ų189155.5 Ų155.582%0.82279%0.785SS**  trans-14873.2143.6-146.7170.3-173.7178.60113.4
766A23.8Very low26.6Very low93 Ų93154 Ų15477%0.76978%0.782SS**  trans52.564.3156.900000118.2
767F25.9Very low26.6Very low174 Ų174152.5 Ų152.576%0.76378%0.78SS**  trans-96.9147.2141.8-93.6-98.3000109.3D769F767-D769 PolarHBondContact O-N 2.94Å
768H24.8Very low26.6Very low186 Ų186148 Ų14886%0.86177%0.773SS**  trans-100.256.8-171.1-122.7-73.7000111.9N770H768-N770 PolarHBondContact O-N 2.73Å
769D24.4Very low26.5Very low138 Ų138145.4 Ų145.474%0.73877%0.769SS**  trans-69.498177.1-73-39.1000111.3F767F767-D769 PolarHBondContact O-N 2.94Å
770N24.9Very low26.6Very low146 Ų146143.9 Ų143.978%0.78176%0.761SS**  trans-160.758.6167-111-26.2000111.2H768H768-N770 PolarHBondContact O-N 2.73Å
771S25.6Very low26.7Very low93 Ų93143.4 Ų143.465%0.6577%0.767SS**  trans-125.159.1179.449.70000112.5Y773S771-Y773 PolarHBondContact O-N 3.37Å
772I23.4Very low26.6Very low160 Ų160143.5 Ų143.582%0.82177%0.769SS**  trans-68.586.2160-56.4177000107.6
773Y27Very low26.6Very low188 Ų188141.4 Ų141.474%0.73777%0.765SS**  trans-126.4100.4176.7-81.8-73.6000112.1S771 S775S771-Y773 PolarHBondContact O-N 3.37Å; Y773-S775 PolarHBondContact O-N 2.82Å
774T23.2Very low26.8Very low147 Ų147138.4 Ų138.490%0.90276%0.758SS**  trans-7394.2159.250.50000108.9
775S27.6Very low27.2Very low94 Ų94132 Ų13266%0.65775%0.746SS**  trans-140149.6178.650.60000113.9Y773Y773-S775 PolarHBondContact O-N 2.82Å
776L27.7Very low27.3Very low163 Ų163133.3 Ų133.385%0.85375%0.747SS**  trans-62.6162.4-164.5-76.769.7000114.9
777P27.3Very low27.5Very low108 Ų108133.3 Ų133.370%0.70175%0.748SS**SBendtrans-71.8134174.830-35.3000112.8
778G27.9Very low27.4Very low66 Ų66133.6 Ų133.668%0.6875%0.749SS**  trans115.465.9151.600000118.4
779S28.1Very low27.6Very low108 Ų108130.5 Ų130.576%0.75574%0.742SS**  trans-163.375.2156.262.10000113.4
780D30.7Very low27.7Very low116 Ų116128 Ų12862%0.6273%0.729SS**  trans-110.686.7165.4-70-38.3000108.7R141R141-D780 IonicContact CZ-OD2 2.94Å; R141-D780 IonicContact NH1-OD2 3.75Å; R141-D780 IonicContact NH2-OD2 3.84Å; R141-D780 PolarHBondContact NH2-OD2 2.92Å
781C28.2Very low27.8Very low123 Ų123126.6 Ų126.683%0.83173%0.726SS**  trans-109.357.4-175.5-68.90000113
782D29Very low28.1Very low163 Ų163128 Ų12887%0.87273%0.731SS**  trans-136.389.9170.7-97.4-46.8000110.3
783S30.9Very low28.3Very low85 Ų85127.2 Ų127.259%0.59473%0.728SS**  trans-153.747.6-175.1740000116.4
784Q31.8Very low28.4Very low133 Ų133125.3 Ų125.362%0.62173%0.73SS**  trans-154.5123.5148.6-79.2-152.7-15.500111.5F153F153-Q784 PolarHBondContact O-NE2 3Å
785P32.6Very low28.8Very low98 Ų98124.3 Ų124.364%0.63672%0.724SS**PPolyproline II helixtrans-76.2130.5156.231.6-30.1000109.1
786Y27.8Very low28.6Very low217 Ų217127.4 Ų127.485%0.85173%0.733SS**PPolyproline II helixtrans-64.8139.1177.9-79.9-93.7000111.6K788Y786-K788 PolarHBondContact O-N 2.6Å; Y786-K788 VanDerWaalsContact O-N 3.13Å
787A27.9Very low28.5Very low94 Ų94128 Ų12878%0.77773%0.733SS**PPolyproline II helixtrans-58.7116.4174.900000110.7V789A787-V789 PolarHBondContact O-N 2.56Å
788K25.8Very low28.5Very low179 Ų179129.7 Ų129.778%0.77873%0.732SS**  trans-79.487.9-173-161.9177.5-171.8179.50110.3Y786 D790Y786-K788 PolarHBondContact O-N 2.6Å; Y786-K788 VanDerWaalsContact O-N 3.13Å; K788-D790 PolarHBondContact O-N 2.59Å
789V27.2Very low28.4Very low121 Ų121136 Ų13673%0.73374%0.744SS**  trans-64.5120.5173.1178.60000109A787 T791A787-V789 PolarHBondContact O-N 2.56Å; V789-T791 PolarHBondContact O-N 3.32Å
790D26.8Very low28.3Very low85 Ų85138.5 Ų138.546%0.45574%0.741SS.*  trans-8281.4-172.5-121.626.6000111.8K271 K788 V792K271-D790 WeakPolarHBondContact CE-OD2 3.37Å; K271-D790 IonicContact NZ-OD1 3.87Å; K271-D790 PolarHBondContact NZ-OD1 3.15Å; K271-D790 IonicContact NZ-OD2 2.9Å; K271-D790 PolarHBondContact NZ-OD2 2.91Å; K788-D790 PolarHBondContact O-N 2.59Å; D790-V792 PolarHBondContact O-N 2.86Å
791T27.2Very low28.2Very low118 Ų118141.9 Ų141.972%0.72475%0.753SS**  trans-75101.9169.942.40000110.6V789V789-T791 PolarHBondContact O-N 3.32Å
792V31.2Very low28.1Very low123 Ų123140.2 Ų140.275%0.74574%0.743SS**  trans-72.2139.1163.7-179.20000108.8D790 N794D790-V792 PolarHBondContact O-N 2.86Å; V792-N794 PolarHBondContact O-N 3.41Å
793N27.6Very low28.1Very low142 Ų142139.1 Ų139.176%0.75974%0.737SS**  trans-50.8133.3-174-70.8-32.3000113.9
794N30.1Very low28.1Very low148 Ų148142.1 Ų142.179%0.79175%0.746SS**  -162.7128.5120.5-97.3-34.3000113.6V792V792-N794 PolarHBondContact O-N 3.41Å
795T30.7Very low28.1Very low126 Ų126141.1 Ų141.177%0.77375%0.754SS**  trans36.191.8149.557.20000119.3
796L24.4Very low27.8Very low159 Ų159141.5 Ų141.583%0.83276%0.759SS**  trans5.4120.2131.4-173.2146.4000117.3
797M26Very low28Very low175 Ų175139 Ų13986%0.86276%0.759SS**  trans-156.1132.1139.3-115.7-58-155.200110.4
798Q25.9Very low28.1Very low144 Ų144140.4 Ų140.467%0.67375%0.753SS**  trans-85.5151.4171.2-66.3171.4-30.300109.8
799Q27.7Very low28.2Very low200 Ų200140.1 Ų140.194%0.93576%0.759SS**  trans-144.8119.8143.3-128.9172.37.900111.8
800F24.8Very low28.3Very low160 Ų160137.9 Ų137.970%0.70275%0.749SS**  trans-80.2136.8176.4-73.7-104.9000110.8
801Q28.5Very low28.5Very low187 Ų187143.3 Ų143.387%0.87477%0.769SS**  trans-139.891144.3-67.8-169.5-13.800107.1
802S26.6Very low28.7Very low88 Ų88146.4 Ų146.462%0.61578%0.78SS**  62.8108.372.180.80000113.9
803N29.3Very low28.5Very low140 Ų140147.3 Ų147.375%0.74978%0.78SS**  trans-172.4125.4130.9-95.7-28.9000111.8
804N30.2Very low28.8Very low147 Ų147148.1 Ų148.179%0.78678%0.783SS**  trans51.5125.7148.3-48-29.8000118.7
805S31.1Very low28.8Very low113 Ų113145.7 Ų145.779%0.7978%0.778SS**  cis-150.4152.738.4460000115.7
806S28.2Very low28.6Very low106 Ų106149 Ų14974%0.74178%0.778SS**  trans-17.3137.7166.155.60000120.7
807I30.6Very low28.9Very low164 Ų164148.5 Ų148.584%0.84178%0.776SS**  -148.5154.6117.3-102.5155.2000109
808D30.2Very low29.3Very low124 Ų124147.1 Ų147.166%0.66377%0.767SS**  trans-97.9129.1-161.5-178.75.6000113.4S810D808-S810 WeakPolarHBondContact OD1-CB 3.44Å; D808-S810 PolarHBondContact OD1-N 3.41Å; D808-S810 PolarHBondContact OD1-OG 2.83Å; D808-S810 PolarHBondContact OD2-OG 3.11Å
809L28.2Very low29.5Very low172 Ų172145.2 Ų145.290%0.90177%0.768SS**  trans-109.962.9170.1-87.693.1000111.9
810S28.6Very low29.8Very low75 Ų75142.1 Ų142.152%0.52476%0.758SS.*  trans-100.752177.758.60000114.3D808D808-S810 WeakPolarHBondContact OD1-CB 3.44Å; D808-S810 PolarHBondContact OD1-N 3.41Å; D808-S810 PolarHBondContact OD1-OG 2.83Å; D808-S810 PolarHBondContact OD2-OG 3.11Å
811K32.1Very low30.2Very low198 Ų198138 Ų13886%0.86176%0.761SS**  trans-171.395.3160.4-94.8133.2-169.7169.80113.1
812L31Very low30.4Very low183 Ų183136.1 Ų136.196%0.95876%0.757SS**  -176.1151.2119-97.8158000109
813N27Very low30.5Very low142 Ų142137.6 Ų137.676%0.75976%0.758SS**  trans-142.8139.6-161.8175.923.7000109.3
814I33.1Very low30.5Very low159 Ų159143 Ų14382%0.81577%0.768SS**  trans-168.8152.3150.5-100.1147.5000110
815S29.8Very low30.3Very low98 Ų98143.2 Ų143.269%0.68577%0.768SS**  trans-56.6146.7-168.7490000116.4
816Y27Very low30.3Very low196 Ų196148.3 Ų148.377%0.76978%0.776SS**  cis70.5109.549-93.7-87.5000116.8
817N32.1Very low30.5Very low148 Ų148150.7 Ų150.779%0.79178%0.781SS**  -179.7124.2119.8-84.5-29.6000109
818H32.7Very low30.6Very low145 Ų145148.1 Ų148.167%0.67178%0.775SS**  68.9133.276.4-102.840000113.9
819C30.2Very low30.8Very low104 Ų104150.2 Ų150.270%0.70378%0.783SS**  cis-141.7155.829.1-64.70000115.9
820N34.1Very low31.1Very low136 Ų136148.6 Ų148.673%0.72778%0.775SS**  trans22.9142.2138.2-45.9-11.8000120.4
821G33.2Very low31.3Very low73 Ų73153.2 Ų153.275%0.75379%0.793SS**  cis175.4-168.47.400000109.3
822D33.5Very low31.9Very low147 Ų147149.2 Ų149.279%0.78679%0.787SS**  cis-154.7-152.80.2-159.4-96.8000110.5
823N27.6Very low32.4Very low120 Ų120146.1 Ų146.164%0.64278%0.778SS**  trans-107150.3-156.3-62.6-86.7000116.7
824R29.9Very low32.9Very low253 Ų253145.1 Ų145.196%0.95578%0.779SS**  trans-146.5140.6140.6-73.6-158.4173.5-178-1.4111.9
825L26Very low33.5Very low151 Ų151143.9 Ų143.979%0.79178%0.781SS**  trans-93.4157.1-174.7-71.774000113.3
826F31.6Very low33.8Very low220 Ų220144.9 Ų144.997%0.96579%0.788SS**  trans-138.7160.8148.8-97.1-81.5000110.6
827N32.8Very low34.3Very low157 Ų157143.7 Ų143.784%0.8479%0.794SS**  trans-130.1135.8-159.6-160.830.9000111.8
828P32.8Very low34.8Very low110 Ų110142.2 Ų142.271%0.71479%0.793SS**  trans-100.2158.1-171.637.7-35000115.1
829M33.7Very low35.1Very low167 Ų167143.1 Ų143.182%0.82380%0.802SS**  trans-158.6124.2160-98.9-121.3-78.400114.5
830N33.5Very low36.1Very low139 Ų139143.6 Ų143.674%0.74380%0.804SS**  trans52115.9145.2-58.3-4.7000122.5
831L34.5Very low36.7Very low172 Ų172143.1 Ų143.190%0.90181%0.808SS**  trans-125.9156.3140.8-92.5100.3000110.1
832P42.9Very low37Very low113 Ų113145.8 Ų145.873%0.73481%0.81SS**PPolyproline II helixtrans-84.7160.9-17634.6-36.3000114.1
833P42.1Very low37.6Very low119 Ų119144.8 Ų144.877%0.77381%0.811SS**PPolyproline II helixtrans-79.9155.1-179.133.1-36.5000113.9
834P37.5Very low38Very low120 Ų120146.9 Ų146.978%0.77982%0.817SS**PPolyproline II helixtrans-75.5154.117232.5-35.2000112.5
835P45.6Very low38.1Very low133 Ų133143.8 Ų143.886%0.86481%0.813SS**PPolyproline II helixtrans-79.9138.6-178.532.1-34.9000113.1
836S36.3Very low38.4Very low119 Ų119144.6 Ų144.683%0.83282%0.818SS**PPolyproline II helixtrans-94.4131174.551.20000112.3
837L37Very low38.3Very low171 Ų171139.9 Ų139.990%0.89581%0.807SS**PPolyproline II helixtrans-89.6144.9169.5-82.9163.4000111.2
838P43.5Very low38.2Very low117 Ų117139.4 Ų139.476%0.7681%0.81SS**PPolyproline II helixtrans-84.3149.4-173.533.6-35.4000113.7
839L38.9Very low38Very low165 Ų165140.5 Ų140.586%0.86481%0.814SS**PPolyproline II helixtrans-76.9143.3169.7-73.6158.9000111.3
840P50.8Low37.9Very low114 Ų114139.7 Ų139.774%0.7482%0.819SS**PPolyproline II helixtrans-75.2147172.131.7-34.4000111.8
841P47.9Very low37.7Very low125 Ų125139.2 Ų139.281%0.81282%0.821SS**PPolyproline II helixtrans-80.7146.4-17832.2-35.4000113.5
842T38.7Very low37.6Very low129 Ų129139 Ų13979%0.79182%0.82SS**PPolyproline II helixtrans-81133.4173.648.20000112.3
843P45.1Very low37.1Very low126 Ų126139.4 Ų139.482%0.81882%0.82SS**PPolyproline II helixtrans-78.8134.5171.7-7.324.5000111.9
844E37.2Very low36.6Very low165 Ų165138.5 Ų138.577%0.77182%0.816SS**PPolyproline II helixtrans-84.9146.1173.3-62.9177.9110.500111K988E844-K988 IonicContact OE2-NZ 2.64Å
845H32.1Very low36.3Very low187 Ų187138.6 Ų138.687%0.86682%0.815SS**PPolyproline II helixtrans-70.2129.1174.4-89.1-104.8000111.7
846L32.7Very low35.5Very low169 Ų169139.5 Ų139.589%0.88581%0.811SS**  trans-154138.1151.1-118.8146.6000112
847T28.5Very low35.1Very low120 Ų120139 Ų13974%0.73680%0.803SS**  trans-98.8126.2-170.849.90000112.5
848T31.8Very low34.7Very low148 Ų148136.9 Ų136.991%0.90880%0.798SS**  trans-158.2148.9145.812.80000111.3
849T28.3Very low34Very low132 Ų132137.8 Ų137.881%0.8180%0.8SS**  trans-93.1130.6-177.647.80000113.1
850T31.9Very low33.3Very low151 Ų151134.9 Ų134.993%0.92679%0.794SS**  trans-163.1147.5138.915.20000111.5
851T28.3Very low32.4Very low128 Ų128134.9 Ų134.979%0.78580%0.797SS**  trans-96146.6172.233.10000111.2
852I33.4Very low31.7Very low169 Ų169135.4 Ų135.487%0.86779%0.791SS**  trans-178.1161.3134.7-95.4157.1000110
853T31.1Very low31.4Very low121 Ų121134.5 Ų134.574%0.74279%0.786SS**  trans-91.6136.4-158.142.60000117
854S31.7Very low30.9Very low99 Ų99132.1 Ų132.169%0.69277%0.769SS**  trans51.5127.2138.766.70000121.6
855T30.7Very low30.5Very low122 Ų122128.5 Ų128.575%0.74876%0.761SS**  -176.5142.2104.921.50000112.4
856I30Very low30.6Very low152 Ų152124.5 Ų124.578%0.77975%0.754SS**  trans66.5130.8146.6-66.3165.8000116
857T28.4Very low30.4Very low110 Ų110124 Ų12468%0.67575%0.747SS**  cis-157.9167.221.1-140000111.9
858T27.9Very low30.5Very low126 Ų126125.4 Ų125.477%0.77376%0.755SS**  trans60.7147.7154.657.90000119.9
859V28Very low30.3Very low135 Ų135126.5 Ų126.582%0.81875%0.752SS**  cis-151.6141-16128.10000106.9
860S25.6Very low30.3Very low104 Ų104127.9 Ų127.973%0.72776%0.755SS**  trans-158.8151.3173.657.70000112.6
861S31.7Very low30.3Very low114 Ų114128.6 Ų128.680%0.79775%0.752SS**  trans-146.8121.1171.253.30000109.8
862I31.6Very low30.3Very low137 Ų137127.9 Ų127.970%0.70375%0.753SS**  cis84129.339.3-63.5173.2000111.7
863T32.4Very low30.2Very low109 Ų109127.7 Ų127.767%0.66975%0.753SS**  cis-148.8-146.9-17.731.70000106.6
864T34.7Very low30.1Very low76 Ų76132.4 Ų132.447%0.46676%0.757SS.*  cis-167.3159.97.9-130000106.9
865C30.4Very low30.2Very low89 Ų89135.2 Ų135.260%0.60177%0.765SS**  cis-145-161.65.1-142.70000106.9
866S33.8Very low30Very low103 Ų103137.1 Ų137.172%0.7277%0.765SS**  cis-153.4117.7-1.228.60000107.8
867Q28.7Very low30.1Very low160 Ų160138.6 Ų138.675%0.74877%0.766SS**  71.7105.694.6-71.6-1686.100116.6
868T29.7Very low30Very low148 Ų148139.1 Ų139.191%0.90877%0.765SS**  trans-127.6147.7134.942.60000108.3
869M27.6Very low30.1Very low171 Ų171140.3 Ų140.384%0.84276%0.761SS**  trans-88.1147.4-175.6-60.5178.2-172.900111.4
870N29.1Very low30.2Very low162 Ų162139.8 Ų139.887%0.86675%0.754SS**  trans-147.3126.5154.2-151.5-8.2000110.2
871L31.2Very low30.1Very low165 Ų165139.8 Ų139.886%0.86475%0.754SS**  trans-95.3110.3-179.8-98.2132.1000109.1
872S29.4Very low30Very low114 Ų114142.5 Ų142.580%0.79776%0.756SS**  trans-88.8140.6166.757.90000110.2
873N31.2Very low29.6Very low164 Ų164140.5 Ų140.588%0.87775%0.754SS**  trans-137.4135.7157.2-145-1.6000108.2
874R27.7Very low29.4Very low221 Ų221142.3 Ų142.383%0.83476%0.758SS**  trans-81.3156.1-177.5-71.5176.7169.2168.6-5.6110.4
875N34.4Very low29.2Very low158 Ų158145.2 Ų145.285%0.84577%0.771SS**  -162.8161.5109.7-91.5-14.6000111.3
876E27.3Very low29Very low161 Ų161150.6 Ų150.675%0.75278%0.784SS**  trans-82157.4-177-61147.4141.900110.9
877F31.4Very low28.9Very low183 Ų183150.5 Ų150.580%0.80379%0.79SS**  179.1112.5110.7-110.9-97.6000112.3
878N27Very low28.8Very low122 Ų122148.9 Ų148.965%0.65279%0.79SS**  trans30145.8137.7-72.63.2000125.3
879H29.1Very low28.8Very low151 Ų151149.5 Ų149.570%0.69979%0.788SS**  trans91.2122.4140-79.3-58.1000122.4
880D29.7Very low28.7Very low123 Ų123148.8 Ų148.866%0.65879%0.788SS**  trans75.790.3131.4-57.7-6.8000123
881S24.8Very low28.7Very low105 Ų105147.2 Ų147.273%0.73478%0.784SS**  63.7161.6111.783.70000122.2
882M28.2Very low28.3Very low171 Ų171147 Ų14784%0.84278%0.783SS**  trans62.5108.8-177.7-64.2-172.8162.200114.9
883S24.6Very low28.2Very low94 Ų94151 Ų15166%0.65779%0.786SS**  64.9115.655.586.20000114.8
884I27.9Very low27.9Very low147 Ų147148 Ų14875%0.75478%0.784SS**  171.5138.2126.3-90.3158.7000112.6
885N29.2Very low27.8Very low137 Ų137148.3 Ų148.373%0.73379%0.787SS**  trans50111.2160.2-67.2-16.1000123.5
886K26.6Very low27.3Very low202 Ų202147.2 Ų147.288%0.87878%0.782SS**  25.3120.1116.4-70.8179.4172.2178.80118.9
887A31.2Very low27.6Very low102 Ų102144.4 Ų144.484%0.84378%0.779SS**  -140.2149.9127.900000109.1
888V28.1Very low27.3Very low125 Ų125141.9 Ų141.976%0.75877%0.774SS**  trans-98.9137.2178.5172.40000109.3
889N29.7Very low27.3Very low161 Ų161142.9 Ų142.986%0.86179%0.785SS**  trans-162141.5143.4-100-27.4000111.1
890N25.4Very low27.1Very low156 Ų156142.9 Ų142.983%0.83479%0.79SS**  trans-89.3122.3177.8-70.6-18.4000110.6
891T28.5Very low27Very low129 Ų129146.7 Ų146.779%0.79180%0.801SS**  trans-143.9133.5153.2360000109.9
892L23Very low27Very low162 Ų162148 Ų14885%0.84881%0.808SS**  trans-69.3127.6163.7-83.968.1000108.2
893F26.5Very low26.9Very low196 Ų196147.2 Ų147.286%0.8681%0.806SS**  trans-149.5116.6144.2-91.5-67.8000109.4
894A25.6Very low27.1Very low101 Ų101148 Ų14884%0.83581%0.811SS**  trans-78.7126.1174.600000109.7
895Y26Very low27Very low228 Ų228147.6 Ų147.689%0.89481%0.811SS**  trans-78.4125.6167.5-109.5-97.8000109.5
896N23.8Very low27Very low136 Ų136147.2 Ų147.273%0.72781%0.809SS**  trans-118128.7164.8-172.812.9000108.6
897S32.5Very low27Very low101 Ų101142.9 Ų142.971%0.70680%0.795SS**  trans-144.4100.1177.159.60000109.3
898N25.1Very low26.9Very low130 Ų130144.8 Ų144.870%0.69579%0.79SS**  trans-58.3143.1-172.8-54.9-37.6000113.4
899V28.8Very low26.8Very low143 Ų143145.1 Ų145.187%0.86779%0.792SS**  trans-133.6129.2148.4-178.20000108.1
900N23.7Very low26.8Very low151 Ų151142.6 Ų142.681%0.80778%0.783SS**  trans-65.1140.6-170.6-57.9-27.4000112.9
901K28.1Very low26.9Very low204 Ų204146.6 Ų146.689%0.88779%0.786SS**  trans-140.5131.9157.4-103.9-175.6175.3-177.70110
902C24.7Very low27Very low133 Ų133146 Ų14690%0.89978%0.778SS**PPolyproline II helixtrans-72.8142.6-179.4-550000111.1
903I26.5Very low27.7Very low153 Ų153140.4 Ų140.479%0.78575%0.749SS**PPolyproline II helixtrans-96.9131.7172.8-62.5171.2000108
904S28.6Very low28Very low111 Ų111136.9 Ų136.978%0.77675%0.748SS**PPolyproline II helixtrans-89.7117.7164.453.80000109N906S904-N906 PolarHBondContact O-N 3.22Å
905N25.2Very low28.5Very low139 Ų139137.7 Ų137.774%0.74374%0.739SS**PPolyproline II helixtrans-60.8132.4178.2-65.9-13.7000111.4
906N29.2Very low28.9Very low128 Ų128129.6 Ų129.668%0.68472%0.724SS**  -173.3149127.7-87.3-24000110.6S904S904-N906 PolarHBondContact O-N 3.22Å
907D27.5Very low29.3Very low111 Ų111129.5 Ų129.559%0.59472%0.719SS**SBendtrans5552.1158.1-52.4-18.3000118.9N483N483-D907 PolarHBondContact ND2-OD2 3.29Å
908I28.4Very low29.3Very low143 Ų143133.8 Ų133.873%0.73373%0.726SS**  trans-133.3116.3152.8-45.1179.4000110.8T910I908-T910 HydrophobicContact CG2-CG2 3.86Å; I908-T910 PolarHBondContact O-N 2.94Å
909T26.4Very low29.4Very low132 Ų132132.9 Ų132.981%0.8172%0.72SS**  trans-88.280.7171.953.70000111.3
910T29.2Very low29.2Very low108 Ų108131.6 Ų131.666%0.66372%0.717SS**PPolyproline II helixtrans-89.6121.3167.8500000110.8I908I908-T910 HydrophobicContact CG2-CG2 3.86Å; I908-T910 PolarHBondContact O-N 2.94Å
911W28.2Very low29.3Very low240 Ų240129.8 Ų129.891%0.90971%0.711SS**PPolyproline II helixtrans-81.4134.9171.1-65.680.6000110.3
912L30.1Very low29.1Very low117 Ų117125.3 Ų125.361%0.61371%0.706SS**PPolyproline II helixtrans-97.9151.8168.2-77.7162.2000109.6
913D37.9Very low29.2Very low44 Ų44124 Ų12424%0.23569%0.69CS.*PPolyproline II helixtrans-84.5170172.293.1-34.2000111.8N915 G916 Q917 I919D913-N915 PolarHBondContact O-N 3.43Å; D913-N915 WeakPolarHBondContact OD1-CA 3.2Å; D913-N915 PolarHBondContact OD1-N 3.29Å; D913-N915 WeakPolarHBondContact OD2-CB 3.43Å; D913-N915 PolarHBondContact OD2-ND2 2.82Å; D913-G916 PolarHBondContact O-N 2.94Å; D913-G916 PolarHBondContact OD1-N 3.3Å; D913-Q917 PolarHBondContact OD1-N 2.81Å; D913-I919 HydrophobicContact CB-CD1 3.63Å; D913-I919 HydrophobicContact CB-CG1 4.18Å
914S32.9Very low29.1Very low122 Ų122122.4 Ų122.485%0.85369%0.69SS**THydrogen-bonded Turntrans-67.7-1.1179.359.20000114.5
915N36.3Very low29.1Very low118 Ų118124.2 Ų124.263%0.63169%0.69SS**THydrogen-bonded Turntrans-110.40.5179-51.7-64.4000112.3D913 Q917D913-N915 PolarHBondContact O-N 3.43Å; D913-N915 WeakPolarHBondContact OD1-CA 3.2Å; D913-N915 PolarHBondContact OD1-N 3.29Å; D913-N915 WeakPolarHBondContact OD2-CB 3.43Å; D913-N915 PolarHBondContact OD2-ND2 2.82Å; N915-Q917 VanDerWaalsContact C-N 3.28Å; N915-Q917 HydrophobicContact CB-CG 4.43Å; N915-Q917 PolarHBondContact O-N 3.41Å
916G34.3Very low29.2Very low57 Ų57126.2 Ų126.259%0.58869%0.692SS**  trans68.921.7-178.300000114.1D913D913-G916 PolarHBondContact O-N 2.94Å; D913-G916 PolarHBondContact OD1-N 3.3Å
917Q32.6Very low29Very low134 Ų134127.5 Ų127.563%0.62670%0.699SS**  trans-95.1141.4179.1-64.6-165.21.600111.7D913 N915 I919D913-Q917 PolarHBondContact OD1-N 2.81Å; N915-Q917 VanDerWaalsContact C-N 3.28Å; N915-Q917 HydrophobicContact CB-CG 4.43Å; N915-Q917 PolarHBondContact O-N 3.41Å; Q917-I919 PolarHBondContact O-N 2.86Å
918F31.6Very low29Very low192 Ų192126.4 Ų126.484%0.84271%0.705SS**  trans-69.592.3166.8-81.3-86.4000109.3S920F918-S920 PolarHBondContact O-N 3.11Å
919I27.5Very low28.8Very low111 Ų111125.1 Ų125.157%0.56970%0.7SS**  trans-69.699.4167.1-55.9-175.5000107.7D913 Q917 T921D913-I919 HydrophobicContact CB-CD1 3.63Å; D913-I919 HydrophobicContact CB-CG1 4.18Å; Q917-I919 PolarHBondContact O-N 2.86Å; I919-T921 HydrophobicContact CG2-CG2 3.79Å; I919-T921 PolarHBondContact O-N 3.2Å
920S24.8Very low28.9Very low115 Ų115126.8 Ų126.880%0.80470%0.703SS**  trans-69.185164.458.80000109F918 S922F918-S920 PolarHBondContact O-N 3.11Å; S920-S922 PolarHBondContact O-N 3.25Å
921T25.4Very low28.7Very low113 Ų113123.8 Ų123.869%0.69369%0.694SS**  trans-63.8109.5174.341.40000109.6I919 N923I919-T921 HydrophobicContact CG2-CG2 3.79Å; I919-T921 PolarHBondContact O-N 3.2Å; T921-N923 PolarHBondContact O-N 3.23Å; T921-N923 VanDerWaalsContact O-N 3.11Å
922S24Very low28.8Very low110 Ų110117.1 Ų117.177%0.76968%0.679SS**  trans-55.9116.6166.851.50000108.5S920 P924S920-S922 PolarHBondContact O-N 3.25Å; S922-P924 WeakPolarHBondContact O-CD 3.47Å
923N26.7Very low28.7Very low107 Ų107118.8 Ų118.857%0.57269%0.688SS**  trans-56.8108.1-167.9-159.65.1000111T921 L925 F926T921-N923 PolarHBondContact O-N 3.23Å; T921-N923 VanDerWaalsContact O-N 3.11Å; N923-L925 PolarHBondContact O-N 3.34Å; N923-F926 PolarHBondContact O-N 3.06Å
924P25.1Very low28.1Very low119 Ų119121 Ų12177%0.77371%0.705SS**THydrogen-bonded Turntrans-81.536.8-172.135.5-35.7000112.2S922S922-P924 WeakPolarHBondContact O-CD 3.47Å
925L27.7Very low28Very low149 Ų149123.9 Ų123.978%0.7871%0.708SS**THydrogen-bonded Turntrans-138.535.4174.1-77.9175.6000110.2N923N923-L925 PolarHBondContact O-N 3.34Å
926F27.9Very low27.5Very low180 Ų180124 Ų12479%0.78972%0.718SS**SBendtrans-123.535.1171.5-107.1-79.6000112.6N923N923-F926 PolarHBondContact O-N 3.06Å
927D24.8Very low27.2Very low156 Ų156129.9 Ų129.983%0.83473%0.732SS**SBendtrans-144.7157.3159.1-124.4-36.8000109.9
928A26.8Very low27Very low87 Ų87131.4 Ų131.472%0.71974%0.744SS**SBendtrans59.348.7177.100000118.2
929N25.9Very low26.9Very low117 Ų117129.2 Ų129.263%0.62674%0.741SS**  -168.989.7128.3-99.7-36.7000112.8G931N929-G931 PolarHBondContact O-N 2.91Å
930L26.5Very low27.3Very low167 Ų167130 Ų13087%0.87475%0.746SS**  trans-75.472.3165.9-101.2160000110V932L930-V932 HydrophobicContact CD2-CG2 3.92Å; L930-V932 PolarHBondContact O-N 2.98Å
931G25.8Very low27.6Very low45 Ų45130.9 Ų130.946%0.46474%0.741SS.*  trans-70.159.3172.500000112.6N929 D933N929-G931 PolarHBondContact O-N 2.91Å; G931-D933 PolarHBondContact O-N 2.96Å
932V31.5Very low27.9Very low100 Ų100131.8 Ų131.861%0.60674%0.742SS**  trans-77.8107.6167.6178.80000107.1L930 P934L930-V932 HydrophobicContact CD2-CG2 3.92Å; L930-V932 PolarHBondContact O-N 2.98Å; V932-P934 WeakPolarHBondContact O-CD 3.42Å; V932-P934 VanDerWaalsContact O-N 3.09Å
933D26Very low28.2Very low151 Ų151134.3 Ų134.381%0.80774%0.739SS**  trans-56.3111.4170.4-78.9-43.1000109.8G931 M935G931-D933 PolarHBondContact O-N 2.96Å; D933-M935 PolarHBondContact O-N 3.41Å
934P27.1Very low28.4Very low90 Ų90136.5 Ų136.558%0.58475%0.746SS**  trans-86.198.1178.432.2-24.6000107.8V932 S936V932-P934 WeakPolarHBondContact O-CD 3.42Å; V932-P934 VanDerWaalsContact O-N 3.09Å; P934-S936 PolarHBondContact O-N 2.9Å; P934-S936 VanDerWaalsContact O-N 3.11Å
935M29.4Very low28.5Very low184 Ų184137.5 Ų137.591%0.90675%0.745SS**  trans-51.8122.5166.4-73.1-175.1-179.400108.6D933 M937D933-M935 PolarHBondContact O-N 3.41Å; M935-M937 VanDerWaalsContact C-N 3.3Å; M935-M937 PolarHBondContact O-N 3.17Å
936S26.8Very low28.7Very low121 Ų121140.3 Ų140.385%0.84675%0.751SS**  trans-78.268.2-156.244.10000114.5P934 N938P934-S936 PolarHBondContact O-N 2.9Å; P934-S936 VanDerWaalsContact O-N 3.11Å; S936-N938 PolarHBondContact O-N 3.03Å
937M26.7Very low28.7Very low179 Ų179137 Ų13788%0.88275%0.75SS**  trans-76.389.1157.8-87.6-76-177.200110M935M935-M937 VanDerWaalsContact C-N 3.3Å; M935-M937 PolarHBondContact O-N 3.17Å
938N29Very low29Very low166 Ų166133.1 Ų133.189%0.88875%0.747SS**  trans-171.2133.7146-101.3-23000111.4S936S936-N938 PolarHBondContact O-N 3.03Å
939N30.1Very low29.2Very low146 Ų146135.9 Ų135.978%0.78176%0.755SS**  trans-147.5141.9160.2-157.8-2.8000108.8
940I34.7Very low29.2Very low128 Ų128138.6 Ų138.666%0.65676%0.764SS**  trans71.290.9170.4-50.1179.8000116.5
941N31.7Very low29.4Very low134 Ų134138.5 Ų138.572%0.71776%0.764SS**  56.7131.4117.9-52.7-9.2000119
942N31.9Very low29.4Very low132 Ų132141.1 Ų141.171%0.70678%0.775SS**  cis-169.1151.439.8-112.1-17.4000114.3
943F30.2Very low29.3Very low163 Ų163143.7 Ų143.772%0.71578%0.781SS**  trans68116.2143.7-84.3-121.8000124
944Q31.9Very low29.5Very low152 Ų152145.7 Ų145.771%0.7178%0.778SS**  trans75105.8133.4-69.1-177.1-11.700122.4
945N26.6Very low29.5Very low140 Ų140145.5 Ų145.575%0.74978%0.779SS**  38123.6121.4-56.62.8000120
946F31.5Very low29.5Very low208 Ų208143.9 Ų143.991%0.91277%0.774SS**  -158.315696.4-116.4-80000112.1
947S27.7Very low29.6Very low110 Ų110142.5 Ų142.577%0.76977%0.765SS**  trans-93.4143-175.153.90000113.6
948G30.9Very low29.8Very low75 Ų75139.8 Ų139.877%0.77376%0.759SS**  trans-146.1141.7168.700000111.1
949V30.5Very low29.8Very low146 Ų146137.5 Ų137.589%0.88575%0.75SS**  trans-101.3158.9-167.8174.50000112.2
950Q26.6Very low29.8Very low173 Ų173138.5 Ų138.581%0.80876%0.756SS**  trans-54.5155.9176.5-60.6175-41.900114.2
951N29.9Very low29.6Very low166 Ų166136.2 Ų136.289%0.88876%0.764SS**  -159173.8124.2-102.4-19.2000111.1
952S27.5Very low29.4Very low99 Ų99135.1 Ų135.169%0.69277%0.767SS**  trans-122.6-174.8-153.648.20000115.4
953E28.6Very low29.4Very low155 Ų155135.9 Ų135.972%0.72477%0.771SS**  trans95.5163.8157.4-49.2-164.1127.500120.3
954Y30.2Very low29.2Very low192 Ų192134.2 Ų134.275%0.75377%0.774SS**  trans74.270.1169.3-66.4-75.1000121.4
955S26.5Very low29.1Very low87 Ų87137.3 Ų137.361%0.60878%0.781SS**  12.2161119.759.20000123.1
956N30.6Very low29.1Very low149 Ų149135.6 Ų135.680%0.79778%0.78SS**  trans82.5152.6168.3-55.8-39.8000117
957S27.4Very low29.1Very low92 Ų92131.8 Ų131.864%0.64377%0.774SS**  cis-168.2-175.5-30.662.40000108.7
958T31.4Very low29.2Very low123 Ų123136.9 Ų136.976%0.75578%0.778SS**  trans64.8123.317765.70000115.9
959T30Very low29.3Very low117 Ų117144.8 Ų144.872%0.71879%0.786SS**  cis89.9122.737.966.40000115.8
960N29.1Very low29.4Very low168 Ų168140.7 Ų140.790%0.89877%0.774SS**  trans72128.7164.2-59.5-11.1000117.8
961G31.6Very low29.6Very low80 Ų80139 Ų13983%0.82578%0.775SS**  trans168.467.6179.700000112.6
962S27.4Very low29.9Very low111 Ų111136.4 Ų136.478%0.77677%0.768SS**  trans-69133.2169.853.20000110.7
963N30.4Very low30.1Very low148 Ų148139 Ų13979%0.79177%0.774SS**  trans-167137.3140.2-97.3-27.1000112.1
964T27.2Very low30.4Very low128 Ų128140.9 Ų140.979%0.78579%0.785SS**  trans-77.4132.1166.946.60000110.3
965Y29.9Very low30.4Very low216 Ų216139.7 Ų139.785%0.84779%0.79SS**  trans-140.5134157.1-94.5-75.5000111.6
966S26Very low30.9Very low105 Ų105140.7 Ų140.773%0.73480%0.795SS**  trans-133.6123.7176.949.90000109.6
967T32Very low30.9Very low128 Ų128141.9 Ų141.979%0.78580%0.8SS**  trans-151.5115.4169.928.70000107.9
968Y29.1Very low31.2Very low216 Ų216142 Ų14285%0.84780%0.8SS**  83.9102.472.1-99.8-79.9000114.1
969Y32.8Very low31.3Very low241 Ų241143.7 Ų143.795%0.94580%0.803SS**  trans-146.9148.1142.3-90.5-78.4000106.4
970G32.7Very low31.4Very low61 Ų61143.2 Ų143.263%0.62980%0.802SS**  trans-170.7168.8-176.800000116.4
971T30.6Very low31.4Very low137 Ų137141.5 Ų141.584%0.8480%0.798SS**  trans45.5131.9148.456.80000119.1
972P36.8Very low31.4Very low112 Ų112144 Ų14473%0.72780%0.796SS**  -151.8156.867.839.3-19.9000119.5
973N32.4Very low31.6Very low153 Ų153146.3 Ų146.382%0.81880%0.795SS**  trans45.7115.8141.8-56.2-9.1000122.2
974M33.5Very low31.5Very low195 Ų195147.7 Ų147.796%0.96180%0.799SS**  -148.5162125.6-82.7-138.3175.800111.3
975L31.3Very low31.8Very low166 Ų166147.8 Ų147.887%0.86979%0.793SS**  trans-122.4-178.2-174.1-73.9148.1000109.3
976P35.6Very low31.9Very low108 Ų108143.6 Ų143.670%0.70179%0.79SS**  -130.5-176.6-59.540-25.3000111.3
977I31.8Very low32.3Very low175 Ų175145.7 Ų145.790%0.89779%0.792SS**  trans-169.9154.9145.5-102.5153.3000109
978S33Very low32.3Very low93 Ų93147.2 Ų147.265%0.6579%0.788SS**  trans-141.4147.6-150.958.40000116.5
979I33.3Very low32.5Very low160 Ų160152.1 Ų152.182%0.82181%0.805SS**  trans72.7152.4149.4-70.1163000115.3
980P32Very low32.5Very low107 Ų107147.7 Ų147.770%0.69580%0.798SS**  cis-115.71592.320.70.9000116.2
981T29.6Very low32.5Very low132 Ų132152.3 Ų152.381%0.8181%0.806SS**  trans-77.2144.9153.342.70000110.5
982V31.1Very low32.6Very low131 Ų131153.1 Ų153.179%0.79481%0.805SS**  trans-112.8111.1165.6178.50000108.8
983Q31.5Very low32.3Very low160 Ų160155.5 Ų155.575%0.74881%0.809SS**  trans-80.8128.3164.1-66.2175.8-76.800108.6
984M29.8Very low32.3Very low177 Ų177155.7 Ų155.787%0.87281%0.809SS**  trans-84.2109.8157.5-80.9-158-74.900109T986M984-T986 PolarHBondContact O-N 3Å
985I32.7Very low32.3Very low131 Ų131153.1 Ų153.167%0.67280%0.798SS**  trans-85.5106171.3-57.9174.4000107.5I987I985-I987 HydrophobicContact CG2-CG1 3.98Å; I985-I987 PolarHBondContact O-N 2.76Å
986T32.3Very low32.3Very low127 Ų127152.1 Ų152.178%0.77979%0.793SS**  trans-75.288174.6-50.70000110.2M984 K988M984-T986 PolarHBondContact O-N 3Å; T986-K988 PolarHBondContact O-N 3Å; T986-K988 VanDerWaalsContact O-N 3.1Å
987I35.3Very low32.1Very low150 Ų150155.5 Ų155.577%0.76980%0.8SS**  trans-70.7103.5172.4-61.9172.3000108.5I985I985-I987 HydrophobicContact CG2-CG1 3.98Å; I985-I987 PolarHBondContact O-N 2.76Å
988K31.9Very low32.1Very low160 Ų160153.9 Ų153.970%0.69679%0.792SS**  trans-65153164.5-75.5175.7178.3165.40109.8E844 T986E844-K988 IonicContact OE2-NZ 2.64Å; T986-K988 PolarHBondContact O-N 3Å; T986-K988 VanDerWaalsContact O-N 3.1Å
989R32.7Very low32Very low319 Ų319159.5 Ų159.5100%1.20481%0.805SS**  trans-114.50160.7-161.6-177.4-164.4-171.96.1108.8

Retrieved 989 of 989 residues in 561 ms (Link to these results)

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