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Lipase H

Hydrolyzes specifically phosphatidic acid (PA) to produce 2-acyl lysophosphatidic acid (LPA; a potent bioactive lipid mediator) and fatty acid. Does not hydrolyze other phospholipids, like phosphatidylserine (PS), phosphatidylcholine (PC) and phosphatidylethanolamine (PE) or triacylglycerol (TG).

AlphaFold DB (A0A2I3NDH3), UniProt , Accession A0A096MSG1, Species PAPAN (Papio anubis, Olive baboon), Gene LIPH, Length 451 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
1M34.7Very low38.8Very low248 Ų248176.9 Ų176.9100%1.22284%0.838SS**  0129.40-80.1-161.4-17400108.9
2L38.7Very low38.6Very low158 Ų158170.9 Ų170.983%0.82783%0.828SS**  trans-17129.5170.2-152.175.2000116.8
3R33.7Very low38.8Very low241 Ų241171.1 Ų171.191%0.90983%0.834SS**  trans-158.8119.4146.2-109.9168.6-167-158.82.6112.9
4F39.9Very low38.6Very low177 Ų177165.4 Ų165.478%0.77683%0.828SS**  trans-35.7138.7165.3-94-113.4000115
5Y37.8Very low38.5Very low225 Ų225169.3 Ų169.388%0.88283%0.829SS**  trans-139.7128.9143.6-88.5-77.1000111.4
6L44.1Very low38.4Very low122 Ų122164.9 Ų164.964%0.63982%0.821SS**  trans-47.7140.8173-88.666.1000112.7I8L6-I8 HydrophobicContact CD2-CD1 4.01Å; L6-I8 HydrophobicContact CD2-CG1 4.27Å
7F39.3Very low38.3Very low213 Ų213163.5 Ų163.593%0.93482%0.817SS**  trans-128.5113.8141.7-102.2-85.3000110
8I42.3Very low38.5Very low135 Ų135160.8 Ų160.869%0.69281%0.811SS**  trans-77.5132.4173.5-74.3169.1000108.5L6L6-I8 HydrophobicContact CD2-CD1 4.01Å; L6-I8 HydrophobicContact CD2-CG1 4.27Å
9S40.8Very low39Very low91 Ų91161.8 Ų161.864%0.63681%0.812SS**  trans22.1114.3146.5-167.20000118.7
10L38Very low39.9Very low160 Ų160162.9 Ų162.984%0.83881%0.814SS**  trans-142.577.3130.7-138.586.8000108.3C12L10-C12 PolarHBondContact O-N 2.98Å
11M37.8Very low41.8Very low176 Ų176161.4 Ų161.487%0.86781%0.814SS**  trans-68.889.7162.1-84.4-93.4141.100107.1L13M11-L13 VanDerWaalsContact C-N 3.35Å; M11-L13 PolarHBondContact O-N 2.77Å
12C36.8Very low44.3Very low105 Ų105152.2 Ų152.271%0.70977%0.774SS**  trans-59.9105.9157.2-78.30000106.7L10 A14L10-C12 PolarHBondContact O-N 2.98Å; C12-A14 PolarHBondContact O-N 3Å
13L40.9Very low46.8Very low173 Ų173146.8 Ų146.891%0.90675%0.748SS**  trans-57.680.4156.3-87.2143.3000107.6M11 R15M11-L13 VanDerWaalsContact C-N 3.35Å; M11-L13 PolarHBondContact O-N 2.77Å; L13-R15 PolarHBondContact O-N 2.96Å
14A35.8Very low49.6Very low91 Ų91139 Ų13975%0.75273%0.731SS**  trans-68.192155.400000105.1C12 S16C12-A14 PolarHBondContact O-N 3Å; A14-S16 VanDerWaalsContact C-N 3.27Å; A14-S16 PolarHBondContact O-N 2.89Å
15R37.4Very low52.2Low225 Ų225131.5 Ų131.585%0.84970%0.698SS**  trans-55.5103.1161.7-151.2175.2-166.1163.80.9104.4L13 D17L13-R15 PolarHBondContact O-N 2.96Å; R15-D17 PolarHBondContact O-N 2.89Å
16S36Very low55Low99 Ų99122 Ų12269%0.69266%0.663SS**  trans-58.595.4165.21530000105.2A14 T18A14-S16 VanDerWaalsContact C-N 3.27Å; A14-S16 PolarHBondContact O-N 2.89Å; S16-T18 VanDerWaalsContact C-N 3.26Å; S16-T18 PolarHBondContact O-N 2.86Å
17D37.7Very low57.4Low140 Ų140126 Ų12675%0.74967%0.669SS**  trans-55.9103.5159.3-83.7-22.8000105.2R15 E19R15-D17 PolarHBondContact O-N 2.89Å; D17-E19 VanDerWaalsContact C-N 3.34Å; D17-E19 PolarHBondContact O-N 2.95Å
18T42.3Very low60Low116 Ų116117.1 Ų117.171%0.71263%0.632SS**  trans-57.5105.7163.845.80000105.2S16 E20S16-T18 VanDerWaalsContact C-N 3.26Å; S16-T18 PolarHBondContact O-N 2.86Å; T18-E20 VanDerWaalsContact C-N 3.32Å; T18-E20 PolarHBondContact O-N 3.35Å
19E48Very low62.4Low180 Ų180113.7 Ų113.784%0.84162%0.62SS**  trans-52.9103168.5-78.7-176.1156.200107D17 T21D17-E19 VanDerWaalsContact C-N 3.34Å; D17-E19 PolarHBondContact O-N 2.95Å; E19-T21 PolarHBondContact O-N 2.93Å
20E55.9Low64.8Low182 Ų182115.1 Ų115.185%0.8562%0.615SS**  trans-64.6101.2178.1-122.4179.7176.200106.7T18 C22T18-E20 VanDerWaalsContact C-N 3.32Å; T18-E20 PolarHBondContact O-N 3.35Å; E20-C22 PolarHBondContact O-N 2.81Å; E20-C22 VanDerWaalsContact O-N 3.09Å
21T80.3Confident67.3Low132 Ų132113.7 Ų113.781%0.8160%0.604SS**  trans-68.6111.4-179.745.50000108.9E19E19-T21 PolarHBondContact O-N 2.93Å
22C87.6Confident70Confident55 Ų55106.3 Ų106.337%0.37257%0.569SS.*  trans-56.2134.6179-64.30000111.6E20 S24 C53E20-C22 PolarHBondContact O-N 2.81Å; E20-C22 VanDerWaalsContact O-N 3.09Å; C22-S24 PolarHBondContact O-N 3Å; C22-S24 VanDerWaalsContact O-N 3.09Å; C22-C53 HydrophobicContact CB-CB 3.67Å; C22-C53 WeakPolarHBondContact CB-SG 3.26Å; C22-C53 WeakPolarHBondContact SG-CB 2.91Å; C22-C53 CovalentContact SG-SG 2.01Å; C22-C53 PolarHBondContact SG-SG 3.21Å
23P91.4Very high72.6Confident45 Ų45101.4 Ų101.429%0.29254%0.536SS..  trans-49.3119.8168.6-28.832.8000111.6L44 A54 T56P23-L44 HydrophobicContact CB-CD2 4.12Å; P23-A54 VanDerWaalsContact CD-O 3.26Å; P23-A54 WeakPolarHBondContact CD-O 3.49Å; P23-A54 WeakPolarHBondContact O-CB 3.21Å; P23-T56 WeakPolarHBondContact CB-OG1 3.4Å
24S91.1Very high75Confident78 Ų7897.3 Ų97.355%0.54552%0.518SS..  trans-114.9165.3176.672.70000111.4C22 T26 R42C22-S24 PolarHBondContact O-N 3Å; C22-S24 VanDerWaalsContact O-N 3.09Å; S24-T26 PolarHBondContact O-N 3.05Å; S24-R42 PolarHBondContact O-NH1 3.17Å
25F94.8Very high77.7Confident19 Ų1997.9 Ų97.98%0.08351%0.512CS..PPolyproline II helixtrans-53.7135171.4-164.3-81.9000110.6R27 H76 P84 P85 M88 V105 D107 N109F25-R27 PolarHBondContact O-N 2.66Å; F25-H76 AromaticContact CE2-CD2 3.57Å; F25-H76 AromaticContact CE2-NE2 3.96Å; F25-H76 AromaticContact CZ-CD2 3.42Å; F25-H76 VanDerWaalsContact CZ-CD2 3.42Å; F25-H76 WeakPolarHBondContact CZ-CD2 3.19Å; F25-H76 AromaticContact CZ-NE2 3.46Å; F25-H76 WeakPolarHBondContact CZ-NE2 3.42Å; F25-P84 HydrophobicContact CB-CB 4.24Å; F25-P84 HydrophobicContact CB-CG 4.41Å; F25-P84 HydrophobicContact CD1-CB 3.68Å; F25-P84 HydrophobicContact CD1-CG 3.9Å; F25-P84 HydrophobicContact CE1-CB 4.32Å; F25-P84 HydrophobicContact CG-CB 4.09Å; F25-P85 HydrophobicContact CE2-CG 4.47Å; F25-P85 HydrophobicContact CZ-CG 4.31Å; F25-M88 HydrophobicContact CE2-CE 4.21Å; F25-V105 HydrophobicContact CD2-CG1 4.02Å; F25-V105 HydrophobicContact CE2-CG1 4.19Å; F25-D107 HydrophobicContact CD2-CB 4.09Å; F25-D107 HydrophobicContact CE2-CB 4.04Å; F25-N109 HydrophobicContact CE1-CB 3.76Å; F25-N109 HydrophobicContact CZ-CB 4.09Å
26T96.2Very high80.2Confident25 Ų2588.9 Ų88.915%0.15349%0.489CS..PPolyproline II helixtrans-63121.3-177.8-60.30000109.9S24 L28 R42 D107 N109 R110S24-T26 PolarHBondContact O-N 3.05Å; T26-L28 HydrophobicContact CG2-CD2 4.05Å; T26-L28 HydrophobicContact CG2-CG 4.1Å; T26-R42 PolarHBondContact OG1-NH1 2.91Å; T26-D107 WeakPolarHBondContact CA-OD2 3.38Å; T26-D107 WeakPolarHBondContact CB-OD2 3.11Å; T26-D107 PolarHBondContact N-OD2 2.67Å; T26-D107 PolarHBondContact OG1-OD2 3.15Å; T26-N109 PolarHBondContact O-ND2 3.04Å; T26-R110 HydrophobicContact CG2-CG 4.19Å
27R95.4Very high82.9Confident205 Ų20586.1 Ų86.177%0.77447%0.468SS*.PPolyproline II helixtrans-100.1121.8174.3-173.4171.8-174155-0.3109.5F25F25-R27 PolarHBondContact O-N 2.66Å
28L94.6Very high85.6Confident28 Ų2883 Ų8315%0.14746%0.462CS..  trans-112.1160.8175-61.8174.8000110T26 G82 R110 T113T26-L28 HydrophobicContact CG2-CD2 4.05Å; T26-L28 HydrophobicContact CG2-CG 4.1Å; L28-G82 PolarHBondContact N-O 2.89Å; L28-R110 HydrophobicContact CD1-CG 4.2Å; L28-T113 HydrophobicContact CB-CG2 4.26Å; L28-T113 HydrophobicContact CD1-CG2 4.08Å
29S92.1Very high88.2Confident62 Ų6280 Ų8043%0.43444%0.441SS..  trans-97.5167.1175.369.10000110.6H31 S32 A33S29-H31 PolarHBondContact O-N 2.78Å; S29-H31 PolarHBondContact OG-N 3.1Å; S29-S32 VanDerWaalsContact O-CB 3.3Å; S29-S32 WeakPolarHBondContact O-CB 3.14Å; S29-S32 PolarHBondContact O-N 3.39Å; S29-A33 PolarHBondContact O-N 3.15Å
30F89.9Confident90.6Very high122 Ų12275 Ų7554%0.53542%0.42SS..Hα-helixtrans-58.3-31.7173.1-172.1-101.9000112.4S32 A33 V34 I80 L115F30-S32 VanDerWaalsContact C-N 3.27Å; F30-S32 PolarHBondContact O-N 3.39Å; F30-A33 WeakPolarHBondContact O-CB 3.31Å; F30-A33 PolarHBondContact O-N 3.27Å; F30-V34 HydrophobicContact CD1-CG2 4.15Å; F30-V34 HydrophobicContact CE1-CG2 3.85Å; F30-V34 HydrophobicContact CZ-CG2 4.46Å; F30-V34 PolarHBondContact O-N 3Å; F30-I80 HydrophobicContact CE2-CG2 4.45Å; F30-L115 HydrophobicContact CE2-CD2 3.74Å; F30-L115 HydrophobicContact CZ-CD1 4.25Å; F30-L115 HydrophobicContact CZ-CD2 3.94Å
31H92.2Very high92.6Very high130 Ų13067.4 Ų67.460%0.60239%0.386SS*.Hα-helixtrans-58.7-38.7173.8178.4-88.3000112.1S29 A33 V34 V35S29-H31 PolarHBondContact O-N 2.78Å; S29-H31 PolarHBondContact OG-N 3.1Å; H31-A33 VanDerWaalsContact C-N 3.26Å; H31-A33 PolarHBondContact O-N 3.01Å; H31-V34 PolarHBondContact O-N 3.1Å; H31-V35 VanDerWaalsContact CE1-CG2 3.45Å; H31-V35 WeakPolarHBondContact CE1-CG2 3.27Å; H31-V35 PolarHBondContact O-N 2.86Å
32S93.6Very high93.4Very high21 Ų2164.2 Ų64.215%0.14736%0.359CS..Hα-helixtrans-62.9-32.7174.4-54.70000112.6S29 F30 V34 G36S29-S32 VanDerWaalsContact O-CB 3.3Å; S29-S32 WeakPolarHBondContact O-CB 3.14Å; S29-S32 PolarHBondContact O-N 3.39Å; F30-S32 VanDerWaalsContact C-N 3.27Å; F30-S32 PolarHBondContact O-N 3.39Å; S32-V34 VanDerWaalsContact C-N 3.32Å; S32-G36 CarbonylContact O-C 3.47Å; S32-G36 VanDerWaalsContact O-CA 3.24Å; S32-G36 WeakPolarHBondContact O-CA 3.48Å; S32-G36 PolarHBondContact O-N 2.98Å
33A91.6Very high93.9Very high1 Ų162 Ų621%0.00834%0.344CS..Hα-helixtrans-70.1-30.3176.800000112.7S29 F30 H31 I80 T113 T114 L115S29-A33 PolarHBondContact O-N 3.15Å; F30-A33 WeakPolarHBondContact O-CB 3.31Å; F30-A33 PolarHBondContact O-N 3.27Å; H31-A33 VanDerWaalsContact C-N 3.26Å; H31-A33 PolarHBondContact O-N 3.01Å; A33-I80 WeakPolarHBondContact CB-O 3.39Å; A33-T113 HydrophobicContact CB-CG2 3.77Å; A33-T114 WeakPolarHBondContact O-CA 3.34Å; A33-L115 HydrophobicContact CB-CD2 4.16Å; A33-L115 HydrophobicContact CB-CG 4.33Å; A33-L115 PolarHBondContact O-N 3.14Å; A33-L115 VanDerWaalsContact O-N 3.16Å
34V91.9Very high94.2Very high88 Ų8859.9 Ų59.953%0.53333%0.33SS..Hα-helixtrans-77.6-51.7177.9177.70000111.2F30 H31 S32 L115F30-V34 HydrophobicContact CD1-CG2 4.15Å; F30-V34 HydrophobicContact CE1-CG2 3.85Å; F30-V34 HydrophobicContact CZ-CG2 4.46Å; F30-V34 PolarHBondContact O-N 3Å; H31-V34 PolarHBondContact O-N 3.1Å; S32-V34 VanDerWaalsContact C-N 3.32Å; V34-L115 HydrophobicContact CG2-CD1 3.85Å
35V92.6Very high94.5Very high103 Ų10356.2 Ų56.262%0.62430%0.304SS*.Hα-helixtrans-77.8-25.8-176.4179.10000112H31H31-V35 VanDerWaalsContact CE1-CG2 3.45Å; H31-V35 WeakPolarHBondContact CE1-CG2 3.27Å; H31-V35 PolarHBondContact O-N 2.86Å
36G89.1Confident94.7Very high36 Ų3656.8 Ų56.837%0.37131%0.306SS..  trans83.3162-173.700000112.7S32S32-G36 CarbonylContact O-C 3.47Å; S32-G36 VanDerWaalsContact O-CA 3.24Å; S32-G36 WeakPolarHBondContact O-CA 3.48Å; S32-G36 PolarHBondContact O-N 2.98Å
37T93Very high94.7Very high40 Ų4056.2 Ų56.225%0.24530%0.303CS..  trans-135.3152.2177.643.40000110.6R110T37-R110 WeakPolarHBondContact CB-O 3.22Å; T37-R110 VanDerWaalsContact OG1-C 3.31Å; T37-R110 WeakPolarHBondContact OG1-CA 3.4Å; T37-R110 PolarHBondContact OG1-O 2.77Å
38A94.4Very high94.6Very high75 Ų7551.8 Ų51.862%0.6229%0.286SS*.  trans-67.614317000000110.1N40 R110A38-N40 PolarHBondContact O-N 2.7Å; A38-R110 VanDerWaalsContact O-CB 3.24Å; A38-R110 WeakPolarHBondContact O-CB 3.28Å
39L97.2Very high94.4Very high52 Ų5260.9 Ų60.927%0.27232%0.318SS..  trans-59.8125.9174.7176.864.4000109.3V41 K123 K126 V127L39-V41 HydrophobicContact CD1-CG2 4.05Å; L39-V41 HydrophobicContact CG-CG2 4.38Å; L39-K123 HydrophobicContact CD1-CB 4.46Å; L39-K123 HydrophobicContact CD2-CB 4.39Å; L39-K123 HydrophobicContact CD2-CD 4.46Å; L39-K126 HydrophobicContact CD2-CB 3.64Å; L39-K126 HydrophobicContact CD2-CD 4.45Å; L39-V127 HydrophobicContact CD1-CG2 3.85Å; L39-V127 HydrophobicContact CD2-CG2 4.4Å
40N97.1Very high94.1Very high76 Ų7659.7 Ų59.741%0.40631%0.307SS..  trans-140.2127168.9-174.415.4000107.1A38 R110A38-N40 PolarHBondContact O-N 2.7Å; N40-R110 HydrophobicContact CB-CB 4.34Å; N40-R110 HydrophobicContact CB-CG 4.43Å
41V98.3Very high94Very high23 Ų2357.6 Ų57.614%0.13930%0.301CS..  trans-109.9121.3179.1-177.30000107.5L39 L43 V106 D107 W108 V127 V130L39-V41 HydrophobicContact CD1-CG2 4.05Å; L39-V41 HydrophobicContact CG-CG2 4.38Å; V41-L43 HydrophobicContact CG1-CD2 4.18Å; V41-V106 HydrophobicContact CG1-CG1 3.84Å; V41-D107 WeakPolarHBondContact CA-O 3.4Å; V41-W108 HydrophobicContact CG2-CB 4.03Å; V41-V127 HydrophobicContact CG1-CG1 4.43Å; V41-V127 HydrophobicContact CG2-CB 4.39Å; V41-V127 HydrophobicContact CG2-CG1 4.1Å; V41-V127 HydrophobicContact CG2-CG2 4.01Å; V41-V130 HydrophobicContact CB-CG1 4.04Å; V41-V130 HydrophobicContact CG1-CG1 4.15Å; V41-V130 HydrophobicContact CG2-CB 4.5Å; V41-V130 HydrophobicContact CG2-CG2 4.46Å
42R97.8Very high93.7Very high65 Ų6556.2 Ų56.225%0.24530%0.302CS..EExtended strand (participates in β ladder)trans-110.8135.4174.3-6517565.2-148.9-2.5108.8S24 T26 D107S24-R42 PolarHBondContact O-NH1 3.17Å; T26-R42 PolarHBondContact OG1-NH1 2.91Å; R42-D107 HydrophobicContact CB-CB 4.22Å; R42-D107 PolarHBondContact N-O 2.01Å; R42-D107 IonicContact NH1-OD2 2.7Å; R42-D107 PolarHBondContact O-N 2.85Å
43L98.3Very high93.5Very high8 Ų856.7 Ų56.74%0.04231%0.305CS..EExtended strand (participates in β ladder)trans-103.8117.8175.1-53.1179.5000108.1V41 T56 V57 V104 V106 L131 F134V41-L43 HydrophobicContact CG1-CD2 4.18Å; L43-T56 WeakPolarHBondContact O-CA 3.41Å; L43-V57 HydrophobicContact CB-CG2 3.65Å; L43-V57 WeakPolarHBondContact CB-O 3.24Å; L43-V57 PolarHBondContact O-N 3.24Å; L43-V104 HydrophobicContact CB-CG1 3.87Å; L43-V104 HydrophobicContact CD2-CG1 4.27Å; L43-V106 HydrophobicContact CD2-CB 4.47Å; L43-V106 HydrophobicContact CD2-CG1 4.28Å; L43-V106 HydrophobicContact CD2-CG2 4.06Å; L43-L131 HydrophobicContact CD2-CD2 3.62Å; L43-F134 HydrophobicContact CD1-CB 3.79Å; L43-F134 HydrophobicContact CD1-CD1 3.55Å; L43-F134 HydrophobicContact CD1-CD2 3.6Å; L43-F134 HydrophobicContact CD1-CE1 3.94Å; L43-F134 HydrophobicContact CD1-CE2 4Å; L43-F134 HydrophobicContact CD1-CG 3.34Å; L43-F134 HydrophobicContact CD1-CZ 4.15Å
44L97.5Very high93.7Very high0 Ų056.8 Ų56.80%031%0.305CS..EExtended strand (participates in β ladder)trans-110.5103.9-175.8-58.3179.2000108.3P23 Y46 A54 V105 D107P23-L44 HydrophobicContact CB-CD2 4.12Å; L44-Y46 HydrophobicContact CB-CE2 4.08Å; L44-Y46 WeakPolarHBondContact O-CD2 3.48Å; L44-A54 HydrophobicContact CB-CB 3.82Å; L44-A54 HydrophobicContact CD2-CB 4.36Å; L44-V105 HydrophobicContact CB-CB 4.18Å; L44-V105 PolarHBondContact N-O 3.23Å; L44-V105 PolarHBondContact O-N 2.76Å; L44-D107 HydrophobicContact CD1-CB 4.18Å
45L97.7Very high93.8Very high2 Ų255.2 Ų55.21%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-81.3132.1-179.8175.571.3000111T47 A54 Q55 V57 N64 L65 N102 V103 V104L45-T47 HydrophobicContact CD1-CG2 4.12Å; L45-T47 HydrophobicContact CD2-CG2 4.31Å; L45-T47 HydrophobicContact CG-CG2 4.16Å; L45-A54 WeakPolarHBondContact O-CA 3.46Å; L45-Q55 HydrophobicContact CB-CB 4.41Å; L45-Q55 PolarHBondContact N-O 3.43Å; L45-Q55 PolarHBondContact O-N 2.9Å; L45-V57 HydrophobicContact CB-CG1 3.7Å; L45-V57 HydrophobicContact CB-CG2 4.17Å; L45-V57 HydrophobicContact CD2-CG1 3.93Å; L45-V57 HydrophobicContact CG-CG1 4.43Å; L45-N64 HydrophobicContact CD2-CB 4.5Å; L45-L65 HydrophobicContact CD1-CB 4.33Å; L45-L65 HydrophobicContact CD1-CD1 4.39Å; L45-L65 HydrophobicContact CD2-CB 3.85Å; L45-L65 VanDerWaalsContact CD2-N 3.32Å; L45-N102 HydrophobicContact CD1-CB 3.94Å; L45-V103 CarbonylContact C-O 3.06Å; L45-V104 HydrophobicContact CD1-CG2 4.01Å
46Y97.3Very high93.9Very high31 Ų3153.2 Ų53.212%0.12228%0.281CS..EExtended strand (participates in β ladder)trans-123.8146.5166.9-60.4-96.6000109.3L44 A54 V92 V103 V105L44-Y46 HydrophobicContact CB-CE2 4.08Å; L44-Y46 WeakPolarHBondContact O-CD2 3.48Å; Y46-A54 HydrophobicContact CD1-CB 4.38Å; Y46-A54 HydrophobicContact CD2-CB 4.34Å; Y46-A54 HydrophobicContact CE1-CB 3.76Å; Y46-A54 HydrophobicContact CE2-CB 3.7Å; Y46-V92 HydrophobicContact CD1-CG1 3.94Å; Y46-V92 HydrophobicContact CD2-CG1 3.98Å; Y46-V92 HydrophobicContact CD2-CG2 4.24Å; Y46-V92 HydrophobicContact CE2-CG2 4.44Å; Y46-V92 HydrophobicContact CG-CG1 3.57Å; Y46-V103 PolarHBondContact N-O 2.84Å; Y46-V103 PolarHBondContact O-N 2.85Å; Y46-V105 HydrophobicContact CD2-CG2 4.08Å; Y46-V105 HydrophobicContact CE2-CB 4.27Å; Y46-V105 HydrophobicContact CE2-CG2 3.79Å
47T96.3Very high94.1Very high13 Ų1351.7 Ų51.78%0.0826%0.264CS..EExtended strand (participates in β ladder)trans-142.4171.2176.565.10000108.5L45 R49 N50L45-T47 HydrophobicContact CD1-CG2 4.12Å; L45-T47 HydrophobicContact CD2-CG2 4.31Å; L45-T47 HydrophobicContact CG-CG2 4.16Å; T47-R49 PolarHBondContact O-N 2.96Å; T47-R49 VanDerWaalsContact O-N 3.1Å; T47-R49 PolarHBondContact OG1-N 3.31Å; T47-N50 PolarHBondContact N-O 3.09Å; T47-N50 CarbonylContact O-C 3.56Å; T47-N50 WeakPolarHBondContact O-CA 2.94Å; T47-N50 PolarHBondContact O-N 3.29Å; T47-N50 VanDerWaalsContact O-O 3.06Å
48R94Very high94Very high112 Ų11253.1 Ų53.142%0.42327%0.27SS..THydrogen-bonded Turntrans-58.1-25.2174-72.6-174.6172-176.1-4.8113.8N50 L96 E99R48-N50 VanDerWaalsContact C-N 3.27Å; R48-L96 HydrophobicContact CG-CB 4.36Å; R48-L96 HydrophobicContact CG-CD2 4.35Å; R48-L96 PolarHBondContact NE-O 3.29Å; R48-L96 PolarHBondContact NH2-O 2.89Å; R48-E99 VanDerWaalsContact CZ-C 3.47Å; R48-E99 PolarHBondContact NE-O 2.83Å; R48-E99 VanDerWaalsContact NH2-CA 3.35Å; R48-E99 PolarHBondContact NH2-O 3.3Å
49R89.9Confident93.4Very high219 Ų21952 Ų5283%0.82626%0.258SS*.THydrogen-bonded Turntrans-73.3-22.4174.5-63.3-178.5-1791730.5112.4T47T47-R49 PolarHBondContact O-N 2.96Å; T47-R49 VanDerWaalsContact O-N 3.1Å; T47-R49 PolarHBondContact OG1-N 3.31Å
50N87.6Confident92.6Very high37 Ų3754.8 Ų54.820%0.19828%0.282CS..EExtended strand (participates in β ladder)trans-144.884.1-176.1-158.8-16.6000111.9T47 R48 C53T47-N50 PolarHBondContact N-O 3.09Å; T47-N50 CarbonylContact O-C 3.56Å; T47-N50 WeakPolarHBondContact O-CA 2.94Å; T47-N50 PolarHBondContact O-N 3.29Å; T47-N50 VanDerWaalsContact O-O 3.06Å; R48-N50 VanDerWaalsContact C-N 3.27Å; N50-C53 PolarHBondContact ND2-O 3.04Å; N50-C53 VanDerWaalsContact OD1-CA 3.27Å; N50-C53 WeakPolarHBondContact OD1-CA 3.1Å; N50-C53 WeakPolarHBondContact OD1-CB 3.27Å; N50-C53 PolarHBondContact OD1-N 3.42Å; N50-C53 PolarHBondContact OD1-O 2.94Å
51L86.3Confident92Very high77 Ų7753.4 Ų53.440%0.40328%0.28SS..EExtended strand (participates in β ladder)trans-78.4-23.2-174.3-66.3172.9000113.7L96L51-L96 HydrophobicContact CD2-CB 3.87Å; L51-L96 HydrophobicContact CD2-CD1 3.71Å; L51-L96 HydrophobicContact CD2-CG 4.42Å
52T86.3Confident91.4Very high102 Ų10254.1 Ų54.163%0.62628%0.282SS*.EExtended strand (participates in β ladder)trans-126.6-17-16953.50000113.8
53C90.3Very high90.8Very high31 Ų3153.7 Ų53.721%0.20930%0.297CS..EExtended strand (participates in β ladder)trans-116.6104-176.6173.60000109.5C22 N50C22-C53 HydrophobicContact CB-CB 3.67Å; C22-C53 WeakPolarHBondContact CB-SG 3.26Å; C22-C53 WeakPolarHBondContact SG-CB 2.91Å; C22-C53 CovalentContact SG-SG 2.01Å; C22-C53 PolarHBondContact SG-SG 3.21Å; N50-C53 PolarHBondContact ND2-O 3.04Å; N50-C53 VanDerWaalsContact OD1-CA 3.27Å; N50-C53 WeakPolarHBondContact OD1-CA 3.1Å; N50-C53 WeakPolarHBondContact OD1-CB 3.27Å; N50-C53 PolarHBondContact OD1-N 3.42Å; N50-C53 PolarHBondContact OD1-O 2.94Å
54A94.2Very high90.4Very high2 Ų257.2 Ų57.22%0.01732%0.316CS..EExtended strand (participates in β ladder)trans-68.7153.6-176.600000112P23 L44 L45 Y46P23-A54 VanDerWaalsContact CD-O 3.26Å; P23-A54 WeakPolarHBondContact CD-O 3.49Å; P23-A54 WeakPolarHBondContact O-CB 3.21Å; L44-A54 HydrophobicContact CB-CB 3.82Å; L44-A54 HydrophobicContact CD2-CB 4.36Å; L45-A54 WeakPolarHBondContact O-CA 3.46Å; Y46-A54 HydrophobicContact CD1-CB 4.38Å; Y46-A54 HydrophobicContact CD2-CB 4.34Å; Y46-A54 HydrophobicContact CE1-CB 3.76Å; Y46-A54 HydrophobicContact CE2-CB 3.7Å
55Q94.4Very high90.3Very high56 Ų5658 Ų5826%0.26232%0.321SS..EExtended strand (participates in β ladder)trans-103.5131.8162.2-67.3-177.5-21.200109.1L45 V57 N64L45-Q55 HydrophobicContact CB-CB 4.41Å; L45-Q55 PolarHBondContact N-O 3.43Å; L45-Q55 PolarHBondContact O-N 2.9Å; Q55-V57 PolarHBondContact O-N 3.45Å; Q55-N64 PolarHBondContact NE2-ND2 3.33Å; Q55-N64 VanDerWaalsContact OE1-CB 3.22Å; Q55-N64 VanDerWaalsContact OE1-CG 3.29Å; Q55-N64 VanDerWaalsContact OE1-N 3.1Å; Q55-N64 PolarHBondContact OE1-ND2 2.9Å
56T94.7Very high90.1Very high61 Ų6160.9 Ų60.937%0.37434%0.336SS..EExtended strand (participates in β ladder)trans-75.5123.7172.3-610000108.5P23 L43P23-T56 WeakPolarHBondContact CB-OG1 3.4Å; L43-T56 WeakPolarHBondContact O-CA 3.41Å
57V94.4Very high90.1Very high3 Ų360.6 Ų60.62%0.01834%0.337CS..EExtended strand (participates in β ladder)trans-116.2155.3176.3-610000110.3L43 L45 Q55 A61 F62 F134L43-V57 HydrophobicContact CB-CG2 3.65Å; L43-V57 WeakPolarHBondContact CB-O 3.24Å; L43-V57 PolarHBondContact O-N 3.24Å; L45-V57 HydrophobicContact CB-CG1 3.7Å; L45-V57 HydrophobicContact CB-CG2 4.17Å; L45-V57 HydrophobicContact CD2-CG1 3.93Å; L45-V57 HydrophobicContact CG-CG1 4.43Å; Q55-V57 PolarHBondContact O-N 3.45Å; V57-A61 VanDerWaalsContact CA-O 3.31Å; V57-A61 WeakPolarHBondContact CA-O 3.32Å; V57-A61 WeakPolarHBondContact CB-O 3.47Å; V57-F62 VanDerWaalsContact CG1-O 3.27Å; V57-F62 WeakPolarHBondContact CG1-O 3.42Å; V57-F134 HydrophobicContact CB-CE2 4.28Å; V57-F134 HydrophobicContact CB-CZ 4.25Å; V57-F134 HydrophobicContact CG2-CE2 4.06Å; V57-F134 HydrophobicContact CG2-CZ 3.69Å
58N90.8Very high90Very high71 Ų7165 Ų6538%0.3836%0.364SS..BIsolated β-bridgetrans-154.6179.2174.660.953.8000109.7S60 A61 F134N58-S60 PolarHBondContact O-N 3.14Å; N58-S60 WeakPolarHBondContact OD1-CA 3.45Å; N58-S60 WeakPolarHBondContact OD1-CB 3.49Å; N58-S60 PolarHBondContact OD1-N 3.25Å; N58-A61 PolarHBondContact N-O 3.3Å; N58-A61 CarbonylContact O-C 3.54Å; N58-A61 PolarHBondContact O-N 3.05Å; N58-A61 VanDerWaalsContact O-N 3.1Å; N58-A61 PolarHBondContact OD1-N 3.27Å; N58-F134 WeakPolarHBondContact O-CE2 3.03Å
59S81.4Confident90.2Very high52 Ų5262.2 Ų62.236%0.36436%0.355SS..THydrogen-bonded Turntrans-58.8-15.7-17946.50000114.8
60S80.9Confident90.6Very high110 Ų11053.6 Ų53.677%0.76932%0.324SS*.THydrogen-bonded Turntrans-109.7-9179.6-47.80000113.4N58N58-S60 PolarHBondContact O-N 3.14Å; N58-S60 WeakPolarHBondContact OD1-CA 3.45Å; N58-S60 WeakPolarHBondContact OD1-CB 3.49Å; N58-S60 PolarHBondContact OD1-N 3.25Å
61A84.8Confident91.1Very high46 Ų4651.9 Ų51.938%0.3832%0.315SS..BIsolated β-bridgetrans-149.2101.7-176.200000110.4V57 N58 G63V57-A61 VanDerWaalsContact CA-O 3.31Å; V57-A61 WeakPolarHBondContact CA-O 3.32Å; V57-A61 WeakPolarHBondContact CB-O 3.47Å; N58-A61 PolarHBondContact N-O 3.3Å; N58-A61 CarbonylContact O-C 3.54Å; N58-A61 PolarHBondContact O-N 3.05Å; N58-A61 VanDerWaalsContact O-N 3.1Å; N58-A61 PolarHBondContact OD1-N 3.27Å; A61-G63 VanDerWaalsContact C-N 3.31Å
62F84.7Confident91.7Very high38 Ų3848.2 Ų48.217%0.16730%0.296CS..  trans-79.2-11177.6-70.8-61.5000114.3V57 N64 L65 F134 Q137 M138 E141V57-F62 VanDerWaalsContact CG1-O 3.27Å; V57-F62 WeakPolarHBondContact CG1-O 3.42Å; F62-N64 PolarHBondContact O-N 3.22Å; F62-L65 HydrophobicContact CB-CB 4.21Å; F62-L65 HydrophobicContact CD1-CD1 4.49Å; F62-L65 HydrophobicContact CD1-CD2 4.4Å; F62-L65 WeakPolarHBondContact O-CB 3.42Å; F62-L65 PolarHBondContact O-N 2.96Å; F62-F134 AromaticContact CD1-CE2 3.79Å; F62-F134 HydrophobicContact CD1-CE2 3.79Å; F62-F134 AromaticContact CD1-CZ 4Å; F62-F134 HydrophobicContact CD1-CZ 4Å; F62-F134 HydrophobicContact CE1-CD2 4.23Å; F62-F134 AromaticContact CE1-CE2 3.64Å; F62-F134 HydrophobicContact CE1-CE2 3.64Å; F62-F134 HydrophobicContact CE1-CZ 4.02Å; F62-Q137 HydrophobicContact CE1-CB 4.37Å; F62-Q137 HydrophobicContact CE2-CB 4.37Å; F62-Q137 HydrophobicContact CZ-CB 3.54Å; F62-M138 HydrophobicContact CD1-CG 4.4Å; F62-M138 HydrophobicContact CE1-CG 3.62Å; F62-M138 HydrophobicContact CZ-CG 4.25Å; F62-E141 HydrophobicContact CD2-CG 4.27Å; F62-E141 HydrophobicContact CE2-CG 3.62Å; F62-E141 HydrophobicContact CZ-CG 4.34Å
63G85.8Confident92.3Very high56 Ų5643.4 Ų43.458%0.57727%0.266SS*.THydrogen-bonded Turntrans55.7-127.3-176.600000111A61 L65A61-G63 VanDerWaalsContact C-N 3.31Å; G63-L65 VanDerWaalsContact C-N 3.35Å
64N89.3Confident92.7Very high82 Ų8241.9 Ų41.944%0.43926%0.256SS..THydrogen-bonded Turntrans-9113.4176.9-67.8-20.3000114.3L45 Q55 F62 N66L45-N64 HydrophobicContact CD2-CB 4.5Å; Q55-N64 PolarHBondContact NE2-ND2 3.33Å; Q55-N64 VanDerWaalsContact OE1-CB 3.22Å; Q55-N64 VanDerWaalsContact OE1-CG 3.29Å; Q55-N64 VanDerWaalsContact OE1-N 3.1Å; Q55-N64 PolarHBondContact OE1-ND2 2.9Å; F62-N64 PolarHBondContact O-N 3.22Å; N64-N66 PolarHBondContact O-N 2.76Å
65L94.6Very high92.9Very high17 Ų1741.8 Ų41.89%0.08926%0.255CS..  trans-63131177-175.4151.3000109.2L45 F62 G63 V67 N102 V104 F134 M138L45-L65 HydrophobicContact CD1-CB 4.33Å; L45-L65 HydrophobicContact CD1-CD1 4.39Å; L45-L65 HydrophobicContact CD2-CB 3.85Å; L45-L65 VanDerWaalsContact CD2-N 3.32Å; F62-L65 HydrophobicContact CB-CB 4.21Å; F62-L65 HydrophobicContact CD1-CD1 4.49Å; F62-L65 HydrophobicContact CD1-CD2 4.4Å; F62-L65 WeakPolarHBondContact O-CB 3.42Å; F62-L65 PolarHBondContact O-N 2.96Å; G63-L65 VanDerWaalsContact C-N 3.35Å; L65-V67 HydrophobicContact CD2-CB 4.44Å; L65-V67 HydrophobicContact CD2-CG1 3.56Å; L65-N102 HydrophobicContact CG-CB 4.44Å; L65-V104 HydrophobicContact CD1-CG2 4.42Å; L65-F134 HydrophobicContact CD1-CE1 4.23Å; L65-F134 HydrophobicContact CD1-CZ 3.88Å; L65-M138 HydrophobicContact CD1-CE 4.42Å; L65-M138 HydrophobicContact CD1-SD 4.26Å; L65-M138 HydrophobicContact CD2-CE 4.35Å
66N95.3Very high93.1Very high62 Ų6239.2 Ų39.233%0.33224%0.243SC..  trans-106.6108.2173.6-177.9-8.7000109.9N64 T68 K69 N102N64-N66 PolarHBondContact O-N 2.76Å; N66-T68 PolarHBondContact O-N 3.29Å; N66-T68 VanDerWaalsContact O-N 3.17Å; N66-T68 PolarHBondContact OD1-N 3.35Å; N66-T68 PolarHBondContact OD1-OG1 2.82Å; N66-K69 HydrophobicContact CB-CD 4.1Å; N66-K69 HydrophobicContact CB-CG 4.19Å; N66-K69 WeakPolarHBondContact O-CB 3.49Å; N66-K69 PolarHBondContact O-N 2.92Å; N66-N102 PolarHBondContact N-OD1 3.12Å; N66-N102 VanDerWaalsContact N-OD1 3.15Å; N66-N102 PolarHBondContact O-ND2 3.37Å
67V95.7Very high93.3Very high25 Ų2536.6 Ų36.615%0.15223%0.228CC..THydrogen-bonded Turntrans-62.9-19.5-176.5-65.60000114.2L65 K69 E141 A143L65-V67 HydrophobicContact CD2-CB 4.44Å; L65-V67 HydrophobicContact CD2-CG1 3.56Å; V67-K69 PolarHBondContact O-N 3.42Å; V67-E141 HydrophobicContact CG1-CB 3.95Å; V67-E141 HydrophobicContact CG2-CB 4.38Å; V67-E141 WeakPolarHBondContact CG2-O 3.38Å; V67-A143 HydrophobicContact CB-CB 4.09Å; V67-A143 WeakPolarHBondContact O-CA 3.31Å
68T95.8Very high93.4Very high105 Ų10538.6 Ų38.664%0.64424%0.237SC*.THydrogen-bonded Turntrans-82.4-0.4176.279.30000113.2N66N66-T68 PolarHBondContact O-N 3.29Å; N66-T68 VanDerWaalsContact O-N 3.17Å; N66-T68 PolarHBondContact OD1-N 3.35Å; N66-T68 PolarHBondContact OD1-OG1 2.82Å
69K97.1Very high93.4Very high55 Ų5536.2 Ų36.224%0.23922%0.223CC..SBendtrans-106.5150.2177.7-68.3-176.5171.3-177.80110.1N66 V67 T71 D100N66-K69 HydrophobicContact CB-CD 4.1Å; N66-K69 HydrophobicContact CB-CG 4.19Å; N66-K69 WeakPolarHBondContact O-CB 3.49Å; N66-K69 PolarHBondContact O-N 2.92Å; V67-K69 PolarHBondContact O-N 3.42Å; K69-T71 PolarHBondContact O-N 2.86Å; K69-T71 PolarHBondContact O-OG1 3.03Å; K69-D100 WeakPolarHBondContact CE-OD2 3.34Å; K69-D100 IonicContact NZ-OD1 3.53Å; K69-D100 PolarHBondContact NZ-OD1 3.37Å; K69-D100 IonicContact NZ-OD2 3.3Å; K69-D100 PolarHBondContact NZ-OD2 2.96Å
70K98.3Very high93.8Very high38 Ų3836.3 Ų36.317%0.16522%0.219CC..  trans-46.1131.6165.2-169.7174-176.7171.90110.5E99 M101 N102 D147K70-E99 WeakPolarHBondContact CD-OE2 3.46Å; K70-E99 IonicContact NZ-OE2 3.19Å; K70-M101 HydrophobicContact CB-CB 4.31Å; K70-M101 WeakPolarHBondContact O-CA 3.48Å; K70-M101 VanDerWaalsContact O-CB 3.32Å; K70-M101 WeakPolarHBondContact O-CB 3.36Å; K70-N102 PolarHBondContact O-N 2.94Å; K70-D147 CarbonylContact C-O 3.39Å; K70-D147 WeakPolarHBondContact CA-O 3.18Å; K70-D147 WeakPolarHBondContact CG-O 3.33Å
71T98.6Very high94.1Very high1 Ų133.3 Ų33.31%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-119111.9178.6-59.70000109.5K69 F73 N102 V104 M138 D147 Y149K69-T71 PolarHBondContact O-N 2.86Å; K69-T71 PolarHBondContact O-OG1 3.03Å; T71-F73 HydrophobicContact CG2-CD2 4.19Å; T71-F73 HydrophobicContact CG2-CE2 3.6Å; T71-F73 HydrophobicContact CG2-CZ 3.92Å; T71-N102 WeakPolarHBondContact CA-O 3.42Å; T71-N102 HydrophobicContact CG2-CB 4Å; T71-N102 PolarHBondContact OG1-ND2 2.85Å; T71-V104 HydrophobicContact CG2-CG2 3.92Å; T71-M138 HydrophobicContact CG2-CE 3.8Å; T71-M138 HydrophobicContact CG2-SD 4.48Å; T71-M138 WeakPolarHBondContact OG1-CE 3.35Å; T71-D147 PolarHBondContact N-O 2.8Å; T71-Y149 PolarHBondContact O-N 2.79Å
72T98.8Very high94.3Very high0 Ų031.1 Ų31.10%018%0.177CC..EExtended strand (participates in β ladder)trans-99.3116179.7-56.10000110.4L95 M101 N102 V103 V104 Y149 I151T72-L95 HydrophobicContact CG2-CD1 3.88Å; T72-M101 PolarHBondContact OG1-SD 3.4Å; T72-N102 PolarHBondContact N-O 3.4Å; T72-V103 CarbonylContact O-C 3.52Å; T72-V103 WeakPolarHBondContact O-CA 3.31Å; T72-V104 PolarHBondContact O-N 2.91Å; T72-Y149 CarbonylContact C-O 3.59Å; T72-Y149 WeakPolarHBondContact CA-O 3.38Å; T72-Y149 HydrophobicContact CG2-CD1 3.54Å; T72-Y149 HydrophobicContact CG2-CE1 4.1Å; T72-Y149 HydrophobicContact CG2-CG 4.09Å; T72-Y149 WeakPolarHBondContact OG1-CD1 3.48Å; T72-I151 HydrophobicContact CG2-CD1 3.67Å; T72-I151 HydrophobicContact CG2-CG1 4.07Å
73F98.9Very high94.7Very high0 Ų031.2 Ų31.20%018%0.183CC..EExtended strand (participates in β ladder)trans-88.9130.2173.4-67-95.3000110.4T71 V75 V104 V106 F134 I135 M138 I148 Y149 M150 I151T71-F73 HydrophobicContact CG2-CD2 4.19Å; T71-F73 HydrophobicContact CG2-CE2 3.6Å; T71-F73 HydrophobicContact CG2-CZ 3.92Å; F73-V75 HydrophobicContact CB-CG2 4.48Å; F73-V104 CarbonylContact C-O 3.59Å; F73-V104 VanDerWaalsContact CA-O 3.31Å; F73-V104 WeakPolarHBondContact CA-O 3.46Å; F73-V104 HydrophobicContact CD1-CB 3.76Å; F73-V104 HydrophobicContact CD1-CG1 3.82Å; F73-V104 HydrophobicContact CE1-CB 3.9Å; F73-V104 HydrophobicContact CE1-CG1 3.81Å; F73-V104 HydrophobicContact CE1-CG2 4.29Å; F73-V104 HydrophobicContact CG-CB 4.42Å; F73-V106 HydrophobicContact CB-CG2 4.44Å; F73-V106 HydrophobicContact CD1-CG2 4Å; F73-F134 AromaticContact CE1-CD1 3.85Å; F73-F134 HydrophobicContact CE1-CD1 3.85Å; F73-F134 AromaticContact CE1-CE1 3.97Å; F73-F134 HydrophobicContact CE1-CE1 3.97Å; F73-F134 AromaticContact CZ-CD1 3.91Å; F73-F134 HydrophobicContact CZ-CD1 3.91Å; F73-F134 AromaticContact CZ-CE1 3.97Å; F73-F134 HydrophobicContact CZ-CE1 3.97Å; F73-I135 HydrophobicContact CE2-CD1 4.21Å; F73-I135 HydrophobicContact CE2-CG1 4.08Å; F73-I135 HydrophobicContact CZ-CD1 4.28Å; F73-I135 HydrophobicContact CZ-CG1 3.83Å; F73-M138 HydrophobicContact CZ-SD 3.98Å; F73-I148 HydrophobicContact CD2-CG2 4.18Å; F73-I148 HydrophobicContact CE2-CD1 4.27Å; F73-I148 HydrophobicContact CE2-CG2 4.07Å; F73-Y149 PolarHBondContact N-O 3.21Å; F73-M150 HydrophobicContact CB-CE 4.27Å; F73-M150 HydrophobicContact CB-CG 4.3Å; F73-M150 HydrophobicContact CD2-CG 4.45Å; F73-I151 PolarHBondContact O-N 2.96Å
74I98.9Very high95Very high0 Ų030.6 Ų30.60%017%0.169CC..EExtended strand (participates in β ladder)trans-106.1113.3171-56.3169.9000108.3W87 M88 L91 V92 L95 V103 V104 V105 V106I74-W87 HydrophobicContact CG2-CH2 4.35Å; I74-W87 HydrophobicContact CG2-CZ3 3.96Å; I74-M88 HydrophobicContact CB-SD 4.34Å; I74-M88 HydrophobicContact CD1-SD 4.39Å; I74-M88 HydrophobicContact CG2-CE 3.91Å; I74-M88 HydrophobicContact CG2-SD 3.72Å; I74-L91 HydrophobicContact CD1-CB 4.4Å; I74-L91 HydrophobicContact CD1-CD2 3.98Å; I74-L91 HydrophobicContact CD1-CG 3.88Å; I74-L91 HydrophobicContact CG1-CD2 4.22Å; I74-L91 HydrophobicContact CG2-CD2 3.86Å; I74-V92 HydrophobicContact CD1-CG2 3.76Å; I74-L95 HydrophobicContact CD1-CD1 3.9Å; I74-L95 HydrophobicContact CG1-CD1 4.16Å; I74-V103 HydrophobicContact CD1-CG1 3.62Å; I74-V103 HydrophobicContact CG1-CG1 4.18Å; I74-V104 PolarHBondContact N-O 2.56Å; I74-V105 HydrophobicContact CB-CG2 4.49Å; I74-V105 HydrophobicContact CD1-CG2 4.26Å; I74-V106 PolarHBondContact O-N 3.46Å
75V98.9Very high95.2Very high0 Ų027.2 Ų27.20%015%0.151CC..EExtended strand (participates in β ladder)trans-111.5109.9-176.8-165.50000109.8F73 V106 L131 M150 I151 V153 I159F73-V75 HydrophobicContact CB-CG2 4.48Å; V75-V106 HydrophobicContact CG1-CB 4.39Å; V75-V106 HydrophobicContact CG1-CG1 4.44Å; V75-V106 HydrophobicContact CG2-CB 4.23Å; V75-V106 HydrophobicContact CG2-CG2 3.95Å; V75-L131 HydrophobicContact CG2-CD1 4.29Å; V75-M150 HydrophobicContact CG2-CE 4Å; V75-I151 PolarHBondContact N-O 3.19Å; V75-V153 PolarHBondContact O-N 3.26Å; V75-I159 HydrophobicContact CG1-CB 4.06Å; V75-I159 HydrophobicContact CG1-CD1 4.05Å; V75-I159 HydrophobicContact CG1-CG2 3.91Å
76H98.5Very high95.2Very high1 Ų131.6 Ų31.61%0.00518%0.178CC..  trans-77172.1178.874.179.6000112.6F25 P85 W87 M88 V106 W108 V153 G156F25-H76 AromaticContact CE2-CD2 3.57Å; F25-H76 AromaticContact CE2-NE2 3.96Å; F25-H76 AromaticContact CZ-CD2 3.42Å; F25-H76 VanDerWaalsContact CZ-CD2 3.42Å; F25-H76 WeakPolarHBondContact CZ-CD2 3.19Å; F25-H76 AromaticContact CZ-NE2 3.46Å; F25-H76 WeakPolarHBondContact CZ-NE2 3.42Å; H76-P85 HydrophobicContact CB-CG 4.22Å; H76-W87 HydrophobicContact CB-CH2 4.4Å; H76-M88 HydrophobicContact CB-CE 4.22Å; H76-V106 PolarHBondContact CD2-O 3.33Å; H76-W108 AromaticContact CD2-CD1 3.73Å; H76-W108 AromaticContact CD2-NE1 3.89Å; H76-W108 AromaticContact CE1-CD1 3.44Å; H76-W108 VanDerWaalsContact CE1-CD1 3.44Å; H76-W108 AromaticContact CE1-CE2 3.78Å; H76-W108 AromaticContact CE1-CG 3.92Å; H76-W108 AromaticContact CE1-NE1 3.34Å; H76-W108 PolarHBondContact CE1-NE1 3.22Å; H76-W108 VanDerWaalsContact CE1-NE1 3.34Å; H76-W108 AromaticContact CG-NE1 3.85Å; H76-W108 AromaticContact ND1-CD1 4Å; H76-W108 AromaticContact ND1-NE1 3.5Å; H76-W108 AromaticContact NE2-CD1 3.27Å; H76-W108 VanDerWaalsContact NE2-CD1 3.27Å; H76-W108 AromaticContact NE2-CG 3.88Å; H76-W108 PolarHBondContact NE2-N 3.41Å; H76-W108 AromaticContact NE2-NE1 3.61Å; H76-W108 PolarHBondContact O-NE1 2.6Å; H76-V153 CarbonylContact C-O 3.53Å; H76-G156 WeakPolarHBondContact O-CA 3.42Å
77G97.2Very high95.1Very high7 Ų729.1 Ų29.17%0.07216%0.164CC..  trans-105.5-155.9-17900000116R79 A112 V153G77-R79 WeakPolarHBondContact O-CG 3.2Å; G77-A112 WeakPolarHBondContact O-CB 3.35Å; G77-V153 VanDerWaalsContact CA-O 3.29Å; G77-V153 WeakPolarHBondContact CA-O 3.25Å; G77-V153 PolarHBondContact N-O 3.09Å
78F96.4Very high95.1Very high45 Ų4528.6 Ų28.620%0.19716%0.16CC..  trans-61.8137.3179.2178.9-126000113.9I80 A112 T114 Y117 A120 L155F78-I80 HydrophobicContact CD1-CG1 4.16Å; F78-I80 HydrophobicContact CE1-CD1 3.85Å; F78-I80 HydrophobicContact CE1-CG1 3.37Å; F78-I80 HydrophobicContact CZ-CG1 3.69Å; F78-A112 VanDerWaalsContact CD2-O 3.31Å; F78-A112 WeakPolarHBondContact CD2-O 3.48Å; F78-T114 HydrophobicContact CE2-CG2 3.75Å; F78-T114 WeakPolarHBondContact CE2-O 3.46Å; F78-T114 WeakPolarHBondContact CZ-O 3.48Å; F78-Y117 HydrophobicContact CB-CD2 4.38Å; F78-Y117 HydrophobicContact CB-CE2 4.3Å; F78-Y117 AromaticContact CD1-CD2 3.78Å; F78-Y117 HydrophobicContact CD1-CD2 3.78Å; F78-Y117 HydrophobicContact CD1-CE2 4.35Å; F78-Y117 HydrophobicContact CD2-CD2 4.25Å; F78-Y117 HydrophobicContact CE1-CD2 4.04Å; F78-Y117 AromaticContact CG-CD2 3.88Å; F78-Y117 HydrophobicContact CG-CD2 3.88Å; F78-Y117 HydrophobicContact CG-CE2 4.29Å; F78-Y117 HydrophobicContact CZ-CD2 4.4Å; F78-A120 HydrophobicContact CD2-CB 3.57Å; F78-A120 HydrophobicContact CE2-CB 3.96Å; F78-L155 HydrophobicContact CB-CD1 3.81Å; F78-L155 HydrophobicContact CB-CG 4.35Å
79R92.4Very high95.1Very high21 Ų2128.8 Ų28.88%0.07915%0.154CC..  trans-132.886.5-170.4-60.8-53-57.7-101.313.7114.6G77 T81 G82 S83 P84 N109 A112 T113G77-R79 WeakPolarHBondContact O-CG 3.2Å; R79-T81 VanDerWaalsContact C-N 3.3Å; R79-T81 PolarHBondContact O-N 3.33Å; R79-G82 PolarHBondContact O-N 3.19Å; R79-S83 PolarHBondContact NH1-O 3.18Å; R79-S83 VanDerWaalsContact NH2-C 3.28Å; R79-S83 PolarHBondContact NH2-O 3.25Å; R79-S83 PolarHBondContact NH2-OG 3.4Å; R79-P84 VanDerWaalsContact NH1-C 3.3Å; R79-P84 PolarHBondContact NH2-O 3.29Å; R79-N109 WeakPolarHBondContact CB-OD1 3.46Å; R79-N109 VanDerWaalsContact CG-OD1 3.27Å; R79-N109 WeakPolarHBondContact CG-OD1 3.45Å; R79-A112 HydrophobicContact CB-CB 4.23Å; R79-A112 HydrophobicContact CG-CB 4.01Å; R79-A112 PolarHBondContact N-O 2.99Å; R79-T113 WeakPolarHBondContact O-CA 3.3Å
80I88.8Confident95.1Very high54 Ų5429.5 Ų29.528%0.27716%0.16SC..THydrogen-bonded Turntrans-55.7-40.6177.9-62.6173.2000113.6F30 A33 F78 L115 F241F30-I80 HydrophobicContact CE2-CG2 4.45Å; A33-I80 WeakPolarHBondContact CB-O 3.39Å; F78-I80 HydrophobicContact CD1-CG1 4.16Å; F78-I80 HydrophobicContact CE1-CD1 3.85Å; F78-I80 HydrophobicContact CE1-CG1 3.37Å; F78-I80 HydrophobicContact CZ-CG1 3.69Å; I80-L115 HydrophobicContact CG2-CD2 3.85Å; I80-F241 HydrophobicContact CB-CZ 4.37Å; I80-F241 HydrophobicContact CD1-CE2 4.04Å; I80-F241 HydrophobicContact CD1-CZ 4.49Å
81T86.9Confident95Very high46 Ų4627.7 Ų27.728%0.28215%0.152SC..THydrogen-bonded Turntrans-92-13.4-174.857.60000114.2R79 S83 F241R79-T81 VanDerWaalsContact C-N 3.3Å; R79-T81 PolarHBondContact O-N 3.33Å; T81-S83 PolarHBondContact O-N 2.85Å; T81-S83 VanDerWaalsContact O-N 3.12Å; T81-S83 PolarHBondContact OG1-N 3.11Å; T81-S83 PolarHBondContact OG1-OG 2.9Å; T81-F241 HydrophobicContact CG2-CE1 4.18Å; T81-F241 HydrophobicContact CG2-CZ 4.26Å
82G90.4Very high95Very high0 Ų027.8 Ų27.80%015%0.153CC..  trans63.39.3-17200000116.1L28 R79 N109 T113L28-G82 PolarHBondContact N-O 2.89Å; R79-G82 PolarHBondContact O-N 3.19Å; G82-N109 PolarHBondContact O-ND2 3.43Å; G82-T113 WeakPolarHBondContact CA-OG1 3.34Å
83S92Very high94.9Very high41 Ų4131.5 Ų31.529%0.28717%0.169SC..PPolyproline II helixtrans-65.4163.2171.557.90000111.1R79 T81R79-S83 PolarHBondContact NH1-O 3.18Å; R79-S83 VanDerWaalsContact NH2-C 3.28Å; R79-S83 PolarHBondContact NH2-O 3.25Å; R79-S83 PolarHBondContact NH2-OG 3.4Å; T81-S83 PolarHBondContact O-N 2.85Å; T81-S83 VanDerWaalsContact O-N 3.12Å; T81-S83 PolarHBondContact OG1-N 3.11Å; T81-S83 PolarHBondContact OG1-OG 2.9Å
84P92.5Very high94.7Very high43 Ų4331.9 Ų31.928%0.27917%0.174SC..PPolyproline II helixtrans-67.8153.2164.5-22.634.7000112.1F25 R79F25-P84 HydrophobicContact CB-CB 4.24Å; F25-P84 HydrophobicContact CB-CG 4.41Å; F25-P84 HydrophobicContact CD1-CB 3.68Å; F25-P84 HydrophobicContact CD1-CG 3.9Å; F25-P84 HydrophobicContact CE1-CB 4.32Å; F25-P84 HydrophobicContact CG-CB 4.09Å; R79-P84 VanDerWaalsContact NH1-C 3.3Å; R79-P84 PolarHBondContact NH2-O 3.29Å
85P93.6Very high94.7Very high11 Ų1131.9 Ų31.97%0.07117%0.174CC..PPolyproline II helixtrans-69.7132173.6-822.7000109.4F25 H76 W87 M88F25-P85 HydrophobicContact CE2-CG 4.47Å; F25-P85 HydrophobicContact CZ-CG 4.31Å; H76-P85 HydrophobicContact CB-CG 4.22Å; P85-W87 HydrophobicContact CB-CD2 3.9Å; P85-W87 HydrophobicContact CB-CE3 4.41Å; P85-W87 HydrophobicContact CB-CG 4.43Å; P85-W87 HydrophobicContact CB-CH2 4.16Å; P85-W87 HydrophobicContact CB-CZ2 3.66Å; P85-W87 HydrophobicContact CG-CH2 4.3Å; P85-W87 HydrophobicContact CG-CZ2 4.12Å; P85-W87 PolarHBondContact O-N 3.28Å; P85-M88 HydrophobicContact CB-CB 4.2Å; P85-M88 HydrophobicContact CG-CB 4.23Å; P85-M88 HydrophobicContact CG-CE 3.71Å; P85-M88 WeakPolarHBondContact O-CB 3.37Å; P85-M88 PolarHBondContact O-N 2.8Å
86V93.6Very high94.6Very high108 Ų10832.1 Ų32.166%0.65518%0.175SC*.THydrogen-bonded Turntrans-64.8-27-176.2-63.70000113.3
87W94.8Very high94.4Very high11 Ų1135.9 Ų35.94%0.04220%0.201CC..THydrogen-bonded Turntrans-86.6-7.8-179.550.7-112.4000114.1I74 H76 P85 E89 D90 L91 V153 V252 Y253 L256I74-W87 HydrophobicContact CG2-CH2 4.35Å; I74-W87 HydrophobicContact CG2-CZ3 3.96Å; H76-W87 HydrophobicContact CB-CH2 4.4Å; P85-W87 HydrophobicContact CB-CD2 3.9Å; P85-W87 HydrophobicContact CB-CE3 4.41Å; P85-W87 HydrophobicContact CB-CG 4.43Å; P85-W87 HydrophobicContact CB-CH2 4.16Å; P85-W87 HydrophobicContact CB-CZ2 3.66Å; P85-W87 HydrophobicContact CG-CH2 4.3Å; P85-W87 HydrophobicContact CG-CZ2 4.12Å; P85-W87 PolarHBondContact O-N 3.28Å; W87-E89 PolarHBondContact O-N 2.96Å; W87-D90 PolarHBondContact O-N 3.23Å; W87-L91 HydrophobicContact CE3-CB 4.31Å; W87-L91 HydrophobicContact CE3-CD2 4.1Å; W87-L91 HydrophobicContact CZ3-CD2 3.86Å; W87-L91 PolarHBondContact O-N 3.38Å; W87-V153 HydrophobicContact CH2-CB 4.32Å; W87-V153 HydrophobicContact CH2-CG2 3.61Å; W87-V153 HydrophobicContact CZ2-CB 4.17Å; W87-V153 HydrophobicContact CZ2-CG1 4.12Å; W87-V153 HydrophobicContact CZ2-CG2 3.78Å; W87-V153 HydrophobicContact CZ3-CG2 4.4Å; W87-V252 HydrophobicContact CB-CG1 3.94Å; W87-V252 HydrophobicContact CD2-CB 4.48Å; W87-V252 HydrophobicContact CD2-CG1 3.59Å; W87-V252 HydrophobicContact CD2-CG2 4.45Å; W87-V252 HydrophobicContact CE3-CG1 3.81Å; W87-V252 HydrophobicContact CG-CB 4.37Å; W87-V252 HydrophobicContact CG-CG1 3.62Å; W87-V252 HydrophobicContact CZ2-CG2 4.41Å; W87-Y253 HydrophobicContact CB-CE1 4.21Å; W87-L256 HydrophobicContact CB-CD1 4.16Å
88M95.8Very high94.2Very high13 Ų1338.1 Ų38.16%0.06421%0.213CC..Hα-helixtrans-61.3-46.8-168.8-178.563.26800112.1F25 I74 H76 P85 L91 V92 V105F25-M88 HydrophobicContact CE2-CE 4.21Å; I74-M88 HydrophobicContact CB-SD 4.34Å; I74-M88 HydrophobicContact CD1-SD 4.39Å; I74-M88 HydrophobicContact CG2-CE 3.91Å; I74-M88 HydrophobicContact CG2-SD 3.72Å; H76-M88 HydrophobicContact CB-CE 4.22Å; P85-M88 HydrophobicContact CB-CB 4.2Å; P85-M88 HydrophobicContact CG-CB 4.23Å; P85-M88 HydrophobicContact CG-CE 3.71Å; P85-M88 WeakPolarHBondContact O-CB 3.37Å; P85-M88 PolarHBondContact O-N 2.8Å; M88-L91 PolarHBondContact O-N 3.22Å; M88-V92 WeakPolarHBondContact O-CG2 3.25Å; M88-V92 PolarHBondContact O-N 2.99Å; M88-V105 HydrophobicContact CE-CG1 3.91Å; M88-V105 HydrophobicContact CG-CG1 4.25Å; M88-V105 HydrophobicContact CG-CG2 4.33Å; M88-V105 HydrophobicContact SD-CB 4.25Å; M88-V105 HydrophobicContact SD-CG1 3.59Å; M88-V105 VanDerWaalsContact SD-CG1 3.59Å; M88-V105 HydrophobicContact SD-CG2 3.62Å
89E95.3Very high94.1Very high109 Ų10939.3 Ų39.351%0.50922%0.22SC..Hα-helixtrans-65.4-42-179.3-174.2178.7167.800111.9W87 L91 V92 K93W87-E89 PolarHBondContact O-N 2.96Å; E89-L91 VanDerWaalsContact C-N 3.28Å; E89-L91 PolarHBondContact O-N 2.83Å; E89-V92 PolarHBondContact O-N 3.07Å; E89-K93 HydrophobicContact CG-CD 4.22Å; E89-K93 WeakPolarHBondContact O-CB 3.44Å; E89-K93 WeakPolarHBondContact O-CG 3.36Å; E89-K93 PolarHBondContact O-N 2.93Å; E89-K93 WeakPolarHBondContact OE1-CE 3.43Å; E89-K93 IonicContact OE1-NZ 2.66Å; E89-K93 PolarHBondContact OE1-NZ 3.23Å
90D96.1Very high94.2Very high70 Ų7041.5 Ų41.537%0.37423%0.233SC..Hα-helixtrans-63.1-35.9176.7-72.5-31000112W87 G94 L256W87-D90 PolarHBondContact O-N 3.23Å; D90-G94 PolarHBondContact O-N 3.3Å; D90-L256 HydrophobicContact CB-CD1 4.23Å; D90-L256 HydrophobicContact CB-CD2 4.15Å
91L97Very high94.6Very high0 Ų039 Ų390%022%0.22CC..Hα-helixtrans-71.4-43.7178.6-175.458.7000111.7I74 W87 M88 E89 G94 L95 I151 Y255 L256 L259I74-L91 HydrophobicContact CD1-CB 4.4Å; I74-L91 HydrophobicContact CD1-CD2 3.98Å; I74-L91 HydrophobicContact CD1-CG 3.88Å; I74-L91 HydrophobicContact CG1-CD2 4.22Å; I74-L91 HydrophobicContact CG2-CD2 3.86Å; W87-L91 HydrophobicContact CE3-CB 4.31Å; W87-L91 HydrophobicContact CE3-CD2 4.1Å; W87-L91 HydrophobicContact CZ3-CD2 3.86Å; W87-L91 PolarHBondContact O-N 3.38Å; M88-L91 PolarHBondContact O-N 3.22Å; E89-L91 VanDerWaalsContact C-N 3.28Å; E89-L91 PolarHBondContact O-N 2.83Å; L91-G94 PolarHBondContact O-N 3.19Å; L91-L95 HydrophobicContact CD1-CD1 4.23Å; L91-L95 HydrophobicContact CD1-CG 4.29Å; L91-L95 HydrophobicContact CG-CD1 4.16Å; L91-L95 WeakPolarHBondContact O-CG 3.12Å; L91-L95 PolarHBondContact O-N 3.27Å; L91-I151 HydrophobicContact CD2-CG2 4.49Å; L91-Y255 HydrophobicContact CD1-CD1 3.77Å; L91-Y255 HydrophobicContact CD1-CE1 3.88Å; L91-L256 VanDerWaalsContact CA-CD2 3.44Å; L91-L256 HydrophobicContact CB-CD2 3.9Å; L91-L256 HydrophobicContact CD1-CD2 3.87Å; L91-L256 HydrophobicContact CD1-CG 4.4Å; L91-L259 HydrophobicContact CD1-CD1 3.97Å
92V97.4Very high95.2Very high3 Ų336.9 Ų36.92%0.01821%0.207CC..Hα-helixtrans-57.7-50.9173.6170.60000110.7Y46 I74 M88 E89 G94 L95 L96 V103 V105Y46-V92 HydrophobicContact CD1-CG1 3.94Å; Y46-V92 HydrophobicContact CD2-CG1 3.98Å; Y46-V92 HydrophobicContact CD2-CG2 4.24Å; Y46-V92 HydrophobicContact CE2-CG2 4.44Å; Y46-V92 HydrophobicContact CG-CG1 3.57Å; I74-V92 HydrophobicContact CD1-CG2 3.76Å; M88-V92 WeakPolarHBondContact O-CG2 3.25Å; M88-V92 PolarHBondContact O-N 2.99Å; E89-V92 PolarHBondContact O-N 3.07Å; V92-G94 PolarHBondContact O-N 3.33Å; V92-L95 PolarHBondContact O-N 2.65Å; V92-L96 HydrophobicContact CG1-CD1 3.88Å; V92-L96 WeakPolarHBondContact O-CG 3.4Å; V92-L96 PolarHBondContact O-N 3.19Å; V92-L96 VanDerWaalsContact O-N 3.08Å; V92-V103 HydrophobicContact CB-CG1 4.41Å; V92-V103 HydrophobicContact CG1-CG1 4.29Å; V92-V103 HydrophobicContact CG2-CG1 3.97Å; V92-V105 HydrophobicContact CG2-CG2 3.56Å
93K96.7Very high95.6Very high78 Ų7836.9 Ų36.934%0.33921%0.207SC..Hα-helixtrans-63.1-42.6179.1-72.1176.9-176.2171.80112E89 L96 S97E89-K93 HydrophobicContact CG-CD 4.22Å; E89-K93 WeakPolarHBondContact O-CB 3.44Å; E89-K93 WeakPolarHBondContact O-CG 3.36Å; E89-K93 PolarHBondContact O-N 2.93Å; E89-K93 WeakPolarHBondContact OE1-CE 3.43Å; E89-K93 IonicContact OE1-NZ 2.66Å; E89-K93 PolarHBondContact OE1-NZ 3.23Å; K93-L96 PolarHBondContact O-N 2.93Å; K93-S97 WeakPolarHBondContact O-CB 3.22Å; K93-S97 PolarHBondContact O-N 3.08Å
94G96.4Very high95.9Very high9 Ų934.9 Ų34.99%0.09319%0.193CC..Hα-helixtrans-58.5-48.7177.800000112D90 L91 V92 S97 V98D90-G94 PolarHBondContact O-N 3.3Å; L91-G94 PolarHBondContact O-N 3.19Å; V92-G94 PolarHBondContact O-N 3.33Å; G94-S97 WeakPolarHBondContact O-CB 3.45Å; G94-S97 PolarHBondContact O-N 3.41Å; G94-S97 PolarHBondContact O-OG 2.97Å; G94-V98 PolarHBondContact O-N 2.78Å
95L97.3Very high96.2Very high0 Ų032.9 Ų32.90%018%0.18CC..Hα-helixtrans-63.6-44.3178.6-71.9166.8000112.3T72 I74 L91 V92 S97 V98 E99 M101 V103 I151 Y255 L259 Y297T72-L95 HydrophobicContact CG2-CD1 3.88Å; I74-L95 HydrophobicContact CD1-CD1 3.9Å; I74-L95 HydrophobicContact CG1-CD1 4.16Å; L91-L95 HydrophobicContact CD1-CD1 4.23Å; L91-L95 HydrophobicContact CD1-CG 4.29Å; L91-L95 HydrophobicContact CG-CD1 4.16Å; L91-L95 WeakPolarHBondContact O-CG 3.12Å; L91-L95 PolarHBondContact O-N 3.27Å; V92-L95 PolarHBondContact O-N 2.65Å; L95-S97 PolarHBondContact O-N 3.44Å; L95-V98 WeakPolarHBondContact O-CG2 3.31Å; L95-V98 PolarHBondContact O-N 2.85Å; L95-E99 PolarHBondContact O-N 2.89Å; L95-M101 HydrophobicContact CB-CE 4.44Å; L95-M101 HydrophobicContact CB-SD 3.95Å; L95-M101 HydrophobicContact CD2-SD 4.5Å; L95-M101 WeakPolarHBondContact O-CE 3.38Å; L95-V103 HydrophobicContact CB-CG2 3.97Å; L95-V103 HydrophobicContact CD1-CG1 4.39Å; L95-V103 HydrophobicContact CD1-CG2 4.4Å; L95-I151 HydrophobicContact CD1-CD1 3.85Å; L95-I151 HydrophobicContact CD2-CD1 4.02Å; L95-Y255 HydrophobicContact CD2-CE1 4.36Å; L95-L259 HydrophobicContact CD2-CD1 4.4Å; L95-L259 HydrophobicContact CD2-CD2 4.11Å; L95-L259 HydrophobicContact CG-CD1 4.33Å; L95-Y297 HydrophobicContact CD2-CD2 3.99Å; L95-Y297 HydrophobicContact CD2-CE2 3.92Å
96L96.8Very high96.4Very high4 Ų432.4 Ų32.42%0.02118%0.177CC..Hα-helixtrans-68.5-21.2177.7-68171.2000112.8R48 L51 V92 K93 M101 V103R48-L96 HydrophobicContact CG-CB 4.36Å; R48-L96 HydrophobicContact CG-CD2 4.35Å; R48-L96 PolarHBondContact NE-O 3.29Å; R48-L96 PolarHBondContact NH2-O 2.89Å; L51-L96 HydrophobicContact CD2-CB 3.87Å; L51-L96 HydrophobicContact CD2-CD1 3.71Å; L51-L96 HydrophobicContact CD2-CG 4.42Å; V92-L96 HydrophobicContact CG1-CD1 3.88Å; V92-L96 WeakPolarHBondContact O-CG 3.4Å; V92-L96 PolarHBondContact O-N 3.19Å; V92-L96 VanDerWaalsContact O-N 3.08Å; K93-L96 PolarHBondContact O-N 2.93Å; L96-M101 HydrophobicContact CD2-CG 4.1Å; L96-M101 VanDerWaalsContact CD2-O 3.31Å; L96-M101 WeakPolarHBondContact CD2-O 3.46Å; L96-V103 HydrophobicContact CD1-CG2 4.42Å; L96-V103 HydrophobicContact CD2-CB 4.48Å; L96-V103 HydrophobicContact CD2-CG2 3.72Å; L96-V103 HydrophobicContact CG-CB 4.48Å; L96-V103 HydrophobicContact CG-CG2 3.76Å
97S95.3Very high96.7Very high81 Ų8127.3 Ų27.357%0.56615%0.146SC*.Hα-helixtrans-75.2-32.3175.579.20000113K93 G94 L95K93-S97 WeakPolarHBondContact O-CB 3.22Å; K93-S97 PolarHBondContact O-N 3.08Å; G94-S97 WeakPolarHBondContact O-CB 3.45Å; G94-S97 PolarHBondContact O-N 3.41Å; G94-S97 PolarHBondContact O-OG 2.97Å; L95-S97 PolarHBondContact O-N 3.44Å
98V93.4Very high96.8Very high54 Ų5426.8 Ų26.833%0.32714%0.144SC..Hα-helixtrans-84.5-36.1-176-63.50000113.1G94 L95 M101 L259 Y297G94-V98 PolarHBondContact O-N 2.78Å; L95-V98 WeakPolarHBondContact O-CG2 3.31Å; L95-V98 PolarHBondContact O-N 2.85Å; V98-M101 HydrophobicContact CG2-CE 4.32Å; V98-L259 HydrophobicContact CG1-CB 4.25Å; V98-L259 HydrophobicContact CG1-CD2 3.95Å; V98-L259 WeakPolarHBondContact CG1-O 3.5Å; V98-L259 HydrophobicContact CG2-CD2 3.93Å; V98-Y297 HydrophobicContact CB-CE1 4.26Å; V98-Y297 HydrophobicContact CG2-CD1 4.36Å; V98-Y297 HydrophobicContact CG2-CD2 4.44Å; V98-Y297 HydrophobicContact CG2-CE1 3.81Å; V98-Y297 HydrophobicContact CG2-CE2 3.91Å
99E93Very high96.9Very high70 Ų7026.1 Ų26.133%0.32714%0.141SC..SBendtrans-149.1153.2-177.1174.1-176.3-16800110.8R48 K70 L95 M101 Y297R48-E99 VanDerWaalsContact CZ-C 3.47Å; R48-E99 PolarHBondContact NE-O 2.83Å; R48-E99 VanDerWaalsContact NH2-CA 3.35Å; R48-E99 PolarHBondContact NH2-O 3.3Å; K70-E99 WeakPolarHBondContact CD-OE2 3.46Å; K70-E99 IonicContact NZ-OE2 3.19Å; L95-E99 PolarHBondContact O-N 2.89Å; E99-M101 HydrophobicContact CB-CE 3.61Å; E99-M101 HydrophobicContact CG-CE 4.15Å; E99-M101 PolarHBondContact O-N 3.05Å; E99-Y297 PolarHBondContact OE2-OH 3.49Å
100D96Very high97Very high67 Ų6725.9 Ų25.936%0.35814%0.135SC..  trans-82.591.9174.8-173.811.3000110.3K69K69-D100 WeakPolarHBondContact CE-OD2 3.34Å; K69-D100 IonicContact NZ-OD1 3.53Å; K69-D100 PolarHBondContact NZ-OD1 3.37Å; K69-D100 IonicContact NZ-OD2 3.3Å; K69-D100 PolarHBondContact NZ-OD2 2.96Å
101M97.4Very high97.1Very high0 Ų023 Ų230%012%0.122CC..  trans-127168.9-174.567.6178.874.300112K70 T72 L95 L96 V98 E99 V103 Y297K70-M101 HydrophobicContact CB-CB 4.31Å; K70-M101 WeakPolarHBondContact O-CA 3.48Å; K70-M101 VanDerWaalsContact O-CB 3.32Å; K70-M101 WeakPolarHBondContact O-CB 3.36Å; T72-M101 PolarHBondContact OG1-SD 3.4Å; L95-M101 HydrophobicContact CB-CE 4.44Å; L95-M101 HydrophobicContact CB-SD 3.95Å; L95-M101 HydrophobicContact CD2-SD 4.5Å; L95-M101 WeakPolarHBondContact O-CE 3.38Å; L96-M101 HydrophobicContact CD2-CG 4.1Å; L96-M101 VanDerWaalsContact CD2-O 3.31Å; L96-M101 WeakPolarHBondContact CD2-O 3.46Å; V98-M101 HydrophobicContact CG2-CE 4.32Å; E99-M101 HydrophobicContact CB-CE 3.61Å; E99-M101 HydrophobicContact CG-CE 4.15Å; E99-M101 PolarHBondContact O-N 3.05Å; M101-V103 HydrophobicContact CG-CG2 3.82Å; M101-V103 HydrophobicContact SD-CG2 3.88Å; M101-Y297 HydrophobicContact CE-CE2 4.36Å
102N98.3Very high97.1Very high2 Ų223 Ų231%0.01112%0.122CC..EExtended strand (participates in β ladder)trans-84.1132.2160.2-51.2-57.6000108.4L45 L65 N66 K70 T71 T72L45-N102 HydrophobicContact CD1-CB 3.94Å; L65-N102 HydrophobicContact CG-CB 4.44Å; N66-N102 PolarHBondContact N-OD1 3.12Å; N66-N102 VanDerWaalsContact N-OD1 3.15Å; N66-N102 PolarHBondContact O-ND2 3.37Å; K70-N102 PolarHBondContact O-N 2.94Å; T71-N102 WeakPolarHBondContact CA-O 3.42Å; T71-N102 HydrophobicContact CG2-CB 4Å; T71-N102 PolarHBondContact OG1-ND2 2.85Å; T72-N102 PolarHBondContact N-O 3.4Å
103V98.5Very high97Very high0 Ų022.9 Ų22.90%012%0.121CC..EExtended strand (participates in β ladder)trans-114.3118169.9178.50000108.9L45 Y46 T72 I74 V92 L95 L96 M101L45-V103 CarbonylContact C-O 3.06Å; Y46-V103 PolarHBondContact N-O 2.84Å; Y46-V103 PolarHBondContact O-N 2.85Å; T72-V103 CarbonylContact O-C 3.52Å; T72-V103 WeakPolarHBondContact O-CA 3.31Å; I74-V103 HydrophobicContact CD1-CG1 3.62Å; I74-V103 HydrophobicContact CG1-CG1 4.18Å; V92-V103 HydrophobicContact CB-CG1 4.41Å; V92-V103 HydrophobicContact CG1-CG1 4.29Å; V92-V103 HydrophobicContact CG2-CG1 3.97Å; L95-V103 HydrophobicContact CB-CG2 3.97Å; L95-V103 HydrophobicContact CD1-CG1 4.39Å; L95-V103 HydrophobicContact CD1-CG2 4.4Å; L96-V103 HydrophobicContact CD1-CG2 4.42Å; L96-V103 HydrophobicContact CD2-CB 4.48Å; L96-V103 HydrophobicContact CD2-CG2 3.72Å; L96-V103 HydrophobicContact CG-CB 4.48Å; L96-V103 HydrophobicContact CG-CG2 3.76Å; M101-V103 HydrophobicContact CG-CG2 3.82Å; M101-V103 HydrophobicContact SD-CG2 3.88Å
104V98.6Very high96.9Very high0 Ų019.7 Ų19.70%011%0.108CC..EExtended strand (participates in β ladder)trans-111.5108.3-178.8-178.30000109.3L43 L45 L65 T71 T72 F73 I74L43-V104 HydrophobicContact CB-CG1 3.87Å; L43-V104 HydrophobicContact CD2-CG1 4.27Å; L45-V104 HydrophobicContact CD1-CG2 4.01Å; L65-V104 HydrophobicContact CD1-CG2 4.42Å; T71-V104 HydrophobicContact CG2-CG2 3.92Å; T72-V104 PolarHBondContact O-N 2.91Å; F73-V104 CarbonylContact C-O 3.59Å; F73-V104 VanDerWaalsContact CA-O 3.31Å; F73-V104 WeakPolarHBondContact CA-O 3.46Å; F73-V104 HydrophobicContact CD1-CB 3.76Å; F73-V104 HydrophobicContact CD1-CG1 3.82Å; F73-V104 HydrophobicContact CE1-CB 3.9Å; F73-V104 HydrophobicContact CE1-CG1 3.81Å; F73-V104 HydrophobicContact CE1-CG2 4.29Å; F73-V104 HydrophobicContact CG-CB 4.42Å; I74-V104 PolarHBondContact N-O 2.56Å
105V98.6Very high96.8Very high1 Ų123.3 Ų23.31%0.00613%0.125CC..EExtended strand (participates in β ladder)trans-79.8121.9172.3174.40000108.9F25 L44 Y46 I74 M88 V92 D107F25-V105 HydrophobicContact CD2-CG1 4.02Å; F25-V105 HydrophobicContact CE2-CG1 4.19Å; L44-V105 HydrophobicContact CB-CB 4.18Å; L44-V105 PolarHBondContact N-O 3.23Å; L44-V105 PolarHBondContact O-N 2.76Å; Y46-V105 HydrophobicContact CD2-CG2 4.08Å; Y46-V105 HydrophobicContact CE2-CB 4.27Å; Y46-V105 HydrophobicContact CE2-CG2 3.79Å; I74-V105 HydrophobicContact CB-CG2 4.49Å; I74-V105 HydrophobicContact CD1-CG2 4.26Å; M88-V105 HydrophobicContact CE-CG1 3.91Å; M88-V105 HydrophobicContact CG-CG1 4.25Å; M88-V105 HydrophobicContact CG-CG2 4.33Å; M88-V105 HydrophobicContact SD-CB 4.25Å; M88-V105 HydrophobicContact SD-CG1 3.59Å; M88-V105 VanDerWaalsContact SD-CG1 3.59Å; M88-V105 HydrophobicContact SD-CG2 3.62Å; V92-V105 HydrophobicContact CG2-CG2 3.56Å; V105-D107 PolarHBondContact O-N 2.93Å
106V98.8Very high96.6Very high0 Ų027.1 Ų27.10%015%0.145CC..EExtended strand (participates in β ladder)trans-89.695.3177.1-1770000109V41 L43 F73 I74 V75 H76 W108 V127 L131V41-V106 HydrophobicContact CG1-CG1 3.84Å; L43-V106 HydrophobicContact CD2-CB 4.47Å; L43-V106 HydrophobicContact CD2-CG1 4.28Å; L43-V106 HydrophobicContact CD2-CG2 4.06Å; F73-V106 HydrophobicContact CB-CG2 4.44Å; F73-V106 HydrophobicContact CD1-CG2 4Å; I74-V106 PolarHBondContact O-N 3.46Å; V75-V106 HydrophobicContact CG1-CB 4.39Å; V75-V106 HydrophobicContact CG1-CG1 4.44Å; V75-V106 HydrophobicContact CG2-CB 4.23Å; V75-V106 HydrophobicContact CG2-CG2 3.95Å; H76-V106 PolarHBondContact CD2-O 3.33Å; V106-W108 PolarHBondContact O-N 3.05Å; V106-V127 HydrophobicContact CG1-CG1 4.18Å; V106-L131 HydrophobicContact CB-CD2 4.37Å; V106-L131 HydrophobicContact CG1-CD1 4.24Å; V106-L131 HydrophobicContact CG1-CD2 3.8Å; V106-L131 HydrophobicContact CG1-CG 4.4Å; V106-L131 HydrophobicContact CG2-CD1 4.18Å; V106-L131 HydrophobicContact CG2-CD2 3.6Å
107D98.6Very high96.5Very high1 Ų129.3 Ų29.31%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-87.894176.4173.516.4000110.1F25 T26 V41 R42 L44 V105 N109F25-D107 HydrophobicContact CD2-CB 4.09Å; F25-D107 HydrophobicContact CE2-CB 4.04Å; T26-D107 WeakPolarHBondContact CA-OD2 3.38Å; T26-D107 WeakPolarHBondContact CB-OD2 3.11Å; T26-D107 PolarHBondContact N-OD2 2.67Å; T26-D107 PolarHBondContact OG1-OD2 3.15Å; V41-D107 WeakPolarHBondContact CA-O 3.4Å; R42-D107 HydrophobicContact CB-CB 4.22Å; R42-D107 PolarHBondContact N-O 2.01Å; R42-D107 IonicContact NH1-OD2 2.7Å; R42-D107 PolarHBondContact O-N 2.85Å; L44-D107 HydrophobicContact CD1-CB 4.18Å; V105-D107 PolarHBondContact O-N 2.93Å; D107-N109 WeakPolarHBondContact OD1-CB 3.36Å; D107-N109 PolarHBondContact OD1-N 2.85Å; D107-N109 VanDerWaalsContact OD1-N 3.11Å
108W98.5Very high96.5Very high0 Ų028.8 Ų28.80%015%0.147CC..  trans-106.928.317270.1-75.3000111V41 H76 V106 R110 G111 A112 V127 L155 I159V41-W108 HydrophobicContact CG2-CB 4.03Å; H76-W108 AromaticContact CD2-CD1 3.73Å; H76-W108 AromaticContact CD2-NE1 3.89Å; H76-W108 AromaticContact CE1-CD1 3.44Å; H76-W108 VanDerWaalsContact CE1-CD1 3.44Å; H76-W108 AromaticContact CE1-CE2 3.78Å; H76-W108 AromaticContact CE1-CG 3.92Å; H76-W108 AromaticContact CE1-NE1 3.34Å; H76-W108 PolarHBondContact CE1-NE1 3.22Å; H76-W108 VanDerWaalsContact CE1-NE1 3.34Å; H76-W108 AromaticContact CG-NE1 3.85Å; H76-W108 AromaticContact ND1-CD1 4Å; H76-W108 AromaticContact ND1-NE1 3.5Å; H76-W108 AromaticContact NE2-CD1 3.27Å; H76-W108 VanDerWaalsContact NE2-CD1 3.27Å; H76-W108 AromaticContact NE2-CG 3.88Å; H76-W108 PolarHBondContact NE2-N 3.41Å; H76-W108 AromaticContact NE2-NE1 3.61Å; H76-W108 PolarHBondContact O-NE1 2.6Å; V106-W108 PolarHBondContact O-N 3.05Å; W108-R110 PolarHBondContact O-N 3.15Å; W108-R110 VanDerWaalsContact O-N 3.08Å; W108-G111 WeakPolarHBondContact O-CA 3.49Å; W108-G111 PolarHBondContact O-N 3.31Å; W108-A112 HydrophobicContact CD2-CB 3.86Å; W108-A112 HydrophobicContact CE3-CB 3.72Å; W108-A112 HydrophobicContact CH2-CB 3.58Å; W108-A112 HydrophobicContact CZ2-CB 3.72Å; W108-A112 VanDerWaalsContact CZ3-CA 3.44Å; W108-A112 HydrophobicContact CZ3-CB 3.58Å; W108-A112 PolarHBondContact O-N 2.63Å; W108-V127 HydrophobicContact CB-CG1 4.19Å; W108-V127 HydrophobicContact CB-CG2 3.93Å; W108-V127 HydrophobicContact CD2-CG2 4.01Å; W108-V127 HydrophobicContact CE3-CG2 3.86Å; W108-V127 HydrophobicContact CG-CG1 4.25Å; W108-V127 HydrophobicContact CG-CG2 4.06Å; W108-L155 HydrophobicContact CH2-CB 4.29Å; W108-L155 HydrophobicContact CH2-CD1 3.87Å; W108-L155 HydrophobicContact CZ2-CB 4.16Å; W108-L155 HydrophobicContact CZ2-CD1 4.47Å; W108-I159 HydrophobicContact CD2-CD1 4.27Å; W108-I159 HydrophobicContact CH2-CD1 4.34Å; W108-I159 HydrophobicContact CZ2-CD1 3.8Å
109N97.6Very high96.6Very high0 Ų031.1 Ų31.10%015%0.154CC..Hα-helixtrans-61.4-26.2-169.9-161.430.9000113.2F25 T26 R79 G82 D107 G111 A112 T113F25-N109 HydrophobicContact CE1-CB 3.76Å; F25-N109 HydrophobicContact CZ-CB 4.09Å; T26-N109 PolarHBondContact O-ND2 3.04Å; R79-N109 WeakPolarHBondContact CB-OD1 3.46Å; R79-N109 VanDerWaalsContact CG-OD1 3.27Å; R79-N109 WeakPolarHBondContact CG-OD1 3.45Å; G82-N109 PolarHBondContact O-ND2 3.43Å; D107-N109 WeakPolarHBondContact OD1-CB 3.36Å; D107-N109 PolarHBondContact OD1-N 2.85Å; D107-N109 VanDerWaalsContact OD1-N 3.11Å; N109-G111 VanDerWaalsContact C-N 3.28Å; N109-G111 PolarHBondContact O-N 3.07Å; N109-A112 PolarHBondContact O-N 2.79Å; N109-T113 WeakPolarHBondContact O-CB 3.41Å; N109-T113 PolarHBondContact O-N 2.82Å; N109-T113 PolarHBondContact O-OG1 3.28Å; N109-T113 PolarHBondContact OD1-OG1 3.15Å
110R97.5Very high96.8Very high103 Ų10327.8 Ų27.839%0.38914%0.138SC..Hα-helixtrans-70.8-17.3171.5-57.3-167.682.1172.73.4114T26 L28 T37 A38 N40 W108T26-R110 HydrophobicContact CG2-CG 4.19Å; L28-R110 HydrophobicContact CD1-CG 4.2Å; T37-R110 WeakPolarHBondContact CB-O 3.22Å; T37-R110 VanDerWaalsContact OG1-C 3.31Å; T37-R110 WeakPolarHBondContact OG1-CA 3.4Å; T37-R110 PolarHBondContact OG1-O 2.77Å; A38-R110 VanDerWaalsContact O-CB 3.24Å; A38-R110 WeakPolarHBondContact O-CB 3.28Å; N40-R110 HydrophobicContact CB-CB 4.34Å; N40-R110 HydrophobicContact CB-CG 4.43Å; W108-R110 PolarHBondContact O-N 3.15Å; W108-R110 VanDerWaalsContact O-N 3.08Å
111G96.8Very high96.8Very high9 Ų925.2 Ų25.29%0.09313%0.125CC..Hα-helixtrans-94-31.2167.900000113W108 N109W108-G111 WeakPolarHBondContact O-CA 3.49Å; W108-G111 PolarHBondContact O-N 3.31Å; N109-G111 VanDerWaalsContact C-N 3.28Å; N109-G111 PolarHBondContact O-N 3.07Å
112A97Very high96.8Very high0 Ų028.7 Ų28.70%015%0.15CC..Hα-helixtrans-82.4-21.7-176.400000114G77 F78 R79 W108 N109 T114G77-A112 WeakPolarHBondContact O-CB 3.35Å; F78-A112 VanDerWaalsContact CD2-O 3.31Å; F78-A112 WeakPolarHBondContact CD2-O 3.48Å; R79-A112 HydrophobicContact CB-CB 4.23Å; R79-A112 HydrophobicContact CG-CB 4.01Å; R79-A112 PolarHBondContact N-O 2.99Å; W108-A112 HydrophobicContact CD2-CB 3.86Å; W108-A112 HydrophobicContact CE3-CB 3.72Å; W108-A112 HydrophobicContact CH2-CB 3.58Å; W108-A112 HydrophobicContact CZ2-CB 3.72Å; W108-A112 VanDerWaalsContact CZ3-CA 3.44Å; W108-A112 HydrophobicContact CZ3-CB 3.58Å; W108-A112 PolarHBondContact O-N 2.63Å; N109-A112 PolarHBondContact O-N 2.79Å; A112-T114 PolarHBondContact O-N 3.42Å
113T96.5Very high96.8Very high2 Ų231.9 Ų31.91%0.01216%0.164CC..  trans-88.1101.4-174.6-59.20000112.2L28 A33 R79 G82 N109L28-T113 HydrophobicContact CB-CG2 4.26Å; L28-T113 HydrophobicContact CD1-CG2 4.08Å; A33-T113 HydrophobicContact CB-CG2 3.77Å; R79-T113 WeakPolarHBondContact O-CA 3.3Å; G82-T113 WeakPolarHBondContact CA-OG1 3.34Å; N109-T113 WeakPolarHBondContact O-CB 3.41Å; N109-T113 PolarHBondContact O-N 2.82Å; N109-T113 PolarHBondContact O-OG1 3.28Å; N109-T113 PolarHBondContact OD1-OG1 3.15Å
114T94.5Very high96.8Very high11 Ų1132.2 Ų32.27%0.06717%0.166CC..  trans-162.9158.2176.5-178.50000110.1A33 F78 A112 I116 H119 A120A33-T114 WeakPolarHBondContact O-CA 3.34Å; F78-T114 HydrophobicContact CE2-CG2 3.75Å; F78-T114 WeakPolarHBondContact CE2-O 3.46Å; F78-T114 WeakPolarHBondContact CZ-O 3.48Å; A112-T114 PolarHBondContact O-N 3.42Å; T114-I116 VanDerWaalsContact C-N 3.3Å; T114-I116 WeakPolarHBondContact CG2-O 3.34Å; T114-I116 PolarHBondContact OG1-N 2.93Å; T114-I116 VanDerWaalsContact OG1-N 3.15Å; T114-H119 HydrophobicContact CG2-CB 4.18Å; T114-A120 HydrophobicContact CG2-CB 3.89Å
115L93.3Very high96.8Very high84 Ų8436.6 Ų36.644%0.4418%0.182SC..SBendtrans-78.4-16.3167.8-58.9-175000112.7F30 A33 V34 I80F30-L115 HydrophobicContact CE2-CD2 3.74Å; F30-L115 HydrophobicContact CZ-CD1 4.25Å; F30-L115 HydrophobicContact CZ-CD2 3.94Å; A33-L115 HydrophobicContact CB-CD2 4.16Å; A33-L115 HydrophobicContact CB-CG 4.33Å; A33-L115 PolarHBondContact O-N 3.14Å; A33-L115 VanDerWaalsContact O-N 3.16Å; V34-L115 HydrophobicContact CG2-CD1 3.85Å; I80-L115 HydrophobicContact CG2-CD2 3.85Å
116I93.3Very high96.8Very high81 Ų8142.1 Ų42.142%0.41521%0.206SC..  trans-104.398.8-172.7-57171.6000109.2T114 T118 H119T114-I116 VanDerWaalsContact C-N 3.3Å; T114-I116 WeakPolarHBondContact CG2-O 3.34Å; T114-I116 PolarHBondContact OG1-N 2.93Å; T114-I116 VanDerWaalsContact OG1-N 3.15Å; I116-T118 VanDerWaalsContact C-N 3.27Å; I116-T118 VanDerWaalsContact CG2-OG1 3.27Å; I116-T118 WeakPolarHBondContact CG2-OG1 3.47Å; I116-T118 PolarHBondContact O-N 3.22Å; I116-H119 HydrophobicContact CB-CB 4.32Å; I116-H119 VanDerWaalsContact CD1-CE1 3.49Å; I116-H119 WeakPolarHBondContact CD1-CE1 3.37Å; I116-H119 HydrophobicContact CG2-CB 4.36Å; I116-H119 WeakPolarHBondContact O-CB 3.49Å; I116-H119 PolarHBondContact O-N 3.17Å
117Y94.4Very high96.8Very high49 Ų4942.1 Ų42.119%0.19221%0.206CC..Hα-helixtrans-54.6-39.4-174.8179.5-97.6000113.7F78 H119 A120 S121 L155 A180 P182 L183F78-Y117 HydrophobicContact CB-CD2 4.38Å; F78-Y117 HydrophobicContact CB-CE2 4.3Å; F78-Y117 AromaticContact CD1-CD2 3.78Å; F78-Y117 HydrophobicContact CD1-CD2 3.78Å; F78-Y117 HydrophobicContact CD1-CE2 4.35Å; F78-Y117 HydrophobicContact CD2-CD2 4.25Å; F78-Y117 HydrophobicContact CE1-CD2 4.04Å; F78-Y117 AromaticContact CG-CD2 3.88Å; F78-Y117 HydrophobicContact CG-CD2 3.88Å; F78-Y117 HydrophobicContact CG-CE2 4.29Å; F78-Y117 HydrophobicContact CZ-CD2 4.4Å; Y117-H119 PolarHBondContact O-N 2.79Å; Y117-A120 PolarHBondContact O-N 3.05Å; Y117-S121 WeakPolarHBondContact O-CB 3.42Å; Y117-S121 PolarHBondContact O-N 3.3Å; Y117-L155 HydrophobicContact CE2-CD1 4.21Å; Y117-L155 HydrophobicContact CE2-CD2 4.24Å; Y117-L155 HydrophobicContact CE2-CG 4.27Å; Y117-L155 WeakPolarHBondContact OH-CD2 3.4Å; Y117-A180 WeakPolarHBondContact OH-CB 3.31Å; Y117-P182 HydrophobicContact CD1-CB 4.38Å; Y117-P182 HydrophobicContact CE1-CB 3.74Å; Y117-P182 VanDerWaalsContact CE1-O 3.23Å; Y117-P182 WeakPolarHBondContact CE1-O 3.23Å; Y117-P182 PolarHBondContact OH-O 3.48Å; Y117-L183 HydrophobicContact CD1-CD1 3.67Å; Y117-L183 HydrophobicContact CD1-CG 4.14Å; Y117-L183 HydrophobicContact CE1-CB 4.35Å; Y117-L183 HydrophobicContact CE1-CD1 3.62Å; Y117-L183 HydrophobicContact CE1-CG 3.84Å
118T96.1Very high96.8Very high71 Ų7142 Ų4244%0.43621%0.206SC..Hα-helixtrans-59.7-33.3177.453.70000112.6I116 S122 L183I116-T118 VanDerWaalsContact C-N 3.27Å; I116-T118 VanDerWaalsContact CG2-OG1 3.27Å; I116-T118 WeakPolarHBondContact CG2-OG1 3.47Å; I116-T118 PolarHBondContact O-N 3.22Å; T118-S122 WeakPolarHBondContact O-CB 3.46Å; T118-S122 PolarHBondContact O-N 3.38Å; T118-L183 HydrophobicContact CG2-CD1 3.77Å; T118-L183 HydrophobicContact CG2-CD2 4.45Å
119H95.3Very high96.8Very high102 Ų10246.2 Ų46.247%0.47223%0.227SC..Hα-helixtrans-65.2-48.9176.3-69.9-175.2000110.9T114 I116 Y117 S122 K123T114-H119 HydrophobicContact CG2-CB 4.18Å; I116-H119 HydrophobicContact CB-CB 4.32Å; I116-H119 VanDerWaalsContact CD1-CE1 3.49Å; I116-H119 WeakPolarHBondContact CD1-CE1 3.37Å; I116-H119 HydrophobicContact CG2-CB 4.36Å; I116-H119 WeakPolarHBondContact O-CB 3.49Å; I116-H119 PolarHBondContact O-N 3.17Å; Y117-H119 PolarHBondContact O-N 2.79Å; H119-S122 PolarHBondContact O-N 3.3Å; H119-S122 PolarHBondContact O-OG 3.45Å; H119-K123 WeakPolarHBondContact O-CG 3.46Å
120A96.8Very high96.8Very high0 Ų048.6 Ų48.60%024%0.242CC..Hα-helixtrans-62.7-46.5176.600000111.4F78 T114 Y117 S122 K123 L155F78-A120 HydrophobicContact CD2-CB 3.57Å; F78-A120 HydrophobicContact CE2-CB 3.96Å; T114-A120 HydrophobicContact CG2-CB 3.89Å; Y117-A120 PolarHBondContact O-N 3.05Å; A120-S122 VanDerWaalsContact C-N 3.28Å; A120-S122 PolarHBondContact O-N 3.14Å; A120-K123 PolarHBondContact O-N 3.02Å; A120-L155 HydrophobicContact CB-CD1 4.07Å
121S97.3Very high96.9Very high13 Ų1343.7 Ų43.79%0.09122%0.224CC..Hα-helixtrans-57.3-40.3178.4-167.60000112.1Y117 K123 T124 F184Y117-S121 WeakPolarHBondContact O-CB 3.42Å; Y117-S121 PolarHBondContact O-N 3.3Å; S121-K123 PolarHBondContact O-N 3.4Å; S121-T124 WeakPolarHBondContact O-CB 3.24Å; S121-T124 VanDerWaalsContact O-CG2 3.32Å; S121-T124 WeakPolarHBondContact O-CG2 3.41Å; S121-T124 PolarHBondContact O-N 2.91Å; S121-T124 PolarHBondContact O-OG1 3.34Å; S121-F184 WeakPolarHBondContact OG-CE2 3.32Å
122S96.6Very high97Very high74 Ų7445.5 Ų45.552%0.51723%0.229SC..Hα-helixtrans-65.8-16.6178.976.60000114.6T118 H119 A120T118-S122 WeakPolarHBondContact O-CB 3.46Å; T118-S122 PolarHBondContact O-N 3.38Å; H119-S122 PolarHBondContact O-N 3.3Å; H119-S122 PolarHBondContact O-OG 3.45Å; A120-S122 VanDerWaalsContact C-N 3.28Å; A120-S122 PolarHBondContact O-N 3.14Å
123K98Very high97Very high69 Ų6951 Ų5130%0.326%0.255SS..Hα-helixtrans-90.5-13.5179.2-59.6-55.7-178.8-175.70113.3L39 H119 A120 S121 R125 K126 V127L39-K123 HydrophobicContact CD1-CB 4.46Å; L39-K123 HydrophobicContact CD2-CB 4.39Å; L39-K123 HydrophobicContact CD2-CD 4.46Å; H119-K123 WeakPolarHBondContact O-CG 3.46Å; A120-K123 PolarHBondContact O-N 3.02Å; S121-K123 PolarHBondContact O-N 3.4Å; K123-R125 PolarHBondContact O-N 3.42Å; K123-K126 HydrophobicContact CD-CD 4.44Å; K123-K126 WeakPolarHBondContact O-CA 3.35Å; K123-K126 WeakPolarHBondContact O-CB 3.16Å; K123-K126 PolarHBondContact O-N 3.22Å; K123-V127 PolarHBondContact O-N 3.11Å
124T98.4Very high97.1Very high7 Ų751 Ų514%0.04326%0.255CS..Hα-helixtrans-53-51.3-17552.20000112.7S121 K126 V127 A128 L155 I159 F162S121-T124 WeakPolarHBondContact O-CB 3.24Å; S121-T124 VanDerWaalsContact O-CG2 3.32Å; S121-T124 WeakPolarHBondContact O-CG2 3.41Å; S121-T124 PolarHBondContact O-N 2.91Å; S121-T124 PolarHBondContact O-OG1 3.34Å; T124-K126 VanDerWaalsContact C-N 3.29Å; T124-K126 PolarHBondContact O-N 3.34Å; T124-V127 WeakPolarHBondContact O-CB 3.37Å; T124-V127 PolarHBondContact O-N 3.13Å; T124-V127 VanDerWaalsContact O-N 3.1Å; T124-A128 PolarHBondContact O-N 3.26Å; T124-L155 HydrophobicContact CG2-CB 4.22Å; T124-L155 HydrophobicContact CG2-CD1 4.48Å; T124-L155 HydrophobicContact CG2-CD2 4.18Å; T124-I159 HydrophobicContact CG2-CD1 4.14Å; T124-I159 HydrophobicContact CG2-CG1 3.85Å; T124-F162 WeakPolarHBondContact OG1-CE2 3.36Å
125R98.3Very high97.3Very high91 Ų9150.5 Ų50.534%0.34325%0.251SS..Hα-helixtrans-59.1-36.2175.1-72.5-168178.5-80.85.8113.4K123 A128 L129 F162 E165 Q190 D191K123-R125 PolarHBondContact O-N 3.42Å; R125-A128 WeakPolarHBondContact O-CB 3.38Å; R125-A128 PolarHBondContact O-N 2.77Å; R125-L129 WeakPolarHBondContact O-CG 3.14Å; R125-L129 PolarHBondContact O-N 3.37Å; R125-F162 HydrophobicContact CG-CD2 3.82Å; R125-F162 HydrophobicContact CG-CE2 3.87Å; R125-F162 HydrophobicContact CG-CG 4.22Å; R125-F162 HydrophobicContact CG-CZ 4.28Å; R125-E165 IonicContact NH1-OE2 3.59Å; R125-E165 PolarHBondContact NH1-OE2 3.34Å; R125-Q190 PolarHBondContact NH2-O 3.16Å; R125-D191 IonicContact CZ-OD1 3.15Å; R125-D191 IonicContact NH2-OD1 3.99Å; R125-D191 PolarHBondContact NH2-OD1 3.07Å
126K98.6Very high97.5Very high117 Ų11749.3 Ų49.351%0.50925%0.245SC..Hα-helixtrans-68.1-36.7176.3-64.8-171.8176.7-166.50112.1L39 K123 T124 L129 V130L39-K126 HydrophobicContact CD2-CB 3.64Å; L39-K126 HydrophobicContact CD2-CD 4.45Å; K123-K126 HydrophobicContact CD-CD 4.44Å; K123-K126 WeakPolarHBondContact O-CA 3.35Å; K123-K126 WeakPolarHBondContact O-CB 3.16Å; K123-K126 PolarHBondContact O-N 3.22Å; T124-K126 VanDerWaalsContact C-N 3.29Å; T124-K126 PolarHBondContact O-N 3.34Å; K126-L129 PolarHBondContact O-N 3.41Å; K126-V130 WeakPolarHBondContact O-CG2 3.41Å; K126-V130 PolarHBondContact O-N 3.1Å
127V98.8Very high97.7Very high0 Ų049.5 Ų49.50%025%0.245CC..Hα-helixtrans-64.8-44.6172.8-179.90000110L39 V41 V106 W108 K123 T124 L129 V130 L131 I159L39-V127 HydrophobicContact CD1-CG2 3.85Å; L39-V127 HydrophobicContact CD2-CG2 4.4Å; V41-V127 HydrophobicContact CG1-CG1 4.43Å; V41-V127 HydrophobicContact CG2-CB 4.39Å; V41-V127 HydrophobicContact CG2-CG1 4.1Å; V41-V127 HydrophobicContact CG2-CG2 4.01Å; V106-V127 HydrophobicContact CG1-CG1 4.18Å; W108-V127 HydrophobicContact CB-CG1 4.19Å; W108-V127 HydrophobicContact CB-CG2 3.93Å; W108-V127 HydrophobicContact CD2-CG2 4.01Å; W108-V127 HydrophobicContact CE3-CG2 3.86Å; W108-V127 HydrophobicContact CG-CG1 4.25Å; W108-V127 HydrophobicContact CG-CG2 4.06Å; K123-V127 PolarHBondContact O-N 3.11Å; T124-V127 WeakPolarHBondContact O-CB 3.37Å; T124-V127 PolarHBondContact O-N 3.13Å; T124-V127 VanDerWaalsContact O-N 3.1Å; V127-L129 VanDerWaalsContact C-N 3.31Å; V127-L129 PolarHBondContact O-N 3.24Å; V127-V130 PolarHBondContact O-N 3.05Å; V127-V130 VanDerWaalsContact O-N 3.14Å; V127-L131 HydrophobicContact CG1-CD1 4.45Å; V127-L131 WeakPolarHBondContact O-CG 3.49Å; V127-L131 PolarHBondContact O-N 3.27Å; V127-I159 HydrophobicContact CB-CD1 4.08Å; V127-I159 HydrophobicContact CB-CG1 4.49Å; V127-I159 HydrophobicContact CB-CG2 4.21Å; V127-I159 HydrophobicContact CG1-CD1 4.1Å; V127-I159 HydrophobicContact CG1-CG2 3.89Å; V127-I159 HydrophobicContact CG2-CD1 4.41Å
128A98.8Very high97.9Very high0 Ų047.2 Ų47.20%024%0.235CC..Hα-helixtrans-58-42.4177.300000112.1T124 R125 V130 L131 K132 I159 F162 V163 M166T124-A128 PolarHBondContact O-N 3.26Å; R125-A128 WeakPolarHBondContact O-CB 3.38Å; R125-A128 PolarHBondContact O-N 2.77Å; A128-V130 VanDerWaalsContact C-N 3.35Å; A128-V130 PolarHBondContact O-N 2.83Å; A128-L131 PolarHBondContact O-N 2.94Å; A128-L131 VanDerWaalsContact O-N 3.15Å; A128-K132 PolarHBondContact O-N 2.96Å; A128-I159 HydrophobicContact CB-CG2 4.26Å; A128-F162 HydrophobicContact CB-CB 3.63Å; A128-V163 HydrophobicContact CB-CG2 3.77Å; A128-M166 HydrophobicContact CB-CE 3.79Å; A128-M166 WeakPolarHBondContact O-CE 3.45Å
129L98.7Very high98Very high87 Ų8746.2 Ų46.246%0.45523%0.227SC..Hα-helixtrans-58.8-42.8175.1-73.1167.8000112.6R125 K126 V127 L131 K132 E133 M166R125-L129 WeakPolarHBondContact O-CG 3.14Å; R125-L129 PolarHBondContact O-N 3.37Å; K126-L129 PolarHBondContact O-N 3.41Å; V127-L129 VanDerWaalsContact C-N 3.31Å; V127-L129 PolarHBondContact O-N 3.24Å; L129-L131 VanDerWaalsContact C-N 3.32Å; L129-L131 PolarHBondContact O-N 3.25Å; L129-K132 WeakPolarHBondContact O-CB 3.19Å; L129-K132 PolarHBondContact O-N 3.16Å; L129-E133 WeakPolarHBondContact O-CG 3.33Å; L129-E133 PolarHBondContact O-N 3.08Å; L129-M166 HydrophobicContact CD2-SD 3.76Å; L129-M166 HydrophobicContact CG-SD 4.5Å
130V98.4Very high98.1Very high51 Ų5145 Ų4531%0.30924%0.235SC..Hα-helixtrans-64-38.81761760000111.5V41 K126 V127 A128 F134V41-V130 HydrophobicContact CB-CG1 4.04Å; V41-V130 HydrophobicContact CG1-CG1 4.15Å; V41-V130 HydrophobicContact CG2-CB 4.5Å; V41-V130 HydrophobicContact CG2-CG2 4.46Å; K126-V130 WeakPolarHBondContact O-CG2 3.41Å; K126-V130 PolarHBondContact O-N 3.1Å; V127-V130 PolarHBondContact O-N 3.05Å; V127-V130 VanDerWaalsContact O-N 3.14Å; A128-V130 VanDerWaalsContact C-N 3.35Å; A128-V130 PolarHBondContact O-N 2.83Å; V130-F134 PolarHBondContact O-N 3.43Å
131L98.8Very high98Very high0 Ų050.9 Ų50.90%026%0.262CS..Hα-helixtrans-67.5-39.8175.7-64.3-178.3000111.9L43 V75 V106 V127 A128 L129 F134 I135 M150 I159 V163L43-L131 HydrophobicContact CD2-CD2 3.62Å; V75-L131 HydrophobicContact CG2-CD1 4.29Å; V106-L131 HydrophobicContact CB-CD2 4.37Å; V106-L131 HydrophobicContact CG1-CD1 4.24Å; V106-L131 HydrophobicContact CG1-CD2 3.8Å; V106-L131 HydrophobicContact CG1-CG 4.4Å; V106-L131 HydrophobicContact CG2-CD1 4.18Å; V106-L131 HydrophobicContact CG2-CD2 3.6Å; V127-L131 HydrophobicContact CG1-CD1 4.45Å; V127-L131 WeakPolarHBondContact O-CG 3.49Å; V127-L131 PolarHBondContact O-N 3.27Å; A128-L131 PolarHBondContact O-N 2.94Å; A128-L131 VanDerWaalsContact O-N 3.15Å; L129-L131 VanDerWaalsContact C-N 3.32Å; L129-L131 PolarHBondContact O-N 3.25Å; L131-F134 PolarHBondContact O-N 3.38Å; L131-I135 VanDerWaalsContact O-CG1 3.31Å; L131-I135 WeakPolarHBondContact O-CG1 3.35Å; L131-I135 PolarHBondContact O-N 3.09Å; L131-M150 HydrophobicContact CD1-CE 3.83Å; L131-I159 HydrophobicContact CD1-CG2 3.9Å; L131-V163 HydrophobicContact CB-CG2 3.82Å; L131-V163 HydrophobicContact CD1-CG2 4.1Å
132K98.4Very high98Very high47 Ų4753 Ų5320%0.20429%0.287CS..Hα-helixtrans-57.2-53.1173.7173.5172.7-179.158.20110.7A128 L129 F134 I135 D136 M166 Y167A128-K132 PolarHBondContact O-N 2.96Å; L129-K132 WeakPolarHBondContact O-CB 3.19Å; L129-K132 PolarHBondContact O-N 3.16Å; K132-F134 PolarHBondContact O-N 3.34Å; K132-I135 PolarHBondContact O-N 3.22Å; K132-I135 VanDerWaalsContact O-N 3.07Å; K132-D136 WeakPolarHBondContact CG-OD2 3.23Å; K132-D136 IonicContact NZ-OD1 3.19Å; K132-D136 PolarHBondContact NZ-OD1 2.99Å; K132-D136 IonicContact NZ-OD2 3.9Å; K132-D136 PolarHBondContact O-N 3.31Å; K132-M166 HydrophobicContact CB-CE 3.79Å; K132-M166 HydrophobicContact CB-SD 4.35Å; K132-M166 HydrophobicContact CD-CB 3.83Å; K132-M166 HydrophobicContact CD-CE 4.16Å; K132-M166 HydrophobicContact CD-CG 4.32Å; K132-M166 HydrophobicContact CD-SD 3.67Å; K132-M166 PolarHBondContact NZ-O 2.85Å; K132-Y167 HydrophobicContact CG-CE2 4.32Å; K132-Y167 PolarHBondContact O-OH 2.77Å; K132-Y167 VanDerWaalsContact O-OH 3.04Å
133E98.1Very high98Very high115 Ų11550.1 Ų50.154%0.53727%0.267SS..Hα-helixtrans-55.6-39.8179.5-73.2174.2-171.300112.1L129 Q137L129-E133 WeakPolarHBondContact O-CG 3.33Å; L129-E133 PolarHBondContact O-N 3.08Å; E133-Q137 WeakPolarHBondContact O-CG 3.42Å; E133-Q137 PolarHBondContact O-N 2.75Å
134F98.4Very high98.1Very high3 Ų348.9 Ų48.91%0.01327%0.267CS..Hα-helixtrans-67.7-44.4176.2-178.5-108.5000112.7L43 V57 N58 F62 L65 F73 V130 L131 K132 Q137 M138L43-F134 HydrophobicContact CD1-CB 3.79Å; L43-F134 HydrophobicContact CD1-CD1 3.55Å; L43-F134 HydrophobicContact CD1-CD2 3.6Å; L43-F134 HydrophobicContact CD1-CE1 3.94Å; L43-F134 HydrophobicContact CD1-CE2 4Å; L43-F134 HydrophobicContact CD1-CG 3.34Å; L43-F134 HydrophobicContact CD1-CZ 4.15Å; V57-F134 HydrophobicContact CB-CE2 4.28Å; V57-F134 HydrophobicContact CB-CZ 4.25Å; V57-F134 HydrophobicContact CG2-CE2 4.06Å; V57-F134 HydrophobicContact CG2-CZ 3.69Å; N58-F134 WeakPolarHBondContact O-CE2 3.03Å; F62-F134 AromaticContact CD1-CE2 3.79Å; F62-F134 HydrophobicContact CD1-CE2 3.79Å; F62-F134 AromaticContact CD1-CZ 4Å; F62-F134 HydrophobicContact CD1-CZ 4Å; F62-F134 HydrophobicContact CE1-CD2 4.23Å; F62-F134 AromaticContact CE1-CE2 3.64Å; F62-F134 HydrophobicContact CE1-CE2 3.64Å; F62-F134 HydrophobicContact CE1-CZ 4.02Å; L65-F134 HydrophobicContact CD1-CE1 4.23Å; L65-F134 HydrophobicContact CD1-CZ 3.88Å; F73-F134 AromaticContact CE1-CD1 3.85Å; F73-F134 HydrophobicContact CE1-CD1 3.85Å; F73-F134 AromaticContact CE1-CE1 3.97Å; F73-F134 HydrophobicContact CE1-CE1 3.97Å; F73-F134 AromaticContact CZ-CD1 3.91Å; F73-F134 HydrophobicContact CZ-CD1 3.91Å; F73-F134 AromaticContact CZ-CE1 3.97Å; F73-F134 HydrophobicContact CZ-CE1 3.97Å; V130-F134 PolarHBondContact O-N 3.43Å; L131-F134 PolarHBondContact O-N 3.38Å; K132-F134 PolarHBondContact O-N 3.34Å; F134-Q137 PolarHBondContact O-N 2.81Å; F134-M138 HydrophobicContact CD1-CG 4.49Å; F134-M138 HydrophobicContact CD1-SD 3.86Å; F134-M138 HydrophobicContact CE1-CG 4.21Å; F134-M138 HydrophobicContact CE1-SD 3.5Å; F134-M138 WeakPolarHBondContact CE1-SD 2.96Å; F134-M138 HydrophobicContact CZ-CG 4.45Å; F134-M138 HydrophobicContact CZ-SD 4.21Å; F134-M138 PolarHBondContact O-N 3.44Å; F134-M138 VanDerWaalsContact O-N 3.12Å
135I98.5Very high98.1Very high0 Ų049.8 Ų49.80%027%0.271CS..Hα-helixtrans-65.2-40.5177.5-66.6163.7000110.5F73 L131 K132 Q137 M138 L139 L145 I148 V163 Y167F73-I135 HydrophobicContact CE2-CD1 4.21Å; F73-I135 HydrophobicContact CE2-CG1 4.08Å; F73-I135 HydrophobicContact CZ-CD1 4.28Å; F73-I135 HydrophobicContact CZ-CG1 3.83Å; L131-I135 VanDerWaalsContact O-CG1 3.31Å; L131-I135 WeakPolarHBondContact O-CG1 3.35Å; L131-I135 PolarHBondContact O-N 3.09Å; K132-I135 PolarHBondContact O-N 3.22Å; K132-I135 VanDerWaalsContact O-N 3.07Å; I135-Q137 PolarHBondContact O-N 3.04Å; I135-M138 WeakPolarHBondContact O-CA 3.46Å; I135-M138 WeakPolarHBondContact O-CB 3.47Å; I135-M138 PolarHBondContact O-N 3.02Å; I135-L139 HydrophobicContact CG2-CD1 4.35Å; I135-L139 HydrophobicContact CG2-CG 4.28Å; I135-L139 WeakPolarHBondContact O-CG 3.3Å; I135-L139 PolarHBondContact O-N 2.99Å; I135-L145 HydrophobicContact CG2-CD2 4.16Å; I135-I148 HydrophobicContact CD1-CG2 4.29Å; I135-I148 HydrophobicContact CG2-CD1 4.5Å; I135-I148 HydrophobicContact CG2-CG1 4.39Å; I135-V163 HydrophobicContact CD1-CG1 3.75Å; I135-Y167 HydrophobicContact CB-CE2 4.26Å; I135-Y167 VanDerWaalsContact CB-OH 3.3Å; I135-Y167 WeakPolarHBondContact CB-OH 3.41Å; I135-Y167 HydrophobicContact CD1-CE2 4.3Å; I135-Y167 HydrophobicContact CG2-CE1 4.49Å; I135-Y167 HydrophobicContact CG2-CE2 3.93Å; I135-Y167 VanDerWaalsContact CG2-OH 3.25Å; I135-Y167 WeakPolarHBondContact CG2-OH 3.4Å
136D98.3Very high98.1Very high59 Ų5950.3 Ų50.332%0.31628%0.281SS..Hα-helixtrans-55.9-39.3176.5-73.7-31.4000110.8K132 L139 A140 Y167K132-D136 WeakPolarHBondContact CG-OD2 3.23Å; K132-D136 IonicContact NZ-OD1 3.19Å; K132-D136 PolarHBondContact NZ-OD1 2.99Å; K132-D136 IonicContact NZ-OD2 3.9Å; K132-D136 PolarHBondContact O-N 3.31Å; D136-L139 PolarHBondContact O-N 2.81Å; D136-A140 PolarHBondContact O-N 2.98Å; D136-Y167 PolarHBondContact N-OH 3.3Å; D136-Y167 WeakPolarHBondContact OD1-CE1 3.48Å; D136-Y167 PolarHBondContact OD1-OH 3.28Å
137Q97.5Very high98.1Very high85 Ų8547.7 Ų47.740%0.39727%0.272SS..Hα-helixtrans-70.3-37.9174.3-61.5-58.3-4700112.5F62 E133 F134 I135 L139 A140 E141F62-Q137 HydrophobicContact CE1-CB 4.37Å; F62-Q137 HydrophobicContact CE2-CB 4.37Å; F62-Q137 HydrophobicContact CZ-CB 3.54Å; E133-Q137 WeakPolarHBondContact O-CG 3.42Å; E133-Q137 PolarHBondContact O-N 2.75Å; F134-Q137 PolarHBondContact O-N 2.81Å; I135-Q137 PolarHBondContact O-N 3.04Å; Q137-L139 VanDerWaalsContact C-N 3.28Å; Q137-L139 PolarHBondContact O-N 3Å; Q137-A140 WeakPolarHBondContact O-CB 3.48Å; Q137-A140 PolarHBondContact O-N 3.45Å; Q137-E141 PolarHBondContact O-N 3.23Å; Q137-E141 VanDerWaalsContact O-N 3.14Å
138M97.8Very high98.1Very high0 Ų047.8 Ų47.80%027%0.273CS..Hα-helixtrans-60.8-40.6174.2-66.5173.453.200111.4F62 L65 T71 F73 F134 I135 E141 G142 A143 I148F62-M138 HydrophobicContact CD1-CG 4.4Å; F62-M138 HydrophobicContact CE1-CG 3.62Å; F62-M138 HydrophobicContact CZ-CG 4.25Å; L65-M138 HydrophobicContact CD1-CE 4.42Å; L65-M138 HydrophobicContact CD1-SD 4.26Å; L65-M138 HydrophobicContact CD2-CE 4.35Å; T71-M138 HydrophobicContact CG2-CE 3.8Å; T71-M138 HydrophobicContact CG2-SD 4.48Å; T71-M138 WeakPolarHBondContact OG1-CE 3.35Å; F73-M138 HydrophobicContact CZ-SD 3.98Å; F134-M138 HydrophobicContact CD1-CG 4.49Å; F134-M138 HydrophobicContact CD1-SD 3.86Å; F134-M138 HydrophobicContact CE1-CG 4.21Å; F134-M138 HydrophobicContact CE1-SD 3.5Å; F134-M138 WeakPolarHBondContact CE1-SD 2.96Å; F134-M138 HydrophobicContact CZ-CG 4.45Å; F134-M138 HydrophobicContact CZ-SD 4.21Å; F134-M138 PolarHBondContact O-N 3.44Å; F134-M138 VanDerWaalsContact O-N 3.12Å; I135-M138 WeakPolarHBondContact O-CA 3.46Å; I135-M138 WeakPolarHBondContact O-CB 3.47Å; I135-M138 PolarHBondContact O-N 3.02Å; M138-E141 CarbonylContact O-C 3.57Å; M138-E141 PolarHBondContact O-N 2.93Å; M138-G142 PolarHBondContact O-N 3.13Å; M138-A143 HydrophobicContact CB-CB 3.87Å; M138-A143 HydrophobicContact CE-CB 4.33Å; M138-A143 VanDerWaalsContact O-CB 3.24Å; M138-A143 WeakPolarHBondContact O-CB 3.2Å; M138-A143 PolarHBondContact O-N 3.29Å; M138-I148 HydrophobicContact CE-CD1 3.74Å
139L97.8Very high98.1Very high51 Ų5147.8 Ų47.827%0.26727%0.273SS..Hα-helixtrans-64.7-40.2176.3-63.4177.1000111.4I135 D136 Q137 E141 G142 A143 L145 Y167I135-L139 HydrophobicContact CG2-CD1 4.35Å; I135-L139 HydrophobicContact CG2-CG 4.28Å; I135-L139 WeakPolarHBondContact O-CG 3.3Å; I135-L139 PolarHBondContact O-N 2.99Å; D136-L139 PolarHBondContact O-N 2.81Å; Q137-L139 VanDerWaalsContact C-N 3.28Å; Q137-L139 PolarHBondContact O-N 3Å; L139-E141 PolarHBondContact O-N 3.33Å; L139-G142 PolarHBondContact O-N 2.98Å; L139-A143 HydrophobicContact CD2-CB 4.38Å; L139-A143 WeakPolarHBondContact CD2-O 3.41Å; L139-L145 HydrophobicContact CD1-CD2 3.79Å; L139-L145 HydrophobicContact CD1-CG 4.11Å; L139-L145 HydrophobicContact CD2-CD2 3.9Å; L139-L145 HydrophobicContact CD2-CG 3.93Å; L139-L145 HydrophobicContact CG-CD2 4.33Å; L139-Y167 HydrophobicContact CD1-CE1 3.97Å
140A96.9Very high98.1Very high76 Ų7643.7 Ų43.763%0.62825%0.251SS*.Hα-helixtrans-60.6-31.2175.100000112.7D136 Q137 G142D136-A140 PolarHBondContact O-N 2.98Å; Q137-A140 WeakPolarHBondContact O-CB 3.48Å; Q137-A140 PolarHBondContact O-N 3.45Å; A140-G142 VanDerWaalsContact C-N 3.33Å
141E95.8Very high98.1Very high124 Ų12441.2 Ų41.258%0.57924%0.237SC*.THydrogen-bonded Turntrans-86.30.6174.5-66.7-63.7148.100113.6F62 V67 Q137 M138 L139F62-E141 HydrophobicContact CD2-CG 4.27Å; F62-E141 HydrophobicContact CE2-CG 3.62Å; F62-E141 HydrophobicContact CZ-CG 4.34Å; V67-E141 HydrophobicContact CG1-CB 3.95Å; V67-E141 HydrophobicContact CG2-CB 4.38Å; V67-E141 WeakPolarHBondContact CG2-O 3.38Å; Q137-E141 PolarHBondContact O-N 3.23Å; Q137-E141 VanDerWaalsContact O-N 3.14Å; M138-E141 CarbonylContact O-C 3.57Å; M138-E141 PolarHBondContact O-N 2.93Å; L139-E141 PolarHBondContact O-N 3.33Å
142G96.6Very high98.1Very high58 Ų5841.2 Ų41.260%0.59824%0.237SC*.THydrogen-bonded Turntrans102.415172.700000116.2M138 L139 A140M138-G142 PolarHBondContact O-N 3.13Å; L139-G142 PolarHBondContact O-N 2.98Å; A140-G142 VanDerWaalsContact C-N 3.33Å
143A97.8Very high98.1Very high13 Ų1339.3 Ų39.311%0.10723%0.229CC..  trans-65.6155.2167.300000111.5V67 M138 L139V67-A143 HydrophobicContact CB-CB 4.09Å; V67-A143 WeakPolarHBondContact O-CA 3.31Å; M138-A143 HydrophobicContact CB-CB 3.87Å; M138-A143 HydrophobicContact CE-CB 4.33Å; M138-A143 VanDerWaalsContact O-CB 3.24Å; M138-A143 WeakPolarHBondContact O-CB 3.2Å; M138-A143 PolarHBondContact O-N 3.29Å; L139-A143 HydrophobicContact CD2-CB 4.38Å; L139-A143 WeakPolarHBondContact CD2-O 3.41Å
144S98.4Very high98.1Very high42 Ų4234.6 Ų34.629%0.29421%0.209SC..  trans-103.4145.1170.1-177.40000111D146 D147S144-D146 PolarHBondContact O-N 3.1Å; S144-D146 WeakPolarHBondContact OG-CB 3.48Å; S144-D146 PolarHBondContact OG-N 2.93Å; S144-D146 PolarHBondContact OG-OD2 2.84Å; S144-D147 PolarHBondContact O-N 3.15Å
145L98.6Very high98.1Very high26 Ų2634.5 Ų34.514%0.13621%0.208CC..G310 helixtrans-63.8-28.5169.9-70.6178.7000112.1I135 L139 D147 I148 Y167 Q170 L171 G172I135-L145 HydrophobicContact CG2-CD2 4.16Å; L139-L145 HydrophobicContact CD1-CD2 3.79Å; L139-L145 HydrophobicContact CD1-CG 4.11Å; L139-L145 HydrophobicContact CD2-CD2 3.9Å; L139-L145 HydrophobicContact CD2-CG 3.93Å; L139-L145 HydrophobicContact CG-CD2 4.33Å; L145-D147 PolarHBondContact O-N 2.66Å; L145-I148 HydrophobicContact CD2-CG1 4.43Å; L145-I148 PolarHBondContact O-N 2.64Å; L145-I148 VanDerWaalsContact O-N 3.11Å; L145-Y167 HydrophobicContact CD1-CD1 3.97Å; L145-Y167 HydrophobicContact CD1-CG 4.35Å; L145-Y167 HydrophobicContact CD2-CD1 3.96Å; L145-Y167 HydrophobicContact CD2-CD2 4.46Å; L145-Y167 HydrophobicContact CD2-CE1 4.12Å; L145-Y167 HydrophobicContact CD2-CG 4.14Å; L145-Q170 HydrophobicContact CD1-CB 3.72Å; L145-L171 HydrophobicContact CD2-CD2 3.88Å; L145-G172 PolarHBondContact O-N 2.69Å
146D98.3Very high98.2Very high102 Ų10234.5 Ų34.555%0.54521%0.208SC..G310 helixtrans-59.3-30.2174.3-62.8-38.2000112.3S144 G172 Q199S144-D146 PolarHBondContact O-N 3.1Å; S144-D146 WeakPolarHBondContact OG-CB 3.48Å; S144-D146 PolarHBondContact OG-N 2.93Å; S144-D146 PolarHBondContact OG-OD2 2.84Å; D146-G172 WeakPolarHBondContact O-CA 3.28Å; D146-Q199 PolarHBondContact OD1-NE2 3.19Å
147D98.4Very high98.2Very high62 Ų6231.7 Ų31.733%0.33219%0.193SC..G310 helixtrans-91.80.7-177.8-75-42.4000112.9K70 T71 S144 L145K70-D147 CarbonylContact C-O 3.39Å; K70-D147 WeakPolarHBondContact CA-O 3.18Å; K70-D147 WeakPolarHBondContact CG-O 3.33Å; T71-D147 PolarHBondContact N-O 2.8Å; S144-D147 PolarHBondContact O-N 3.15Å; L145-D147 PolarHBondContact O-N 2.66Å
148I98.8Very high98.3Very high2 Ų227.6 Ų27.61%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-89118.2174.4-55.5-58.8000109.5F73 I135 M138 L145 M150 L171 G172 R173F73-I148 HydrophobicContact CD2-CG2 4.18Å; F73-I148 HydrophobicContact CE2-CD1 4.27Å; F73-I148 HydrophobicContact CE2-CG2 4.07Å; I135-I148 HydrophobicContact CD1-CG2 4.29Å; I135-I148 HydrophobicContact CG2-CD1 4.5Å; I135-I148 HydrophobicContact CG2-CG1 4.39Å; M138-I148 HydrophobicContact CE-CD1 3.74Å; L145-I148 HydrophobicContact CD2-CG1 4.43Å; L145-I148 PolarHBondContact O-N 2.64Å; L145-I148 VanDerWaalsContact O-N 3.11Å; I148-M150 HydrophobicContact CG2-CG 4.3Å; I148-L171 HydrophobicContact CB-CD2 4.19Å; I148-L171 HydrophobicContact CG2-CD2 3.99Å; I148-G172 PolarHBondContact O-N 2.87Å; I148-R173 PolarHBondContact O-N 3.04Å
149Y98.9Very high98.3Very high1 Ų127.6 Ų27.60%0.00417%0.174CC..EExtended strand (participates in β ladder)trans-117.7129.2174.4179.1-154000109.8T71 T72 F73 I151 R173 T175 Y255 Y297T71-Y149 PolarHBondContact O-N 2.79Å; T72-Y149 CarbonylContact C-O 3.59Å; T72-Y149 WeakPolarHBondContact CA-O 3.38Å; T72-Y149 HydrophobicContact CG2-CD1 3.54Å; T72-Y149 HydrophobicContact CG2-CE1 4.1Å; T72-Y149 HydrophobicContact CG2-CG 4.09Å; T72-Y149 WeakPolarHBondContact OG1-CD1 3.48Å; F73-Y149 PolarHBondContact N-O 3.21Å; Y149-I151 HydrophobicContact CD1-CD1 4.44Å; Y149-I151 HydrophobicContact CD1-CG1 4.4Å; Y149-I151 HydrophobicContact CE1-CD1 3.73Å; Y149-I151 HydrophobicContact CE1-CG1 3.79Å; Y149-I151 HydrophobicContact CE2-CG1 3.88Å; Y149-R173 WeakPolarHBondContact CA-O 3.3Å; Y149-R173 HydrophobicContact CD2-CB 3.62Å; Y149-R173 HydrophobicContact CD2-CG 3.7Å; Y149-R173 WeakPolarHBondContact CD2-O 3.24Å; Y149-R173 HydrophobicContact CE2-CB 4.03Å; Y149-R173 HydrophobicContact CE2-CG 3.54Å; Y149-R173 HydrophobicContact CG-CB 4.42Å; Y149-T175 VanDerWaalsContact CE2-OG1 3.28Å; Y149-T175 WeakPolarHBondContact CE2-OG1 3.41Å; Y149-T175 WeakPolarHBondContact OH-CB 3.41Å; Y149-T175 PolarHBondContact OH-OG1 2.78Å; Y149-Y255 WeakPolarHBondContact CE1-OH 3.26Å; Y149-Y255 WeakPolarHBondContact OH-CE2 3.41Å; Y149-Y255 PolarHBondContact OH-OH 3.2Å; Y149-Y297 HydrophobicContact CE1-CD2 4.49Å; Y149-Y297 HydrophobicContact CE1-CE2 4.44Å
150M98.9Very high98.4Very high0 Ų025.2 Ų25.20%016%0.161CC..EExtended strand (participates in β ladder)trans-117.4127.7176.1-55.5-168.773.300111.5F73 V75 L131 I148 V163 L171 R173 I174 T175F73-M150 HydrophobicContact CB-CE 4.27Å; F73-M150 HydrophobicContact CB-CG 4.3Å; F73-M150 HydrophobicContact CD2-CG 4.45Å; V75-M150 HydrophobicContact CG2-CE 4Å; L131-M150 HydrophobicContact CD1-CE 3.83Å; I148-M150 HydrophobicContact CG2-CG 4.3Å; M150-V163 HydrophobicContact CE-CB 4.15Å; M150-V163 HydrophobicContact CE-CG1 4.39Å; M150-V163 HydrophobicContact CE-CG2 4.03Å; M150-V163 HydrophobicContact SD-CB 3.78Å; M150-V163 HydrophobicContact SD-CG1 3.81Å; M150-V163 HydrophobicContact SD-CG2 4.34Å; M150-L171 HydrophobicContact CG-CD1 4.3Å; M150-L171 HydrophobicContact SD-CD1 3.72Å; M150-R173 PolarHBondContact N-O 2.91Å; M150-I174 HydrophobicContact CB-CG1 4.26Å; M150-I174 CarbonylContact O-C 3.57Å; M150-I174 WeakPolarHBondContact O-CA 3.45Å; M150-T175 PolarHBondContact O-N 3.46Å
151I98.9Very high98.5Very high0 Ų021.6 Ų21.60%013%0.131CC..EExtended strand (participates in β ladder)trans-110.9107.3172.5-58.1169.4000107.5T72 F73 V75 L91 L95 Y149 T175 L177 Y255T72-I151 HydrophobicContact CG2-CD1 3.67Å; T72-I151 HydrophobicContact CG2-CG1 4.07Å; F73-I151 PolarHBondContact O-N 2.96Å; V75-I151 PolarHBondContact N-O 3.19Å; L91-I151 HydrophobicContact CD2-CG2 4.49Å; L95-I151 HydrophobicContact CD1-CD1 3.85Å; L95-I151 HydrophobicContact CD2-CD1 4.02Å; Y149-I151 HydrophobicContact CD1-CD1 4.44Å; Y149-I151 HydrophobicContact CD1-CG1 4.4Å; Y149-I151 HydrophobicContact CE1-CD1 3.73Å; Y149-I151 HydrophobicContact CE1-CG1 3.79Å; Y149-I151 HydrophobicContact CE2-CG1 3.88Å; I151-T175 WeakPolarHBondContact CA-O 3.38Å; I151-L177 HydrophobicContact CG2-CD1 3.45Å; I151-L177 VanDerWaalsContact CG2-CD1 3.45Å; I151-L177 HydrophobicContact CG2-CG 3.98Å; I151-Y255 HydrophobicContact CD1-CE1 3.9Å; I151-Y255 WeakPolarHBondContact CD1-OH 3.19Å
152G98.9Very high98.6Very high0 Ų016 Ų160%011%0.105CC..EExtended strand (participates in β ladder)trans-109.2127.8-17700000112.2G156 T175 L177G152-G156 VanDerWaalsContact CA-C 3.4Å; G152-G156 WeakPolarHBondContact CA-O 3.46Å; G152-T175 PolarHBondContact N-O 3.12Å; G152-L177 PolarHBondContact O-N 3.5Å
153V98.8Very high98.7Very high7 Ų713.2 Ų13.24%0.0428%0.077CC..EExtended strand (participates in β ladder)trans-105.8130178.4-173.60000110.4V75 H76 G77 W87 L155 G156 L177 V252V75-V153 PolarHBondContact O-N 3.26Å; H76-V153 CarbonylContact C-O 3.53Å; G77-V153 VanDerWaalsContact CA-O 3.29Å; G77-V153 WeakPolarHBondContact CA-O 3.25Å; G77-V153 PolarHBondContact N-O 3.09Å; W87-V153 HydrophobicContact CH2-CB 4.32Å; W87-V153 HydrophobicContact CH2-CG2 3.61Å; W87-V153 HydrophobicContact CZ2-CB 4.17Å; W87-V153 HydrophobicContact CZ2-CG1 4.12Å; W87-V153 HydrophobicContact CZ2-CG2 3.78Å; W87-V153 HydrophobicContact CZ3-CG2 4.4Å; V153-L155 PolarHBondContact O-N 3.44Å; V153-G156 WeakPolarHBondContact O-CA 3.43Å; V153-G156 PolarHBondContact O-N 3.1Å; V153-L177 WeakPolarHBondContact CA-O 3.49Å; V153-L177 HydrophobicContact CB-CB 4.47Å; V153-L177 HydrophobicContact CG2-CB 4.03Å; V153-L177 HydrophobicContact CG2-CD1 3.98Å; V153-V252 HydrophobicContact CG1-CG2 3.81Å; V153-V252 HydrophobicContact CG2-CG2 3.93Å
154S98.4Very high98.8Very high16 Ų1612.6 Ų12.611%0.1127%0.072CC..THydrogen-bonded Turntrans55.7-125.1179.3-1710000111.2G156 A157 L177 D178 A180 H248S154-G156 PolarHBondContact O-N 3.13Å; S154-G156 VanDerWaalsContact O-N 3.11Å; S154-A157 VanDerWaalsContact O-CB 3.32Å; S154-A157 WeakPolarHBondContact O-CB 3.49Å; S154-A157 PolarHBondContact O-N 3.01Å; S154-L177 PolarHBondContact N-O 3.38Å; S154-D178 VanDerWaalsContact CA-O 3.25Å; S154-D178 WeakPolarHBondContact CA-O 3.13Å; S154-D178 PolarHBondContact N-O 3.1Å; S154-A180 PolarHBondContact O-N 2.03Å; S154-H248 WeakPolarHBondContact CB-NE2 2.89Å; S154-H248 PolarHBondContact OG-NE2 3.41Å
155L98.8Very high98.8Very high0 Ų013.8 Ų13.80%07%0.073CC..Hα-helixtrans-52.8-28.4171.4-71.5-179.4000113.6F78 W108 Y117 A120 T124 V153 A157 H158 I159 A180 F184F78-L155 HydrophobicContact CB-CD1 3.81Å; F78-L155 HydrophobicContact CB-CG 4.35Å; W108-L155 HydrophobicContact CH2-CB 4.29Å; W108-L155 HydrophobicContact CH2-CD1 3.87Å; W108-L155 HydrophobicContact CZ2-CB 4.16Å; W108-L155 HydrophobicContact CZ2-CD1 4.47Å; Y117-L155 HydrophobicContact CE2-CD1 4.21Å; Y117-L155 HydrophobicContact CE2-CD2 4.24Å; Y117-L155 HydrophobicContact CE2-CG 4.27Å; Y117-L155 WeakPolarHBondContact OH-CD2 3.4Å; A120-L155 HydrophobicContact CB-CD1 4.07Å; T124-L155 HydrophobicContact CG2-CB 4.22Å; T124-L155 HydrophobicContact CG2-CD1 4.48Å; T124-L155 HydrophobicContact CG2-CD2 4.18Å; V153-L155 PolarHBondContact O-N 3.44Å; L155-A157 PolarHBondContact O-N 3.34Å; L155-H158 PolarHBondContact O-N 3.21Å; L155-I159 WeakPolarHBondContact O-CG1 3.41Å; L155-I159 PolarHBondContact O-N 2.86Å; L155-A180 HydrophobicContact CD2-CB 4.1Å; L155-A180 HydrophobicContact CG-CB 4.4Å; L155-F184 HydrophobicContact CD2-CD2 4.42Å; L155-F184 HydrophobicContact CD2-CE2 3.38Å; L155-F184 HydrophobicContact CD2-CZ 3.82Å
156G98.9Very high98.8Very high0 Ų015 Ų150%08%0.078CC..Hα-helixtrans-64-26.9177.200000113.7H76 G152 V153 S154 I159 S160H76-G156 WeakPolarHBondContact O-CA 3.42Å; G152-G156 VanDerWaalsContact CA-C 3.4Å; G152-G156 WeakPolarHBondContact CA-O 3.46Å; V153-G156 WeakPolarHBondContact O-CA 3.43Å; V153-G156 PolarHBondContact O-N 3.1Å; S154-G156 PolarHBondContact O-N 3.13Å; S154-G156 VanDerWaalsContact O-N 3.11Å; G156-I159 PolarHBondContact O-N 2.6Å; G156-S160 PolarHBondContact O-N 3.36Å; G156-S160 PolarHBondContact O-OG 2.99Å
157A98.9Very high98.8Very high0 Ų010.8 Ų10.80%06%0.055CC..Hα-helixtrans-64.4-45.9174.200000110.9S154 L155 S160 G161 P179 L193S154-A157 VanDerWaalsContact O-CB 3.32Å; S154-A157 WeakPolarHBondContact O-CB 3.49Å; S154-A157 PolarHBondContact O-N 3.01Å; L155-A157 PolarHBondContact O-N 3.34Å; A157-S160 WeakPolarHBondContact O-CB 3.46Å; A157-S160 PolarHBondContact O-N 2.81Å; A157-G161 PolarHBondContact O-N 3.39Å; A157-P179 HydrophobicContact CB-CB 3.65Å; A157-P179 HydrophobicContact CB-CG 3.69Å; A157-L193 HydrophobicContact CB-CD2 4.32Å
158H98.9Very high98.8Very high0 Ų014.7 Ų14.70%08%0.076CC..Hα-helixtrans-69.5-35.6176.3-58.1-47000112.6L155 S160 G161 F162 A180 F184 L193L155-H158 PolarHBondContact O-N 3.21Å; H158-S160 PolarHBondContact O-N 3.46Å; H158-G161 PolarHBondContact O-N 3.19Å; H158-F162 HydrophobicContact CB-CE2 4.16Å; H158-F162 HydrophobicContact CB-CZ 4.3Å; H158-F162 WeakPolarHBondContact O-CD2 3.43Å; H158-F162 WeakPolarHBondContact O-CG 3.45Å; H158-F162 PolarHBondContact O-N 2.99Å; H158-A180 PolarHBondContact NE2-N 3.49Å; H158-A180 PolarHBondContact NE2-O 2.91Å; H158-F184 HydrophobicContact CB-CD1 4.11Å; H158-F184 HydrophobicContact CB-CE1 3.61Å; H158-F184 HydrophobicContact CB-CZ 4.07Å; H158-F184 AromaticContact CD2-CD1 3.33Å; H158-F184 WeakPolarHBondContact CD2-CD1 3.11Å; H158-F184 AromaticContact CD2-CD2 3.46Å; H158-F184 VanDerWaalsContact CD2-CD2 3.46Å; H158-F184 WeakPolarHBondContact CD2-CD2 3.43Å; H158-F184 AromaticContact CD2-CE1 3.45Å; H158-F184 VanDerWaalsContact CD2-CE1 3.45Å; H158-F184 WeakPolarHBondContact CD2-CE1 3.45Å; H158-F184 AromaticContact CD2-CE2 3.62Å; H158-F184 AromaticContact CD2-CG 3.35Å; H158-F184 WeakPolarHBondContact CD2-CG 3.38Å; H158-F184 AromaticContact CD2-CZ 3.61Å; H158-F184 AromaticContact CE1-CD1 4Å; H158-F184 AromaticContact CE1-CG 3.98Å; H158-F184 AromaticContact CG-CD1 3.51Å; H158-F184 AromaticContact CG-CE1 3.51Å; H158-F184 AromaticContact CG-CG 4Å; H158-F184 AromaticContact ND1-CD1 3.93Å; H158-F184 AromaticContact NE2-CD1 3.7Å; H158-F184 AromaticContact NE2-CD2 3.69Å; H158-F184 AromaticContact NE2-CG 3.37Å; H158-F184 WeakPolarHBondContact NE2-CG 3.5Å; H158-L193 PolarHBondContact ND1-N 3.27Å
159I98.9Very high98.7Very high0 Ų015.1 Ų15.10%08%0.081CC..Hα-helixtrans-57.3-43.4170.4-66.8168.7000110.3V75 W108 T124 V127 A128 L131 L155 G156 F162 V163V75-I159 HydrophobicContact CG1-CB 4.06Å; V75-I159 HydrophobicContact CG1-CD1 4.05Å; V75-I159 HydrophobicContact CG1-CG2 3.91Å; W108-I159 HydrophobicContact CD2-CD1 4.27Å; W108-I159 HydrophobicContact CH2-CD1 4.34Å; W108-I159 HydrophobicContact CZ2-CD1 3.8Å; T124-I159 HydrophobicContact CG2-CD1 4.14Å; T124-I159 HydrophobicContact CG2-CG1 3.85Å; V127-I159 HydrophobicContact CB-CD1 4.08Å; V127-I159 HydrophobicContact CB-CG1 4.49Å; V127-I159 HydrophobicContact CB-CG2 4.21Å; V127-I159 HydrophobicContact CG1-CD1 4.1Å; V127-I159 HydrophobicContact CG1-CG2 3.89Å; V127-I159 HydrophobicContact CG2-CD1 4.41Å; A128-I159 HydrophobicContact CB-CG2 4.26Å; L131-I159 HydrophobicContact CD1-CG2 3.9Å; L155-I159 WeakPolarHBondContact O-CG1 3.41Å; L155-I159 PolarHBondContact O-N 2.86Å; G156-I159 PolarHBondContact O-N 2.6Å; I159-F162 PolarHBondContact O-N 3.5Å; I159-V163 WeakPolarHBondContact O-CG2 3.43Å; I159-V163 PolarHBondContact O-N 3.32Å; I159-V163 VanDerWaalsContact O-N 3.1Å
160S98.9Very high98.7Very high0 Ų020 Ų200%010%0.104CC..Hα-helixtrans-65.4-42.6177.9-52.40000111.5G156 A157 H158 V163 G164G156-S160 PolarHBondContact O-N 3.36Å; G156-S160 PolarHBondContact O-OG 2.99Å; A157-S160 WeakPolarHBondContact O-CB 3.46Å; A157-S160 PolarHBondContact O-N 2.81Å; H158-S160 PolarHBondContact O-N 3.46Å; S160-V163 PolarHBondContact O-N 2.97Å; S160-G164 PolarHBondContact O-N 2.96Å
161G98.9Very high98.7Very high0 Ų020 Ų200%010%0.104CC..Hα-helixtrans-57.1-48.517300000112.7A157 H158 V163 G164 E165 D197A157-G161 PolarHBondContact O-N 3.39Å; H158-G161 PolarHBondContact O-N 3.19Å; G161-V163 VanDerWaalsContact C-N 3.28Å; G161-V163 PolarHBondContact O-N 3.1Å; G161-G164 CarbonylContact O-C 3.6Å; G161-G164 WeakPolarHBondContact O-CA 3.49Å; G161-G164 PolarHBondContact O-N 2.93Å; G161-E165 PolarHBondContact O-N 3.11Å; G161-D197 WeakPolarHBondContact CA-OD2 3.41Å
162F98.9Very high98.7Very high6 Ų620.4 Ų20.43%0.02611%0.107CC..Hα-helixtrans-60.2-34.8175.8-59.9-35.1000113.4T124 R125 A128 H158 I159 M166 F184 Q190 D191T124-F162 WeakPolarHBondContact OG1-CE2 3.36Å; R125-F162 HydrophobicContact CG-CD2 3.82Å; R125-F162 HydrophobicContact CG-CE2 3.87Å; R125-F162 HydrophobicContact CG-CG 4.22Å; R125-F162 HydrophobicContact CG-CZ 4.28Å; A128-F162 HydrophobicContact CB-CB 3.63Å; H158-F162 HydrophobicContact CB-CE2 4.16Å; H158-F162 HydrophobicContact CB-CZ 4.3Å; H158-F162 WeakPolarHBondContact O-CD2 3.43Å; H158-F162 WeakPolarHBondContact O-CG 3.45Å; H158-F162 PolarHBondContact O-N 2.99Å; I159-F162 PolarHBondContact O-N 3.5Å; F162-M166 VanDerWaalsContact O-CE 3.25Å; F162-M166 WeakPolarHBondContact O-CE 3.4Å; F162-M166 VanDerWaalsContact O-CG 3.3Å; F162-M166 WeakPolarHBondContact O-CG 3.39Å; F162-M166 PolarHBondContact O-N 2.86Å; F162-F184 HydrophobicContact CE2-CE1 4.49Å; F162-F184 HydrophobicContact CZ-CE1 4.09Å; F162-Q190 WeakPolarHBondContact CE1-O 3.37Å; F162-D191 VanDerWaalsContact CE1-C 3.5Å
163V98.9Very high98.7Very high0 Ų020.8 Ų20.80%011%0.109CC..Hα-helixtrans-65.3-45.5172.5178.30000110.1A128 L131 I135 M150 I159 S160 G161 M166 Y167 L171A128-V163 HydrophobicContact CB-CG2 3.77Å; L131-V163 HydrophobicContact CB-CG2 3.82Å; L131-V163 HydrophobicContact CD1-CG2 4.1Å; I135-V163 HydrophobicContact CD1-CG1 3.75Å; M150-V163 HydrophobicContact CE-CB 4.15Å; M150-V163 HydrophobicContact CE-CG1 4.39Å; M150-V163 HydrophobicContact CE-CG2 4.03Å; M150-V163 HydrophobicContact SD-CB 3.78Å; M150-V163 HydrophobicContact SD-CG1 3.81Å; M150-V163 HydrophobicContact SD-CG2 4.34Å; I159-V163 WeakPolarHBondContact O-CG2 3.43Å; I159-V163 PolarHBondContact O-N 3.32Å; I159-V163 VanDerWaalsContact O-N 3.1Å; S160-V163 PolarHBondContact O-N 2.97Å; G161-V163 VanDerWaalsContact C-N 3.28Å; G161-V163 PolarHBondContact O-N 3.1Å; V163-M166 HydrophobicContact CG2-CE 4.33Å; V163-M166 PolarHBondContact O-N 3.3Å; V163-Y167 HydrophobicContact CG1-CD2 4.06Å; V163-Y167 HydrophobicContact CG1-CE2 3.89Å; V163-Y167 VanDerWaalsContact O-CD2 3.22Å; V163-Y167 WeakPolarHBondContact O-CD2 3.45Å; V163-Y167 PolarHBondContact O-N 2.97Å; V163-L171 HydrophobicContact CG1-CD1 4.12Å
164G98.8Very high98.7Very high0 Ų020.5 Ų20.50%011%0.107CC..Hα-helixtrans-56.5-48.3175.800000114.6S160 G161 M166 Y167 D168 G169 D197S160-G164 PolarHBondContact O-N 2.96Å; G161-G164 CarbonylContact O-C 3.6Å; G161-G164 WeakPolarHBondContact O-CA 3.49Å; G161-G164 PolarHBondContact O-N 2.93Å; G164-M166 VanDerWaalsContact C-N 3.28Å; G164-M166 PolarHBondContact O-N 3.49Å; G164-Y167 CarbonylContact O-C 3.48Å; G164-Y167 PolarHBondContact O-N 2.85Å; G164-D168 PolarHBondContact O-N 3.34Å; G164-G169 PolarHBondContact O-N 3.26Å; G164-D197 CarbonylContact C-O 3.57Å; G164-D197 WeakPolarHBondContact CA-O 3.38Å
165E98.5Very high98.7Very high68 Ų6819.7 Ų19.732%0.31810%0.101SC..Hα-helixtrans-50.9-47.4173.1-173.6-150170.500111.2R125 G161 Y167 D168R125-E165 IonicContact NH1-OE2 3.59Å; R125-E165 PolarHBondContact NH1-OE2 3.34Å; G161-E165 PolarHBondContact O-N 3.11Å; E165-Y167 PolarHBondContact O-N 3.23Å; E165-Y167 VanDerWaalsContact O-N 3.13Å; E165-D168 PolarHBondContact O-N 2.98Å
166M98.7Very high98.7Very high52 Ų5219.7 Ų19.726%0.25610%0.101SC..THydrogen-bonded Turntrans-71.4-4.1-178.7-65.6-177-70.800114.7A128 L129 K132 F162 V163 G164A128-M166 HydrophobicContact CB-CE 3.79Å; A128-M166 WeakPolarHBondContact O-CE 3.45Å; L129-M166 HydrophobicContact CD2-SD 3.76Å; L129-M166 HydrophobicContact CG-SD 4.5Å; K132-M166 HydrophobicContact CB-CE 3.79Å; K132-M166 HydrophobicContact CB-SD 4.35Å; K132-M166 HydrophobicContact CD-CB 3.83Å; K132-M166 HydrophobicContact CD-CE 4.16Å; K132-M166 HydrophobicContact CD-CG 4.32Å; K132-M166 HydrophobicContact CD-SD 3.67Å; K132-M166 PolarHBondContact NZ-O 2.85Å; F162-M166 VanDerWaalsContact O-CE 3.25Å; F162-M166 WeakPolarHBondContact O-CE 3.4Å; F162-M166 VanDerWaalsContact O-CG 3.3Å; F162-M166 WeakPolarHBondContact O-CG 3.39Å; F162-M166 PolarHBondContact O-N 2.86Å; V163-M166 HydrophobicContact CG2-CE 4.33Å; V163-M166 PolarHBondContact O-N 3.3Å; G164-M166 VanDerWaalsContact C-N 3.28Å; G164-M166 PolarHBondContact O-N 3.49Å
167Y98.6Very high98.7Very high13 Ų1319.7 Ų19.75%0.05110%0.101CC..THydrogen-bonded Turntrans-115.917.3171.5-71.1-69.2000112K132 I135 D136 L139 L145 V163 G164 E165 G169 Q170 L171K132-Y167 HydrophobicContact CG-CE2 4.32Å; K132-Y167 PolarHBondContact O-OH 2.77Å; K132-Y167 VanDerWaalsContact O-OH 3.04Å; I135-Y167 HydrophobicContact CB-CE2 4.26Å; I135-Y167 VanDerWaalsContact CB-OH 3.3Å; I135-Y167 WeakPolarHBondContact CB-OH 3.41Å; I135-Y167 HydrophobicContact CD1-CE2 4.3Å; I135-Y167 HydrophobicContact CG2-CE1 4.49Å; I135-Y167 HydrophobicContact CG2-CE2 3.93Å; I135-Y167 VanDerWaalsContact CG2-OH 3.25Å; I135-Y167 WeakPolarHBondContact CG2-OH 3.4Å; D136-Y167 PolarHBondContact N-OH 3.3Å; D136-Y167 WeakPolarHBondContact OD1-CE1 3.48Å; D136-Y167 PolarHBondContact OD1-OH 3.28Å; L139-Y167 HydrophobicContact CD1-CE1 3.97Å; L145-Y167 HydrophobicContact CD1-CD1 3.97Å; L145-Y167 HydrophobicContact CD1-CG 4.35Å; L145-Y167 HydrophobicContact CD2-CD1 3.96Å; L145-Y167 HydrophobicContact CD2-CD2 4.46Å; L145-Y167 HydrophobicContact CD2-CE1 4.12Å; L145-Y167 HydrophobicContact CD2-CG 4.14Å; V163-Y167 HydrophobicContact CG1-CD2 4.06Å; V163-Y167 HydrophobicContact CG1-CE2 3.89Å; V163-Y167 VanDerWaalsContact O-CD2 3.22Å; V163-Y167 WeakPolarHBondContact O-CD2 3.45Å; V163-Y167 PolarHBondContact O-N 2.97Å; G164-Y167 CarbonylContact O-C 3.48Å; G164-Y167 PolarHBondContact O-N 2.85Å; E165-Y167 PolarHBondContact O-N 3.23Å; E165-Y167 VanDerWaalsContact O-N 3.13Å; Y167-G169 PolarHBondContact O-N 3Å; Y167-Q170 VanDerWaalsContact O-CB 3.28Å; Y167-Q170 WeakPolarHBondContact O-CB 3.21Å; Y167-Q170 WeakPolarHBondContact O-CG 3.18Å; Y167-Q170 PolarHBondContact O-N 3.35Å; Y167-Q170 VanDerWaalsContact O-N 3.09Å; Y167-Q170 PolarHBondContact O-NE2 2.78Å; Y167-Q170 VanDerWaalsContact O-NE2 3.15Å; Y167-L171 HydrophobicContact CD2-CD2 3.73Å; Y167-L171 HydrophobicContact CD2-CG 4.45Å; Y167-L171 HydrophobicContact CE2-CD2 4.38Å; Y167-L171 HydrophobicContact CG-CD2 4.22Å
168D98.1Very high98.7Very high144 Ų14419.7 Ų19.777%0.7710%0.101SC*.THydrogen-bonded Turntrans54.237.4-179.9-55.4-57.8000112.6G164 E165 Q170G164-D168 PolarHBondContact O-N 3.34Å; E165-D168 PolarHBondContact O-N 2.98Å; D168-Q170 VanDerWaalsContact C-N 3.28Å; D168-Q170 PolarHBondContact O-N 3.08Å
169G97.9Very high98.7Very high11 Ų1119.7 Ų19.711%0.11310%0.101CC..THydrogen-bonded Turntrans76.29.7178.300000115.4G164 Y167 L171 S196 A198 Q199G164-G169 PolarHBondContact O-N 3.26Å; Y167-G169 PolarHBondContact O-N 3Å; G169-L171 VanDerWaalsContact C-N 3.3Å; G169-L171 PolarHBondContact O-N 3.43Å; G169-S196 WeakPolarHBondContact CA-O 3.27Å; G169-A198 CarbonylContact O-C 3.58Å; G169-A198 WeakPolarHBondContact O-CA 3.38Å; G169-Q199 PolarHBondContact O-N 2.78Å; G169-Q199 VanDerWaalsContact O-N 3.08Å
170Q98.5Very high98.7Very high104 Ų10419.8 Ų19.849%0.48610%0.102SC..  trans-80.5-6.3-173.4-68.2178.888.800114.5L145 Y167 D168 Q199L145-Q170 HydrophobicContact CD1-CB 3.72Å; Y167-Q170 VanDerWaalsContact O-CB 3.28Å; Y167-Q170 WeakPolarHBondContact O-CB 3.21Å; Y167-Q170 WeakPolarHBondContact O-CG 3.18Å; Y167-Q170 PolarHBondContact O-N 3.35Å; Y167-Q170 VanDerWaalsContact O-N 3.09Å; Y167-Q170 PolarHBondContact O-NE2 2.78Å; Y167-Q170 VanDerWaalsContact O-NE2 3.15Å; D168-Q170 VanDerWaalsContact C-N 3.28Å; D168-Q170 PolarHBondContact O-N 3.08Å; Q170-Q199 PolarHBondContact O-NE2 2.7Å
171L98.7Very high98.6Very high0 Ų019.9 Ų19.90%010%0.103CC..SBendtrans-56.7141.8173.5-59.6-171.1000110.8L145 I148 M150 V163 Y167 G169 R173 I174 A198 Q199L145-L171 HydrophobicContact CD2-CD2 3.88Å; I148-L171 HydrophobicContact CB-CD2 4.19Å; I148-L171 HydrophobicContact CG2-CD2 3.99Å; M150-L171 HydrophobicContact CG-CD1 4.3Å; M150-L171 HydrophobicContact SD-CD1 3.72Å; V163-L171 HydrophobicContact CG1-CD1 4.12Å; Y167-L171 HydrophobicContact CD2-CD2 3.73Å; Y167-L171 HydrophobicContact CD2-CG 4.45Å; Y167-L171 HydrophobicContact CE2-CD2 4.38Å; Y167-L171 HydrophobicContact CG-CD2 4.22Å; G169-L171 VanDerWaalsContact C-N 3.3Å; G169-L171 PolarHBondContact O-N 3.43Å; L171-R173 PolarHBondContact O-N 2.9Å; L171-I174 HydrophobicContact CD1-CD1 4.25Å; L171-I174 HydrophobicContact CD1-CG1 4.36Å; L171-A198 HydrophobicContact CB-CB 4.07Å; L171-A198 WeakPolarHBondContact O-CA 3.22Å; L171-A198 WeakPolarHBondContact O-CB 3.44Å; L171-Q199 WeakPolarHBondContact O-CG 3.35Å; L171-Q199 PolarHBondContact O-N 3.3Å
172G98.5Very high98.5Very high7 Ų722.3 Ų22.37%0.07212%0.118CC..SBendtrans-59.5-46.3-177.800000113.3L145 D146 I148L145-G172 PolarHBondContact O-N 2.69Å; D146-G172 WeakPolarHBondContact O-CA 3.28Å; I148-G172 PolarHBondContact O-N 2.87Å
173R98.7Very high98.4Very high9 Ų926.3 Ų26.33%0.03414%0.14CC..EExtended strand (participates in β ladder)trans-156.8146.7178.8-175.5176.3174.7-175.1-8.3113.4I148 Y149 M150 L171 T175 F200 D202 G296 Y297 D300I148-R173 PolarHBondContact O-N 3.04Å; Y149-R173 WeakPolarHBondContact CA-O 3.3Å; Y149-R173 HydrophobicContact CD2-CB 3.62Å; Y149-R173 HydrophobicContact CD2-CG 3.7Å; Y149-R173 WeakPolarHBondContact CD2-O 3.24Å; Y149-R173 HydrophobicContact CE2-CB 4.03Å; Y149-R173 HydrophobicContact CE2-CG 3.54Å; Y149-R173 HydrophobicContact CG-CB 4.42Å; M150-R173 PolarHBondContact N-O 2.91Å; L171-R173 PolarHBondContact O-N 2.9Å; R173-T175 PolarHBondContact NE-OG1 2.76Å; R173-F200 CarbonylContact C-O 3.58Å; R173-F200 VanDerWaalsContact CA-O 3.23Å; R173-F200 WeakPolarHBondContact CA-O 3.27Å; R173-F200 HydrophobicContact CG-CD1 3.93Å; R173-F200 WeakPolarHBondContact CG-O 3.37Å; R173-D202 IonicContact CZ-OD1 3.41Å; R173-D202 IonicContact CZ-OD2 3.84Å; R173-D202 IonicContact NE-OD1 3.72Å; R173-D202 PolarHBondContact NE-OD1 2.92Å; R173-D202 IonicContact NE-OD2 3.15Å; R173-D202 VanDerWaalsContact NH2-CG 3.27Å; R173-D202 IonicContact NH2-OD1 3.5Å; R173-D202 PolarHBondContact NH2-OD1 3.29Å; R173-D202 VanDerWaalsContact NH2-OD1 3.15Å; R173-D202 IonicContact NH2-OD2 3.28Å; R173-D202 PolarHBondContact NH2-OD2 2.93Å; R173-G296 PolarHBondContact NH2-O 3.23Å; R173-Y297 PolarHBondContact NH1-O 2.56Å; R173-D300 IonicContact NH1-OD1 3.5Å; R173-D300 PolarHBondContact NH1-OD1 3.09Å; R173-D300 IonicContact NH1-OD2 2.8Å; R173-D300 PolarHBondContact NH1-OD2 2.89Å; R173-D300 VanDerWaalsContact NH1-OD2 3.15Å
174I98.9Very high98.4Very high0 Ų026.7 Ų26.70%014%0.141CC..EExtended strand (participates in β ladder)trans-124.2131.7163-64.6165.6000109.3M150 L171 L193 D197 A198 F200 V201 D202M150-I174 HydrophobicContact CB-CG1 4.26Å; M150-I174 CarbonylContact O-C 3.57Å; M150-I174 WeakPolarHBondContact O-CA 3.45Å; L171-I174 HydrophobicContact CD1-CD1 4.25Å; L171-I174 HydrophobicContact CD1-CG1 4.36Å; I174-L193 HydrophobicContact CD1-CD1 4.28Å; I174-L193 HydrophobicContact CG2-CD1 3.78Å; I174-D197 HydrophobicContact CD1-CB 3.73Å; I174-A198 HydrophobicContact CB-CB 4.27Å; I174-A198 HydrophobicContact CD1-CB 3.84Å; I174-A198 HydrophobicContact CG1-CB 3.8Å; I174-F200 PolarHBondContact N-O 3.12Å; I174-V201 HydrophobicContact CB-CG1 4.46Å; I174-V201 HydrophobicContact CB-CG2 4.32Å; I174-V201 VanDerWaalsContact O-CA 3.27Å; I174-V201 WeakPolarHBondContact O-CA 3.45Å; I174-D202 PolarHBondContact O-N 3.08Å
175T98.9Very high98.3Very high0 Ų029.7 Ų29.70%016%0.157CC..EExtended strand (participates in β ladder)trans-110.6119.4166.6-58.50000110.5Y149 M150 I151 G152 R173 L177 D202 Y255Y149-T175 VanDerWaalsContact CE2-OG1 3.28Å; Y149-T175 WeakPolarHBondContact CE2-OG1 3.41Å; Y149-T175 WeakPolarHBondContact OH-CB 3.41Å; Y149-T175 PolarHBondContact OH-OG1 2.78Å; M150-T175 PolarHBondContact O-N 3.46Å; I151-T175 WeakPolarHBondContact CA-O 3.38Å; G152-T175 PolarHBondContact N-O 3.12Å; R173-T175 PolarHBondContact NE-OG1 2.76Å; T175-L177 HydrophobicContact CG2-CD2 3.74Å; T175-L177 HydrophobicContact CG2-CG 4.26Å; T175-D202 CarbonylContact C-O 3.47Å; T175-D202 WeakPolarHBondContact CA-O 3.42Å; T175-D202 VanDerWaalsContact OG1-CG 3.28Å; T175-D202 PolarHBondContact OG1-OD1 2.86Å; T175-D202 PolarHBondContact OG1-OD2 3.23Å; T175-Y255 HydrophobicContact CG2-CD2 4.01Å; T175-Y255 HydrophobicContact CG2-CE2 3.87Å
176G98.9Very high98.1Very high0 Ų030.1 Ų30.10%018%0.18CC..EExtended strand (participates in β ladder)trans-91.2112.1173.600000111.4D202 V203 I204G176-D202 PolarHBondContact N-O 2.98Å; G176-V203 CarbonylContact O-C 3.34Å; G176-V203 VanDerWaalsContact O-CA 3.32Å; G176-V203 WeakPolarHBondContact O-CA 3.36Å; G176-V203 WeakPolarHBondContact O-CG1 3.42Å; G176-I204 PolarHBondContact O-N 3Å
177L98.9Very high98Very high0 Ų032.2 Ų32.20%019%0.188CC..EExtended strand (participates in β ladder)trans-98.298.8176-58.7-178.4000109.3I151 G152 V153 S154 T175 I204 V252 Y255I151-L177 HydrophobicContact CG2-CD1 3.45Å; I151-L177 VanDerWaalsContact CG2-CD1 3.45Å; I151-L177 HydrophobicContact CG2-CG 3.98Å; G152-L177 PolarHBondContact O-N 3.5Å; V153-L177 WeakPolarHBondContact CA-O 3.49Å; V153-L177 HydrophobicContact CB-CB 4.47Å; V153-L177 HydrophobicContact CG2-CB 4.03Å; V153-L177 HydrophobicContact CG2-CD1 3.98Å; S154-L177 PolarHBondContact N-O 3.38Å; T175-L177 HydrophobicContact CG2-CD2 3.74Å; T175-L177 HydrophobicContact CG2-CG 4.26Å; L177-I204 HydrophobicContact CD2-CB 4.4Å; L177-I204 HydrophobicContact CD2-CD1 3.72Å; L177-I204 HydrophobicContact CD2-CG1 4.17Å; L177-V252 HydrophobicContact CB-CG2 4.4Å; L177-V252 HydrophobicContact CD1-CG2 4.16Å; L177-Y255 HydrophobicContact CD1-CG 4.35Å; L177-Y255 HydrophobicContact CD2-CD2 3.93Å; L177-Y255 HydrophobicContact CD2-CG 4.13Å
178D98.8Very high97.9Very high0 Ų034.5 Ų34.50%020%0.204CC..SBendtrans44.770-173.1-143.511.6000112.3S154 I204 S206 D207 H248 S251S154-D178 VanDerWaalsContact CA-O 3.25Å; S154-D178 WeakPolarHBondContact CA-O 3.13Å; S154-D178 PolarHBondContact N-O 3.1Å; D178-I204 WeakPolarHBondContact CA-O 3.22Å; D178-I204 PolarHBondContact N-O 3.01Å; D178-S206 PolarHBondContact OD1-N 2.88Å; D178-S206 PolarHBondContact OD2-OG 3.43Å; D178-D207 PolarHBondContact OD1-N 2.89Å; D178-D207 WeakPolarHBondContact OD2-CB 3.29Å; D178-D207 PolarHBondContact OD2-N 3.47Å; D178-H248 PolarHBondContact O-CE1 3.24Å; D178-H248 PolarHBondContact O-NE2 3.38Å; D178-H248 VanDerWaalsContact OD2-CA 3.28Å; D178-H248 WeakPolarHBondContact OD2-CA 3.41Å; D178-H248 IonicContact OD2-CE1 2.8Å; D178-H248 IonicContact OD2-CG 3.61Å; D178-H248 IonicContact OD2-ND1 3.27Å; D178-S251 WeakPolarHBondContact CB-OG 3.37Å
179P98.9Very high97.8Very high0 Ų031.7 Ų31.70%019%0.186CC..  trans-53.4143179-2536000111.1A157 G181 L193 V203 G212 Y213 L217A157-P179 HydrophobicContact CB-CB 3.65Å; A157-P179 HydrophobicContact CB-CG 3.69Å; P179-G181 PolarHBondContact O-N 3.34Å; P179-L193 HydrophobicContact CG-CD2 4.22Å; P179-V203 HydrophobicContact CG-CG1 3.58Å; P179-G212 CarbonylContact O-C 3.51Å; P179-G212 WeakPolarHBondContact O-CA 3.42Å; P179-Y213 WeakPolarHBondContact O-CB 3.11Å; P179-Y213 PolarHBondContact O-N 2.85Å; P179-L217 HydrophobicContact CB-CD1 3.58Å; P179-L217 HydrophobicContact CG-CD1 3.67Å
180A98.4Very high97.7Very high2 Ų235.8 Ų35.82%0.01720%0.202CC..BIsolated β-bridgetrans-72.5124.2-173.200000112.3Y117 S154 L155 H158 F184 L211Y117-A180 WeakPolarHBondContact OH-CB 3.31Å; S154-A180 PolarHBondContact O-N 2.03Å; L155-A180 HydrophobicContact CD2-CB 4.1Å; L155-A180 HydrophobicContact CG-CB 4.4Å; H158-A180 PolarHBondContact NE2-N 3.49Å; H158-A180 PolarHBondContact NE2-O 2.91Å; A180-F184 WeakPolarHBondContact O-CB 3.41Å; A180-F184 WeakPolarHBondContact O-CD2 3.5Å; A180-L211 CarbonylContact C-O 3.51Å; A180-L211 WeakPolarHBondContact CA-O 3.29Å
181G97.6Very high97.7Very high1 Ų133.8 Ų33.81%0.0120%0.195CC..  trans-71.6-47.5177.100000114.9P179 L183 F184 N185 L211 G212P179-G181 PolarHBondContact O-N 3.34Å; G181-L183 PolarHBondContact O-N 3.42Å; G181-F184 PolarHBondContact O-N 3.47Å; G181-N185 VanDerWaalsContact CA-ND2 3.32Å; G181-N185 WeakPolarHBondContact CA-ND2 3.46Å; G181-N185 PolarHBondContact O-N 3.39Å; G181-N185 PolarHBondContact O-ND2 3.3Å; G181-L211 PolarHBondContact N-O 2.8Å; G181-G212 WeakPolarHBondContact CA-O 3.17Å
182P96.5Very high97.7Very high51 Ų5135.5 Ų35.533%0.33120%0.201SC..THydrogen-bonded Turntrans-58.9130.2-176-26.835000112.6Y117 F184 L211Y117-P182 HydrophobicContact CD1-CB 4.38Å; Y117-P182 HydrophobicContact CE1-CB 3.74Å; Y117-P182 VanDerWaalsContact CE1-O 3.23Å; Y117-P182 WeakPolarHBondContact CE1-O 3.23Å; Y117-P182 PolarHBondContact OH-O 3.48Å; P182-F184 WeakPolarHBondContact O-CD2 3.38Å; P182-F184 PolarHBondContact O-N 3.3Å; P182-L211 VanDerWaalsContact CD-O 3.26Å; P182-L211 WeakPolarHBondContact CD-O 3.22Å
183L97Very high97.7Very high90 Ų9035.2 Ų35.247%0.47120%0.198SC..THydrogen-bonded Turntrans71.5-9.2-174.1-51.5175.3000116.4Y117 T118 G181 K187Y117-L183 HydrophobicContact CD1-CD1 3.67Å; Y117-L183 HydrophobicContact CD1-CG 4.14Å; Y117-L183 HydrophobicContact CE1-CB 4.35Å; Y117-L183 HydrophobicContact CE1-CD1 3.62Å; Y117-L183 HydrophobicContact CE1-CG 3.84Å; T118-L183 HydrophobicContact CG2-CD1 3.77Å; T118-L183 HydrophobicContact CG2-CD2 4.45Å; G181-L183 PolarHBondContact O-N 3.42Å; L183-K187 VanDerWaalsContact O-CE 3.23Å; L183-K187 WeakPolarHBondContact O-CE 3.47Å; L183-K187 WeakPolarHBondContact O-CG 3.5Å
184F97.9Very high97.6Very high8 Ų835.8 Ų35.84%0.03520%0.202CC..THydrogen-bonded Turntrans-109.1-35.8179-63.4-88.9000112.7S121 L155 H158 F162 A180 G181 P182 G186 K187 D191 R192 Y213S121-F184 WeakPolarHBondContact OG-CE2 3.32Å; L155-F184 HydrophobicContact CD2-CD2 4.42Å; L155-F184 HydrophobicContact CD2-CE2 3.38Å; L155-F184 HydrophobicContact CD2-CZ 3.82Å; H158-F184 HydrophobicContact CB-CD1 4.11Å; H158-F184 HydrophobicContact CB-CE1 3.61Å; H158-F184 HydrophobicContact CB-CZ 4.07Å; H158-F184 AromaticContact CD2-CD1 3.33Å; H158-F184 WeakPolarHBondContact CD2-CD1 3.11Å; H158-F184 AromaticContact CD2-CD2 3.46Å; H158-F184 VanDerWaalsContact CD2-CD2 3.46Å; H158-F184 WeakPolarHBondContact CD2-CD2 3.43Å; H158-F184 AromaticContact CD2-CE1 3.45Å; H158-F184 VanDerWaalsContact CD2-CE1 3.45Å; H158-F184 WeakPolarHBondContact CD2-CE1 3.45Å; H158-F184 AromaticContact CD2-CE2 3.62Å; H158-F184 AromaticContact CD2-CG 3.35Å; H158-F184 WeakPolarHBondContact CD2-CG 3.38Å; H158-F184 AromaticContact CD2-CZ 3.61Å; H158-F184 AromaticContact CE1-CD1 4Å; H158-F184 AromaticContact CE1-CG 3.98Å; H158-F184 AromaticContact CG-CD1 3.51Å; H158-F184 AromaticContact CG-CE1 3.51Å; H158-F184 AromaticContact CG-CG 4Å; H158-F184 AromaticContact ND1-CD1 3.93Å; H158-F184 AromaticContact NE2-CD1 3.7Å; H158-F184 AromaticContact NE2-CD2 3.69Å; H158-F184 AromaticContact NE2-CG 3.37Å; H158-F184 WeakPolarHBondContact NE2-CG 3.5Å; F162-F184 HydrophobicContact CE2-CE1 4.49Å; F162-F184 HydrophobicContact CZ-CE1 4.09Å; A180-F184 WeakPolarHBondContact O-CB 3.41Å; A180-F184 WeakPolarHBondContact O-CD2 3.5Å; G181-F184 PolarHBondContact O-N 3.47Å; P182-F184 WeakPolarHBondContact O-CD2 3.38Å; P182-F184 PolarHBondContact O-N 3.3Å; F184-G186 PolarHBondContact O-N 3.13Å; F184-K187 WeakPolarHBondContact O-CB 3.17Å; F184-K187 WeakPolarHBondContact O-CG 3.27Å; F184-K187 PolarHBondContact O-N 3.1Å; F184-D191 VanDerWaalsContact CD1-O 3.25Å; F184-D191 WeakPolarHBondContact CD1-O 3.32Å; F184-R192 HydrophobicContact CD1-CB 4.18Å; F184-Y213 VanDerWaalsContact C-CE2 3.43Å; F184-Y213 HydrophobicContact CB-CD2 3.93Å; F184-Y213 HydrophobicContact CB-CE2 4.05Å; F184-Y213 VanDerWaalsContact O-CE2 3.31Å; F184-Y213 WeakPolarHBondContact O-CE2 3.14Å
185N96.5Very high97.6Very high64 Ų6436.6 Ų36.634%0.34221%0.207SC..THydrogen-bonded Turntrans-51126.1178.5-83.7-39.3000111.2G181 K187 Y213 K214G181-N185 VanDerWaalsContact CA-ND2 3.32Å; G181-N185 WeakPolarHBondContact CA-ND2 3.46Å; G181-N185 PolarHBondContact O-N 3.39Å; G181-N185 PolarHBondContact O-ND2 3.3Å; N185-K187 VanDerWaalsContact C-N 3.27Å; N185-K187 PolarHBondContact O-N 3.39Å; N185-Y213 VanDerWaalsContact CA-CE2 3.44Å; N185-Y213 HydrophobicContact CB-CE2 4.47Å; N185-Y213 WeakPolarHBondContact OD1-CD2 3.41Å; N185-K214 PolarHBondContact OD1-N 3.07Å; N185-K214 VanDerWaalsContact OD1-N 3.14Å
186G95.1Very high97.5Very high76 Ų7639.9 Ų39.978%0.78423%0.23SC*.THydrogen-bonded Turntrans76.36.5-179.400000115.1F184F184-G186 PolarHBondContact O-N 3.13Å
187K97.2Very high97.5Very high97 Ų9740.1 Ų40.142%0.42223%0.231SC..  trans-76.1151.2173.1-67.4-64.9-175.6174.80111.8L183 F184 N185 D191 R192L183-K187 VanDerWaalsContact O-CE 3.23Å; L183-K187 WeakPolarHBondContact O-CE 3.47Å; L183-K187 WeakPolarHBondContact O-CG 3.5Å; F184-K187 WeakPolarHBondContact O-CB 3.17Å; F184-K187 WeakPolarHBondContact O-CG 3.27Å; F184-K187 PolarHBondContact O-N 3.1Å; N185-K187 VanDerWaalsContact C-N 3.27Å; N185-K187 PolarHBondContact O-N 3.39Å; K187-D191 HydrophobicContact CB-CB 3.94Å; K187-D191 HydrophobicContact CG-CB 4.48Å; K187-R192 PolarHBondContact O-NE 3.04Å
188P97.1Very high97.4Very high61 Ų6140.4 Ų40.440%0.39623%0.234SC..  trans-61.1156172.428.7-35.8000110.5Q190 D191P188-Q190 VanDerWaalsContact C-N 3.26Å; P188-Q190 PolarHBondContact O-N 2.81Å; P188-Q190 VanDerWaalsContact O-N 3.15Å; P188-D191 HydrophobicContact CG-CB 4.19Å; P188-D191 PolarHBondContact O-N 3.06Å
189H95.4Very high97.4Very high84 Ų8443 Ų4339%0.38925%0.246SC..G310 helixtrans-49.2-40.7-177.461166.3000114.4D191 R192 D194H189-D191 PolarHBondContact O-N 2.72Å; H189-D191 VanDerWaalsContact O-N 3.08Å; H189-R192 PolarHBondContact O-N 3.39Å; H189-R192 VanDerWaalsContact O-O 3.06Å; H189-D194 HydrophobicContact CB-CB 3.98Å; H189-D194 WeakPolarHBondContact CB-OD2 3.49Å
190Q96.3Very high97.4Very high97 Ų9743.1 Ų43.145%0.45325%0.246SC..G310 helixtrans-61.4-22.2178.8-57.4117.7-6.100113.9R125 F162 P188R125-Q190 PolarHBondContact NH2-O 3.16Å; F162-Q190 WeakPolarHBondContact CE1-O 3.37Å; P188-Q190 VanDerWaalsContact C-N 3.26Å; P188-Q190 PolarHBondContact O-N 2.81Å; P188-Q190 VanDerWaalsContact O-N 3.15Å
191D97.3Very high97.4Very high62 Ų6243 Ų4333%0.33225%0.245SC..G310 helixtrans-101.89.2-174.9-80.1-29000113.3R125 F162 F184 K187 P188 H189R125-D191 IonicContact CZ-OD1 3.15Å; R125-D191 IonicContact NH2-OD1 3.99Å; R125-D191 PolarHBondContact NH2-OD1 3.07Å; F162-D191 VanDerWaalsContact CE1-C 3.5Å; F184-D191 VanDerWaalsContact CD1-O 3.25Å; F184-D191 WeakPolarHBondContact CD1-O 3.32Å; K187-D191 HydrophobicContact CB-CB 3.94Å; K187-D191 HydrophobicContact CG-CB 4.48Å; P188-D191 HydrophobicContact CG-CB 4.19Å; P188-D191 PolarHBondContact O-N 3.06Å; H189-D191 PolarHBondContact O-N 2.72Å; H189-D191 VanDerWaalsContact O-N 3.08Å
192R98.3Very high97.4Very high37 Ų3743 Ų4314%0.1425%0.245CC..SBendtrans-150.3-174.7179.955.1166.7176.375.1-0.2110.3F184 K187 H189 D194 Y213F184-R192 HydrophobicContact CD1-CB 4.18Å; K187-R192 PolarHBondContact O-NE 3.04Å; H189-R192 PolarHBondContact O-N 3.39Å; H189-R192 VanDerWaalsContact O-O 3.06Å; R192-D194 IonicContact CZ-OD2 3.95Å; R192-D194 IonicContact NH1-OD2 3.16Å; R192-D194 PolarHBondContact NH1-OD2 3.15Å; R192-D194 IonicContact NH2-OD2 2.73Å; R192-D194 PolarHBondContact NH2-OD2 3.48Å; R192-Y213 VanDerWaalsContact CD-OH 3.28Å; R192-Y213 WeakPolarHBondContact CD-OH 3.34Å; R192-Y213 PolarHBondContact NE-OH 3.36Å
193L98.8Very high97.5Very high0 Ų040.5 Ų40.50%023%0.229CC..  trans-72.4146.1166.9176.865.1000107.9A157 H158 I174 P179 D197 V201 V203 L217A157-L193 HydrophobicContact CB-CD2 4.32Å; H158-L193 PolarHBondContact ND1-N 3.27Å; I174-L193 HydrophobicContact CD1-CD1 4.28Å; I174-L193 HydrophobicContact CG2-CD1 3.78Å; P179-L193 HydrophobicContact CG-CD2 4.22Å; L193-D197 WeakPolarHBondContact CA-OD2 3.46Å; L193-D197 HydrophobicContact CD1-CB 4.41Å; L193-V201 HydrophobicContact CD1-CG1 4.06Å; L193-V201 HydrophobicContact CD2-CG1 4.15Å; L193-V201 HydrophobicContact CG-CG1 4.21Å; L193-V203 HydrophobicContact CD2-CG2 3.97Å; L193-L217 HydrophobicContact CD2-CB 4.34Å; L193-L217 HydrophobicContact CG-CB 4.43Å; L193-L217 WeakPolarHBondContact O-CD2 3.39Å
194D98.1Very high97.6Very high22 Ų2236.2 Ų36.212%0.11821%0.207CC..  trans-148.3153.8179.1-168-97.8000111.2H189 R192 S196 D197 L217H189-D194 HydrophobicContact CB-CB 3.98Å; H189-D194 WeakPolarHBondContact CB-OD2 3.49Å; R192-D194 IonicContact CZ-OD2 3.95Å; R192-D194 IonicContact NH1-OD2 3.16Å; R192-D194 PolarHBondContact NH1-OD2 3.15Å; R192-D194 IonicContact NH2-OD2 2.73Å; R192-D194 PolarHBondContact NH2-OD2 3.48Å; D194-S196 PolarHBondContact O-N 3.01Å; D194-S196 WeakPolarHBondContact OD1-CB 3.47Å; D194-S196 PolarHBondContact OD1-N 2.93Å; D194-S196 PolarHBondContact OD1-OG 2.72Å; D194-D197 PolarHBondContact N-OD2 3.02Å; D194-D197 WeakPolarHBondContact O-CB 3.11Å; D194-D197 PolarHBondContact O-N 3.37Å; D194-L217 CarbonylContact C-O 3.54Å; D194-L217 VanDerWaalsContact C-O 3.26Å
195P97.3Very high97.7Very high17 Ų1735.9 Ų35.911%0.1121%0.205CC..G310 helixtrans-59.9-19.8177.3-22.533.3000113.8D197 L217 G218 M313P195-D197 VanDerWaalsContact C-N 3.33Å; P195-L217 WeakPolarHBondContact CD-O 3.49Å; P195-L217 VanDerWaalsContact N-O 3.16Å; P195-G218 WeakPolarHBondContact CG-O 2.94Å; P195-M313 HydrophobicContact CG-CG 3.98Å; P195-M313 HydrophobicContact CG-SD 4.09Å
196S96.9Very high97.8Very high68 Ų6832.8 Ų32.848%0.47619%0.189SC..G310 helixtrans-79.3-7.8176.260.50000114.7G169 D194 A198G169-S196 WeakPolarHBondContact CA-O 3.27Å; D194-S196 PolarHBondContact O-N 3.01Å; D194-S196 WeakPolarHBondContact OD1-CB 3.47Å; D194-S196 PolarHBondContact OD1-N 2.93Å; D194-S196 PolarHBondContact OD1-OG 2.72Å; S196-A198 VanDerWaalsContact C-N 3.3Å; S196-A198 PolarHBondContact O-N 2.99Å
197D98.6Very high97.8Very high5 Ų529.5 Ų29.53%0.02715%0.153CC..G310 helixtrans-78.1-11.4-175.8-66.1-27.3000113.7G161 G164 I174 L193 D194 P195G161-D197 WeakPolarHBondContact CA-OD2 3.41Å; G164-D197 CarbonylContact C-O 3.57Å; G164-D197 WeakPolarHBondContact CA-O 3.38Å; I174-D197 HydrophobicContact CD1-CB 3.73Å; L193-D197 WeakPolarHBondContact CA-OD2 3.46Å; L193-D197 HydrophobicContact CD1-CB 4.41Å; D194-D197 PolarHBondContact N-OD2 3.02Å; D194-D197 WeakPolarHBondContact O-CB 3.11Å; D194-D197 PolarHBondContact O-N 3.37Å; P195-D197 VanDerWaalsContact C-N 3.33Å
198A98.5Very high97.8Very high7 Ų726 Ų266%0.05814%0.139CC..SBendtrans-152.6168174.200000110.8G169 L171 I174 S196 F200 V201G169-A198 CarbonylContact O-C 3.58Å; G169-A198 WeakPolarHBondContact O-CA 3.38Å; L171-A198 HydrophobicContact CB-CB 4.07Å; L171-A198 WeakPolarHBondContact O-CA 3.22Å; L171-A198 WeakPolarHBondContact O-CB 3.44Å; I174-A198 HydrophobicContact CB-CB 4.27Å; I174-A198 HydrophobicContact CD1-CB 3.84Å; I174-A198 HydrophobicContact CG1-CB 3.8Å; S196-A198 VanDerWaalsContact C-N 3.3Å; S196-A198 PolarHBondContact O-N 2.99Å; A198-F200 PolarHBondContact O-N 3.37Å; A198-F200 VanDerWaalsContact O-N 3.16Å; A198-V201 HydrophobicContact CB-CG2 3.85Å
199Q97.7Very high97.6Very high54 Ų5427.2 Ų27.225%0.25214%0.142SC..SBendtrans-63.6-20.6172.3-62.5178.740.800113.3D146 G169 Q170 L171 K303D146-Q199 PolarHBondContact OD1-NE2 3.19Å; G169-Q199 PolarHBondContact O-N 2.78Å; G169-Q199 VanDerWaalsContact O-N 3.08Å; Q170-Q199 PolarHBondContact O-NE2 2.7Å; L171-Q199 WeakPolarHBondContact O-CG 3.35Å; L171-Q199 PolarHBondContact O-N 3.3Å; Q199-K303 WeakPolarHBondContact O-CE 3.24Å; Q199-K303 VanDerWaalsContact OE1-NZ 3.07Å
200F98.2Very high97.5Very high2 Ų226 Ų261%0.00915%0.146CC..  trans-152.9122.8171.8-175.3-120.4000110.4R173 I174 A198 D202 N219 I220 A299 D300 K303 L306R173-F200 CarbonylContact C-O 3.58Å; R173-F200 VanDerWaalsContact CA-O 3.23Å; R173-F200 WeakPolarHBondContact CA-O 3.27Å; R173-F200 HydrophobicContact CG-CD1 3.93Å; R173-F200 WeakPolarHBondContact CG-O 3.37Å; I174-F200 PolarHBondContact N-O 3.12Å; A198-F200 PolarHBondContact O-N 3.37Å; A198-F200 VanDerWaalsContact O-N 3.16Å; F200-D202 HydrophobicContact CE1-CB 3.87Å; F200-D202 HydrophobicContact CZ-CB 3.99Å; F200-N219 WeakPolarHBondContact CA-OD1 3.17Å; F200-N219 HydrophobicContact CD2-CB 4.06Å; F200-N219 HydrophobicContact CE2-CB 4.06Å; F200-I220 HydrophobicContact CE2-CG2 4.08Å; F200-I220 HydrophobicContact CZ-CG2 3.72Å; F200-A299 HydrophobicContact CE1-CB 4.32Å; F200-A299 HydrophobicContact CZ-CB 4.44Å; F200-A299 WeakPolarHBondContact CZ-O 3.41Å; F200-D300 HydrophobicContact CD1-CB 3.84Å; F200-D300 HydrophobicContact CE1-CB 3.85Å; F200-K303 HydrophobicContact CB-CB 4.44Å; F200-K303 HydrophobicContact CB-CD 3.75Å; F200-K303 HydrophobicContact CB-CG 3.9Å; F200-K303 HydrophobicContact CD2-CB 3.92Å; F200-K303 HydrophobicContact CD2-CG 4.03Å; F200-K303 HydrophobicContact CE2-CB 4.34Å; F200-K303 HydrophobicContact CG-CB 4.07Å; F200-K303 HydrophobicContact CG-CD 4.26Å; F200-K303 HydrophobicContact CG-CG 4.05Å; F200-L306 HydrophobicContact CE2-CD1 3.87Å
201V98.7Very high97.4Very high0 Ų024.4 Ų24.40%014%0.141CC..EExtended strand (participates in β ladder)trans-117.2123175.3-175.30000109I174 L193 A198 V203 G218 N219 I220I174-V201 HydrophobicContact CB-CG1 4.46Å; I174-V201 HydrophobicContact CB-CG2 4.32Å; I174-V201 VanDerWaalsContact O-CA 3.27Å; I174-V201 WeakPolarHBondContact O-CA 3.45Å; L193-V201 HydrophobicContact CD1-CG1 4.06Å; L193-V201 HydrophobicContact CD2-CG1 4.15Å; L193-V201 HydrophobicContact CG-CG1 4.21Å; A198-V201 HydrophobicContact CB-CG2 3.85Å; V201-V203 HydrophobicContact CG1-CG2 4.07Å; V201-G218 CarbonylContact O-C 3.09Å; V201-G218 WeakPolarHBondContact O-CA 3.35Å; V201-N219 PolarHBondContact N-OD1 2.86Å; V201-N219 PolarHBondContact O-N 2.8Å; V201-I220 PolarHBondContact O-N 2.81Å
202D98.8Very high97.4Very high0 Ų021.5 Ų21.50%013%0.125CC..EExtended strand (participates in β ladder)trans-122.5135.3174.264.2-62.1000111.3R173 I174 T175 G176 F200 I220 F222 A299R173-D202 IonicContact CZ-OD1 3.41Å; R173-D202 IonicContact CZ-OD2 3.84Å; R173-D202 IonicContact NE-OD1 3.72Å; R173-D202 PolarHBondContact NE-OD1 2.92Å; R173-D202 IonicContact NE-OD2 3.15Å; R173-D202 VanDerWaalsContact NH2-CG 3.27Å; R173-D202 IonicContact NH2-OD1 3.5Å; R173-D202 PolarHBondContact NH2-OD1 3.29Å; R173-D202 VanDerWaalsContact NH2-OD1 3.15Å; R173-D202 IonicContact NH2-OD2 3.28Å; R173-D202 PolarHBondContact NH2-OD2 2.93Å; I174-D202 PolarHBondContact O-N 3.08Å; T175-D202 CarbonylContact C-O 3.47Å; T175-D202 WeakPolarHBondContact CA-O 3.42Å; T175-D202 VanDerWaalsContact OG1-CG 3.28Å; T175-D202 PolarHBondContact OG1-OD1 2.86Å; T175-D202 PolarHBondContact OG1-OD2 3.23Å; G176-D202 PolarHBondContact N-O 2.98Å; F200-D202 HydrophobicContact CE1-CB 3.87Å; F200-D202 HydrophobicContact CZ-CB 3.99Å; D202-I220 WeakPolarHBondContact CA-O 3.48Å; D202-I220 HydrophobicContact CB-CG2 3.69Å; D202-F222 HydrophobicContact CB-CE2 4.27Å; D202-A299 HydrophobicContact CB-CB 4.26Å
203V98.9Very high97.4Very high0 Ų020.1 Ų20.10%012%0.12CC..EExtended strand (participates in β ladder)trans-128.7136.2-170.9-172.90000110.8G176 P179 L193 V201 H205 L217 I220 D221 F222G176-V203 CarbonylContact O-C 3.34Å; G176-V203 VanDerWaalsContact O-CA 3.32Å; G176-V203 WeakPolarHBondContact O-CA 3.36Å; G176-V203 WeakPolarHBondContact O-CG1 3.42Å; P179-V203 HydrophobicContact CG-CG1 3.58Å; L193-V203 HydrophobicContact CD2-CG2 3.97Å; V201-V203 HydrophobicContact CG1-CG2 4.07Å; V203-H205 VanDerWaalsContact CG1-NE2 3.3Å; V203-H205 WeakPolarHBondContact CG1-NE2 3.29Å; V203-L217 HydrophobicContact CG2-CB 4Å; V203-I220 PolarHBondContact N-O 2.82Å; V203-D221 CarbonylContact O-C 3.56Å; V203-D221 WeakPolarHBondContact O-CA 3.01Å; V203-F222 WeakPolarHBondContact O-CB 3.46Å; V203-F222 WeakPolarHBondContact O-CD2 3.24Å; V203-F222 PolarHBondContact O-N 2.87Å
204I98.9Very high97.3Very high0 Ų025.4 Ų25.40%014%0.143CC..EExtended strand (participates in β ladder)trans-111113.2173.5-52.5178000108.4G176 L177 D178 F222 P224 L254 Y255 L295G176-I204 PolarHBondContact O-N 3Å; L177-I204 HydrophobicContact CD2-CB 4.4Å; L177-I204 HydrophobicContact CD2-CD1 3.72Å; L177-I204 HydrophobicContact CD2-CG1 4.17Å; D178-I204 WeakPolarHBondContact CA-O 3.22Å; D178-I204 PolarHBondContact N-O 3.01Å; I204-F222 HydrophobicContact CG1-CB 4.32Å; I204-F222 HydrophobicContact CG1-CD2 4.32Å; I204-P224 HydrophobicContact CG2-CG 4.11Å; I204-L254 HydrophobicContact CG2-CD1 4.41Å; I204-Y255 HydrophobicContact CD1-CD2 4.44Å; I204-L295 HydrophobicContact CD1-CD1 3.71Å; I204-L295 HydrophobicContact CD1-CG 4.33Å; I204-L295 HydrophobicContact CG1-CD1 3.91Å
205H98.8Very high97.3Very high0 Ų029.9 Ų29.90%016%0.163CC..  trans-97.2114.6179-66.4-94.2000109.9V203 I208 Y213 E215 D221 F222 Y223 P224 G227V203-H205 VanDerWaalsContact CG1-NE2 3.3Å; V203-H205 WeakPolarHBondContact CG1-NE2 3.29Å; H205-I208 HydrophobicContact CB-CG2 3.63Å; H205-Y213 PolarHBondContact CE1-O 3.02Å; H205-Y213 PolarHBondContact ND1-O 3.27Å; H205-E215 PolarHBondContact CE1-O 3.37Å; H205-D221 IonicContact NE2-OD1 3.55Å; H205-D221 PolarHBondContact NE2-OD1 3.22Å; H205-D221 VanDerWaalsContact NE2-OD1 3.16Å; H205-F222 PolarHBondContact N-O 3.24Å; H205-Y223 HydrophobicContact CB-CD1 3.59Å; H205-Y223 HydrophobicContact CB-CE1 3.64Å; H205-Y223 HydrophobicContact CB-CG 4.29Å; H205-Y223 AromaticContact CD2-CE1 3.82Å; H205-Y223 AromaticContact CD2-CZ 3.67Å; H205-Y223 AromaticContact CG-CE1 3.57Å; H205-Y223 AromaticContact CG-CZ 3.9Å; H205-Y223 AromaticContact NE2-CZ 3.99Å; H205-P224 VanDerWaalsContact O-CD 3.22Å; H205-P224 WeakPolarHBondContact O-CD 3.39Å; H205-P224 WeakPolarHBondContact O-CG 3.33Å; H205-G227 WeakPolarHBondContact O-CA 3.25Å
206S98.3Very high97.3Very high0 Ų030.4 Ų30.40%017%0.166CC..SBendtrans-124.8-8.3-175.948.20000115.2D178 G227 Q230 D247 S251D178-S206 PolarHBondContact OD1-N 2.88Å; D178-S206 PolarHBondContact OD2-OG 3.43Å; S206-G227 CarbonylContact C-O 3.59Å; S206-Q230 WeakPolarHBondContact O-CG 3.42Å; S206-Q230 PolarHBondContact O-NE2 3.19Å; S206-D247 VanDerWaalsContact CB-O 3.3Å; S206-D247 WeakPolarHBondContact CB-O 3.32Å; S206-D247 PolarHBondContact OG-O 3.25Å; S206-S251 WeakPolarHBondContact OG-CB 3.2Å; S206-S251 PolarHBondContact OG-N 3.41Å
207D96.8Very high97.3Very high6 Ų627.1 Ų27.13%0.03214%0.143CC..  trans-146.642.8-176.5-168.832.1000112.7D178 D209 A210 L211 G212 G227 D247 H248D178-D207 PolarHBondContact OD1-N 2.89Å; D178-D207 WeakPolarHBondContact OD2-CB 3.29Å; D178-D207 PolarHBondContact OD2-N 3.47Å; D207-D209 PolarHBondContact O-N 2.93Å; D207-A210 PolarHBondContact O-N 3.17Å; D207-A210 VanDerWaalsContact O-N 3.12Å; D207-A210 WeakPolarHBondContact OD1-CB 3.45Å; D207-L211 PolarHBondContact O-N 3.31Å; D207-L211 VanDerWaalsContact O-N 3.13Å; D207-L211 WeakPolarHBondContact OD2-CB 3.23Å; D207-L211 WeakPolarHBondContact OD2-CG 3.31Å; D207-L211 PolarHBondContact OD2-N 3.23Å; D207-G212 WeakPolarHBondContact O-CA 3.5Å; D207-G212 PolarHBondContact O-N 2.8Å; D207-G227 PolarHBondContact N-O 3.47Å; D207-D247 HydrophobicContact CB-CB 3.96Å; D207-H248 HydrophobicContact CB-CB 4.21Å
208I96.6Very high97.3Very high25 Ų2526.9 Ų26.913%0.12814%0.142CC..THydrogen-bonded Turntrans-69.1-16.7-169.272.6-177.4000114.3H205 Y213 K214 Y223 G227 L228H205-I208 HydrophobicContact CB-CG2 3.63Å; I208-Y213 WeakPolarHBondContact CG2-O 3.19Å; I208-K214 HydrophobicContact CB-CG 4.18Å; I208-K214 WeakPolarHBondContact O-CE 2.88Å; I208-K214 WeakPolarHBondContact O-CG 2.88Å; I208-Y223 HydrophobicContact CD1-CD1 4.26Å; I208-Y223 HydrophobicContact CD1-CE1 4.18Å; I208-Y223 HydrophobicContact CG2-CE1 4.43Å; I208-G227 WeakPolarHBondContact CG1-O 3.46Å; I208-G227 PolarHBondContact N-O 3.42Å; I208-L228 HydrophobicContact CD1-CD2 4.09Å; I208-L228 HydrophobicContact CG1-CD2 3.6Å
209D93.6Very high97.2Very high86 Ų8627.4 Ų27.446%0.4614%0.144SC..THydrogen-bonded Turntrans-89.2-7.8175.756.7-26.8000113.9D207 L228D207-D209 PolarHBondContact O-N 2.93Å; D209-L228 HydrophobicContact CB-CD2 3.68Å
210A92.4Very high97.2Very high57 Ų5724.8 Ų24.847%0.47113%0.132SC..THydrogen-bonded Turntrans-126.5-80.3172.600000113.8D207D207-A210 PolarHBondContact O-N 3.17Å; D207-A210 VanDerWaalsContact O-N 3.12Å; D207-A210 WeakPolarHBondContact OD1-CB 3.45Å
211L94.3Very high97.2Very high65 Ų6524.7 Ų24.734%0.3413%0.131SC..THydrogen-bonded Turntrans-101.1-21.5-171-57.1-176.4000114.6A180 G181 P182 D207 F244 H248A180-L211 CarbonylContact C-O 3.51Å; A180-L211 WeakPolarHBondContact CA-O 3.29Å; G181-L211 PolarHBondContact N-O 2.8Å; P182-L211 VanDerWaalsContact CD-O 3.26Å; P182-L211 WeakPolarHBondContact CD-O 3.22Å; D207-L211 PolarHBondContact O-N 3.31Å; D207-L211 VanDerWaalsContact O-N 3.13Å; D207-L211 WeakPolarHBondContact OD2-CB 3.23Å; D207-L211 WeakPolarHBondContact OD2-CG 3.31Å; D207-L211 PolarHBondContact OD2-N 3.23Å; L211-F244 WeakPolarHBondContact CD1-O 3.31Å; L211-H248 WeakPolarHBondContact CB-ND1 3.25Å; L211-H248 HydrophobicContact CD1-CB 4.09Å
212G97.1Very high97.2Very high0 Ų024.7 Ų24.70%013%0.131CC..BIsolated β-bridgetrans-78.2157.3-177.200000114.2P179 G181 D207P179-G212 CarbonylContact O-C 3.51Å; P179-G212 WeakPolarHBondContact O-CA 3.42Å; G181-G212 WeakPolarHBondContact CA-O 3.17Å; D207-G212 WeakPolarHBondContact O-CA 3.5Å; D207-G212 PolarHBondContact O-N 2.8Å
213Y98.3Very high97.2Very high9 Ų925.2 Ų25.24%0.03513%0.133CC..  trans-77.9135.9172.9-168.1-77.5000109.9P179 F184 N185 R192 H205 I208 E215 L217P179-Y213 WeakPolarHBondContact O-CB 3.11Å; P179-Y213 PolarHBondContact O-N 2.85Å; F184-Y213 VanDerWaalsContact C-CE2 3.43Å; F184-Y213 HydrophobicContact CB-CD2 3.93Å; F184-Y213 HydrophobicContact CB-CE2 4.05Å; F184-Y213 VanDerWaalsContact O-CE2 3.31Å; F184-Y213 WeakPolarHBondContact O-CE2 3.14Å; N185-Y213 VanDerWaalsContact CA-CE2 3.44Å; N185-Y213 HydrophobicContact CB-CE2 4.47Å; N185-Y213 WeakPolarHBondContact OD1-CD2 3.41Å; R192-Y213 VanDerWaalsContact CD-OH 3.28Å; R192-Y213 WeakPolarHBondContact CD-OH 3.34Å; R192-Y213 PolarHBondContact NE-OH 3.36Å; H205-Y213 PolarHBondContact CE1-O 3.02Å; H205-Y213 PolarHBondContact ND1-O 3.27Å; I208-Y213 WeakPolarHBondContact CG2-O 3.19Å; Y213-E215 VanDerWaalsContact CD1-O 3.24Å; Y213-E215 WeakPolarHBondContact CD1-O 3.45Å; Y213-E215 HydrophobicContact CE1-CB 3.85Å; Y213-E215 WeakPolarHBondContact CE1-O 3.36Å; Y213-L217 HydrophobicContact CD1-CD1 3.53Å; Y213-L217 HydrophobicContact CD1-CD2 3.74Å; Y213-L217 HydrophobicContact CD1-CG 3.57Å; Y213-L217 HydrophobicContact CD2-CD1 4.21Å; Y213-L217 HydrophobicContact CD2-CD2 4.4Å; Y213-L217 HydrophobicContact CE1-CD1 4.19Å; Y213-L217 HydrophobicContact CE1-CD2 3.49Å; Y213-L217 VanDerWaalsContact CE1-CD2 3.49Å; Y213-L217 HydrophobicContact CE1-CG 3.79Å; Y213-L217 HydrophobicContact CE2-CD2 4.16Å; Y213-L217 HydrophobicContact CG-CD1 3.58Å; Y213-L217 HydrophobicContact CG-CD2 4.22Å; Y213-L217 HydrophobicContact CG-CG 4.13Å
214K96.9Very high97.2Very high111 Ų11125.2 Ų25.248%0.48313%0.133SC..  trans-82.7-49-166.4-70.3178.4178.3-175.60114.6N185 I208 Y223N185-K214 PolarHBondContact OD1-N 3.07Å; N185-K214 VanDerWaalsContact OD1-N 3.14Å; I208-K214 HydrophobicContact CB-CG 4.18Å; I208-K214 WeakPolarHBondContact O-CE 2.88Å; I208-K214 WeakPolarHBondContact O-CG 2.88Å; K214-Y223 PolarHBondContact O-OH 3.29Å
215E96.8Very high97.1Very high116 Ų11626 Ų2654%0.54214%0.138SC..SBendtrans-83.6161.7-173.5-59-58.3143.100111.3H205 Y213H205-E215 PolarHBondContact CE1-O 3.37Å; Y213-E215 VanDerWaalsContact CD1-O 3.24Å; Y213-E215 WeakPolarHBondContact CD1-O 3.45Å; Y213-E215 HydrophobicContact CE1-CB 3.85Å; Y213-E215 WeakPolarHBondContact CE1-O 3.36Å
216P97.3Very high97Very high27 Ų2726.4 Ų26.418%0.17514%0.141CC..  trans-52.5138.8172.2-29.538.2000112.7D221 M313 K315P216-D221 WeakPolarHBondContact CA-OD1 3.37Å; P216-D221 HydrophobicContact CB-CB 4.48Å; P216-D221 WeakPolarHBondContact CB-OD2 3.16Å; P216-M313 HydrophobicContact CB-SD 4.38Å; P216-K315 HydrophobicContact CG-CD 4.31Å; P216-K315 HydrophobicContact CG-CG 4.07Å
217L97.9Very high96.9Very high0 Ų026.4 Ų26.40%014%0.141CC..  trans-128.2-11179.5-70.3174.5000112.8P179 L193 D194 P195 V203 Y213 D221P179-L217 HydrophobicContact CB-CD1 3.58Å; P179-L217 HydrophobicContact CG-CD1 3.67Å; L193-L217 HydrophobicContact CD2-CB 4.34Å; L193-L217 HydrophobicContact CG-CB 4.43Å; L193-L217 WeakPolarHBondContact O-CD2 3.39Å; D194-L217 CarbonylContact C-O 3.54Å; D194-L217 VanDerWaalsContact C-O 3.26Å; P195-L217 WeakPolarHBondContact CD-O 3.49Å; P195-L217 VanDerWaalsContact N-O 3.16Å; V203-L217 HydrophobicContact CG2-CB 4Å; Y213-L217 HydrophobicContact CD1-CD1 3.53Å; Y213-L217 HydrophobicContact CD1-CD2 3.74Å; Y213-L217 HydrophobicContact CD1-CG 3.57Å; Y213-L217 HydrophobicContact CD2-CD1 4.21Å; Y213-L217 HydrophobicContact CD2-CD2 4.4Å; Y213-L217 HydrophobicContact CE1-CD1 4.19Å; Y213-L217 HydrophobicContact CE1-CD2 3.49Å; Y213-L217 VanDerWaalsContact CE1-CD2 3.49Å; Y213-L217 HydrophobicContact CE1-CG 3.79Å; Y213-L217 HydrophobicContact CE2-CD2 4.16Å; Y213-L217 HydrophobicContact CG-CD1 3.58Å; Y213-L217 HydrophobicContact CG-CD2 4.22Å; Y213-L217 HydrophobicContact CG-CG 4.13Å; L217-D221 PolarHBondContact N-OD1 3.07Å
218G97.7Very high96.8Very high0 Ų029.5 Ų29.50%016%0.158CC..SBendtrans-120179.1-177.100000114.5P195 V201 D221 M313P195-G218 WeakPolarHBondContact CG-O 2.94Å; V201-G218 CarbonylContact O-C 3.09Å; V201-G218 WeakPolarHBondContact O-CA 3.35Å; G218-D221 PolarHBondContact N-OD1 2.68Å; G218-D221 PolarHBondContact N-OD2 2.78Å; G218-M313 WeakPolarHBondContact O-CG 2.92Å
219N97.6Very high96.7Very high17 Ų1732.2 Ų32.29%0.09117%0.172CC..SBendtrans-66.3-31.7164.3-58112.8000111.3F200 V201 L306 P312 M313 T314F200-N219 WeakPolarHBondContact CA-OD1 3.17Å; F200-N219 HydrophobicContact CD2-CB 4.06Å; F200-N219 HydrophobicContact CE2-CB 4.06Å; V201-N219 PolarHBondContact N-OD1 2.86Å; V201-N219 PolarHBondContact O-N 2.8Å; N219-L306 HydrophobicContact CB-CD1 4.32Å; N219-P312 WeakPolarHBondContact CA-O 3.1Å; N219-P312 PolarHBondContact ND2-O 2.81Å; N219-P312 VanDerWaalsContact ND2-O 3.16Å; N219-M313 CarbonylContact O-C 3.57Å; N219-M313 WeakPolarHBondContact O-CA 3.47Å; N219-T314 PolarHBondContact O-N 2.89Å
220I97.6Very high96.8Very high0 Ų028.3 Ų28.30%015%0.151CC..EExtended strand (participates in β ladder)trans-136.1134.5169.4-172.7164000111.2F200 V201 D202 V203 F222 P293 W302 L306 T314 A316F200-I220 HydrophobicContact CE2-CG2 4.08Å; F200-I220 HydrophobicContact CZ-CG2 3.72Å; V201-I220 PolarHBondContact O-N 2.81Å; D202-I220 WeakPolarHBondContact CA-O 3.48Å; D202-I220 HydrophobicContact CB-CG2 3.69Å; V203-I220 PolarHBondContact N-O 2.82Å; I220-F222 HydrophobicContact CD1-CE1 3.9Å; I220-F222 HydrophobicContact CD1-CE2 4.3Å; I220-F222 HydrophobicContact CD1-CZ 3.66Å; I220-F222 HydrophobicContact CG1-CE1 4.28Å; I220-F222 HydrophobicContact CG1-CE2 4.11Å; I220-F222 HydrophobicContact CG1-CZ 3.97Å; I220-F222 HydrophobicContact CG2-CE2 3.8Å; I220-F222 HydrophobicContact CG2-CZ 4.13Å; I220-P293 HydrophobicContact CD1-CB 3.55Å; I220-P293 HydrophobicContact CD1-CG 3.79Å; I220-W302 HydrophobicContact CD1-CE3 4.12Å; I220-L306 HydrophobicContact CB-CD1 3.75Å; I220-L306 HydrophobicContact CD1-CD1 4.49Å; I220-L306 HydrophobicContact CG2-CD1 4.12Å; I220-T314 CarbonylContact C-O 3.42Å; I220-T314 WeakPolarHBondContact CA-O 3.4Å; I220-A316 HydrophobicContact CD1-CB 4.25Å; I220-A316 HydrophobicContact CG1-CB 4.35Å
221D98.6Very high96.8Very high0 Ų027.5 Ų27.50%014%0.141CC..EExtended strand (participates in β ladder)trans-123.1113.6-176.8-60.4-94000109.1V203 H205 P216 L217 G218 Y223 T314 K315 A316V203-D221 CarbonylContact O-C 3.56Å; V203-D221 WeakPolarHBondContact O-CA 3.01Å; H205-D221 IonicContact NE2-OD1 3.55Å; H205-D221 PolarHBondContact NE2-OD1 3.22Å; H205-D221 VanDerWaalsContact NE2-OD1 3.16Å; P216-D221 WeakPolarHBondContact CA-OD1 3.37Å; P216-D221 HydrophobicContact CB-CB 4.48Å; P216-D221 WeakPolarHBondContact CB-OD2 3.16Å; L217-D221 PolarHBondContact N-OD1 3.07Å; G218-D221 PolarHBondContact N-OD1 2.68Å; G218-D221 PolarHBondContact N-OD2 2.78Å; D221-Y223 HydrophobicContact CB-CD2 4.36Å; D221-Y223 HydrophobicContact CB-CE2 3.58Å; D221-Y223 WeakPolarHBondContact O-CD2 3.32Å; D221-T314 PolarHBondContact N-O 3.42Å; D221-K315 CarbonylContact O-C 3.56Å; D221-K315 WeakPolarHBondContact O-CA 3.33Å; D221-A316 PolarHBondContact O-N 2.85Å
222F98.8Very high96.6Very high0 Ų027 Ų270%015%0.152CC..EExtended strand (participates in β ladder)trans-91.5124.6-179.1-64.8-78.4000110.1D202 V203 I204 H205 I220 P224 A267 P293 L295 A299 A316 F318D202-F222 HydrophobicContact CB-CE2 4.27Å; V203-F222 WeakPolarHBondContact O-CB 3.46Å; V203-F222 WeakPolarHBondContact O-CD2 3.24Å; V203-F222 PolarHBondContact O-N 2.87Å; I204-F222 HydrophobicContact CG1-CB 4.32Å; I204-F222 HydrophobicContact CG1-CD2 4.32Å; H205-F222 PolarHBondContact N-O 3.24Å; I220-F222 HydrophobicContact CD1-CE1 3.9Å; I220-F222 HydrophobicContact CD1-CE2 4.3Å; I220-F222 HydrophobicContact CD1-CZ 3.66Å; I220-F222 HydrophobicContact CG1-CE1 4.28Å; I220-F222 HydrophobicContact CG1-CE2 4.11Å; I220-F222 HydrophobicContact CG1-CZ 3.97Å; I220-F222 HydrophobicContact CG2-CE2 3.8Å; I220-F222 HydrophobicContact CG2-CZ 4.13Å; F222-P224 VanDerWaalsContact C-CD 3.47Å; F222-P224 VanDerWaalsContact O-CD 3.25Å; F222-P224 WeakPolarHBondContact O-CD 3.41Å; F222-A267 HydrophobicContact CD1-CB 3.59Å; F222-A267 HydrophobicContact CE1-CB 3.64Å; F222-P293 HydrophobicContact CE1-CB 4.24Å; F222-P293 HydrophobicContact CZ-CB 4.41Å; F222-L295 HydrophobicContact CB-CD1 3.76Å; F222-L295 HydrophobicContact CD1-CD1 3.84Å; F222-L295 HydrophobicContact CD2-CD1 4.03Å; F222-L295 HydrophobicContact CE1-CD1 4.42Å; F222-L295 HydrophobicContact CG-CD1 3.61Å; F222-A299 HydrophobicContact CE2-CB 3.87Å; F222-A299 HydrophobicContact CZ-CB 3.87Å; F222-A316 WeakPolarHBondContact CA-O 3.41Å; F222-A316 HydrophobicContact CD1-CB 4.07Å; F222-A316 HydrophobicContact CE1-CB 4.32Å; F222-F318 HydrophobicContact CB-CE1 4.04Å; F222-F318 HydrophobicContact CD1-CE1 4.07Å; F222-F318 HydrophobicContact CG-CE1 4.49Å
223Y98.6Very high96.3Very high10 Ų1027.6 Ų27.64%0.03916%0.156CC..EExtended strand (participates in β ladder)trans-117.574.9179-67-93000110.5H205 I208 K214 D221 N225 G226 K315 A316 F317H205-Y223 HydrophobicContact CB-CD1 3.59Å; H205-Y223 HydrophobicContact CB-CE1 3.64Å; H205-Y223 HydrophobicContact CB-CG 4.29Å; H205-Y223 AromaticContact CD2-CE1 3.82Å; H205-Y223 AromaticContact CD2-CZ 3.67Å; H205-Y223 AromaticContact CG-CE1 3.57Å; H205-Y223 AromaticContact CG-CZ 3.9Å; H205-Y223 AromaticContact NE2-CZ 3.99Å; I208-Y223 HydrophobicContact CD1-CD1 4.26Å; I208-Y223 HydrophobicContact CD1-CE1 4.18Å; I208-Y223 HydrophobicContact CG2-CE1 4.43Å; K214-Y223 PolarHBondContact O-OH 3.29Å; D221-Y223 HydrophobicContact CB-CD2 4.36Å; D221-Y223 HydrophobicContact CB-CE2 3.58Å; D221-Y223 WeakPolarHBondContact O-CD2 3.32Å; Y223-N225 PolarHBondContact O-N 3.38Å; Y223-G226 PolarHBondContact O-N 3.11Å; Y223-G226 VanDerWaalsContact O-N 3.1Å; Y223-K315 HydrophobicContact CD2-CB 4.31Å; Y223-K315 HydrophobicContact CE2-CB 4.09Å; Y223-K315 HydrophobicContact CE2-CD 4.26Å; Y223-K315 HydrophobicContact CE2-CG 3.98Å; Y223-A316 PolarHBondContact N-O 3.13Å; Y223-F317 VanDerWaalsContact CB-CE1 3.47Å; Y223-F317 HydrophobicContact CD2-CE1 4.02Å; Y223-F317 HydrophobicContact CD2-CZ 4.19Å; Y223-F317 HydrophobicContact CG-CD1 4.32Å; Y223-F317 AromaticContact CG-CE1 3.81Å; Y223-F317 HydrophobicContact CG-CE1 3.81Å; Y223-F317 HydrophobicContact CG-CZ 4.4Å
224P97.9Very high95.5Very high0 Ų029.1 Ų29.10%017%0.167CC..EExtended strand (participates in β ladder)trans-53.8127.4173.323.6-36.5000110.9I204 H205 F222 G226 G227 Q230 L254 F318 T320I204-P224 HydrophobicContact CG2-CG 4.11Å; H205-P224 VanDerWaalsContact O-CD 3.22Å; H205-P224 WeakPolarHBondContact O-CD 3.39Å; H205-P224 WeakPolarHBondContact O-CG 3.33Å; F222-P224 VanDerWaalsContact C-CD 3.47Å; F222-P224 VanDerWaalsContact O-CD 3.25Å; F222-P224 WeakPolarHBondContact O-CD 3.41Å; P224-G226 PolarHBondContact O-N 2.86Å; P224-G226 VanDerWaalsContact O-N 3.1Å; P224-G227 WeakPolarHBondContact O-CA 3.43Å; P224-G227 PolarHBondContact O-N 3.29Å; P224-Q230 PolarHBondContact O-NE2 3.18Å; P224-L254 HydrophobicContact CB-CD1 3.64Å; P224-L254 HydrophobicContact CG-CD1 3.65Å; P224-F318 HydrophobicContact CB-CD2 4.49Å; P224-F318 HydrophobicContact CB-CE1 4.39Å; P224-F318 HydrophobicContact CB-CE2 3.71Å; P224-F318 HydrophobicContact CB-CZ 3.64Å; P224-F318 HydrophobicContact CG-CZ 4.26Å; P224-T320 HydrophobicContact CB-CG2 4.16Å
225N97.1Very high94.4Very high17 Ų1731.3 Ų31.39%0.09118%0.177CC..G310 helixtrans55.927.6-180-46.8-70.5000113.1Y223 G227 Q230 P231 F318 D319 T320Y223-N225 PolarHBondContact O-N 3.38Å; N225-G227 VanDerWaalsContact C-N 3.32Å; N225-Q230 PolarHBondContact ND2-OE1 3.06Å; N225-P231 VanDerWaalsContact CG-CD 3.44Å; N225-P231 WeakPolarHBondContact ND2-CD 3.38Å; N225-F318 PolarHBondContact N-O 2.75Å; N225-D319 WeakPolarHBondContact OD1-CA 3.36Å; N225-T320 PolarHBondContact ND2-OG1 3.1Å; N225-T320 PolarHBondContact OD1-N 2.84Å
226G97Very high93Very high8 Ų829.4 Ų29.48%0.08217%0.173CC..G310 helixtrans85.5-0.3-175.500000114.6Y223 P224 L228 Y273Y223-G226 PolarHBondContact O-N 3.11Å; Y223-G226 VanDerWaalsContact O-N 3.1Å; P224-G226 PolarHBondContact O-N 2.86Å; P224-G226 VanDerWaalsContact O-N 3.1Å; G226-L228 VanDerWaalsContact C-N 3.32Å; G226-Y273 VanDerWaalsContact N-CE2 3.34Å
227G97.1Very high91.3Very high0 Ų033.3 Ų33.30%019%0.191CC..G310 helixtrans78.312.3-179.300000115H205 S206 D207 I208 P224 N225H205-G227 WeakPolarHBondContact O-CA 3.25Å; S206-G227 CarbonylContact C-O 3.59Å; D207-G227 PolarHBondContact N-O 3.47Å; I208-G227 WeakPolarHBondContact CG1-O 3.46Å; I208-G227 PolarHBondContact N-O 3.42Å; P224-G227 WeakPolarHBondContact O-CA 3.43Å; P224-G227 PolarHBondContact O-N 3.29Å; N225-G227 VanDerWaalsContact C-N 3.32Å
228L94.4Very high89.5Confident71 Ų7142.5 Ų42.537%0.37223%0.231SC..SBendtrans-104.7-132.3-179.7-54.2171.4000108.9I208 D209 G226 Q230I208-L228 HydrophobicContact CD1-CD2 4.09Å; I208-L228 HydrophobicContact CG1-CD2 3.6Å; D209-L228 HydrophobicContact CB-CD2 3.68Å; G226-L228 VanDerWaalsContact C-N 3.32Å; L228-Q230 PolarHBondContact O-N 3.32Å; L228-Q230 PolarHBondContact O-NE2 3.05Å
229D93.2Very high87.6Confident82 Ų8243.9 Ų43.944%0.43925%0.246SC..SBendtrans-57.2121.4176.5-61.1-54.4000113.9
230Q95.4Very high86.1Confident4 Ų444.7 Ų44.72%0.01926%0.259CS..PPolyproline II helixtrans-91.1137.2179.6-53.7-63.3-47.800111.2S206 P224 N225 L228 G232 C233 D247 R250S206-Q230 WeakPolarHBondContact O-CG 3.42Å; S206-Q230 PolarHBondContact O-NE2 3.19Å; P224-Q230 PolarHBondContact O-NE2 3.18Å; N225-Q230 PolarHBondContact ND2-OE1 3.06Å; L228-Q230 PolarHBondContact O-N 3.32Å; L228-Q230 PolarHBondContact O-NE2 3.05Å; Q230-G232 PolarHBondContact O-N 2.87Å; Q230-C233 WeakPolarHBondContact O-CB 3.33Å; Q230-C233 PolarHBondContact O-N 3.25Å; Q230-C233 VanDerWaalsContact O-N 3.09Å; Q230-D247 WeakPolarHBondContact CA-OD1 3.25Å; Q230-D247 WeakPolarHBondContact CB-OD1 3.2Å; Q230-D247 HydrophobicContact CG-CB 4.13Å; Q230-D247 WeakPolarHBondContact CG-OD1 3.47Å; Q230-D247 PolarHBondContact N-OD1 2.74Å; Q230-R250 HydrophobicContact CB-CB 4.18Å; Q230-R250 HydrophobicContact CB-CG 3.93Å; Q230-R250 HydrophobicContact CG-CB 3.75Å; Q230-R250 HydrophobicContact CG-CG 3.72Å
231P93.9Very high84.4Confident40 Ų4049 Ų4926%0.2628%0.277SS..THydrogen-bonded Turntrans-55.1134.4177-28.737.9000112.8N225 C233 R250 E322N225-P231 VanDerWaalsContact CG-CD 3.44Å; N225-P231 WeakPolarHBondContact ND2-CD 3.38Å; P231-C233 VanDerWaalsContact C-N 3.32Å; P231-R250 PolarHBondContact O-NH2 3.3Å; P231-E322 HydrophobicContact CB-CB 4Å; P231-E322 WeakPolarHBondContact O-CA 3.49Å
232G90.3Very high82.9Confident55 Ų5554.1 Ų54.157%0.56730%0.301SS*.THydrogen-bonded Turntrans85.3-7.5-176.300000115.2Q230Q230-G232 PolarHBondContact O-N 2.87Å
233C89.3Confident81Confident12 Ų1257.3 Ų57.38%0.08131%0.314CS..SBendtrans-84.3146.9174.6-67.80000112.6Q230 P231 K235 C246 D247 R250Q230-C233 WeakPolarHBondContact O-CB 3.33Å; Q230-C233 PolarHBondContact O-N 3.25Å; Q230-C233 VanDerWaalsContact O-N 3.09Å; P231-C233 VanDerWaalsContact C-N 3.32Å; C233-K235 PolarHBondContact O-N 3.31Å; C233-C246 WeakPolarHBondContact CA-SG 3.42Å; C233-C246 HydrophobicContact CB-CB 3.55Å; C233-C246 WeakPolarHBondContact CB-SG 3.44Å; C233-C246 WeakPolarHBondContact SG-CB 3.43Å; C233-C246 CovalentContact SG-SG 2.04Å; C233-C246 PolarHBondContact SG-SG 2.89Å; C233-D247 VanDerWaalsContact CB-OD1 3.24Å; C233-D247 WeakPolarHBondContact CB-OD1 3.36Å; C233-D247 PolarHBondContact SG-N 3.11Å; C233-D247 PolarHBondContact SG-OD1 3.13Å; C233-D247 VanDerWaalsContact SG-OD1 3.42Å; C233-R250 PolarHBondContact SG-NH2 2.67Å
234P81.4Confident79.4Confident42 Ų4261.6 Ų61.627%0.27333%0.333SS..  trans-60.7133.6176.4-20.132000110.6Q242 Y243P234-Q242 HydrophobicContact CG-CB 4.07Å; P234-Y243 WeakPolarHBondContact O-CD2 3.36Å
235K74.2Confident78.7Confident157 Ų15763.7 Ų63.768%0.68334%0.342SS*.  trans-95.41.9-178.6-59.2-169.8177.4-166.50114.9C233C233-K235 PolarHBondContact O-N 3.31Å
236T67.3Low78.3Confident75 Ų7564 Ų6446%0.4635%0.345SS..SBendtrans-137.3150.1-17770.20000111.3F238 G239 Y243T236-F238 PolarHBondContact O-N 2.85Å; T236-G239 PolarHBondContact O-N 2.91Å; T236-Y243 VanDerWaalsContact C-CE2 3.47Å; T236-Y243 VanDerWaalsContact N-CD2 3.33Å; T236-Y243 VanDerWaalsContact N-CE2 3.34Å; T236-Y243 WeakPolarHBondContact O-CB 3.5Å; T236-Y243 WeakPolarHBondContact O-CD2 3.3Å
237I61.8Low78.1Confident109 Ų10963.9 Ų63.956%0.55934%0.343SS*.G310 helixtrans-54.3-21.6175.660.3171.9000113.7G239 G240 Y243 F244I237-G239 PolarHBondContact O-N 3.19Å; I237-G240 PolarHBondContact O-N 2.73Å; I237-Y243 HydrophobicContact CG2-CD1 4Å; I237-Y243 HydrophobicContact CG2-CE1 3.63Å; I237-F244 HydrophobicContact CG2-CZ 4.42Å
238F60.7Low78Confident193 Ų19364.7 Ų64.785%0.84635%0.346SS*.G310 helixtrans-65.9-16.1173.7-59.2-66.3000113.1T236 G240T236-F238 PolarHBondContact O-N 2.85Å; F238-G240 PolarHBondContact O-N 3.4Å
239G57.4Low78.1Confident30 Ų3063 Ų6331%0.30934%0.337SS..G310 helixtrans-70-0.9168.200000114.1T236 I237 Q242T236-G239 PolarHBondContact O-N 2.91Å; I237-G239 PolarHBondContact O-N 3.19Å; G239-Q242 PolarHBondContact O-N 2.95Å
240G65.8Low78.2Confident34 Ų3459.8 Ų59.835%0.35132%0.318SS..G310 helixtrans61.8-137.5174.500000112.4I237 F238 Q242 Y243 F244I237-G240 PolarHBondContact O-N 2.73Å; F238-G240 PolarHBondContact O-N 3.4Å; G240-Q242 PolarHBondContact O-N 3.18Å; G240-Y243 WeakPolarHBondContact O-CB 3.42Å; G240-Y243 PolarHBondContact O-N 3.16Å; G240-F244 WeakPolarHBondContact O-CD2 3.47Å
241F63.3Low78.4Confident89 Ų8959.6 Ų59.639%0.3932%0.318SS..G310 helixtrans-66.6-21.6-177.3-164.3-131.9000114I80 T81 K245I80-F241 HydrophobicContact CB-CZ 4.37Å; I80-F241 HydrophobicContact CD1-CE2 4.04Å; I80-F241 HydrophobicContact CD1-CZ 4.49Å; T81-F241 HydrophobicContact CG2-CE1 4.18Å; T81-F241 HydrophobicContact CG2-CZ 4.26Å; F241-K245 HydrophobicContact CD1-CD 3.66Å; F241-K245 HydrophobicContact CD2-CD 4.38Å; F241-K245 HydrophobicContact CE1-CD 3.48Å; F241-K245 VanDerWaalsContact CE1-CD 3.48Å; F241-K245 HydrophobicContact CE2-CD 4.16Å; F241-K245 HydrophobicContact CG-CD 4.17Å; F241-K245 HydrophobicContact CZ-CD 3.76Å; F241-K245 WeakPolarHBondContact O-CB 3.14Å; F241-K245 WeakPolarHBondContact O-CG 3.49Å; F241-K245 PolarHBondContact O-N 2.99Å
242Q66.1Low78.5Confident109 Ų10957.7 Ų57.751%0.50931%0.305SS..G310 helixtrans-73.5-31.1176.4-71.9-64.8-9.100112.2P234 G239 G240 F244 K245 C246P234-Q242 HydrophobicContact CG-CB 4.07Å; G239-Q242 PolarHBondContact O-N 2.95Å; G240-Q242 PolarHBondContact O-N 3.18Å; Q242-F244 VanDerWaalsContact C-N 3.27Å; Q242-F244 PolarHBondContact O-N 3.28Å; Q242-K245 PolarHBondContact O-N 3.15Å; Q242-C246 WeakPolarHBondContact O-CB 3.41Å; Q242-C246 PolarHBondContact O-N 3.24Å
243Y58.8Low78.9Confident66 Ų6658.7 Ų58.726%0.25929%0.292SS..THydrogen-bonded Turntrans-56.6-42.4172.2174.7-102.6000111.6P234 T236 I237 G240 K245P234-Y243 WeakPolarHBondContact O-CD2 3.36Å; T236-Y243 VanDerWaalsContact C-CE2 3.47Å; T236-Y243 VanDerWaalsContact N-CD2 3.33Å; T236-Y243 VanDerWaalsContact N-CE2 3.34Å; T236-Y243 WeakPolarHBondContact O-CB 3.5Å; T236-Y243 WeakPolarHBondContact O-CD2 3.3Å; I237-Y243 HydrophobicContact CG2-CD1 4Å; I237-Y243 HydrophobicContact CG2-CE1 3.63Å; G240-Y243 WeakPolarHBondContact O-CB 3.42Å; G240-Y243 PolarHBondContact O-N 3.16Å; Y243-K245 VanDerWaalsContact C-N 3.34Å; Y243-K245 PolarHBondContact O-N 3.19Å
244F64.5Low79.3Confident101 Ų10158.1 Ų58.144%0.44329%0.288SS..THydrogen-bonded Turntrans-84.5-3.4-178.2-62.4-75.5000114.7L211 I237 G240 Q242L211-F244 WeakPolarHBondContact CD1-O 3.31Å; I237-F244 HydrophobicContact CG2-CZ 4.42Å; G240-F244 WeakPolarHBondContact O-CD2 3.47Å; Q242-F244 VanDerWaalsContact C-N 3.27Å; Q242-F244 PolarHBondContact O-N 3.28Å
245K82.9Confident80.1Confident44 Ų4456.1 Ų56.119%0.19128%0.275CS..THydrogen-bonded Turntrans-126.2-28.2-170.5-77.7-169161.3-168.70114.5F241 Q242 Y243 H248 Q249F241-K245 HydrophobicContact CD1-CD 3.66Å; F241-K245 HydrophobicContact CD2-CD 4.38Å; F241-K245 HydrophobicContact CE1-CD 3.48Å; F241-K245 VanDerWaalsContact CE1-CD 3.48Å; F241-K245 HydrophobicContact CE2-CD 4.16Å; F241-K245 HydrophobicContact CG-CD 4.17Å; F241-K245 HydrophobicContact CZ-CD 3.76Å; F241-K245 WeakPolarHBondContact O-CB 3.14Å; F241-K245 WeakPolarHBondContact O-CG 3.49Å; F241-K245 PolarHBondContact O-N 2.99Å; Q242-K245 PolarHBondContact O-N 3.15Å; Y243-K245 VanDerWaalsContact C-N 3.34Å; Y243-K245 PolarHBondContact O-N 3.19Å; K245-H248 PolarHBondContact O-N 3.05Å; K245-Q249 VanDerWaalsContact O-CB 3.31Å; K245-Q249 WeakPolarHBondContact O-CB 3.22Å; K245-Q249 VanDerWaalsContact O-CG 3.22Å; K245-Q249 WeakPolarHBondContact O-CG 3.48Å; K245-Q249 PolarHBondContact O-N 3.21Å
246C89.1Confident81.1Confident23 Ų2349 Ų4916%0.15525%0.245CC..Hα-helixtrans-62.7-48.7-171.3-177.40000111.1C233 Q242 Q249 R250C233-C246 WeakPolarHBondContact CA-SG 3.42Å; C233-C246 HydrophobicContact CB-CB 3.55Å; C233-C246 WeakPolarHBondContact CB-SG 3.44Å; C233-C246 WeakPolarHBondContact SG-CB 3.43Å; C233-C246 CovalentContact SG-SG 2.04Å; C233-C246 PolarHBondContact SG-SG 2.89Å; Q242-C246 WeakPolarHBondContact O-CB 3.41Å; Q242-C246 PolarHBondContact O-N 3.24Å; C246-Q249 PolarHBondContact O-N 3.36Å; C246-R250 PolarHBondContact O-N 2.01Å; C246-R250 VanDerWaalsContact O-N 3.11Å
247D93.6Very high82.5Confident6 Ų645.5 Ų45.53%0.03222%0.223CC..Hα-helixtrans-62-49.5176.4-59.4-56000110.3S206 D207 Q230 C233 Q249 R250S206-D247 VanDerWaalsContact CB-O 3.3Å; S206-D247 WeakPolarHBondContact CB-O 3.32Å; S206-D247 PolarHBondContact OG-O 3.25Å; D207-D247 HydrophobicContact CB-CB 3.96Å; Q230-D247 WeakPolarHBondContact CA-OD1 3.25Å; Q230-D247 WeakPolarHBondContact CB-OD1 3.2Å; Q230-D247 HydrophobicContact CG-CB 4.13Å; Q230-D247 WeakPolarHBondContact CG-OD1 3.47Å; Q230-D247 PolarHBondContact N-OD1 2.74Å; C233-D247 VanDerWaalsContact CB-OD1 3.24Å; C233-D247 WeakPolarHBondContact CB-OD1 3.36Å; C233-D247 PolarHBondContact SG-N 3.11Å; C233-D247 PolarHBondContact SG-OD1 3.13Å; C233-D247 VanDerWaalsContact SG-OD1 3.42Å; D247-Q249 PolarHBondContact O-N 3.44Å; D247-Q249 VanDerWaalsContact O-N 3.13Å; D247-R250 WeakPolarHBondContact O-CB 3.22Å; D247-R250 PolarHBondContact O-N 2.92Å
248H95.3Very high84.1Confident16 Ų1641.1 Ų41.17%0.07420%0.203CC..Hα-helixtrans-56.1-34.1177.7-163.479.3000114.1S154 D178 D207 L211 K245 S251S154-H248 WeakPolarHBondContact CB-NE2 2.89Å; S154-H248 PolarHBondContact OG-NE2 3.41Å; D178-H248 PolarHBondContact O-CE1 3.24Å; D178-H248 PolarHBondContact O-NE2 3.38Å; D178-H248 VanDerWaalsContact OD2-CA 3.28Å; D178-H248 WeakPolarHBondContact OD2-CA 3.41Å; D178-H248 IonicContact OD2-CE1 2.8Å; D178-H248 IonicContact OD2-CG 3.61Å; D178-H248 IonicContact OD2-ND1 3.27Å; D207-H248 HydrophobicContact CB-CB 4.21Å; L211-H248 WeakPolarHBondContact CB-ND1 3.25Å; L211-H248 HydrophobicContact CD1-CB 4.09Å; K245-H248 PolarHBondContact O-N 3.05Å; H248-S251 PolarHBondContact O-OG 2.87Å
249Q95Very high85.7Confident36 Ų3632.3 Ų32.317%0.16816%0.164CC..Hα-helixtrans-85.8-12178.4-69.1-174.2-72.200113.4K245 C246 D247 S251 V252 Y253K245-Q249 VanDerWaalsContact O-CB 3.31Å; K245-Q249 WeakPolarHBondContact O-CB 3.22Å; K245-Q249 VanDerWaalsContact O-CG 3.22Å; K245-Q249 WeakPolarHBondContact O-CG 3.48Å; K245-Q249 PolarHBondContact O-N 3.21Å; C246-Q249 PolarHBondContact O-N 3.36Å; D247-Q249 PolarHBondContact O-N 3.44Å; D247-Q249 VanDerWaalsContact O-N 3.13Å; Q249-S251 VanDerWaalsContact C-N 3.3Å; Q249-S251 PolarHBondContact O-N 2.88Å; Q249-V252 PolarHBondContact O-N 2.87Å; Q249-V252 VanDerWaalsContact O-N 3.13Å; Q249-Y253 HydrophobicContact CB-CD2 4.37Å; Q249-Y253 HydrophobicContact CB-CE2 3.98Å; Q249-Y253 VanDerWaalsContact O-CD2 3.23Å; Q249-Y253 WeakPolarHBondContact O-CD2 3.25Å; Q249-Y253 PolarHBondContact O-N 2.93Å
250R97.1Very high87.1Confident15 Ų1537.2 Ų37.26%0.05717%0.173CC..Hα-helixtrans-61.6-38.8-177.5-175.660.857.21507.3111.9Q230 P231 C233 C246 D247 V252 Y253 L254 E322 F326Q230-R250 HydrophobicContact CB-CB 4.18Å; Q230-R250 HydrophobicContact CB-CG 3.93Å; Q230-R250 HydrophobicContact CG-CB 3.75Å; Q230-R250 HydrophobicContact CG-CG 3.72Å; P231-R250 PolarHBondContact O-NH2 3.3Å; C233-R250 PolarHBondContact SG-NH2 2.67Å; C246-R250 PolarHBondContact O-N 2.01Å; C246-R250 VanDerWaalsContact O-N 3.11Å; D247-R250 WeakPolarHBondContact O-CB 3.22Å; D247-R250 PolarHBondContact O-N 2.92Å; R250-V252 PolarHBondContact O-N 2.81Å; R250-Y253 PolarHBondContact O-N 2.97Å; R250-Y253 VanDerWaalsContact O-N 3.11Å; R250-L254 HydrophobicContact CG-CD1 3.86Å; R250-L254 HydrophobicContact CG-CG 4.05Å; R250-L254 WeakPolarHBondContact O-CB 3.45Å; R250-L254 WeakPolarHBondContact O-CG 3.35Å; R250-L254 PolarHBondContact O-N 3.4Å; R250-E322 PolarHBondContact NH1-O 3.1Å; R250-F326 VanDerWaalsContact NH1-CD1 3.31Å
251S97.9Very high87.6Confident0 Ų040.5 Ų40.50%018%0.183CC..Hα-helixtrans-49.1-44.2173.4570000112.7D178 S206 H248 Q249 Y255D178-S251 WeakPolarHBondContact CB-OG 3.37Å; S206-S251 WeakPolarHBondContact OG-CB 3.2Å; S206-S251 PolarHBondContact OG-N 3.41Å; H248-S251 PolarHBondContact O-OG 2.87Å; Q249-S251 VanDerWaalsContact C-N 3.3Å; Q249-S251 PolarHBondContact O-N 2.88Å; S251-Y255 WeakPolarHBondContact O-CB 3.46Å; S251-Y255 PolarHBondContact O-N 3.44Å
252V97.9Very high88.5Confident0 Ų039.4 Ų39.40%019%0.186CC..Hα-helixtrans-67.7-44.3179.1-173.10000111.7W87 V153 L177 Q249 R250 L254 Y255 L256W87-V252 HydrophobicContact CB-CG1 3.94Å; W87-V252 HydrophobicContact CD2-CB 4.48Å; W87-V252 HydrophobicContact CD2-CG1 3.59Å; W87-V252 HydrophobicContact CD2-CG2 4.45Å; W87-V252 HydrophobicContact CE3-CG1 3.81Å; W87-V252 HydrophobicContact CG-CB 4.37Å; W87-V252 HydrophobicContact CG-CG1 3.62Å; W87-V252 HydrophobicContact CZ2-CG2 4.41Å; V153-V252 HydrophobicContact CG1-CG2 3.81Å; V153-V252 HydrophobicContact CG2-CG2 3.93Å; L177-V252 HydrophobicContact CB-CG2 4.4Å; L177-V252 HydrophobicContact CD1-CG2 4.16Å; Q249-V252 PolarHBondContact O-N 2.87Å; Q249-V252 VanDerWaalsContact O-N 3.13Å; R250-V252 PolarHBondContact O-N 2.81Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-Y255 PolarHBondContact O-N 3.15Å; V252-L256 HydrophobicContact CG1-CD1 4.25Å; V252-L256 WeakPolarHBondContact O-CB 3.22Å; V252-L256 WeakPolarHBondContact O-CG 3.16Å; V252-L256 PolarHBondContact O-N 2.88Å
253Y97.1Very high89.4Confident76 Ų7635.2 Ų35.230%0.29817%0.169SC..Hα-helixtrans-69.9-32.5-179.8-66.3-62.5000112.8W87 Q249 R250 L256 S257W87-Y253 HydrophobicContact CB-CE1 4.21Å; Q249-Y253 HydrophobicContact CB-CD2 4.37Å; Q249-Y253 HydrophobicContact CB-CE2 3.98Å; Q249-Y253 VanDerWaalsContact O-CD2 3.23Å; Q249-Y253 WeakPolarHBondContact O-CD2 3.25Å; Q249-Y253 PolarHBondContact O-N 2.93Å; R250-Y253 PolarHBondContact O-N 2.97Å; R250-Y253 VanDerWaalsContact O-N 3.11Å; Y253-L256 HydrophobicContact CD1-CD1 4Å; Y253-L256 HydrophobicContact CE1-CD1 4.46Å; Y253-L256 PolarHBondContact O-N 2.75Å; Y253-S257 PolarHBondContact O-N 2.77Å
254L97.7Very high90.8Very high0 Ų035.7 Ų35.70%019%0.186CC..Hα-helixtrans-66-45.3171.7-73.2174.8000111.4I204 P224 R250 V252 L256 S257 S258 I265 L295 T320 F326I204-L254 HydrophobicContact CG2-CD1 4.41Å; P224-L254 HydrophobicContact CB-CD1 3.64Å; P224-L254 HydrophobicContact CG-CD1 3.65Å; R250-L254 HydrophobicContact CG-CD1 3.86Å; R250-L254 HydrophobicContact CG-CG 4.05Å; R250-L254 WeakPolarHBondContact O-CB 3.45Å; R250-L254 WeakPolarHBondContact O-CG 3.35Å; R250-L254 PolarHBondContact O-N 3.4Å; V252-L254 VanDerWaalsContact C-N 3.34Å; L254-L256 PolarHBondContact O-N 3.02Å; L254-S257 WeakPolarHBondContact O-CB 3.33Å; L254-S257 PolarHBondContact O-N 2.81Å; L254-S258 PolarHBondContact O-N 3.07Å; L254-S258 VanDerWaalsContact O-N 3.13Å; L254-I265 HydrophobicContact CD2-CD1 4.22Å; L254-L295 HydrophobicContact CB-CD2 3.82Å; L254-L295 HydrophobicContact CD1-CD2 4.34Å; L254-L295 HydrophobicContact CD2-CD2 4.2Å; L254-L295 HydrophobicContact CG-CD2 4.34Å; L254-T320 HydrophobicContact CD1-CG2 4.48Å; L254-T320 HydrophobicContact CD2-CG2 3.82Å; L254-F326 HydrophobicContact CD2-CB 3.83Å; L254-F326 HydrophobicContact CD2-CD2 3.86Å; L254-F326 HydrophobicContact CD2-CG 3.95Å
255Y97.9Very high92.2Very high0 Ų031.7 Ų31.70%017%0.169CC..Hα-helixtrans-60.3-45.2173.7-171.2-81000111.5L91 L95 Y149 I151 T175 L177 I204 S251 V252 S257 S258 L259 Y297L91-Y255 HydrophobicContact CD1-CD1 3.77Å; L91-Y255 HydrophobicContact CD1-CE1 3.88Å; L95-Y255 HydrophobicContact CD2-CE1 4.36Å; Y149-Y255 WeakPolarHBondContact CE1-OH 3.26Å; Y149-Y255 WeakPolarHBondContact OH-CE2 3.41Å; Y149-Y255 PolarHBondContact OH-OH 3.2Å; I151-Y255 HydrophobicContact CD1-CE1 3.9Å; I151-Y255 WeakPolarHBondContact CD1-OH 3.19Å; T175-Y255 HydrophobicContact CG2-CD2 4.01Å; T175-Y255 HydrophobicContact CG2-CE2 3.87Å; L177-Y255 HydrophobicContact CD1-CG 4.35Å; L177-Y255 HydrophobicContact CD2-CD2 3.93Å; L177-Y255 HydrophobicContact CD2-CG 4.13Å; I204-Y255 HydrophobicContact CD1-CD2 4.44Å; S251-Y255 WeakPolarHBondContact O-CB 3.46Å; S251-Y255 PolarHBondContact O-N 3.44Å; V252-Y255 PolarHBondContact O-N 3.15Å; Y255-S257 VanDerWaalsContact C-N 3.31Å; Y255-S257 PolarHBondContact O-N 2.9Å; Y255-S258 WeakPolarHBondContact O-CB 3.35Å; Y255-S258 PolarHBondContact O-N 3.22Å; Y255-S258 VanDerWaalsContact O-N 3.1Å; Y255-S258 PolarHBondContact O-OG 2.73Å; Y255-L259 HydrophobicContact CD1-CD1 4.26Å; Y255-L259 HydrophobicContact CE1-CD1 4.05Å; Y255-L259 HydrophobicContact CE1-CD2 4.36Å; Y255-L259 HydrophobicContact CE1-CG 4.27Å; Y255-L259 PolarHBondContact O-N 2.93Å; Y255-Y297 WeakPolarHBondContact OH-CD2 3.33Å
256L96.9Very high92.6Very high7 Ų731.9 Ų31.94%0.03717%0.174CC..Hα-helixtrans-57.9-40.4174.3-80.5171.8000113W87 D90 L91 V252 Y253 L254 S258 L259W87-L256 HydrophobicContact CB-CD1 4.16Å; D90-L256 HydrophobicContact CB-CD1 4.23Å; D90-L256 HydrophobicContact CB-CD2 4.15Å; L91-L256 VanDerWaalsContact CA-CD2 3.44Å; L91-L256 HydrophobicContact CB-CD2 3.9Å; L91-L256 HydrophobicContact CD1-CD2 3.87Å; L91-L256 HydrophobicContact CD1-CG 4.4Å; V252-L256 HydrophobicContact CG1-CD1 4.25Å; V252-L256 WeakPolarHBondContact O-CB 3.22Å; V252-L256 WeakPolarHBondContact O-CG 3.16Å; V252-L256 PolarHBondContact O-N 2.88Å; Y253-L256 HydrophobicContact CD1-CD1 4Å; Y253-L256 HydrophobicContact CE1-CD1 4.46Å; Y253-L256 PolarHBondContact O-N 2.75Å; L254-L256 PolarHBondContact O-N 3.02Å; L256-S258 VanDerWaalsContact C-N 3.27Å; L256-S258 PolarHBondContact O-N 3.08Å; L256-L259 HydrophobicContact CD2-CD1 4.34Å; L256-L259 PolarHBondContact O-N 2.67Å
257S95.5Very high92.8Very high1 Ų130.8 Ų30.81%0.00717%0.167CC..Hα-helixtrans-60.9-39.7176.6-161.20000111.1Y253 L254 Y255 L259 R260 P325Y253-S257 PolarHBondContact O-N 2.77Å; L254-S257 WeakPolarHBondContact O-CB 3.33Å; L254-S257 PolarHBondContact O-N 2.81Å; Y255-S257 VanDerWaalsContact C-N 3.31Å; Y255-S257 PolarHBondContact O-N 2.9Å; S257-L259 PolarHBondContact O-N 2.77Å; S257-R260 PolarHBondContact O-N 2.92Å; S257-R260 VanDerWaalsContact O-N 3.14Å; S257-P325 PolarHBondContact OG-O 3.16Å
258S95.3Very high92.8Very high18 Ų1831.3 Ų31.313%0.12617%0.168CC..Hα-helixtrans-63.5-20.4178.580.20000114.5L254 Y255 L256 L295 G296 Y297L254-S258 PolarHBondContact O-N 3.07Å; L254-S258 VanDerWaalsContact O-N 3.13Å; Y255-S258 WeakPolarHBondContact O-CB 3.35Å; Y255-S258 PolarHBondContact O-N 3.22Å; Y255-S258 VanDerWaalsContact O-N 3.1Å; Y255-S258 PolarHBondContact O-OG 2.73Å; L256-S258 VanDerWaalsContact C-N 3.27Å; L256-S258 PolarHBondContact O-N 3.08Å; S258-L295 WeakPolarHBondContact CB-O 3.3Å; S258-G296 WeakPolarHBondContact OG-CA 3.35Å; S258-Y297 PolarHBondContact OG-N 3.33Å
259L94.9Very high92.7Very high7 Ų731.7 Ų31.74%0.03717%0.172CC..THydrogen-bonded Turntrans-80.7-18.2178.1-65.8169.2000113.2L91 L95 V98 Y255 L256 S257 Y297L91-L259 HydrophobicContact CD1-CD1 3.97Å; L95-L259 HydrophobicContact CD2-CD1 4.4Å; L95-L259 HydrophobicContact CD2-CD2 4.11Å; L95-L259 HydrophobicContact CG-CD1 4.33Å; V98-L259 HydrophobicContact CG1-CB 4.25Å; V98-L259 HydrophobicContact CG1-CD2 3.95Å; V98-L259 WeakPolarHBondContact CG1-O 3.5Å; V98-L259 HydrophobicContact CG2-CD2 3.93Å; Y255-L259 HydrophobicContact CD1-CD1 4.26Å; Y255-L259 HydrophobicContact CE1-CD1 4.05Å; Y255-L259 HydrophobicContact CE1-CD2 4.36Å; Y255-L259 HydrophobicContact CE1-CG 4.27Å; Y255-L259 PolarHBondContact O-N 2.93Å; L256-L259 HydrophobicContact CD2-CD1 4.34Å; L256-L259 PolarHBondContact O-N 2.67Å; S257-L259 PolarHBondContact O-N 2.77Å; L259-Y297 HydrophobicContact CD2-CD1 4.26Å; L259-Y297 HydrophobicContact CD2-CD2 3.56Å; L259-Y297 HydrophobicContact CD2-CE2 4.32Å; L259-Y297 HydrophobicContact CD2-CG 3.53Å
260R86.4Confident92.7Very high134 Ų13430.4 Ų30.451%0.50617%0.167SC..THydrogen-bonded Turntrans-96-2.5-170.6-64.5-177.4-179.3-179.90.5114S257 S262S257-R260 PolarHBondContact O-N 2.92Å; S257-R260 VanDerWaalsContact O-N 3.14Å; R260-S262 PolarHBondContact O-N 2.84Å
261D76Confident92.5Very high102 Ų10236.3 Ų36.355%0.54520%0.2SC..THydrogen-bonded Turntrans50.319.6-177.7-76.9-24.2000114.9R298D261-R298 VanDerWaalsContact CG-NH2 3.32Å; D261-R298 IonicContact OD1-CZ 3.83Å; D261-R298 VanDerWaalsContact OD1-CZ 3.28Å; D261-R298 IonicContact OD1-NH1 2.78Å; D261-R298 PolarHBondContact OD1-NH1 3.47Å; D261-R298 IonicContact OD1-NH2 3.65Å; D261-R298 PolarHBondContact OD1-NH2 3.44Å; D261-R298 VanDerWaalsContact OD1-NH2 3.07Å; D261-R298 IonicContact OD2-CZ 2.6Å; D261-R298 IonicContact OD2-NH2 3.29Å; D261-R298 PolarHBondContact OD2-NH2 2.89Å
262S82.8Confident92.4Very high67 Ų6737.9 Ų37.947%0.46921%0.211SC..SBendtrans-75.7-31.7-178.754.20000112.6R260 P325R260-S262 PolarHBondContact O-N 2.84Å; S262-P325 WeakPolarHBondContact OG-CB 3.17Å
263C84.9Confident92.3Very high21 Ų2140.5 Ų40.514%0.14222%0.221CC..  trans-152.9141.1162.665.70000112.2I265 P325 C327C263-I265 PolarHBondContact O-N 3.02Å; C263-P325 PolarHBondContact SG-O 2.83Å; C263-P325 VanDerWaalsContact SG-O 3.41Å; C263-C327 HydrophobicContact CB-CB 3.82Å; C263-C327 WeakPolarHBondContact CB-SG 3.45Å; C263-C327 WeakPolarHBondContact SG-CB 3.3Å; C263-C327 CovalentContact SG-SG 2.03Å; C263-C327 PolarHBondContact SG-SG 2.96Å
264A88.3Confident92.2Very high75 Ų7544.3 Ų44.362%0.6224%0.235SC*.  trans-83.597.617500000109.6T266 L294A264-T266 PolarHBondContact O-N 3.45Å; A264-T266 VanDerWaalsContact O-N 3.08Å; A264-L294 HydrophobicContact CB-CD2 4.03Å
265I92.7Very high92.1Very high18 Ų1845.6 Ų45.69%0.09224%0.242CC..  trans-73.5105.2176.5-58.7174.4000108.4L254 C263 L295 F318 F326L254-I265 HydrophobicContact CD2-CD1 4.22Å; C263-I265 PolarHBondContact O-N 3.02Å; I265-L295 HydrophobicContact CB-CB 4.09Å; I265-L295 HydrophobicContact CB-CD2 4.22Å; I265-L295 HydrophobicContact CD1-CD2 4.08Å; I265-L295 HydrophobicContact CG2-CB 4.16Å; I265-L295 HydrophobicContact CG2-CD2 3.98Å; I265-L295 PolarHBondContact O-N 3.46Å; I265-F318 HydrophobicContact CG2-CD2 3.45Å; I265-F318 VanDerWaalsContact CG2-CD2 3.45Å; I265-F318 HydrophobicContact CG2-CE2 3.56Å; I265-F318 HydrophobicContact CG2-CG 4.11Å; I265-F318 HydrophobicContact CG2-CZ 4.32Å; I265-F326 HydrophobicContact CD1-CB 4.31Å
266T92.1Very high91.9Very high47 Ų4745.7 Ų45.729%0.28824%0.242SC..BIsolated β-bridgetrans-84.9129.3177.5-59.10000109.9A264 Y268 C292A264-T266 PolarHBondContact O-N 3.45Å; A264-T266 VanDerWaalsContact O-N 3.08Å; T266-Y268 HydrophobicContact CG2-CE2 4.36Å; T266-C292 HydrophobicContact CG2-CB 3.22Å
267A93.7Very high91.8Very high0 Ų047.1 Ų47.10%025%0.247CC..  trans-104.8151.5173.100000110.9F222 P293 A316 F318F222-A267 HydrophobicContact CD1-CB 3.59Å; F222-A267 HydrophobicContact CE1-CB 3.64Å; A267-P293 HydrophobicContact CB-CG 4.32Å; A267-P293 PolarHBondContact N-O 2.98Å; A267-P293 VanDerWaalsContact O-CD 3.24Å; A267-P293 WeakPolarHBondContact O-CD 3.07Å; A267-P293 WeakPolarHBondContact O-CG 3.36Å; A267-A316 HydrophobicContact CB-CB 3.75Å; A267-F318 HydrophobicContact CB-CD1 3.5Å; A267-F318 VanDerWaalsContact CB-CD1 3.5Å; A267-F318 HydrophobicContact CB-CE1 4.03Å; A267-F318 HydrophobicContact CB-CG 4.36Å
268Y93.5Very high91.6Very high17 Ų1749.4 Ų49.47%0.06726%0.259CS..EExtended strand (participates in β ladder)trans-115.7117.6-175.5-65.7-86.3000111T266 C270 Y276 C281 A316 F317T266-Y268 HydrophobicContact CG2-CE2 4.36Å; Y268-C270 PolarHBondContact O-N 2.91Å; Y268-Y276 HydrophobicContact CD2-CD2 4.32Å; Y268-Y276 AromaticContact CD2-CE2 3.78Å; Y268-Y276 HydrophobicContact CD2-CE2 3.78Å; Y268-Y276 HydrophobicContact CG-CD2 4.48Å; Y268-Y276 HydrophobicContact CG-CE2 4.37Å; Y268-C281 VanDerWaalsContact CB-O 3.3Å; Y268-C281 WeakPolarHBondContact CB-O 3.17Å; Y268-A316 CarbonylContact O-C 3.54Å; Y268-A316 WeakPolarHBondContact O-CA 3.18Å; Y268-F317 PolarHBondContact N-O 3.07Å; Y268-F317 PolarHBondContact O-N 3.04Å
269P93.9Very high91.4Very high24 Ų2449 Ų4916%0.15626%0.258CS..EExtended strand (participates in β ladder)trans-56.9125.1173.2-2434000111C281 C284 P293 W302 T314 K315P269-C281 WeakPolarHBondContact O-CB 3.28Å; P269-C284 WeakPolarHBondContact CD-SG 3.03Å; P269-P293 HydrophobicContact CG-CG 4.31Å; P269-W302 HydrophobicContact CG-CH2 3.54Å; P269-W302 HydrophobicContact CG-CZ3 3.74Å; P269-T314 HydrophobicContact CB-CG2 3.85Å; P269-T314 HydrophobicContact CG-CG2 4.29Å; P269-K315 VanDerWaalsContact CA-O 3.3Å; P269-K315 WeakPolarHBondContact CA-O 3.31Å
270C94.2Very high91.3Very high10 Ų1055.4 Ų55.47%0.06829%0.286CS..  trans-157.1158-179.4-157.30000110.9Y268 S272 Y276 C281 K315 F317Y268-C270 PolarHBondContact O-N 2.91Å; C270-S272 PolarHBondContact SG-O 3.32Å; C270-Y276 PolarHBondContact SG-N 3.09Å; C270-C281 WeakPolarHBondContact CA-SG 3.1Å; C270-C281 HydrophobicContact CB-CB 3.39Å; C270-C281 WeakPolarHBondContact CB-SG 3.34Å; C270-C281 WeakPolarHBondContact SG-CB 3.02Å; C270-C281 CovalentContact SG-SG 2.03Å; C270-C281 PolarHBondContact SG-SG 3.38Å; C270-K315 PolarHBondContact N-O 2.89Å; C270-F317 HydrophobicContact CB-CD2 3.76Å; C270-F317 HydrophobicContact CB-CE2 4.22Å; C270-F317 WeakPolarHBondContact O-CE2 3.33Å
271D93.3Very high91.4Very high139 Ų13950.1 Ų50.174%0.74327%0.269SS*.SBendtrans-73.7-32.1178.4-65-28.1000112.4
272S95.4Very high91.4Very high32 Ų3247.2 Ų47.222%0.22426%0.255CS..  trans-149.6151.7-178.479.40000113C270 R274 D275 Y276C270-S272 PolarHBondContact SG-O 3.32Å; S272-R274 PolarHBondContact O-N 2.91Å; S272-D275 PolarHBondContact O-N 2.86Å; S272-D275 VanDerWaalsContact O-N 3.14Å; S272-D275 VanDerWaalsContact OG-CG 3.26Å; S272-D275 PolarHBondContact OG-N 2.81Å; S272-D275 VanDerWaalsContact OG-N 3.08Å; S272-D275 PolarHBondContact OG-OD2 2.97Å; S272-Y276 PolarHBondContact O-N 3.45Å
273Y96Very high91.2Very high55 Ų5548.4 Ų48.422%0.21626%0.263CS..Hα-helixtrans-58-34.3172.8-176.6-120.4000112.2G226 Y276 R277 F317 D319G226-Y273 VanDerWaalsContact N-CE2 3.34Å; Y273-Y276 AromaticContact CD2-CD1 3.6Å; Y273-Y276 HydrophobicContact CD2-CD1 3.6Å; Y273-Y276 HydrophobicContact CD2-CE1 4.1Å; Y273-Y276 AromaticContact CE2-CD1 3.67Å; Y273-Y276 HydrophobicContact CE2-CD1 3.67Å; Y273-Y276 AromaticContact CE2-CE1 3.69Å; Y273-Y276 HydrophobicContact CE2-CE1 3.69Å; Y273-Y276 PolarHBondContact O-N 3.08Å; Y273-R277 HydrophobicContact CD1-CG 4.12Å; Y273-R277 HydrophobicContact CD2-CG 4.19Å; Y273-R277 HydrophobicContact CE1-CG 3.78Å; Y273-R277 HydrophobicContact CE2-CG 3.86Å; Y273-R277 HydrophobicContact CG-CG 4.32Å; Y273-R277 WeakPolarHBondContact O-CB 3.33Å; Y273-R277 VanDerWaalsContact O-CG 3.22Å; Y273-R277 WeakPolarHBondContact O-CG 3.47Å; Y273-R277 PolarHBondContact O-N 3.36Å; Y273-R277 PolarHBondContact OH-NH1 3.39Å; Y273-F317 HydrophobicContact CD2-CB 4.21Å; Y273-F317 AromaticContact CD2-CD1 3.74Å; Y273-F317 HydrophobicContact CD2-CD1 3.74Å; Y273-F317 HydrophobicContact CD2-CG 4.27Å; Y273-F317 HydrophobicContact CG-CD1 4.14Å; Y273-D319 PolarHBondContact OH-OD1 2.52Å
274R95.1Very high90.9Very high157 Ų15747.7 Ų47.759%0.59226%0.258SS*.Hα-helixtrans-63.1-44.8176.3-175.7-179.466.4176.8-1111.7S272 R277 N278S272-R274 PolarHBondContact O-N 2.91Å; R274-R277 PolarHBondContact O-N 2.93Å; R274-N278 WeakPolarHBondContact O-CB 3.21Å; R274-N278 PolarHBondContact O-N 2.78Å; R274-N278 PolarHBondContact O-ND2 3.42Å
275D95.1Very high89.9Confident27 Ų2745.3 Ų45.314%0.14424%0.241CC..Hα-helixtrans-68.1-37.5179.1-67.9-44.7000111.7S272 N278 G279 K280S272-D275 PolarHBondContact O-N 2.86Å; S272-D275 VanDerWaalsContact O-N 3.14Å; S272-D275 VanDerWaalsContact OG-CG 3.26Å; S272-D275 PolarHBondContact OG-N 2.81Å; S272-D275 VanDerWaalsContact OG-N 3.08Å; S272-D275 PolarHBondContact OG-OD2 2.97Å; D275-N278 CarbonylContact O-C 3.26Å; D275-N278 PolarHBondContact O-N 2.99Å; D275-G279 PolarHBondContact O-N 2.73Å; D275-K280 HydrophobicContact CB-CB 4.3Å; D275-K280 HydrophobicContact CB-CD 4.02Å; D275-K280 WeakPolarHBondContact O-CB 3.47Å; D275-K280 PolarHBondContact O-N 2.97Å; D275-K280 WeakPolarHBondContact OD1-CD 3.35Å; D275-K280 WeakPolarHBondContact OD1-CE 3.43Å; D275-K280 IonicContact OD1-NZ 3.66Å; D275-K280 PolarHBondContact OD1-NZ 2.92Å
276Y94.4Very high88.4Confident2 Ų249.1 Ų49.11%0.00828%0.275CS..Hα-helixtrans-59.2-50.7170.3157.4-100.8000111.4Y268 C270 S272 Y273 N278 G279 F317 F318 D319 H330 L379Y268-Y276 HydrophobicContact CD2-CD2 4.32Å; Y268-Y276 AromaticContact CD2-CE2 3.78Å; Y268-Y276 HydrophobicContact CD2-CE2 3.78Å; Y268-Y276 HydrophobicContact CG-CD2 4.48Å; Y268-Y276 HydrophobicContact CG-CE2 4.37Å; C270-Y276 PolarHBondContact SG-N 3.09Å; S272-Y276 PolarHBondContact O-N 3.45Å; Y273-Y276 AromaticContact CD2-CD1 3.6Å; Y273-Y276 HydrophobicContact CD2-CD1 3.6Å; Y273-Y276 HydrophobicContact CD2-CE1 4.1Å; Y273-Y276 AromaticContact CE2-CD1 3.67Å; Y273-Y276 HydrophobicContact CE2-CD1 3.67Å; Y273-Y276 AromaticContact CE2-CE1 3.69Å; Y273-Y276 HydrophobicContact CE2-CE1 3.69Å; Y273-Y276 PolarHBondContact O-N 3.08Å; Y276-N278 PolarHBondContact O-N 3.48Å; Y276-G279 WeakPolarHBondContact O-CA 3.35Å; Y276-G279 PolarHBondContact O-N 3.38Å; Y276-F317 HydrophobicContact CD1-CB 3.77Å; Y276-F317 HydrophobicContact CD2-CB 4.16Å; Y276-F317 HydrophobicContact CE1-CB 4.42Å; Y276-F317 HydrophobicContact CG-CB 3.64Å; Y276-F318 WeakPolarHBondContact OH-CA 3.48Å; Y276-D319 VanDerWaalsContact CE1-OD2 3.25Å; Y276-D319 WeakPolarHBondContact CE1-OD2 3.34Å; Y276-D319 PolarHBondContact OH-N 3.05Å; Y276-D319 PolarHBondContact OH-OD2 3.32Å; Y276-H330 PolarHBondContact OH-NE2 2.86Å; Y276-L379 HydrophobicContact CE2-CD2 4.08Å; Y276-L379 WeakPolarHBondContact O-CD2 3.36Å
277R93.7Very high86.9Confident37 Ų3749.3 Ų49.314%0.1428%0.278CS..Hα-helixtrans-62.9-28.1178.4-73.2-73.8-67.3-115.72.4113.2Y273 R274 G279 D319 H365 R381Y273-R277 HydrophobicContact CD1-CG 4.12Å; Y273-R277 HydrophobicContact CD2-CG 4.19Å; Y273-R277 HydrophobicContact CE1-CG 3.78Å; Y273-R277 HydrophobicContact CE2-CG 3.86Å; Y273-R277 HydrophobicContact CG-CG 4.32Å; Y273-R277 WeakPolarHBondContact O-CB 3.33Å; Y273-R277 VanDerWaalsContact O-CG 3.22Å; Y273-R277 WeakPolarHBondContact O-CG 3.47Å; Y273-R277 PolarHBondContact O-N 3.36Å; Y273-R277 PolarHBondContact OH-NH1 3.39Å; R274-R277 PolarHBondContact O-N 2.93Å; R277-G279 PolarHBondContact O-N 3.26Å; R277-D319 IonicContact NH1-OD1 3.51Å; R277-H365 PolarHBondContact O-CE1 2.94Å; R277-H365 PolarHBondContact O-NE2 3.38Å; R277-R381 VanDerWaalsContact CD-NH1 3.27Å; R277-R381 VanDerWaalsContact NE-CZ 3.27Å
278N92.4Very high85Confident48 Ų4859 Ų5926%0.25732%0.324SS..THydrogen-bonded Turntrans-83.45.9172.7-75.4-26.8000113.4R274 D275 Y276 K280 H365 E366R274-N278 WeakPolarHBondContact O-CB 3.21Å; R274-N278 PolarHBondContact O-N 2.78Å; R274-N278 PolarHBondContact O-ND2 3.42Å; D275-N278 CarbonylContact O-C 3.26Å; D275-N278 PolarHBondContact O-N 2.99Å; Y276-N278 PolarHBondContact O-N 3.48Å; N278-K280 VanDerWaalsContact C-N 3.32Å; N278-K280 HydrophobicContact CB-CG 4.35Å; N278-K280 PolarHBondContact O-N 3.19Å; N278-H365 PolarHBondContact OD1-NE2 3.49Å; N278-E366 PolarHBondContact ND2-OE2 2.04Å; N278-E366 VanDerWaalsContact ND2-OE2 3.15Å
279G91.2Very high83.4Confident11 Ų1165.7 Ų65.711%0.11336%0.361CS..THydrogen-bonded Turntrans7219.4174.300000114.8D275 Y276 R277 C281D275-G279 PolarHBondContact O-N 2.73Å; Y276-G279 WeakPolarHBondContact O-CA 3.35Å; Y276-G279 PolarHBondContact O-N 3.38Å; R277-G279 PolarHBondContact O-N 3.26Å; G279-C281 VanDerWaalsContact C-N 3.35Å
280K91.6Very high82.1Confident141 Ų14167.5 Ų67.561%0.61337%0.367SS*.  trans-80-16.1-177-60.2-174.5-172.9167.50114D275 N278D275-K280 HydrophobicContact CB-CB 4.3Å; D275-K280 HydrophobicContact CB-CD 4.02Å; D275-K280 WeakPolarHBondContact O-CB 3.47Å; D275-K280 PolarHBondContact O-N 2.97Å; D275-K280 WeakPolarHBondContact OD1-CD 3.35Å; D275-K280 WeakPolarHBondContact OD1-CE 3.43Å; D275-K280 IonicContact OD1-NZ 3.66Å; D275-K280 PolarHBondContact OD1-NZ 2.92Å; N278-K280 VanDerWaalsContact C-N 3.32Å; N278-K280 HydrophobicContact CB-CG 4.35Å; N278-K280 PolarHBondContact O-N 3.19Å
281C88.6Confident81.6Confident22 Ų2271.4 Ų71.415%0.14939%0.394CS..  trans-128.268.1-169.5-61.60000110.7Y268 P269 C270 G279Y268-C281 VanDerWaalsContact CB-O 3.3Å; Y268-C281 WeakPolarHBondContact CB-O 3.17Å; P269-C281 WeakPolarHBondContact O-CB 3.28Å; C270-C281 WeakPolarHBondContact CA-SG 3.1Å; C270-C281 HydrophobicContact CB-CB 3.39Å; C270-C281 WeakPolarHBondContact CB-SG 3.34Å; C270-C281 WeakPolarHBondContact SG-CB 3.02Å; C270-C281 CovalentContact SG-SG 2.03Å; C270-C281 PolarHBondContact SG-SG 3.38Å; G279-C281 VanDerWaalsContact C-N 3.35Å
282V75.8Confident81.4Confident42 Ų4266.1 Ų66.126%0.25537%0.368SS..  trans-117.61.6-173.3-71.20000113.6F332 L418V282-F332 HydrophobicContact CB-CE2 3.78Å; V282-F332 HydrophobicContact CB-CZ 3.87Å; V282-F332 HydrophobicContact CG1-CE1 4.46Å; V282-F332 HydrophobicContact CG1-CE2 3.65Å; V282-F332 HydrophobicContact CG1-CZ 3.37Å; V282-F332 HydrophobicContact CG2-CE2 3.58Å; V282-F332 HydrophobicContact CG2-CZ 3.56Å; V282-L418 HydrophobicContact CB-CD1 4.45Å; V282-L418 HydrophobicContact CB-CD2 4.48Å; V282-L418 HydrophobicContact CG1-CD1 4.02Å
283S79.2Confident81.3Confident91 Ų9164.7 Ų64.764%0.63636%0.358SS*.  trans-108.6142.7166.151.70000108
284C78.1Confident81.2Confident6 Ų664.2 Ų64.24%0.04136%0.359CS..  trans-109.8145.6174.6-60.50000108.7P269 C292 W302P269-C284 WeakPolarHBondContact CD-SG 3.03Å; C284-C292 VanDerWaalsContact CB-CA 3.43Å; C284-C292 HydrophobicContact CB-CB 3.71Å; C284-C292 WeakPolarHBondContact CB-SG 3.27Å; C284-C292 WeakPolarHBondContact SG-CA 3.09Å; C284-C292 WeakPolarHBondContact SG-CB 3.33Å; C284-C292 CovalentContact SG-SG 2.01Å; C284-C292 PolarHBondContact SG-SG 3.23Å; C284-W302 HydrophobicContact CB-CH2 4.33Å; C284-W302 HydrophobicContact CB-CZ2 4.05Å
285G67.1Low81.2Confident25 Ų2557 Ų5726%0.25833%0.332SS..SBendtrans83172-179.500000115.3E290 Y305G285-E290 WeakPolarHBondContact CA-OE2 3.44Å; G285-Y305 WeakPolarHBondContact CA-OH 3.19Å
286A61.7Low81.2Confident98 Ų9855.7 Ų55.781%0.8133%0.325SS*.SBendtrans-82.5-26.6169.700000111.6E290 Y305A286-E290 PolarHBondContact N-OE2 3.04Å; A286-Y305 PolarHBondContact N-OH 3.47Å
287S60.3Low81.3Confident51 Ų5157 Ų5736%0.35733%0.33SS..SBendtrans-104.4149.3176.878.20000111.6N289 E290S287-N289 PolarHBondContact O-N 3.2Å; S287-E290 PolarHBondContact O-N 3.23Å; S287-E290 PolarHBondContact OG-OE1 3.47Å
288Q54.5Low81.4Confident204 Ų20460.4 Ų60.495%0.95334%0.343SS*.THydrogen-bonded Turntrans-68-3.1178.3-65.5-174.311.800114
289N59.2Low81.5Confident157 Ų15758.1 Ų58.184%0.8433%0.331SS*.THydrogen-bonded Turntrans-102.1-8.7-176.6-77-2.8000113.6S287 S291S287-N289 PolarHBondContact O-N 3.2Å; N289-S291 PolarHBondContact O-N 3.36Å
290E67.8Low81.7Confident63 Ų6360.1 Ų60.129%0.29434%0.339SS..PPolyproline II helixtrans-78.5121.4178.3-80.6151.7-133.400110.6G285 A286 S287 Y305G285-E290 WeakPolarHBondContact CA-OE2 3.44Å; A286-E290 PolarHBondContact N-OE2 3.04Å; S287-E290 PolarHBondContact O-N 3.23Å; S287-E290 PolarHBondContact OG-OE1 3.47Å; E290-Y305 WeakPolarHBondContact OE2-CD2 3.44Å; E290-Y305 WeakPolarHBondContact OE2-CE2 3.49Å
291S82.6Confident81.8Confident91 Ų9159.1 Ų59.164%0.63634%0.34SS*.PPolyproline II helixtrans-66.1142173.357.10000110.1N289 W302N289-S291 PolarHBondContact O-N 3.36Å; S291-W302 WeakPolarHBondContact O-CZ2 3.49Å; S291-W302 PolarHBondContact O-NE1 2.77Å
292C89.3Confident81.9Confident29 Ų2958.6 Ų58.620%0.19634%0.335CS..PPolyproline II helixtrans-59.8153.1173.1-66.80000113.5T266 C284T266-C292 HydrophobicContact CG2-CB 3.22Å; C284-C292 VanDerWaalsContact CB-CA 3.43Å; C284-C292 HydrophobicContact CB-CB 3.71Å; C284-C292 WeakPolarHBondContact CB-SG 3.27Å; C284-C292 WeakPolarHBondContact SG-CA 3.09Å; C284-C292 WeakPolarHBondContact SG-CB 3.33Å; C284-C292 CovalentContact SG-SG 2.01Å; C284-C292 PolarHBondContact SG-SG 3.23Å
293P92.7Very high82.6Confident1 Ų158.4 Ų58.41%0.00633%0.331CS..PPolyproline II helixtrans-64.6137.8176.626.3-31.2000110.5I220 F222 A267 P269 W302 A316I220-P293 HydrophobicContact CD1-CB 3.55Å; I220-P293 HydrophobicContact CD1-CG 3.79Å; F222-P293 HydrophobicContact CE1-CB 4.24Å; F222-P293 HydrophobicContact CZ-CB 4.41Å; A267-P293 HydrophobicContact CB-CG 4.32Å; A267-P293 PolarHBondContact N-O 2.98Å; A267-P293 VanDerWaalsContact O-CD 3.24Å; A267-P293 WeakPolarHBondContact O-CD 3.07Å; A267-P293 WeakPolarHBondContact O-CG 3.36Å; P269-P293 HydrophobicContact CG-CG 4.31Å; P293-W302 HydrophobicContact CB-CD2 3.63Å; P293-W302 HydrophobicContact CB-CE3 3.9Å; P293-W302 HydrophobicContact CB-CG 3.88Å; P293-W302 HydrophobicContact CB-CZ3 4.48Å; P293-W302 VanDerWaalsContact CD-CZ2 3.45Å; P293-W302 HydrophobicContact CG-CD2 4.08Å; P293-W302 HydrophobicContact CG-CE3 4Å; P293-W302 HydrophobicContact CG-CH2 4.29Å; P293-W302 HydrophobicContact CG-CZ2 4.33Å; P293-W302 HydrophobicContact CG-CZ3 4.09Å; P293-A316 HydrophobicContact CG-CB 4.41Å
294L93.9Very high83.1Confident45 Ų4559.2 Ų59.224%0.23633%0.328CS..BIsolated β-bridgetrans-90.9140.8170.5-62.3-178.1000109.7A264 R298 A299A264-L294 HydrophobicContact CB-CD2 4.03Å; L294-R298 HydrophobicContact CB-CB 4.5Å; L294-R298 HydrophobicContact CD1-CB 4.38Å; L294-A299 WeakPolarHBondContact O-CA 3.3Å; L294-A299 WeakPolarHBondContact O-CB 3.43Å
295L96.1Very high83.5Confident5 Ų561.4 Ų61.43%0.02634%0.336CS..SBendtrans-67.4140.3174.5-17866.5000111.7I204 F222 L254 S258 I265 F318I204-L295 HydrophobicContact CD1-CD1 3.71Å; I204-L295 HydrophobicContact CD1-CG 4.33Å; I204-L295 HydrophobicContact CG1-CD1 3.91Å; F222-L295 HydrophobicContact CB-CD1 3.76Å; F222-L295 HydrophobicContact CD1-CD1 3.84Å; F222-L295 HydrophobicContact CD2-CD1 4.03Å; F222-L295 HydrophobicContact CE1-CD1 4.42Å; F222-L295 HydrophobicContact CG-CD1 3.61Å; L254-L295 HydrophobicContact CB-CD2 3.82Å; L254-L295 HydrophobicContact CD1-CD2 4.34Å; L254-L295 HydrophobicContact CD2-CD2 4.2Å; L254-L295 HydrophobicContact CG-CD2 4.34Å; S258-L295 WeakPolarHBondContact CB-O 3.3Å; I265-L295 HydrophobicContact CB-CB 4.09Å; I265-L295 HydrophobicContact CB-CD2 4.22Å; I265-L295 HydrophobicContact CD1-CD2 4.08Å; I265-L295 HydrophobicContact CG2-CB 4.16Å; I265-L295 HydrophobicContact CG2-CD2 3.98Å; I265-L295 PolarHBondContact O-N 3.46Å; L295-F318 HydrophobicContact CB-CZ 4.44Å; L295-F318 HydrophobicContact CD1-CE1 3.93Å; L295-F318 HydrophobicContact CD1-CZ 3.61Å; L295-F318 HydrophobicContact CD2-CE1 4.35Å; L295-F318 HydrophobicContact CD2-CE2 3.65Å; L295-F318 HydrophobicContact CD2-CZ 3.37Å; L295-F318 HydrophobicContact CG-CZ 3.99Å
296G95.9Very high84.5Confident0 Ų060.2 Ų60.20%032%0.324CS..G310 helixtrans84.3-131.816400000114.3R173 S258 R298 A299R173-G296 PolarHBondContact NH2-O 3.23Å; S258-G296 WeakPolarHBondContact OG-CA 3.35Å; G296-R298 PolarHBondContact O-N 3.39Å; G296-R298 VanDerWaalsContact O-N 3.1Å; G296-A299 VanDerWaalsContact O-CB 3.23Å; G296-A299 WeakPolarHBondContact O-CB 3.31Å; G296-A299 PolarHBondContact O-N 3.46Å
297Y95.9Very high85.5Confident30 Ų3061.9 Ų61.912%0.11831%0.309CS..G310 helixtrans-57.5-33.2-166.5-175.2-99.1000113.7L95 V98 E99 M101 Y149 R173 Y255 S258 L259L95-Y297 HydrophobicContact CD2-CD2 3.99Å; L95-Y297 HydrophobicContact CD2-CE2 3.92Å; V98-Y297 HydrophobicContact CB-CE1 4.26Å; V98-Y297 HydrophobicContact CG2-CD1 4.36Å; V98-Y297 HydrophobicContact CG2-CD2 4.44Å; V98-Y297 HydrophobicContact CG2-CE1 3.81Å; V98-Y297 HydrophobicContact CG2-CE2 3.91Å; E99-Y297 PolarHBondContact OE2-OH 3.49Å; M101-Y297 HydrophobicContact CE-CE2 4.36Å; Y149-Y297 HydrophobicContact CE1-CD2 4.49Å; Y149-Y297 HydrophobicContact CE1-CE2 4.44Å; R173-Y297 PolarHBondContact NH1-O 2.56Å; Y255-Y297 WeakPolarHBondContact OH-CD2 3.33Å; S258-Y297 PolarHBondContact OG-N 3.33Å; L259-Y297 HydrophobicContact CD2-CD1 4.26Å; L259-Y297 HydrophobicContact CD2-CD2 3.56Å; L259-Y297 HydrophobicContact CD2-CE2 4.32Å; L259-Y297 HydrophobicContact CD2-CG 3.53Å
298R95.2Very high86.5Confident108 Ų10867.5 Ų67.541%0.40833%0.33SS..G310 helixtrans-94.113.3178.9-63-172179.81599.5115D261 L294 G296 D300 N301D261-R298 VanDerWaalsContact CG-NH2 3.32Å; D261-R298 IonicContact OD1-CZ 3.83Å; D261-R298 VanDerWaalsContact OD1-CZ 3.28Å; D261-R298 IonicContact OD1-NH1 2.78Å; D261-R298 PolarHBondContact OD1-NH1 3.47Å; D261-R298 IonicContact OD1-NH2 3.65Å; D261-R298 PolarHBondContact OD1-NH2 3.44Å; D261-R298 VanDerWaalsContact OD1-NH2 3.07Å; D261-R298 IonicContact OD2-CZ 2.6Å; D261-R298 IonicContact OD2-NH2 3.29Å; D261-R298 PolarHBondContact OD2-NH2 2.89Å; L294-R298 HydrophobicContact CB-CB 4.5Å; L294-R298 HydrophobicContact CD1-CB 4.38Å; G296-R298 PolarHBondContact O-N 3.39Å; G296-R298 VanDerWaalsContact O-N 3.1Å; R298-D300 WeakPolarHBondContact CA-OD1 3.31Å; R298-D300 PolarHBondContact O-N 2.03Å; R298-N301 WeakPolarHBondContact O-CB 3.22Å; R298-N301 PolarHBondContact O-N 3.29Å
299A95.6Very high87.8Confident1 Ų161 Ų611%0.00830%0.298CS..G310 helixtrans-63.3-24.3178.600000113.1F200 D202 F222 L294 G296 N301 W302F200-A299 HydrophobicContact CE1-CB 4.32Å; F200-A299 HydrophobicContact CZ-CB 4.44Å; F200-A299 WeakPolarHBondContact CZ-O 3.41Å; D202-A299 HydrophobicContact CB-CB 4.26Å; F222-A299 HydrophobicContact CE2-CB 3.87Å; F222-A299 HydrophobicContact CZ-CB 3.87Å; L294-A299 WeakPolarHBondContact O-CA 3.3Å; L294-A299 WeakPolarHBondContact O-CB 3.43Å; G296-A299 VanDerWaalsContact O-CB 3.23Å; G296-A299 WeakPolarHBondContact O-CB 3.31Å; G296-A299 PolarHBondContact O-N 3.46Å; A299-N301 PolarHBondContact O-N 2.79Å; A299-W302 WeakPolarHBondContact O-CB 3.34Å; A299-W302 PolarHBondContact O-N 3.04Å; A299-W302 VanDerWaalsContact O-N 3.1Å
300D94.3Very high88.7Confident52 Ų5261.2 Ų61.228%0.27830%0.299SS..G310 helixtrans-66.7-14.9176.653-12.8000114.4R173 F200 R298 W302 K303R173-D300 IonicContact NH1-OD1 3.5Å; R173-D300 PolarHBondContact NH1-OD1 3.09Å; R173-D300 IonicContact NH1-OD2 2.8Å; R173-D300 PolarHBondContact NH1-OD2 2.89Å; R173-D300 VanDerWaalsContact NH1-OD2 3.15Å; F200-D300 HydrophobicContact CD1-CB 3.84Å; F200-D300 HydrophobicContact CE1-CB 3.85Å; R298-D300 WeakPolarHBondContact CA-OD1 3.31Å; R298-D300 PolarHBondContact O-N 2.03Å; D300-W302 PolarHBondContact O-N 2.96Å; D300-K303 WeakPolarHBondContact O-CB 3.5Å; D300-K303 PolarHBondContact O-N 2.77Å
301N93.1Very high89.4Confident120 Ų12061.8 Ų61.864%0.64231%0.309SS*.G310 helixtrans-58.5-18167.1-70-10.3000112.9R298 A299R298-N301 WeakPolarHBondContact O-CB 3.22Å; R298-N301 PolarHBondContact O-N 3.29Å; A299-N301 PolarHBondContact O-N 2.79Å
302W91.1Very high89.5Confident11 Ų1159.8 Ų59.84%0.04229%0.294CS..G310 helixtrans-981176.4-101.246.1000114.2I220 P269 C284 S291 P293 A299 D300 D304 Y305 L306I220-W302 HydrophobicContact CD1-CE3 4.12Å; P269-W302 HydrophobicContact CG-CH2 3.54Å; P269-W302 HydrophobicContact CG-CZ3 3.74Å; C284-W302 HydrophobicContact CB-CH2 4.33Å; C284-W302 HydrophobicContact CB-CZ2 4.05Å; S291-W302 WeakPolarHBondContact O-CZ2 3.49Å; S291-W302 PolarHBondContact O-NE1 2.77Å; P293-W302 HydrophobicContact CB-CD2 3.63Å; P293-W302 HydrophobicContact CB-CE3 3.9Å; P293-W302 HydrophobicContact CB-CG 3.88Å; P293-W302 HydrophobicContact CB-CZ3 4.48Å; P293-W302 VanDerWaalsContact CD-CZ2 3.45Å; P293-W302 HydrophobicContact CG-CD2 4.08Å; P293-W302 HydrophobicContact CG-CE3 4Å; P293-W302 HydrophobicContact CG-CH2 4.29Å; P293-W302 HydrophobicContact CG-CZ2 4.33Å; P293-W302 HydrophobicContact CG-CZ3 4.09Å; A299-W302 WeakPolarHBondContact O-CB 3.34Å; A299-W302 PolarHBondContact O-N 3.04Å; A299-W302 VanDerWaalsContact O-N 3.1Å; D300-W302 PolarHBondContact O-N 2.96Å; W302-D304 PolarHBondContact O-N 2.81Å; W302-Y305 HydrophobicContact CD2-CD1 4.15Å; W302-Y305 AromaticContact CE3-CD1 3.81Å; W302-Y305 HydrophobicContact CE3-CD1 3.81Å; W302-Y305 HydrophobicContact CE3-CE1 4.27Å; W302-Y305 AromaticContact CH2-CD1 3.9Å; W302-Y305 HydrophobicContact CH2-CD1 3.9Å; W302-Y305 AromaticContact CH2-CE1 3.66Å; W302-Y305 HydrophobicContact CH2-CE1 3.66Å; W302-Y305 HydrophobicContact CZ2-CD1 4.24Å; W302-Y305 HydrophobicContact CZ2-CE1 4.31Å; W302-Y305 AromaticContact CZ3-CD1 3.7Å; W302-Y305 HydrophobicContact CZ3-CD1 3.7Å; W302-Y305 AromaticContact CZ3-CE1 3.67Å; W302-Y305 HydrophobicContact CZ3-CE1 3.67Å; W302-Y305 PolarHBondContact O-N 2.79Å; W302-L306 HydrophobicContact CB-CD1 4.17Å; W302-L306 HydrophobicContact CE3-CD1 4.3Å; W302-L306 HydrophobicContact CE3-CD2 4.06Å; W302-L306 HydrophobicContact CE3-CG 4.16Å; W302-L306 HydrophobicContact CZ3-CD2 4.34Å; W302-L306 VanDerWaalsContact O-CG 3.29Å; W302-L306 WeakPolarHBondContact O-CG 3.5Å; W302-L306 PolarHBondContact O-N 2.83Å; W302-L306 VanDerWaalsContact O-N 3.1Å
303K91.6Very high89.6Confident39 Ų3962.2 Ų62.217%0.1730%0.303CS..Hα-helixtrans-54.5-51.7-176.3177.1176.4178.5173.50112.4Q199 F200 D300 L306 R307Q199-K303 WeakPolarHBondContact O-CE 3.24Å; Q199-K303 VanDerWaalsContact OE1-NZ 3.07Å; F200-K303 HydrophobicContact CB-CB 4.44Å; F200-K303 HydrophobicContact CB-CD 3.75Å; F200-K303 HydrophobicContact CB-CG 3.9Å; F200-K303 HydrophobicContact CD2-CB 3.92Å; F200-K303 HydrophobicContact CD2-CG 4.03Å; F200-K303 HydrophobicContact CE2-CB 4.34Å; F200-K303 HydrophobicContact CG-CB 4.07Å; F200-K303 HydrophobicContact CG-CD 4.26Å; F200-K303 HydrophobicContact CG-CG 4.05Å; D300-K303 WeakPolarHBondContact O-CB 3.5Å; D300-K303 PolarHBondContact O-N 2.77Å; K303-L306 PolarHBondContact O-N 2.92Å; K303-R307 WeakPolarHBondContact O-CG 3.25Å; K303-R307 PolarHBondContact O-N 3.22Å; K303-R307 VanDerWaalsContact O-N 3.13Å
304D89.1Confident89.7Confident107 Ų10762.7 Ų62.757%0.57231%0.306SS*.Hα-helixtrans-69.6-37.9-175-65.4-34.6000112.4W302 L306 R307W302-D304 PolarHBondContact O-N 2.81Å; D304-L306 VanDerWaalsContact C-N 3.3Å; D304-L306 PolarHBondContact O-N 2.85Å; D304-R307 PolarHBondContact O-N 3.35Å; D304-R307 IonicContact OD1-NH1 2.81Å; D304-R307 PolarHBondContact OD1-NH1 2.91Å
305Y86.9Confident89.8Confident52 Ų5264.2 Ų64.220%0.20431%0.31CS..Hα-helixtrans-61.4-38.8174.5176.8-104.8000112.3G285 A286 E290 W302G285-Y305 WeakPolarHBondContact CA-OH 3.19Å; A286-Y305 PolarHBondContact N-OH 3.47Å; E290-Y305 WeakPolarHBondContact OE2-CD2 3.44Å; E290-Y305 WeakPolarHBondContact OE2-CE2 3.49Å; W302-Y305 HydrophobicContact CD2-CD1 4.15Å; W302-Y305 AromaticContact CE3-CD1 3.81Å; W302-Y305 HydrophobicContact CE3-CD1 3.81Å; W302-Y305 HydrophobicContact CE3-CE1 4.27Å; W302-Y305 AromaticContact CH2-CD1 3.9Å; W302-Y305 HydrophobicContact CH2-CD1 3.9Å; W302-Y305 AromaticContact CH2-CE1 3.66Å; W302-Y305 HydrophobicContact CH2-CE1 3.66Å; W302-Y305 HydrophobicContact CZ2-CD1 4.24Å; W302-Y305 HydrophobicContact CZ2-CE1 4.31Å; W302-Y305 AromaticContact CZ3-CD1 3.7Å; W302-Y305 HydrophobicContact CZ3-CD1 3.7Å; W302-Y305 AromaticContact CZ3-CE1 3.67Å; W302-Y305 HydrophobicContact CZ3-CE1 3.67Å; W302-Y305 PolarHBondContact O-N 2.79Å
306L87.6Confident89.9Confident1 Ų164 Ų641%0.00531%0.309CS..Hα-helixtrans-76.3-25.5-179-67.1167.7000113F200 N219 I220 W302 K303 D304 E308 K309 P312 T314F200-L306 HydrophobicContact CE2-CD1 3.87Å; N219-L306 HydrophobicContact CB-CD1 4.32Å; I220-L306 HydrophobicContact CB-CD1 3.75Å; I220-L306 HydrophobicContact CD1-CD1 4.49Å; I220-L306 HydrophobicContact CG2-CD1 4.12Å; W302-L306 HydrophobicContact CB-CD1 4.17Å; W302-L306 HydrophobicContact CE3-CD1 4.3Å; W302-L306 HydrophobicContact CE3-CD2 4.06Å; W302-L306 HydrophobicContact CE3-CG 4.16Å; W302-L306 HydrophobicContact CZ3-CD2 4.34Å; W302-L306 VanDerWaalsContact O-CG 3.29Å; W302-L306 WeakPolarHBondContact O-CG 3.5Å; W302-L306 PolarHBondContact O-N 2.83Å; W302-L306 VanDerWaalsContact O-N 3.1Å; K303-L306 PolarHBondContact O-N 2.92Å; D304-L306 VanDerWaalsContact C-N 3.3Å; D304-L306 PolarHBondContact O-N 2.85Å; L306-E308 PolarHBondContact O-N 3.37Å; L306-K309 HydrophobicContact CD2-CD 4.28Å; L306-K309 PolarHBondContact O-N 3.35Å; L306-P312 WeakPolarHBondContact O-CB 3.46Å; L306-T314 HydrophobicContact CD2-CG2 4.45Å; L306-T314 WeakPolarHBondContact CD2-OG1 3.46Å
307R82.8Confident89.9Confident132 Ų13264.4 Ų64.450%0.49831%0.311SS..Hα-helixtrans-63.6-27.6174.9-78.9171.8165.5-175.7-13.6113.1K303 D304 K309K303-R307 WeakPolarHBondContact O-CG 3.25Å; K303-R307 PolarHBondContact O-N 3.22Å; K303-R307 VanDerWaalsContact O-N 3.13Å; D304-R307 PolarHBondContact O-N 3.35Å; D304-R307 IonicContact OD1-NH1 2.81Å; D304-R307 PolarHBondContact OD1-NH1 2.91Å; R307-K309 VanDerWaalsContact C-N 3.29Å
308E81.3Confident89.8Confident169 Ų16963 Ų6379%0.7931%0.306SS*.THydrogen-bonded Turntrans-80.4-9.7179-62.9-177175.300113.2L306L306-E308 PolarHBondContact O-N 3.37Å
309K81.3Confident89.8Confident68 Ų6858.2 Ų58.230%0.29629%0.288SS..SBendtrans-86.5147.1-179.5-71.6-167.2174.5-171.20112.7L306 R307 P311 P312 T314L306-K309 HydrophobicContact CD2-CD 4.28Å; L306-K309 PolarHBondContact O-N 3.35Å; R307-K309 VanDerWaalsContact C-N 3.29Å; K309-P311 CarbonylContact O-C 3.55Å; K309-P312 WeakPolarHBondContact O-CA 3.28Å; K309-T314 PolarHBondContact NZ-OG1 2.91Å
310D79.6Confident89.8Confident161 Ų16158.4 Ų58.486%0.86129%0.289SS*.SBendtrans-128.3112.6171.6-174.724.1000111
311P82.7Confident89.8Confident76 Ų7656.4 Ų56.449%0.49428%0.28SS..SBendcis-69.7156-730.7-35000111.6K309 M313K309-P311 CarbonylContact O-C 3.55Å; P311-M313 HydrophobicContact CB-CE 3.81Å; P311-M313 HydrophobicContact CG-CE 3.91Å; P311-M313 PolarHBondContact O-N 3.02Å
312P84.4Confident89.8Confident49 Ų4955.8 Ų55.832%0.31827%0.273SS..  trans-79.249.6-177.235-38.3000111.7N219 L306 K309N219-P312 WeakPolarHBondContact CA-O 3.1Å; N219-P312 PolarHBondContact ND2-O 2.81Å; N219-P312 VanDerWaalsContact ND2-O 3.16Å; L306-P312 WeakPolarHBondContact O-CB 3.46Å; K309-P312 WeakPolarHBondContact O-CA 3.28Å
313M91.7Very high89.8Confident80 Ų8062 Ų6239%0.39430%0.303SS..  trans-126.1140.4-179-65.9-174.4-75.500110.1P195 P216 G218 N219 P311P195-M313 HydrophobicContact CG-CG 3.98Å; P195-M313 HydrophobicContact CG-SD 4.09Å; P216-M313 HydrophobicContact CB-SD 4.38Å; G218-M313 WeakPolarHBondContact O-CG 2.92Å; N219-M313 CarbonylContact O-C 3.57Å; N219-M313 WeakPolarHBondContact O-CA 3.47Å; P311-M313 HydrophobicContact CB-CE 3.81Å; P311-M313 HydrophobicContact CG-CE 3.91Å; P311-M313 PolarHBondContact O-N 3.02Å
314T94.2Very high89.7Confident10 Ų1064 Ų646%0.06132%0.316CS..EExtended strand (participates in β ladder)trans-145.4125178.6-71.40000110.7N219 I220 D221 P269 L306 K309N219-T314 PolarHBondContact O-N 2.89Å; I220-T314 CarbonylContact C-O 3.42Å; I220-T314 WeakPolarHBondContact CA-O 3.4Å; D221-T314 PolarHBondContact N-O 3.42Å; P269-T314 HydrophobicContact CB-CG2 3.85Å; P269-T314 HydrophobicContact CG-CG2 4.29Å; L306-T314 HydrophobicContact CD2-CG2 4.45Å; L306-T314 WeakPolarHBondContact CD2-OG1 3.46Å; K309-T314 PolarHBondContact NZ-OG1 2.91Å
315K96.4Very high89.9Confident77 Ų7761.2 Ų61.234%0.33530%0.303SS..EExtended strand (participates in β ladder)trans-83.8134168.9-53.8-178.2-152.5174.20109.6P216 D221 Y223 P269 C270 F317P216-K315 HydrophobicContact CG-CD 4.31Å; P216-K315 HydrophobicContact CG-CG 4.07Å; D221-K315 CarbonylContact O-C 3.56Å; D221-K315 WeakPolarHBondContact O-CA 3.33Å; Y223-K315 HydrophobicContact CD2-CB 4.31Å; Y223-K315 HydrophobicContact CE2-CB 4.09Å; Y223-K315 HydrophobicContact CE2-CD 4.26Å; Y223-K315 HydrophobicContact CE2-CG 3.98Å; P269-K315 VanDerWaalsContact CA-O 3.3Å; P269-K315 WeakPolarHBondContact CA-O 3.31Å; C270-K315 PolarHBondContact N-O 2.89Å; K315-F317 HydrophobicContact CB-CE2 3.79Å; K315-F317 HydrophobicContact CB-CZ 4.13Å; K315-F317 HydrophobicContact CD-CZ 4.31Å
316A96.5Very high90.2Very high0 Ų059.2 Ų59.20%030%0.295CS..EExtended strand (participates in β ladder)trans-127.4135.1175.900000110.7I220 D221 F222 Y223 A267 Y268 P293I220-A316 HydrophobicContact CD1-CB 4.25Å; I220-A316 HydrophobicContact CG1-CB 4.35Å; D221-A316 PolarHBondContact O-N 2.85Å; F222-A316 WeakPolarHBondContact CA-O 3.41Å; F222-A316 HydrophobicContact CD1-CB 4.07Å; F222-A316 HydrophobicContact CE1-CB 4.32Å; Y223-A316 PolarHBondContact N-O 3.13Å; A267-A316 HydrophobicContact CB-CB 3.75Å; Y268-A316 CarbonylContact O-C 3.54Å; Y268-A316 WeakPolarHBondContact O-CA 3.18Å; P293-A316 HydrophobicContact CG-CB 4.41Å
317F96.4Very high90.4Very high10 Ų1059.9 Ų59.94%0.04430%0.3CS..EExtended strand (participates in β ladder)trans-120.9148.1-175.2-61.7-87.4000111Y223 Y268 C270 Y273 Y276 K315Y223-F317 VanDerWaalsContact CB-CE1 3.47Å; Y223-F317 HydrophobicContact CD2-CE1 4.02Å; Y223-F317 HydrophobicContact CD2-CZ 4.19Å; Y223-F317 HydrophobicContact CG-CD1 4.32Å; Y223-F317 AromaticContact CG-CE1 3.81Å; Y223-F317 HydrophobicContact CG-CE1 3.81Å; Y223-F317 HydrophobicContact CG-CZ 4.4Å; Y268-F317 PolarHBondContact N-O 3.07Å; Y268-F317 PolarHBondContact O-N 3.04Å; C270-F317 HydrophobicContact CB-CD2 3.76Å; C270-F317 HydrophobicContact CB-CE2 4.22Å; C270-F317 WeakPolarHBondContact O-CE2 3.33Å; Y273-F317 HydrophobicContact CD2-CB 4.21Å; Y273-F317 AromaticContact CD2-CD1 3.74Å; Y273-F317 HydrophobicContact CD2-CD1 3.74Å; Y273-F317 HydrophobicContact CD2-CG 4.27Å; Y273-F317 HydrophobicContact CG-CD1 4.14Å; Y276-F317 HydrophobicContact CD1-CB 3.77Å; Y276-F317 HydrophobicContact CD2-CB 4.16Å; Y276-F317 HydrophobicContact CE1-CB 4.42Å; Y276-F317 HydrophobicContact CG-CB 3.64Å; K315-F317 HydrophobicContact CB-CE2 3.79Å; K315-F317 HydrophobicContact CB-CZ 4.13Å; K315-F317 HydrophobicContact CD-CZ 4.31Å
318F95.2Very high90.9Very high1 Ų155.1 Ų55.10%0.00428%0.283CS..EExtended strand (participates in β ladder)trans-161.5163.6172.456.4-78.3000108.5F222 P224 N225 I265 A267 Y276 L295 T320F222-F318 HydrophobicContact CB-CE1 4.04Å; F222-F318 HydrophobicContact CD1-CE1 4.07Å; F222-F318 HydrophobicContact CG-CE1 4.49Å; P224-F318 HydrophobicContact CB-CD2 4.49Å; P224-F318 HydrophobicContact CB-CE1 4.39Å; P224-F318 HydrophobicContact CB-CE2 3.71Å; P224-F318 HydrophobicContact CB-CZ 3.64Å; P224-F318 HydrophobicContact CG-CZ 4.26Å; N225-F318 PolarHBondContact N-O 2.75Å; I265-F318 HydrophobicContact CG2-CD2 3.45Å; I265-F318 VanDerWaalsContact CG2-CD2 3.45Å; I265-F318 HydrophobicContact CG2-CE2 3.56Å; I265-F318 HydrophobicContact CG2-CG 4.11Å; I265-F318 HydrophobicContact CG2-CZ 4.32Å; A267-F318 HydrophobicContact CB-CD1 3.5Å; A267-F318 VanDerWaalsContact CB-CD1 3.5Å; A267-F318 HydrophobicContact CB-CE1 4.03Å; A267-F318 HydrophobicContact CB-CG 4.36Å; Y276-F318 WeakPolarHBondContact OH-CA 3.48Å; L295-F318 HydrophobicContact CB-CZ 4.44Å; L295-F318 HydrophobicContact CD1-CE1 3.93Å; L295-F318 HydrophobicContact CD1-CZ 3.61Å; L295-F318 HydrophobicContact CD2-CE1 4.35Å; L295-F318 HydrophobicContact CD2-CE2 3.65Å; L295-F318 HydrophobicContact CD2-CZ 3.37Å; L295-F318 HydrophobicContact CG-CZ 3.99Å; F318-T320 HydrophobicContact CD2-CG2 3.71Å; F318-T320 HydrophobicContact CE2-CG2 3.48Å; F318-T320 VanDerWaalsContact CE2-CG2 3.48Å
319D94.8Very high91.4Very high6 Ų649.8 Ų49.83%0.03226%0.257CS..  trans-106156170.8-62.7-66.7000110.3N225 Y273 Y276 R277 M328 R381N225-D319 WeakPolarHBondContact OD1-CA 3.36Å; Y273-D319 PolarHBondContact OH-OD1 2.52Å; Y276-D319 VanDerWaalsContact CE1-OD2 3.25Å; Y276-D319 WeakPolarHBondContact CE1-OD2 3.34Å; Y276-D319 PolarHBondContact OH-N 3.05Å; Y276-D319 PolarHBondContact OH-OD2 3.32Å; R277-D319 IonicContact NH1-OD1 3.51Å; D319-M328 HydrophobicContact CB-CE 4.35Å; D319-M328 HydrophobicContact CB-CG 4.5Å; D319-M328 WeakPolarHBondContact O-CB 3.1Å; D319-M328 VanDerWaalsContact O-CG 3.25Å; D319-M328 WeakPolarHBondContact O-CG 3.42Å; D319-R381 IonicContact OD1-NH1 3.73Å; D319-R381 WeakPolarHBondContact OD2-CD 3.32Å; D319-R381 IonicContact OD2-CZ 2.75Å; D319-R381 IonicContact OD2-NE 3.77Å; D319-R381 IonicContact OD2-NH1 3.63Å; D319-R381 PolarHBondContact OD2-NH1 2.82Å
320T95.4Very high91.8Very high5 Ų547 Ų473%0.03125%0.245CC..  trans-126156179.271.50000111.5P224 N225 L254 F318 F326 M328P224-T320 HydrophobicContact CB-CG2 4.16Å; N225-T320 PolarHBondContact ND2-OG1 3.1Å; N225-T320 PolarHBondContact OD1-N 2.84Å; L254-T320 HydrophobicContact CD1-CG2 4.48Å; L254-T320 HydrophobicContact CD2-CG2 3.82Å; F318-T320 HydrophobicContact CD2-CG2 3.71Å; F318-T320 HydrophobicContact CE2-CG2 3.48Å; F318-T320 VanDerWaalsContact CE2-CG2 3.48Å; T320-F326 WeakPolarHBondContact CA-O 3.23Å; T320-F326 WeakPolarHBondContact CB-O 3.33Å; T320-M328 VanDerWaalsContact CA-CG 3.45Å
321A94.3Very high92.5Very high11 Ų1140 Ų409%0.09121%0.206CC..  trans-72.7169.9164.100000110.5F326 M328 N383A321-F326 PolarHBondContact N-O 2.97Å; A321-F326 VanDerWaalsContact N-O 3.07Å; A321-M328 HydrophobicContact CB-SD 4.24Å; A321-N383 HydrophobicContact CB-CB 4.31Å
322E93.2Very high93.1Very high106 Ų10637 Ų3750%0.49519%0.185SC..SBendtrans-72.6-34.1-18054-177.6-172.500113.8P231 R250 F326P231-E322 HydrophobicContact CB-CB 4Å; P231-E322 WeakPolarHBondContact O-CA 3.49Å; R250-E322 PolarHBondContact NH1-O 3.1Å; E322-F326 WeakPolarHBondContact O-CE1 3.39Å
323E90.8Very high93.6Very high143 Ų14334.7 Ų34.767%0.66817%0.17SC*.SBendtrans-118.6156.6-173.2-73.4-178.4-177.400112.4F326E323-F326 VanDerWaalsContact O-CA 3.27Å; E323-F326 WeakPolarHBondContact O-CA 3.43Å; E323-F326 WeakPolarHBondContact O-CD1 3.31Å; E323-F326 PolarHBondContact O-N 3.31Å
324N89.3Confident93.8Very high81 Ų8131.6 Ų31.643%0.43316%0.155SC..THydrogen-bonded Turntrans-57.2130.1176.1-175.9-34.6000109.4F326N324-F326 HydrophobicContact CB-CE1 4.4Å; N324-F326 HydrophobicContact CB-CE2 4.07Å; N324-F326 HydrophobicContact CB-CZ 3.96Å
325P92.9Very high93.9Very high47 Ų4731.1 Ų31.131%0.30515%0.152SC..THydrogen-bonded Turncis-94.616.318.419-2.5000116.4S257 S262 C263 C327S257-P325 PolarHBondContact OG-O 3.16Å; S262-P325 WeakPolarHBondContact OG-CB 3.17Å; C263-P325 PolarHBondContact SG-O 2.83Å; C263-P325 VanDerWaalsContact SG-O 3.41Å; P325-C327 VanDerWaalsContact CB-SG 3.56Å; P325-C327 VanDerWaalsContact CG-SG 3.5Å; P325-C327 PolarHBondContact O-N 3.14Å
326F94.3Very high93.9Very high11 Ų1129 Ų295%0.04815%0.145CC..  trans66.413.2174.8-48.6-61.7000114.7R250 L254 I265 T320 A321 E322 E323 N324R250-F326 VanDerWaalsContact NH1-CD1 3.31Å; L254-F326 HydrophobicContact CD2-CB 3.83Å; L254-F326 HydrophobicContact CD2-CD2 3.86Å; L254-F326 HydrophobicContact CD2-CG 3.95Å; I265-F326 HydrophobicContact CD1-CB 4.31Å; T320-F326 WeakPolarHBondContact CA-O 3.23Å; T320-F326 WeakPolarHBondContact CB-O 3.33Å; A321-F326 PolarHBondContact N-O 2.97Å; A321-F326 VanDerWaalsContact N-O 3.07Å; E322-F326 WeakPolarHBondContact O-CE1 3.39Å; E323-F326 VanDerWaalsContact O-CA 3.27Å; E323-F326 WeakPolarHBondContact O-CA 3.43Å; E323-F326 WeakPolarHBondContact O-CD1 3.31Å; E323-F326 PolarHBondContact O-N 3.31Å; N324-F326 HydrophobicContact CB-CE1 4.4Å; N324-F326 HydrophobicContact CB-CE2 4.07Å; N324-F326 HydrophobicContact CB-CZ 3.96Å
327C91.5Very high93.8Very high14 Ų1429 Ų2910%0.09515%0.145CC..  trans-68.7144.1-173.9-35.70000111.9C263 P325 Y329C263-C327 HydrophobicContact CB-CB 3.82Å; C263-C327 WeakPolarHBondContact CB-SG 3.45Å; C263-C327 WeakPolarHBondContact SG-CB 3.3Å; C263-C327 CovalentContact SG-SG 2.03Å; C263-C327 PolarHBondContact SG-SG 2.96Å; P325-C327 VanDerWaalsContact CB-SG 3.56Å; P325-C327 VanDerWaalsContact CG-SG 3.5Å; P325-C327 PolarHBondContact O-N 3.14Å; C327-Y329 HydrophobicContact CB-CE2 4.2Å
328M92.4Very high93.5Very high32 Ų3233.4 Ų33.416%0.15816%0.161CC..  trans-135.4133.7174.7-74.1-66.1-8400110.6D319 T320 A321 H330 R381 N383D319-M328 HydrophobicContact CB-CE 4.35Å; D319-M328 HydrophobicContact CB-CG 4.5Å; D319-M328 WeakPolarHBondContact O-CB 3.1Å; D319-M328 VanDerWaalsContact O-CG 3.25Å; D319-M328 WeakPolarHBondContact O-CG 3.42Å; T320-M328 VanDerWaalsContact CA-CG 3.45Å; A321-M328 HydrophobicContact CB-SD 4.24Å; M328-H330 PolarHBondContact O-ND1 2.75Å; M328-R381 HydrophobicContact CE-CB 3.74Å; M328-N383 HydrophobicContact SD-CB 4.3Å; M328-N383 PolarHBondContact SD-OD1 3.24Å
329Y91.3Very high93Very high58 Ų5834 Ų3423%0.22716%0.164CC..EExtended strand (participates in β ladder)trans-107.6121-176.6-57.4-83.8000110C327 R381 F382 D385 A419C327-Y329 HydrophobicContact CB-CE2 4.2Å; Y329-R381 WeakPolarHBondContact O-CA 3.39Å; Y329-F382 PolarHBondContact N-O 3.39Å; Y329-F382 PolarHBondContact O-N 2.84Å; Y329-D385 HydrophobicContact CD1-CB 3.54Å; Y329-D385 HydrophobicContact CD2-CB 3.75Å; Y329-D385 HydrophobicContact CE1-CB 3.55Å; Y329-D385 HydrophobicContact CE2-CB 3.77Å; Y329-D385 VanDerWaalsContact CE2-N 3.29Å; Y329-D385 HydrophobicContact CG-CB 3.62Å; Y329-A419 HydrophobicContact CD1-CB 4.27Å
330H91.2Very high92.5Very high10 Ų1043.6 Ų43.65%0.04621%0.206CC..EExtended strand (participates in β ladder)trans-100.7135-169.6-63.974.8000110.6Y276 M328 L379 A380 R381 L418Y276-H330 PolarHBondContact OH-NE2 2.86Å; M328-H330 PolarHBondContact O-ND1 2.75Å; H330-L379 HydrophobicContact CB-CD1 4.26Å; H330-A380 CarbonylContact C-O 3.6Å; H330-A380 WeakPolarHBondContact CA-O 3.26Å; H330-R381 VanDerWaalsContact CD2-CG 3.5Å; H330-R381 WeakPolarHBondContact CD2-CG 3.23Å; H330-L418 HydrophobicContact CB-CB 4.02Å; H330-L418 HydrophobicContact CB-CD1 3.99Å; H330-L418 WeakPolarHBondContact O-CB 3.26Å; H330-L418 PolarHBondContact O-N 3.48Å
331Y93.3Very high92.2Very high12 Ų1248 Ų485%0.04723%0.229CC..EExtended strand (participates in β ladder)trans-136.1139.9177.5-73.1-105.4000110A380 F382 D385 L415 R416 S417 R423Y331-A380 PolarHBondContact N-O 3.22Å; Y331-A380 PolarHBondContact O-N 3.31Å; Y331-F382 AromaticContact CD2-CD2 3.64Å; Y331-F382 HydrophobicContact CD2-CD2 3.64Å; Y331-F382 AromaticContact CD2-CE2 3.82Å; Y331-F382 HydrophobicContact CD2-CE2 3.82Å; Y331-F382 HydrophobicContact CE2-CD2 4.16Å; Y331-F382 HydrophobicContact CG-CD2 4.41Å; Y331-F382 HydrophobicContact CG-CE2 4.14Å; Y331-D385 PolarHBondContact OH-OD1 3.04Å; Y331-L415 HydrophobicContact CD1-CD1 4.07Å; Y331-L415 HydrophobicContact CD1-CD2 4.32Å; Y331-L415 HydrophobicContact CD1-CG 3.89Å; Y331-L415 HydrophobicContact CG-CD1 4.3Å; Y331-R416 CarbonylContact C-O 3.49Å; Y331-R416 VanDerWaalsContact CA-O 3.22Å; Y331-R416 WeakPolarHBondContact CA-O 3.49Å; Y331-S417 VanDerWaalsContact CD1-CA 3.47Å; Y331-S417 VanDerWaalsContact CE1-CB 3.44Å; Y331-R423 PolarHBondContact OH-NH1 2.98Å; Y331-R423 VanDerWaalsContact OH-NH1 3.12Å
332F94.9Very high92.1Very high14 Ų1453 Ų536%0.06125%0.253CS..EExtended strand (participates in β ladder)trans-83.2134162.8-85.4-64.3000111.2V282 L378 L415 R416 L418V282-F332 HydrophobicContact CB-CE2 3.78Å; V282-F332 HydrophobicContact CB-CZ 3.87Å; V282-F332 HydrophobicContact CG1-CE1 4.46Å; V282-F332 HydrophobicContact CG1-CE2 3.65Å; V282-F332 HydrophobicContact CG1-CZ 3.37Å; V282-F332 HydrophobicContact CG2-CE2 3.58Å; V282-F332 HydrophobicContact CG2-CZ 3.56Å; F332-L378 CarbonylContact C-O 3.58Å; F332-L378 WeakPolarHBondContact CA-O 3.42Å; F332-L415 CarbonylContact O-C 3.51Å; F332-L415 VanDerWaalsContact O-CA 3.31Å; F332-L415 WeakPolarHBondContact O-CA 3.26Å; F332-R416 HydrophobicContact CB-CB 4.32Å; F332-R416 PolarHBondContact N-O 3.08Å; F332-R416 PolarHBondContact O-N 3.15Å; F332-L418 HydrophobicContact CD2-CD1 3.77Å; F332-L418 HydrophobicContact CD2-CD2 3.75Å; F332-L418 HydrophobicContact CD2-CG 3.88Å; F332-L418 HydrophobicContact CE2-CD1 3.68Å; F332-L418 HydrophobicContact CE2-CD2 3.74Å; F332-L418 HydrophobicContact CE2-CG 4.1Å; F332-L418 HydrophobicContact CZ-CD1 4.41Å
333V95.9Very high92.1Very high0 Ų050.5 Ų50.50%024%0.239CC..EExtended strand (participates in β ladder)trans-111.594.7169.5-175.50000107.4I335 I349 L378 A380 M413 K414 L415V333-I335 HydrophobicContact CG1-CD1 3.91Å; V333-I335 HydrophobicContact CG1-CG1 3.91Å; V333-I349 HydrophobicContact CG2-CD1 3.78Å; V333-I349 HydrophobicContact CG2-CG2 4.5Å; V333-L378 HydrophobicContact CB-CB 4.31Å; V333-L378 PolarHBondContact N-O 2.82Å; V333-L378 PolarHBondContact O-N 2.78Å; V333-A380 HydrophobicContact CG2-CB 3.72Å; V333-M413 HydrophobicContact CG1-CE 3.73Å; V333-M413 HydrophobicContact CG1-CG 4.12Å; V333-K414 CarbonylContact C-O 3.6Å; V333-K414 WeakPolarHBondContact CA-O 3.29Å; V333-L415 HydrophobicContact CG2-CD1 3.68Å
334D95.8Very high92.2Very high15 Ų1550.4 Ų50.48%0.0823%0.233CC..EExtended strand (participates in β ladder)trans-86.1122.5176.6-54.5-43.2000109.5Q375 V376 S377 M413 K414D334-Q375 HydrophobicContact CB-CG 4.26Å; D334-V376 CarbonylContact C-O 3.57Å; D334-V376 VanDerWaalsContact CA-O 3.31Å; D334-V376 WeakPolarHBondContact CA-O 3.24Å; D334-S377 VanDerWaalsContact OD1-CB 3.25Å; D334-S377 WeakPolarHBondContact OD1-CB 3.35Å; D334-S377 PolarHBondContact OD1-OG 2.8Å; D334-M413 CarbonylContact O-C 3.58Å; D334-M413 VanDerWaalsContact O-CA 3.28Å; D334-M413 WeakPolarHBondContact O-CA 3.43Å; D334-K414 HydrophobicContact CB-CB 4.19Å; D334-K414 PolarHBondContact N-O 3.34Å; D334-K414 PolarHBondContact O-N 2.76Å
335I96.4Very high92.4Very high0 Ų046.6 Ų46.60%021%0.213CC..EExtended strand (participates in β ladder)trans-123.9124.3-176.5-62.6175.8000109.7V333 T337 I347 F370 Q375 V376 L378 I410 R412 M413V333-I335 HydrophobicContact CG1-CD1 3.91Å; V333-I335 HydrophobicContact CG1-CG1 3.91Å; I335-T337 HydrophobicContact CG2-CG2 3.58Å; I335-I347 HydrophobicContact CD1-CD1 4.45Å; I335-I347 HydrophobicContact CD1-CG1 4.24Å; I335-F370 HydrophobicContact CD1-CE1 4.3Å; I335-F370 HydrophobicContact CG2-CD1 4.4Å; I335-F370 HydrophobicContact CG2-CE1 4.27Å; I335-Q375 WeakPolarHBondContact O-CA 3.45Å; I335-V376 HydrophobicContact CB-CG2 3.97Å; I335-V376 PolarHBondContact N-O 2.98Å; I335-V376 PolarHBondContact O-N 2.73Å; I335-L378 HydrophobicContact CD1-CD1 4.25Å; I335-I410 HydrophobicContact CD1-CD1 4.42Å; I335-I410 HydrophobicContact CG2-CB 4.4Å; I335-I410 HydrophobicContact CG2-CD1 3.94Å; I335-I410 HydrophobicContact CG2-CG1 3.79Å; I335-I410 HydrophobicContact CG2-CG2 3.91Å; I335-R412 WeakPolarHBondContact CA-O 3.48Å; I335-M413 HydrophobicContact CG1-CG 4.3Å
336I96.7Very high92.6Very high33 Ų3345.9 Ų45.917%0.16921%0.206CC..EExtended strand (participates in β ladder)trans-104.9125.9167.3-59.9179000108.4Q375 I410 L411 R412I336-Q375 HydrophobicContact CD1-CB 4.49Å; I336-Q375 HydrophobicContact CG1-CB 3.85Å; I336-Q375 HydrophobicContact CG1-CG 3.97Å; I336-I410 CarbonylContact O-C 3.6Å; I336-L411 HydrophobicContact CG2-CB 4.36Å; I336-L411 HydrophobicContact CG2-CD1 4.19Å; I336-L411 PolarHBondContact O-N 2.74Å; I336-R412 HydrophobicContact CB-CB 4.43Å; I336-R412 PolarHBondContact N-O 2.84Å; I336-R412 PolarHBondContact O-N 2.83Å
337T94.6Very high92.7Very high1 Ų145.4 Ų45.41%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-112.1156.6-177.275.90000114.4I335 N339 F370 Q371 Y373 L408 R409 I410I335-T337 HydrophobicContact CG2-CG2 3.58Å; T337-N339 VanDerWaalsContact CB-ND2 3.26Å; T337-N339 WeakPolarHBondContact CB-ND2 3.36Å; T337-N339 PolarHBondContact OG1-ND2 3.19Å; T337-F370 HydrophobicContact CG2-CB 3.99Å; T337-F370 HydrophobicContact CG2-CD1 3.68Å; T337-F370 HydrophobicContact CG2-CG 4.22Å; T337-Q371 PolarHBondContact OG1-O 3.25Å; T337-Y373 PolarHBondContact O-N 3.3Å; T337-L408 HydrophobicContact CG2-CD1 4.36Å; T337-R409 CarbonylContact C-O 3.47Å; T337-R409 VanDerWaalsContact CA-O 3.29Å; T337-R409 WeakPolarHBondContact CA-O 3.43Å; T337-R409 VanDerWaalsContact CB-O 3.3Å; T337-R409 WeakPolarHBondContact CB-O 3.45Å; T337-I410 HydrophobicContact CG2-CG1 4.33Å
338W89.5Confident93Very high102 Ų10245.6 Ų45.639%0.38621%0.205SC..  trans-126.576171.4-173.685.4000109.5Y373 R409 L411W338-Y373 AromaticContact CD1-CE1 3.44Å; W338-Y373 VanDerWaalsContact CD1-CE1 3.44Å; W338-Y373 AromaticContact CD1-CZ 3.53Å; W338-Y373 AromaticContact NE1-CZ 3.73Å; W338-Y373 PolarHBondContact NE1-OH 2.92Å; W338-Y373 VanDerWaalsContact NE1-OH 3.12Å; W338-R409 VanDerWaalsContact CE3-CD 3.44Å; W338-R409 VanDerWaalsContact CE3-NH1 3.28Å; W338-R409 PolarHBondContact N-O 2.93Å; W338-L411 HydrophobicContact CB-CD1 3.9Å; W338-L411 HydrophobicContact CB-CD2 3.66Å; W338-L411 HydrophobicContact CB-CG 3.68Å; W338-L411 HydrophobicContact CG-CD2 4.33Å
339N85.4Confident93.2Very high13 Ų1344.1 Ų44.17%0.0720%0.197CC..  trans-109.3135.5176.7-59.5-66.8000109.5T337 N341 R343 K372 L408 R409T337-N339 VanDerWaalsContact CB-ND2 3.26Å; T337-N339 WeakPolarHBondContact CB-ND2 3.36Å; T337-N339 PolarHBondContact OG1-ND2 3.19Å; N339-N341 VanDerWaalsContact C-N 3.3Å; N339-N341 VanDerWaalsContact CB-O 3.25Å; N339-N341 WeakPolarHBondContact CB-O 3.19Å; N339-R343 HydrophobicContact CB-CG 4.29Å; N339-K372 WeakPolarHBondContact O-CB 3.22Å; N339-L408 WeakPolarHBondContact ND2-CD1 3.21Å; N339-R409 PolarHBondContact OD1-N 2.83Å
340K84.2Confident93.5Very high207 Ų20743.8 Ų43.890%0.920%0.197SC*.SBendtrans-62.8-40.5175.8-174.5179.8178.3-178.20111.2
341N89.1Confident93.8Very high99 Ų9943.4 Ų43.453%0.52920%0.195SC..SBendtrans-110.6151.1176.7-60.3-15.6000109.5N339 R343N339-N341 VanDerWaalsContact C-N 3.3Å; N339-N341 VanDerWaalsContact CB-O 3.25Å; N339-N341 WeakPolarHBondContact CB-O 3.19Å; N341-R343 PolarHBondContact O-N 3.3Å
342I92.1Very high94Very high115 Ų11548.1 Ų48.159%0.5921%0.213SC*.  trans-59.9135.2173-62.2174.3000109.1T369 Q371I342-T369 HydrophobicContact CG2-CG2 3.52Å; I342-Q371 HydrophobicContact CG1-CB 4.37Å
343R92.2Very high94.1Very high53 Ų5348.8 Ų48.820%0.222%0.218CC..EExtended strand (participates in β ladder)trans-114.5135.2172.2-59.5-57.8-172-168.21.3108.7N339 N341 F370 F396 Y406 K407 L408N339-R343 HydrophobicContact CB-CG 4.29Å; N341-R343 PolarHBondContact O-N 3.3Å; R343-F370 HydrophobicContact CB-CB 4.29Å; R343-F370 PolarHBondContact N-O 2.03Å; R343-F370 PolarHBondContact O-N 2.99Å; R343-F396 HydrophobicContact CB-CZ 4.12Å; R343-Y406 VanDerWaalsContact NH1-CE1 3.28Å; R343-K407 PolarHBondContact NE-O 3.04Å; R343-L408 HydrophobicContact CB-CD1 3.82Å; R343-L408 HydrophobicContact CG-CD1 3.94Å
344R93.4Very high94Very high142 Ų14258.2 Ų58.254%0.53626%0.258SS..EExtended strand (participates in β ladder)trans-120.6130.3173.3-167176.7-177.4-173-2109.2P367 T368 T398R344-P367 HydrophobicContact CG-CB 3.78Å; R344-P367 PolarHBondContact NE-O 2.85Å; R344-T368 CarbonylContact C-O 3.59Å; R344-T368 VanDerWaalsContact CA-O 3.26Å; R344-T368 WeakPolarHBondContact CA-O 3.42Å; R344-T398 WeakPolarHBondContact O-CG2 3.08Å
345G94.1Very high94Very high1 Ų161.5 Ų61.51%0.0129%0.288CS..EExtended strand (participates in β ladder)trans172.1-174.7-178.600000113.5T368 S397G345-T368 PolarHBondContact N-O 3.4Å; G345-T368 PolarHBondContact O-N 3Å; G345-S397 CarbonylContact C-O 3.42Å; G345-S397 WeakPolarHBondContact CA-O 3.48Å
346D95.6Very high93.9Very high32 Ų3263.6 Ų63.617%0.17131%0.31CS..EExtended strand (participates in β ladder)trans-105.4155.7-173.5-57.9-34.3000111.1I363 N364 P367 F396 S397D346-I363 WeakPolarHBondContact CB-O 3.33Å; D346-N364 HydrophobicContact CB-CB 4.03Å; D346-P367 WeakPolarHBondContact OD1-CA 3.27Å; D346-F396 WeakPolarHBondContact O-CA 3.42Å; D346-S397 PolarHBondContact N-O 3.39Å; D346-S397 PolarHBondContact O-N 2.79Å
347I96.9Very high93.8Very high1 Ų165.7 Ų65.71%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-117.3129.1173.8-63.2-67.3000108.7I335 I363 F370 L378 L394 M395 F396 L408 L433I335-I347 HydrophobicContact CD1-CD1 4.45Å; I335-I347 HydrophobicContact CD1-CG1 4.24Å; I347-I363 WeakPolarHBondContact O-CB 3.43Å; I347-I363 PolarHBondContact O-N 3.24Å; I347-F370 HydrophobicContact CD1-CZ 3.96Å; I347-F370 HydrophobicContact CG1-CE1 4.37Å; I347-F370 HydrophobicContact CG1-CE2 4.37Å; I347-F370 HydrophobicContact CG1-CZ 3.6Å; I347-L378 HydrophobicContact CB-CD1 4.05Å; I347-L378 HydrophobicContact CG1-CD1 3.85Å; I347-L394 HydrophobicContact CG2-CD2 3.99Å; I347-M395 WeakPolarHBondContact CA-O 2.9Å; I347-F396 HydrophobicContact CD1-CB 4.08Å; I347-F396 HydrophobicContact CD1-CD2 4.04Å; I347-L408 HydrophobicContact CD1-CD2 4.21Å; I347-L433 HydrophobicContact CD1-CD1 4.31Å
348T97.6Very high93.9Very high18 Ų1868.4 Ų68.411%0.1134%0.338CS..EExtended strand (participates in β ladder)trans-104.8131.7162.9-57.60000108.2E360 S361 K362 L394 M395T348-E360 HydrophobicContact CG2-CG 3.74Å; T348-S361 WeakPolarHBondContact CA-O 2.98Å; T348-K362 HydrophobicContact CG2-CG 3.9Å; T348-L394 WeakPolarHBondContact O-CA 3.33Å; T348-M395 HydrophobicContact CG2-CE 4.45Å; T348-M395 PolarHBondContact N-O 3.14Å; T348-M395 PolarHBondContact O-N 2.9Å
349I97.8Very high94.2Very high0 Ų064.1 Ų64.10%032%0.323CS..EExtended strand (participates in β ladder)trans-120.5133.5176.7-178.2169.2000109.6V333 L351 E360 S361 A380 F382 V392 S393 L394 M413 L415V333-I349 HydrophobicContact CG2-CD1 3.78Å; V333-I349 HydrophobicContact CG2-CG2 4.5Å; I349-L351 HydrophobicContact CD1-CD2 4.09Å; I349-L351 HydrophobicContact CG1-CD2 4.12Å; I349-E360 CarbonylContact O-C 3.53Å; I349-E360 WeakPolarHBondContact O-CA 3.04Å; I349-S361 PolarHBondContact N-O 3.02Å; I349-S361 PolarHBondContact O-N 3.41Å; I349-A380 HydrophobicContact CG2-CB 3.83Å; I349-F382 HydrophobicContact CD1-CZ 4.45Å; I349-F382 HydrophobicContact CG1-CZ 4.28Å; I349-F382 HydrophobicContact CG2-CE1 4.13Å; I349-F382 HydrophobicContact CG2-CZ 3.66Å; I349-V392 HydrophobicContact CD1-CG1 4.06Å; I349-V392 HydrophobicContact CG1-CG1 4.08Å; I349-S393 CarbonylContact C-O 3.55Å; I349-S393 VanDerWaalsContact CA-O 3.31Å; I349-S393 WeakPolarHBondContact CA-O 3.4Å; I349-L394 HydrophobicContact CB-CD2 3.74Å; I349-L394 HydrophobicContact CD1-CD2 4.02Å; I349-L394 HydrophobicContact CG1-CD2 3.78Å; I349-M413 HydrophobicContact CD1-CE 3.76Å; I349-L415 HydrophobicContact CD1-CD1 3.83Å
350K97.8Very high94.7Very high52 Ų5267.5 Ų67.523%0.22634%0.338CS..EExtended strand (participates in β ladder)trans-126.2131.5174.5175.2177.6-174.7173.20110.1T358 T359 E360 V392 S393K350-T358 VanDerWaalsContact CE-CB 3.49Å; K350-T359 CarbonylContact C-O 3.58Å; K350-T359 VanDerWaalsContact CA-O 3.31Å; K350-T359 WeakPolarHBondContact CA-O 3.4Å; K350-E360 HydrophobicContact CB-CB 4.31Å; K350-E360 HydrophobicContact CB-CG 4.35Å; K350-E360 HydrophobicContact CG-CB 4.44Å; K350-V392 CarbonylContact O-C 3.43Å; K350-V392 WeakPolarHBondContact O-CA 3.34Å; K350-S393 PolarHBondContact N-O 3.06Å; K350-S393 PolarHBondContact O-N 3.26Å
351L97.4Very high95.3Very high1 Ų157.9 Ų57.91%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-104.8145178.1-52.2-177.8000108.9I349 T358 T359 F382 L386 V389 V392 L415I349-L351 HydrophobicContact CD1-CD2 4.09Å; I349-L351 HydrophobicContact CG1-CD2 4.12Å; L351-T358 WeakPolarHBondContact O-CA 3.19Å; L351-T359 HydrophobicContact CB-CG2 3.92Å; L351-T359 HydrophobicContact CD1-CG2 4.29Å; L351-T359 HydrophobicContact CG-CG2 4.35Å; L351-T359 PolarHBondContact N-O 2.77Å; L351-T359 PolarHBondContact O-N 3.19Å; L351-F382 HydrophobicContact CD1-CD1 4.47Å; L351-F382 HydrophobicContact CD1-CD2 4.18Å; L351-F382 HydrophobicContact CD1-CE1 4.03Å; L351-F382 HydrophobicContact CD1-CE2 3.72Å; L351-F382 HydrophobicContact CD1-CZ 3.62Å; L351-F382 HydrophobicContact CD2-CZ 4.28Å; L351-F382 HydrophobicContact CG-CE1 3.82Å; L351-F382 HydrophobicContact CG-CE2 4.28Å; L351-F382 HydrophobicContact CG-CZ 3.65Å; L351-L386 HydrophobicContact CB-CD1 3.81Å; L351-V389 HydrophobicContact CB-CG1 4.35Å; L351-V389 HydrophobicContact CB-CG2 4.41Å; L351-V389 HydrophobicContact CD1-CG2 4.11Å; L351-V389 HydrophobicContact CD2-CG1 4.16Å; L351-V392 HydrophobicContact CD2-CG1 4.26Å; L351-V392 HydrophobicContact CD2-CG2 3.85Å; L351-L415 HydrophobicContact CD1-CD2 4.44Å; L351-L415 HydrophobicContact CD2-CD2 3.76Å
352R97.3Very high95.6Very high111 Ų11158.7 Ų58.742%0.41930%0.296SS..EExtended strand (participates in β ladder)trans-135.4136.1174.2-171.1-173.8-61.7-179.92.4110.6N357 T358 A390 A391R352-N357 VanDerWaalsContact CA-O 3.26Å; R352-N357 WeakPolarHBondContact CA-O 3.34Å; R352-T358 HydrophobicContact CB-CG2 3.94Å; R352-T358 HydrophobicContact CG-CG2 3.73Å; R352-A390 WeakPolarHBondContact O-CA 3.31Å; R352-A390 PolarHBondContact O-N 3.36Å; R352-A391 HydrophobicContact CB-CB 4.31Å; R352-A391 PolarHBondContact N-O 3.12Å; R352-A391 PolarHBondContact O-N 3.42Å
353D95.8Very high95.7Very high29 Ų2953.3 Ų53.316%0.15527%0.268CS..  trans-89-177.2172.774.29000112.4A355 G356 N357 L386 K388D353-A355 VanDerWaalsContact C-N 3.31Å; D353-A355 WeakPolarHBondContact OD1-CA 3.25Å; D353-A355 WeakPolarHBondContact OD1-CB 3.31Å; D353-A355 PolarHBondContact OD1-N 3.03Å; D353-G356 PolarHBondContact O-N 2.78Å; D353-G356 PolarHBondContact OD1-N 3.33Å; D353-N357 PolarHBondContact N-O 3.13Å; D353-N357 PolarHBondContact OD1-N 2.75Å; D353-N357 WeakPolarHBondContact OD2-CB 3.46Å; D353-N357 PolarHBondContact OD2-ND2 3.09Å; D353-L386 HydrophobicContact CB-CD1 4.47Å; D353-L386 HydrophobicContact CB-CD2 4.5Å; D353-K388 WeakPolarHBondContact CB-O 3.37Å
354K94.8Very high95.7Very high197 Ų19755.1 Ų55.186%0.85728%0.282SS*.THydrogen-bonded Turntrans-73-21.8177.6-67.6-170.2178.5-177.40113.7G356 A390K354-G356 VanDerWaalsContact C-N 3.28Å; K354-A390 HydrophobicContact CG-CB 3.7Å
355A95.4Very high95.5Very high85 Ų8551.4 Ų51.470%0.70227%0.27SS*.THydrogen-bonded Turntrans-81.3-12.417800000112.2D353D353-A355 VanDerWaalsContact C-N 3.31Å; D353-A355 WeakPolarHBondContact OD1-CA 3.25Å; D353-A355 WeakPolarHBondContact OD1-CB 3.31Å; D353-A355 PolarHBondContact OD1-N 3.03Å
356G93.9Very high95.4Very high44 Ų4454.9 Ų54.945%0.45429%0.286SS..  trans96.22.3-179.200000113.9D353 K354D353-G356 PolarHBondContact O-N 2.78Å; D353-G356 PolarHBondContact OD1-N 3.33Å; K354-G356 VanDerWaalsContact C-N 3.28Å
357N95.9Very high95.3Very high77 Ų7756 Ų5641%0.41230%0.295SS..  trans-65.2141.2173.5-57.3-52000109.4R352 D353 L386R352-N357 VanDerWaalsContact CA-O 3.26Å; R352-N357 WeakPolarHBondContact CA-O 3.34Å; D353-N357 PolarHBondContact N-O 3.13Å; D353-N357 PolarHBondContact OD1-N 2.75Å; D353-N357 WeakPolarHBondContact OD2-CB 3.46Å; D353-N357 PolarHBondContact OD2-ND2 3.09Å; N357-L386 HydrophobicContact CB-CD2 4.21Å
358T95.9Very high95.1Very high58 Ų5857 Ų5736%0.35630%0.302SS..EExtended strand (participates in β ladder)trans-132145.1-179.2630000112.4K350 L351 R352K350-T358 VanDerWaalsContact CE-CB 3.49Å; L351-T358 WeakPolarHBondContact O-CA 3.19Å; R352-T358 HydrophobicContact CB-CG2 3.94Å; R352-T358 HydrophobicContact CG-CG2 3.73Å
359T95.6Very high95Very high11 Ų1159.1 Ų59.17%0.06732%0.315CS..EExtended strand (participates in β ladder)trans-134146.4170.5-172.60000109.8K350 L351 F382 L386K350-T359 CarbonylContact C-O 3.58Å; K350-T359 VanDerWaalsContact CA-O 3.31Å; K350-T359 WeakPolarHBondContact CA-O 3.4Å; L351-T359 HydrophobicContact CB-CG2 3.92Å; L351-T359 HydrophobicContact CD1-CG2 4.29Å; L351-T359 HydrophobicContact CG-CG2 4.35Å; L351-T359 PolarHBondContact N-O 2.77Å; L351-T359 PolarHBondContact O-N 3.19Å; T359-F382 HydrophobicContact CG2-CB 4.01Å; T359-F382 HydrophobicContact CG2-CD1 3.53Å; T359-F382 HydrophobicContact CG2-CE1 4.19Å; T359-F382 HydrophobicContact CG2-CG 3.92Å; T359-F382 WeakPolarHBondContact OG1-CB 3.49Å; T359-L386 HydrophobicContact CG2-CD1 3.84Å; T359-L386 HydrophobicContact CG2-CG 3.92Å
360E96.3Very high94.8Very high84 Ų8459.2 Ų59.239%0.39332%0.315SS..EExtended strand (participates in β ladder)trans-129.2144.4-173.4-179.1177.493.900110.8T348 I349 K350 K362T348-E360 HydrophobicContact CG2-CG 3.74Å; I349-E360 CarbonylContact O-C 3.53Å; I349-E360 WeakPolarHBondContact O-CA 3.04Å; K350-E360 HydrophobicContact CB-CB 4.31Å; K350-E360 HydrophobicContact CB-CG 4.35Å; K350-E360 HydrophobicContact CG-CB 4.44Å; E360-K362 WeakPolarHBondContact OE1-CE 3.49Å; E360-K362 IonicContact OE1-NZ 2.74Å
361S96.4Very high94.6Very high5 Ų560.3 Ų60.34%0.03532%0.321CS..EExtended strand (participates in β ladder)trans-129.7126.3169.8-162.80000110.7T348 I349 R381T348-S361 WeakPolarHBondContact CA-O 2.98Å; I349-S361 PolarHBondContact N-O 3.02Å; I349-S361 PolarHBondContact O-N 3.41Å; S361-R381 WeakPolarHBondContact CB-O 3.18Å; S361-R381 PolarHBondContact OG-N 3.5Å; S361-R381 PolarHBondContact OG-O 2.86Å
362K95.3Very high94.5Very high117 Ų11765.5 Ų65.551%0.50934%0.344SS..EExtended strand (participates in β ladder)trans-99.2116.5172.1-62.5-178.2-1731780108.8T348 E360 N364T348-K362 HydrophobicContact CG2-CG 3.9Å; E360-K362 WeakPolarHBondContact OE1-CE 3.49Å; E360-K362 IonicContact OE1-NZ 2.74Å; K362-N364 PolarHBondContact O-N 3.24Å
363I95.3Very high94.2Very high2 Ų267.2 Ų67.21%0.0135%0.351CS..EExtended strand (participates in β ladder)trans-102.479.8-179.8-44.7177.2000107.8D346 I347 L378 A380D346-I363 WeakPolarHBondContact CB-O 3.33Å; I347-I363 WeakPolarHBondContact O-CB 3.43Å; I347-I363 PolarHBondContact O-N 3.24Å; I363-L378 HydrophobicContact CD1-CB 3.7Å; I363-L378 HydrophobicContact CD1-CD1 4.39Å; I363-L378 HydrophobicContact CG2-CB 4.34Å; I363-A380 HydrophobicContact CD1-CB 3.98Å
364N91.8Very high94Very high90 Ų9070.3 Ų70.348%0.48136%0.364SS..EExtended strand (participates in β ladder)trans-135.620.6-169.269.7-20.8000113.8D346 K362 E366D346-N364 HydrophobicContact CB-CB 4.03Å; K362-N364 PolarHBondContact O-N 3.24Å; N364-E366 VanDerWaalsContact C-N 3.3Å
365H89.9Confident94Very high64 Ų6464.7 Ų64.730%0.29634%0.341SS..EExtended strand (participates in β ladder)trans-72.3-28.6173.259.4-80000112.2R277 N278R277-H365 PolarHBondContact O-CE1 2.94Å; R277-H365 PolarHBondContact O-NE2 3.38Å; N278-H365 PolarHBondContact OD1-NE2 3.49Å
366E91.9Very high93.9Very high74 Ų7461.5 Ų61.535%0.34631%0.313SS..EExtended strand (participates in β ladder)trans-150.6128.9176.3-172.2175.2177.200109.8N278 N364 T368N278-E366 PolarHBondContact ND2-OE2 2.04Å; N278-E366 VanDerWaalsContact ND2-OE2 3.15Å; N364-E366 VanDerWaalsContact C-N 3.3Å; E366-T368 PolarHBondContact O-N 2.58Å
367P92.3Very high93.9Very high56 Ų5661.9 Ų61.936%0.36431%0.308SS..EExtended strand (participates in β ladder)trans-63.4124.7-180-24.934.5000112.5R344 D346R344-P367 HydrophobicContact CG-CB 3.78Å; R344-P367 PolarHBondContact NE-O 2.85Å; D346-P367 WeakPolarHBondContact OD1-CA 3.27Å
368T93.5Very high93.9Very high22 Ų2258.8 Ų58.814%0.13529%0.292CS..EExtended strand (participates in β ladder)trans-80.4139.6-178.3-62.50000111.5R344 G345 E366 F370 V376 L378R344-T368 CarbonylContact C-O 3.59Å; R344-T368 VanDerWaalsContact CA-O 3.26Å; R344-T368 WeakPolarHBondContact CA-O 3.42Å; G345-T368 PolarHBondContact N-O 3.4Å; G345-T368 PolarHBondContact O-N 3Å; E366-T368 PolarHBondContact O-N 2.58Å; T368-F370 HydrophobicContact CG2-CD1 4.37Å; T368-F370 HydrophobicContact CG2-CD2 4.35Å; T368-F370 HydrophobicContact CG2-CE1 3.89Å; T368-F370 HydrophobicContact CG2-CE2 3.84Å; T368-F370 HydrophobicContact CG2-CZ 3.57Å; T368-F370 WeakPolarHBondContact O-CD2 3.43Å; T368-V376 HydrophobicContact CG2-CB 4.16Å; T368-V376 HydrophobicContact CG2-CG1 4.13Å; T368-V376 HydrophobicContact CG2-CG2 4.05Å; T368-L378 HydrophobicContact CG2-CD2 3.85Å; T368-L378 VanDerWaalsContact OG1-CD2 3.26Å; T368-L378 WeakPolarHBondContact OG1-CD2 3.38Å
369T94.8Very high93.9Very high63 Ų6356.1 Ų56.139%0.38728%0.276SS..EExtended strand (participates in β ladder)trans-92.9114.6174.7-60.20000111I342I342-T369 HydrophobicContact CG2-CG2 3.52Å
370F94.6Very high93.9Very high1 Ų155.6 Ų55.60%0.00427%0.272CS..EExtended strand (participates in β ladder)trans-101114.4175.3-57.1-84.3000110.6I335 T337 R343 I347 T368 V376 L378 F396 L408I335-F370 HydrophobicContact CD1-CE1 4.3Å; I335-F370 HydrophobicContact CG2-CD1 4.4Å; I335-F370 HydrophobicContact CG2-CE1 4.27Å; T337-F370 HydrophobicContact CG2-CB 3.99Å; T337-F370 HydrophobicContact CG2-CD1 3.68Å; T337-F370 HydrophobicContact CG2-CG 4.22Å; R343-F370 HydrophobicContact CB-CB 4.29Å; R343-F370 PolarHBondContact N-O 2.03Å; R343-F370 PolarHBondContact O-N 2.99Å; I347-F370 HydrophobicContact CD1-CZ 3.96Å; I347-F370 HydrophobicContact CG1-CE1 4.37Å; I347-F370 HydrophobicContact CG1-CE2 4.37Å; I347-F370 HydrophobicContact CG1-CZ 3.6Å; T368-F370 HydrophobicContact CG2-CD1 4.37Å; T368-F370 HydrophobicContact CG2-CD2 4.35Å; T368-F370 HydrophobicContact CG2-CE1 3.89Å; T368-F370 HydrophobicContact CG2-CE2 3.84Å; T368-F370 HydrophobicContact CG2-CZ 3.57Å; T368-F370 WeakPolarHBondContact O-CD2 3.43Å; F370-V376 HydrophobicContact CD1-CG2 3.81Å; F370-V376 HydrophobicContact CE1-CG2 3.54Å; F370-L378 HydrophobicContact CZ-CD1 4.34Å; F370-F396 HydrophobicContact CD2-CE2 4.1Å; F370-F396 HydrophobicContact CE2-CD2 4.27Å; F370-F396 AromaticContact CE2-CE2 3.98Å; F370-F396 HydrophobicContact CE2-CE2 3.98Å; F370-L408 HydrophobicContact CB-CD1 3.68Å; F370-L408 HydrophobicContact CD1-CD1 4.48Å; F370-L408 HydrophobicContact CD1-CD2 4.36Å; F370-L408 HydrophobicContact CD2-CD1 4.09Å; F370-L408 HydrophobicContact CD2-CD2 4.36Å; F370-L408 HydrophobicContact CE1-CD2 4.46Å; F370-L408 HydrophobicContact CE2-CD2 4.48Å; F370-L408 HydrophobicContact CG-CD1 3.84Å; F370-L408 HydrophobicContact CG-CD2 4.3Å
371Q93.3Very high93.7Very high76 Ų7652.5 Ų52.536%0.35526%0.257SS..  trans-124.5159.8179.667.3-174.8-2.500111.5T337 I342 Y373 H374T337-Q371 PolarHBondContact OG1-O 3.25Å; I342-Q371 HydrophobicContact CG1-CB 4.37Å; Q371-Y373 PolarHBondContact O-N 3.46Å; Q371-H374 HydrophobicContact CG-CB 3.31Å; Q371-H374 PolarHBondContact NE2-CD2 2.85Å; Q371-H374 VanDerWaalsContact NE2-CG 3.28Å; Q371-H374 PolarHBondContact O-N 2.82Å
372K93.8Very high93.6Very high110 Ų11052.3 Ų52.348%0.47826%0.255SS..BIsolated β-bridgetrans-58127.6-174.6-162.6-172.2-176.1-171.60111.5N339 H374N339-K372 WeakPolarHBondContact O-CB 3.22Å; K372-H374 PolarHBondContact O-N 3.31Å; K372-H374 VanDerWaalsContact O-N 3.1Å
373Y92.6Very high93.4Very high147 Ų14751.1 Ų51.158%0.57626%0.255SS*.THydrogen-bonded Turntrans60.110.9177.9-53.5-54.3000116.3T337 W338 Q371 L411T337-Y373 PolarHBondContact O-N 3.3Å; W338-Y373 AromaticContact CD1-CE1 3.44Å; W338-Y373 VanDerWaalsContact CD1-CE1 3.44Å; W338-Y373 AromaticContact CD1-CZ 3.53Å; W338-Y373 AromaticContact NE1-CZ 3.73Å; W338-Y373 PolarHBondContact NE1-OH 2.92Å; W338-Y373 VanDerWaalsContact NE1-OH 3.12Å; Q371-Y373 PolarHBondContact O-N 3.46Å; Y373-L411 HydrophobicContact CD1-CD1 3.91Å; Y373-L411 HydrophobicContact CE1-CD1 3.93Å
374H91.6Very high93.2Very high94 Ų9455.1 Ų55.144%0.43527%0.273SS..  trans-93.2137.7174.2-165.370.2000110.3Q371 K372Q371-H374 HydrophobicContact CG-CB 3.31Å; Q371-H374 PolarHBondContact NE2-CD2 2.85Å; Q371-H374 VanDerWaalsContact NE2-CG 3.28Å; Q371-H374 PolarHBondContact O-N 2.82Å; K372-H374 PolarHBondContact O-N 3.31Å; K372-H374 VanDerWaalsContact O-N 3.1Å
375Q93.6Very high93.1Very high78 Ų7852.3 Ų52.336%0.36426%0.259SS..EExtended strand (participates in β ladder)trans-87.4131.9170.5-171.4173.5-75.700109.1D334 I335 I336D334-Q375 HydrophobicContact CB-CG 4.26Å; I335-Q375 WeakPolarHBondContact O-CA 3.45Å; I336-Q375 HydrophobicContact CD1-CB 4.49Å; I336-Q375 HydrophobicContact CG1-CB 3.85Å; I336-Q375 HydrophobicContact CG1-CG 3.97Å
376V93.9Very high93.2Very high19 Ų1949.6 Ų49.612%0.11525%0.246CC..EExtended strand (participates in β ladder)trans-113.3139165.8-60.90000108.8D334 I335 T368 F370D334-V376 CarbonylContact C-O 3.57Å; D334-V376 VanDerWaalsContact CA-O 3.31Å; D334-V376 WeakPolarHBondContact CA-O 3.24Å; I335-V376 HydrophobicContact CB-CG2 3.97Å; I335-V376 PolarHBondContact N-O 2.98Å; I335-V376 PolarHBondContact O-N 2.73Å; T368-V376 HydrophobicContact CG2-CB 4.16Å; T368-V376 HydrophobicContact CG2-CG1 4.13Å; T368-V376 HydrophobicContact CG2-CG2 4.05Å; F370-V376 HydrophobicContact CD1-CG2 3.81Å; F370-V376 HydrophobicContact CE1-CG2 3.54Å
377S94.4Very high92.9Very high51 Ų5150.9 Ų50.936%0.35726%0.255SS..EExtended strand (participates in β ladder)trans-110.1119.2175.1-65.60000108.8D334D334-S377 VanDerWaalsContact OD1-CB 3.25Å; D334-S377 WeakPolarHBondContact OD1-CB 3.35Å; D334-S377 PolarHBondContact OD1-OG 2.8Å
378L95.4Very high92.8Very high13 Ų1355.6 Ų55.67%0.06827%0.27CS..EExtended strand (participates in β ladder)trans-111.9135.7-177.4-56.7177.3000110.6F332 V333 I335 I347 I363 T368 F370 A380F332-L378 CarbonylContact C-O 3.58Å; F332-L378 WeakPolarHBondContact CA-O 3.42Å; V333-L378 HydrophobicContact CB-CB 4.31Å; V333-L378 PolarHBondContact N-O 2.82Å; V333-L378 PolarHBondContact O-N 2.78Å; I335-L378 HydrophobicContact CD1-CD1 4.25Å; I347-L378 HydrophobicContact CB-CD1 4.05Å; I347-L378 HydrophobicContact CG1-CD1 3.85Å; I363-L378 HydrophobicContact CD1-CB 3.7Å; I363-L378 HydrophobicContact CD1-CD1 4.39Å; I363-L378 HydrophobicContact CG2-CB 4.34Å; T368-L378 HydrophobicContact CG2-CD2 3.85Å; T368-L378 VanDerWaalsContact OG1-CD2 3.26Å; T368-L378 WeakPolarHBondContact OG1-CD2 3.38Å; F370-L378 HydrophobicContact CZ-CD1 4.34Å; L378-A380 PolarHBondContact O-N 2.83Å
379L95.1Very high92.9Very high2 Ų255.8 Ų55.81%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-87.698178.3-17364.4000110.7Y276 H330 R381 L418Y276-L379 HydrophobicContact CE2-CD2 4.08Å; Y276-L379 WeakPolarHBondContact O-CD2 3.36Å; H330-L379 HydrophobicContact CB-CD1 4.26Å; L379-R381 HydrophobicContact CG-CG 4.32Å; L379-R381 PolarHBondContact O-NE 3.35Å; L379-L418 HydrophobicContact CD1-CD1 3.61Å
380A95.3Very high92.9Very high0 Ų054.2 Ų54.20%026%0.264CS..EExtended strand (participates in β ladder)trans-82.7144.2170.700000110.7H330 Y331 V333 I349 I363 L378 F382H330-A380 CarbonylContact C-O 3.6Å; H330-A380 WeakPolarHBondContact CA-O 3.26Å; Y331-A380 PolarHBondContact N-O 3.22Å; Y331-A380 PolarHBondContact O-N 3.31Å; V333-A380 HydrophobicContact CG2-CB 3.72Å; I349-A380 HydrophobicContact CG2-CB 3.83Å; I363-A380 HydrophobicContact CD1-CB 3.98Å; L378-A380 PolarHBondContact O-N 2.83Å; A380-F382 HydrophobicContact CB-CE2 3.78Å; A380-F382 HydrophobicContact CB-CZ 4.08Å
381R93.6Very high93.1Very high18 Ų1854.9 Ų54.97%0.06827%0.27CS..EExtended strand (participates in β ladder)trans-141.6123-171.3-69.2162.6-69.1136.714.2110R277 D319 M328 Y329 H330 S361 L379R277-R381 VanDerWaalsContact CD-NH1 3.27Å; R277-R381 VanDerWaalsContact NE-CZ 3.27Å; D319-R381 IonicContact OD1-NH1 3.73Å; D319-R381 WeakPolarHBondContact OD2-CD 3.32Å; D319-R381 IonicContact OD2-CZ 2.75Å; D319-R381 IonicContact OD2-NE 3.77Å; D319-R381 IonicContact OD2-NH1 3.63Å; D319-R381 PolarHBondContact OD2-NH1 2.82Å; M328-R381 HydrophobicContact CE-CB 3.74Å; Y329-R381 WeakPolarHBondContact O-CA 3.39Å; H330-R381 VanDerWaalsContact CD2-CG 3.5Å; H330-R381 WeakPolarHBondContact CD2-CG 3.23Å; S361-R381 WeakPolarHBondContact CB-O 3.18Å; S361-R381 PolarHBondContact OG-N 3.5Å; S361-R381 PolarHBondContact OG-O 2.86Å; L379-R381 HydrophobicContact CG-CG 4.32Å; L379-R381 PolarHBondContact O-NE 3.35Å
382F94Very high93.3Very high1 Ų151.4 Ų51.40%0.00425%0.254CS..EExtended strand (participates in β ladder)trans-124.8139.2-170.6-62.4-78.4000110.9Y329 Y331 I349 L351 T359 A380 Q384Y329-F382 PolarHBondContact N-O 3.39Å; Y329-F382 PolarHBondContact O-N 2.84Å; Y331-F382 AromaticContact CD2-CD2 3.64Å; Y331-F382 HydrophobicContact CD2-CD2 3.64Å; Y331-F382 AromaticContact CD2-CE2 3.82Å; Y331-F382 HydrophobicContact CD2-CE2 3.82Å; Y331-F382 HydrophobicContact CE2-CD2 4.16Å; Y331-F382 HydrophobicContact CG-CD2 4.41Å; Y331-F382 HydrophobicContact CG-CE2 4.14Å; I349-F382 HydrophobicContact CD1-CZ 4.45Å; I349-F382 HydrophobicContact CG1-CZ 4.28Å; I349-F382 HydrophobicContact CG2-CE1 4.13Å; I349-F382 HydrophobicContact CG2-CZ 3.66Å; L351-F382 HydrophobicContact CD1-CD1 4.47Å; L351-F382 HydrophobicContact CD1-CD2 4.18Å; L351-F382 HydrophobicContact CD1-CE1 4.03Å; L351-F382 HydrophobicContact CD1-CE2 3.72Å; L351-F382 HydrophobicContact CD1-CZ 3.62Å; L351-F382 HydrophobicContact CD2-CZ 4.28Å; L351-F382 HydrophobicContact CG-CE1 3.82Å; L351-F382 HydrophobicContact CG-CE2 4.28Å; L351-F382 HydrophobicContact CG-CZ 3.65Å; T359-F382 HydrophobicContact CG2-CB 4.01Å; T359-F382 HydrophobicContact CG2-CD1 3.53Å; T359-F382 HydrophobicContact CG2-CE1 4.19Å; T359-F382 HydrophobicContact CG2-CG 3.92Å; T359-F382 WeakPolarHBondContact OG1-CB 3.49Å; A380-F382 HydrophobicContact CB-CE2 3.78Å; A380-F382 HydrophobicContact CB-CZ 4.08Å; F382-Q384 PolarHBondContact O-N 2.94Å
383N91.6Very high93.4Very high92 Ų9246.5 Ų46.549%0.49223%0.234SC..SBendtrans-76.2-9.1179.3-58.38.3000113A321 M328A321-N383 HydrophobicContact CB-CB 4.31Å; M328-N383 HydrophobicContact SD-CB 4.3Å; M328-N383 PolarHBondContact SD-OD1 3.24Å
384Q90.4Very high93.7Very high86 Ų8639.5 Ų39.540%0.40221%0.206SC..SBendtrans-139.4138.7-179.2-176.3-179.414.200109F382 L386F382-Q384 PolarHBondContact O-N 2.94Å; Q384-L386 HydrophobicContact CG-CD2 4.23Å
385D90.1Very high93.9Very high32 Ų3237.8 Ų37.817%0.17120%0.199CC..  trans-88130.2170.6-165.831.8000110.6Y329 Y331 H420 R423Y329-D385 HydrophobicContact CD1-CB 3.54Å; Y329-D385 HydrophobicContact CD2-CB 3.75Å; Y329-D385 HydrophobicContact CE1-CB 3.55Å; Y329-D385 HydrophobicContact CE2-CB 3.77Å; Y329-D385 VanDerWaalsContact CE2-N 3.29Å; Y329-D385 HydrophobicContact CG-CB 3.62Å; Y331-D385 PolarHBondContact OH-OD1 3.04Å; D385-H420 IonicContact OD2-CD2 2.81Å; D385-H420 IonicContact OD2-NE2 3.94Å; D385-R423 IonicContact OD1-CZ 3.37Å; D385-R423 IonicContact OD1-NH1 3.41Å; D385-R423 PolarHBondContact OD1-NH1 2.87Å; D385-R423 IonicContact OD2-CZ 3.07Å; D385-R423 IonicContact OD2-NH1 3.79Å; D385-R423 PolarHBondContact OD2-NH1 3.28Å; D385-R423 IonicContact OD2-NH2 3.3Å; D385-R423 PolarHBondContact OD2-NH2 2.94Å
386L91.7Very high94Very high6 Ų634.1 Ų34.13%0.03118%0.182CC..  trans-109.7102.7172.8-60.7-173.9000108L351 D353 N357 T359 Q384 K388 V389L351-L386 HydrophobicContact CB-CD1 3.81Å; D353-L386 HydrophobicContact CB-CD1 4.47Å; D353-L386 HydrophobicContact CB-CD2 4.5Å; N357-L386 HydrophobicContact CB-CD2 4.21Å; T359-L386 HydrophobicContact CG2-CD1 3.84Å; T359-L386 HydrophobicContact CG2-CG 3.92Å; Q384-L386 HydrophobicContact CG-CD2 4.23Å; L386-K388 PolarHBondContact O-N 3.14Å; L386-V389 HydrophobicContact CB-CG2 4.39Å
387D85.9Confident94Very high102 Ų10234.4 Ų34.455%0.54519%0.185SC..SBendtrans-54.6-41.1-178.3-178.448.8000112.3R423D387-R423 IonicContact OD1-CZ 2.81Å; D387-R423 IonicContact OD1-NE 2.77Å; D387-R423 PolarHBondContact OD1-NE 2.88Å; D387-R423 IonicContact OD1-NH2 3.44Å; D387-R423 PolarHBondContact OD1-NH2 3.46Å
388K89.9Confident93.9Very high155 Ų15534 Ų3467%0.67418%0.18SC*.SBendtrans-125.994.3-179.4-65.8177.9-172.4171.70111.3D353 L386 A390D353-K388 WeakPolarHBondContact CB-O 3.37Å; L386-K388 PolarHBondContact O-N 3.14Å; K388-A390 PolarHBondContact O-N 2.87Å
389V94.7Very high93.3Very high25 Ų2536.1 Ų36.115%0.15221%0.206CC..  trans-69.6116.8173.6-177.90000110L351 L386 A391 V392 L426 P443L351-V389 HydrophobicContact CB-CG1 4.35Å; L351-V389 HydrophobicContact CB-CG2 4.41Å; L351-V389 HydrophobicContact CD1-CG2 4.11Å; L351-V389 HydrophobicContact CD2-CG1 4.16Å; L386-V389 HydrophobicContact CB-CG2 4.39Å; V389-A391 WeakPolarHBondContact CG1-O 2.87Å; V389-V392 HydrophobicContact CG1-CG2 3.65Å; V389-L426 HydrophobicContact CB-CD1 3.73Å; V389-L426 HydrophobicContact CG1-CD1 4.19Å; V389-L426 HydrophobicContact CG2-CD1 4.18Å; V389-P443 HydrophobicContact CG1-CG 4.38Å
390A95.9Very high92.4Very high30 Ų3038.8 Ų38.825%0.24822%0.224CC..  trans-95.3-31.217800000112.8R352 K354 K388R352-A390 WeakPolarHBondContact O-CA 3.31Å; R352-A390 PolarHBondContact O-N 3.36Å; K354-A390 HydrophobicContact CG-CB 3.7Å; K388-A390 PolarHBondContact O-N 2.87Å
391A97.3Very high91.3Very high16 Ų1646.7 Ų46.713%0.13227%0.265CS..EExtended strand (participates in β ladder)trans-142.7147.2174.700000111R352 V389 V440R352-A391 HydrophobicContact CB-CB 4.31Å; R352-A391 PolarHBondContact N-O 3.12Å; R352-A391 PolarHBondContact O-N 3.42Å; V389-A391 WeakPolarHBondContact CG1-O 2.87Å; A391-V440 HydrophobicContact CB-CG1 4.27Å
392V97.7Very high90.1Very high2 Ų253.1 Ų53.11%0.01230%0.299CS..EExtended strand (participates in β ladder)trans-120.2140.3173.51780000107.9I349 K350 L351 V389 L394 M413 V440 F441 P443I349-V392 HydrophobicContact CD1-CG1 4.06Å; I349-V392 HydrophobicContact CG1-CG1 4.08Å; K350-V392 CarbonylContact O-C 3.43Å; K350-V392 WeakPolarHBondContact O-CA 3.34Å; L351-V392 HydrophobicContact CD2-CG1 4.26Å; L351-V392 HydrophobicContact CD2-CG2 3.85Å; V389-V392 HydrophobicContact CG1-CG2 3.65Å; V392-L394 HydrophobicContact CG1-CG 4.44Å; V392-M413 HydrophobicContact CG1-CE 4.4Å; V392-V440 WeakPolarHBondContact O-CA 3.45Å; V392-F441 HydrophobicContact CB-CD2 4.28Å; V392-F441 HydrophobicContact CB-CE1 4.44Å; V392-F441 HydrophobicContact CB-CE2 3.67Å; V392-F441 HydrophobicContact CB-CZ 3.77Å; V392-F441 HydrophobicContact CG1-CE1 4.22Å; V392-F441 HydrophobicContact CG1-CE2 3.96Å; V392-F441 HydrophobicContact CG1-CZ 3.55Å; V392-F441 HydrophobicContact CG2-CE2 4.49Å; V392-F441 PolarHBondContact N-O 2.74Å; V392-F441 PolarHBondContact O-N 2.98Å; V392-F441 VanDerWaalsContact O-O 3.08Å; V392-P443 HydrophobicContact CG2-CB 4.21Å; V392-P443 HydrophobicContact CG2-CG 3.96Å
393S97.4Very high88.9Confident7 Ų755.9 Ų55.95%0.04933%0.328CS..EExtended strand (participates in β ladder)trans-121.6136175171.30000109.3I349 K350 E438 T439I349-S393 CarbonylContact C-O 3.55Å; I349-S393 VanDerWaalsContact CA-O 3.31Å; I349-S393 WeakPolarHBondContact CA-O 3.4Å; K350-S393 PolarHBondContact N-O 3.06Å; K350-S393 PolarHBondContact O-N 3.26Å; S393-E438 WeakPolarHBondContact CB-OE1 3.42Å; S393-E438 WeakPolarHBondContact OG-CG 3.02Å; S393-E438 PolarHBondContact OG-OE1 3.26Å; S393-T439 WeakPolarHBondContact CA-O 3.25Å
394L97.6Very high88.2Confident0 Ų056 Ų560%033%0.333CS..EExtended strand (participates in β ladder)trans-127136.9176-69177.3000110.3I347 T348 I349 V392 I410 M413 L431 L433 T439 F441I347-L394 HydrophobicContact CG2-CD2 3.99Å; T348-L394 WeakPolarHBondContact O-CA 3.33Å; I349-L394 HydrophobicContact CB-CD2 3.74Å; I349-L394 HydrophobicContact CD1-CD2 4.02Å; I349-L394 HydrophobicContact CG1-CD2 3.78Å; V392-L394 HydrophobicContact CG1-CG 4.44Å; L394-I410 HydrophobicContact CD1-CD1 4.48Å; L394-M413 HydrophobicContact CD1-CG 4.17Å; L394-L431 HydrophobicContact CD1-CD2 3.86Å; L394-L433 HydrophobicContact CB-CD1 4.01Å; L394-L433 HydrophobicContact CB-CD2 3.96Å; L394-T439 PolarHBondContact N-O 3.22Å; L394-T439 PolarHBondContact O-N 3.29Å; L394-F441 HydrophobicContact CB-CE1 4.32Å; L394-F441 HydrophobicContact CD1-CE1 3.84Å; L394-F441 HydrophobicContact CD1-CZ 3.84Å; L394-F441 HydrophobicContact CG-CE1 3.88Å; L394-F441 HydrophobicContact CG-CZ 4.08Å
395M96.8Very high87.9Confident59 Ų5959.7 Ų59.729%0.29134%0.344SS..EExtended strand (participates in β ladder)trans-129.6131.5171-178.3178.566.100109.3I347 T348I347-M395 WeakPolarHBondContact CA-O 2.9Å; T348-M395 HydrophobicContact CG2-CE 4.45Å; T348-M395 PolarHBondContact N-O 3.14Å; T348-M395 PolarHBondContact O-N 2.9Å
396F96Very high87.8Confident0 Ų062.3 Ų62.30%035%0.352CS..EExtended strand (participates in β ladder)trans-104.5136.2174.3168.5-110.2000109.9R343 D346 I347 F370 T398 L408 L433 E435 N436R343-F396 HydrophobicContact CB-CZ 4.12Å; D346-F396 WeakPolarHBondContact O-CA 3.42Å; I347-F396 HydrophobicContact CD1-CB 4.08Å; I347-F396 HydrophobicContact CD1-CD2 4.04Å; F370-F396 HydrophobicContact CD2-CE2 4.1Å; F370-F396 HydrophobicContact CE2-CD2 4.27Å; F370-F396 AromaticContact CE2-CE2 3.98Å; F370-F396 HydrophobicContact CE2-CE2 3.98Å; F396-T398 HydrophobicContact CE1-CG2 3.76Å; F396-T398 HydrophobicContact CZ-CG2 3.59Å; F396-L408 HydrophobicContact CB-CD2 4.26Å; F396-L408 HydrophobicContact CD1-CB 3.95Å; F396-L408 HydrophobicContact CD2-CD2 3.84Å; F396-L408 HydrophobicContact CE1-CB 4.31Å; F396-L408 HydrophobicContact CE2-CD2 4.33Å; F396-L408 HydrophobicContact CG-CB 4.12Å; F396-L408 HydrophobicContact CG-CD2 3.98Å; F396-L433 HydrophobicContact CB-CB 4.07Å; F396-L433 HydrophobicContact CB-CD1 3.92Å; F396-E435 HydrophobicContact CD1-CB 4.32Å; F396-E435 WeakPolarHBondContact O-CA 3.3Å; F396-N436 PolarHBondContact O-N 3.46Å
397S94.2Very high87.9Confident25 Ų2568.1 Ų68.118%0.17538%0.377CS..EExtended strand (participates in β ladder)trans-137.8135.9177.6-172.10000111.1G345 D346 G399 N436G345-S397 CarbonylContact C-O 3.42Å; G345-S397 WeakPolarHBondContact CA-O 3.48Å; D346-S397 PolarHBondContact N-O 3.39Å; D346-S397 PolarHBondContact O-N 2.79Å; S397-G399 VanDerWaalsContact C-N 3.34Å; S397-G399 PolarHBondContact OG-N 2.84Å; S397-N436 VanDerWaalsContact CB-OD1 3.26Å; S397-N436 WeakPolarHBondContact CB-OD1 3.21Å; S397-N436 PolarHBondContact OG-OD1 3.33Å
398T91.1Very high88.3Confident43 Ų4363.2 Ų63.226%0.26435%0.351SS..  trans-91.21.8170.470.80000113.1R344 F396 S400 Y406 E435R344-T398 WeakPolarHBondContact O-CG2 3.08Å; F396-T398 HydrophobicContact CE1-CG2 3.76Å; F396-T398 HydrophobicContact CZ-CG2 3.59Å; T398-S400 PolarHBondContact O-N 2.6Å; T398-S400 PolarHBondContact OG1-N 2.9Å; T398-Y406 HydrophobicContact CG2-CD2 3.95Å; T398-E435 VanDerWaalsContact CB-OE1 3.23Å; T398-E435 WeakPolarHBondContact CB-OE1 3.36Å; T398-E435 VanDerWaalsContact CG2-OE1 3.26Å; T398-E435 WeakPolarHBondContact CG2-OE1 3.44Å; T398-E435 PolarHBondContact N-OE1 2.98Å; T398-E435 VanDerWaalsContact N-OE1 3.11Å; T398-E435 PolarHBondContact OG1-OE1 2.91Å
399G82.8Confident88.6Confident58 Ų5860.4 Ų60.460%0.59834%0.336SS*.SBendtrans76.9-10.5-17100000114.3S397S397-G399 VanDerWaalsContact C-N 3.34Å; S397-G399 PolarHBondContact OG-N 2.84Å
400S76.6Confident88.7Confident57 Ų5759.2 Ų59.240%0.39933%0.329SS..  trans-82.1129.7174.5-163.50000111.7T398 I402T398-S400 PolarHBondContact O-N 2.6Å; T398-S400 PolarHBondContact OG1-N 2.9Å; S400-I402 PolarHBondContact OG-N 2.91Å; S400-I402 PolarHBondContact OG-O 2.92Å
401I71.8Confident88.7Confident166 Ų16659.9 Ų59.985%0.85133%0.328SS*.  trans-98.1-16.8173.8-49.8176000110.5
402I69.3Low88.6Confident154 Ų15463.1 Ų63.179%0.7934%0.336SS*.SBendtrans-115.3130.5-175.3-55.1174.7000108.9S400S400-I402 PolarHBondContact OG-N 2.91Å; S400-I402 PolarHBondContact OG-O 2.92Å
403G68.4Low88.6Confident59 Ų5963.2 Ų63.261%0.60834%0.337SS*.SBendtrans115.9-173.2176.500000114.8
404P76.1Confident88.5Confident94 Ų9464.9 Ų64.961%0.6134%0.343SS*.PPolyproline II helixtrans-70.8132.3-17728.8-33.3000111Y406P404-Y406 PolarHBondContact O-N 3.5Å
405R84Confident88.4Confident163 Ų16365.1 Ų65.162%0.61535%0.345SS*.PPolyproline II helixtrans-68.8130.9175.2-67.7-173.7-173.5-177.72.2111E435R405-E435 WeakPolarHBondContact CA-OE2 3.4Å; R405-E435 HydrophobicContact CB-CB 4.26Å
406Y89.8Confident88.3Confident88 Ų8865.9 Ų65.935%0.34534%0.344SS..PPolyproline II helixtrans-88.1149178.4-61.8-64.1000112.7R343 T398 P404 E435R343-Y406 VanDerWaalsContact NH1-CE1 3.28Å; T398-Y406 HydrophobicContact CG2-CD2 3.95Å; P404-Y406 PolarHBondContact O-N 3.5Å; Y406-E435 WeakPolarHBondContact CD2-OE2 3.28Å; Y406-E435 PolarHBondContact N-OE2 3.39Å; Y406-E435 VanDerWaalsContact O-CB 3.29Å; Y406-E435 WeakPolarHBondContact O-CB 3.42Å; Y406-E435 PolarHBondContact O-N 2.82Å
407K92.4Very high88Confident127 Ų12766.3 Ų66.355%0.55235%0.347SS*.EExtended strand (participates in β ladder)trans-96.6136.4168.7-57.3-166.5176.8177.90109.4R343 V432 L433 M434R343-K407 PolarHBondContact NE-O 3.04Å; K407-V432 HydrophobicContact CB-CG1 4.38Å; K407-V432 HydrophobicContact CD-CG1 4.38Å; K407-L433 WeakPolarHBondContact CA-O 3.26Å; K407-M434 HydrophobicContact CD-SD 3.83Å; K407-M434 VanDerWaalsContact CE-SD 3.51Å; K407-M434 HydrophobicContact CG-CE 4.08Å; K407-M434 HydrophobicContact CG-SD 3.58Å; K407-M434 VanDerWaalsContact CG-SD 3.58Å
408L95Very high87.7Confident0 Ų066.3 Ų66.30%035%0.345CS..EExtended strand (participates in β ladder)trans-115.5108.9168.1-171.977.9000108.8T337 N339 R343 I347 F370 F396 I410 L433T337-L408 HydrophobicContact CG2-CD1 4.36Å; N339-L408 WeakPolarHBondContact ND2-CD1 3.21Å; R343-L408 HydrophobicContact CB-CD1 3.82Å; R343-L408 HydrophobicContact CG-CD1 3.94Å; I347-L408 HydrophobicContact CD1-CD2 4.21Å; F370-L408 HydrophobicContact CB-CD1 3.68Å; F370-L408 HydrophobicContact CD1-CD1 4.48Å; F370-L408 HydrophobicContact CD1-CD2 4.36Å; F370-L408 HydrophobicContact CD2-CD1 4.09Å; F370-L408 HydrophobicContact CD2-CD2 4.36Å; F370-L408 HydrophobicContact CE1-CD2 4.46Å; F370-L408 HydrophobicContact CE2-CD2 4.48Å; F370-L408 HydrophobicContact CG-CD1 3.84Å; F370-L408 HydrophobicContact CG-CD2 4.3Å; F396-L408 HydrophobicContact CB-CD2 4.26Å; F396-L408 HydrophobicContact CD1-CB 3.95Å; F396-L408 HydrophobicContact CD2-CD2 3.84Å; F396-L408 HydrophobicContact CE1-CB 4.31Å; F396-L408 HydrophobicContact CE2-CD2 4.33Å; F396-L408 HydrophobicContact CG-CB 4.12Å; F396-L408 HydrophobicContact CG-CD2 3.98Å; L408-I410 HydrophobicContact CD2-CD1 4.27Å; L408-I410 HydrophobicContact CD2-CG1 4.25Å; L408-I410 HydrophobicContact CG-CG1 4.41Å; L408-L433 HydrophobicContact CB-CB 4.29Å; L408-L433 HydrophobicContact CD2-CD1 4.35Å; L408-L433 PolarHBondContact N-O 2.86Å; L408-L433 PolarHBondContact O-N 2.77Å
409R95.6Very high87.3Confident96 Ų9666.4 Ų66.436%0.36235%0.35SS..EExtended strand (participates in β ladder)trans-89119.7175-170-177.2-172.8171-0.7109.9T337 W338 N339 V432T337-R409 CarbonylContact C-O 3.47Å; T337-R409 VanDerWaalsContact CA-O 3.29Å; T337-R409 WeakPolarHBondContact CA-O 3.43Å; T337-R409 VanDerWaalsContact CB-O 3.3Å; T337-R409 WeakPolarHBondContact CB-O 3.45Å; W338-R409 VanDerWaalsContact CE3-CD 3.44Å; W338-R409 VanDerWaalsContact CE3-NH1 3.28Å; W338-R409 PolarHBondContact N-O 2.93Å; N339-R409 PolarHBondContact OD1-N 2.83Å; R409-V432 HydrophobicContact CG-CG2 4.22Å
410I96.3Very high87.5Confident0 Ų066.2 Ų66.20%033%0.333CS..EExtended strand (participates in β ladder)trans-104.5120.4177.4-62.9175.2000107.8I335 I336 T337 L394 L408 R412 M413 D430 L431 L433I335-I410 HydrophobicContact CD1-CD1 4.42Å; I335-I410 HydrophobicContact CG2-CB 4.4Å; I335-I410 HydrophobicContact CG2-CD1 3.94Å; I335-I410 HydrophobicContact CG2-CG1 3.79Å; I335-I410 HydrophobicContact CG2-CG2 3.91Å; I336-I410 CarbonylContact O-C 3.6Å; T337-I410 HydrophobicContact CG2-CG1 4.33Å; L394-I410 HydrophobicContact CD1-CD1 4.48Å; L408-I410 HydrophobicContact CD2-CD1 4.27Å; L408-I410 HydrophobicContact CD2-CG1 4.25Å; L408-I410 HydrophobicContact CG-CG1 4.41Å; I410-R412 VanDerWaalsContact CG2-C 3.5Å; I410-R412 WeakPolarHBondContact CG2-O 3.37Å; I410-M413 HydrophobicContact CG2-CB 4.14Å; I410-D430 WeakPolarHBondContact O-CA 3.43Å; I410-L431 HydrophobicContact CB-CB 4.22Å; I410-L431 HydrophobicContact CD1-CD2 4.44Å; I410-L431 PolarHBondContact N-O 2.74Å; I410-L431 PolarHBondContact O-N 3.21Å; I410-L433 HydrophobicContact CD1-CD1 3.65Å; I410-L433 HydrophobicContact CD1-CG 4.03Å
411L96.4Very high87.9Confident44 Ų4467.5 Ų67.523%0.2334%0.341CS..EExtended strand (participates in β ladder)trans-76.3-41.8174.2-64.6-179.9000111I336 W338 Y373 Y429 D430I336-L411 HydrophobicContact CG2-CB 4.36Å; I336-L411 HydrophobicContact CG2-CD1 4.19Å; I336-L411 PolarHBondContact O-N 2.74Å; W338-L411 HydrophobicContact CB-CD1 3.9Å; W338-L411 HydrophobicContact CB-CD2 3.66Å; W338-L411 HydrophobicContact CB-CG 3.68Å; W338-L411 HydrophobicContact CG-CD2 4.33Å; Y373-L411 HydrophobicContact CD1-CD1 3.91Å; Y373-L411 HydrophobicContact CE1-CD1 3.93Å; L411-Y429 VanDerWaalsContact O-CA 3.3Å; L411-Y429 WeakPolarHBondContact O-CA 3.26Å; L411-D430 PolarHBondContact O-N 2.86Å
412R96.4Very high88.6Confident83 Ų8366.2 Ų66.231%0.31333%0.331SS..EExtended strand (participates in β ladder)trans-146.6130.8-179.7-174.4179.274.1-177.33.6109.7I335 I336 I410 R428 Y429I335-R412 WeakPolarHBondContact CA-O 3.48Å; I336-R412 HydrophobicContact CB-CB 4.43Å; I336-R412 PolarHBondContact N-O 2.84Å; I336-R412 PolarHBondContact O-N 2.83Å; I410-R412 VanDerWaalsContact CG2-C 3.5Å; I410-R412 WeakPolarHBondContact CG2-O 3.37Å; R412-R428 CarbonylContact C-O 3.42Å; R412-R428 WeakPolarHBondContact CA-O 3.34Å; R412-Y429 HydrophobicContact CB-CD1 4.16Å; R412-Y429 HydrophobicContact CB-CE1 4.24Å; R412-Y429 HydrophobicContact CG-CD1 4.03Å; R412-Y429 HydrophobicContact CG-CE1 3.7Å
413M96.4Very high89.6Confident4 Ų461 Ų612%0.0230%0.301CS..EExtended strand (participates in β ladder)trans-114137.7161.6176.8-92.2-17300108.4V333 D334 I335 I349 V392 L394 I410 L415 C427 R428V333-M413 HydrophobicContact CG1-CE 3.73Å; V333-M413 HydrophobicContact CG1-CG 4.12Å; D334-M413 CarbonylContact O-C 3.58Å; D334-M413 VanDerWaalsContact O-CA 3.28Å; D334-M413 WeakPolarHBondContact O-CA 3.43Å; I335-M413 HydrophobicContact CG1-CG 4.3Å; I349-M413 HydrophobicContact CD1-CE 3.76Å; V392-M413 HydrophobicContact CG1-CE 4.4Å; L394-M413 HydrophobicContact CD1-CG 4.17Å; I410-M413 HydrophobicContact CG2-CB 4.14Å; M413-L415 HydrophobicContact CE-CB 3.7Å; M413-L415 HydrophobicContact CE-CD1 4.03Å; M413-L415 HydrophobicContact CE-CG 4.32Å; M413-L415 HydrophobicContact SD-CB 4.41Å; M413-C427 CarbonylContact O-C 3.59Å; M413-C427 VanDerWaalsContact O-CA 3.27Å; M413-C427 WeakPolarHBondContact O-CA 3.38Å; M413-R428 PolarHBondContact N-O 2.85Å; M413-R428 PolarHBondContact O-N 3.04Å
414K96.4Very high90.7Very high43 Ų4362.8 Ų62.819%0.18730%0.302CS..EExtended strand (participates in β ladder)trans-130.9130.2175.7172-178.1-178.1176.40108.9V333 D334 Q425 L426V333-K414 CarbonylContact C-O 3.6Å; V333-K414 WeakPolarHBondContact CA-O 3.29Å; D334-K414 HydrophobicContact CB-CB 4.19Å; D334-K414 PolarHBondContact N-O 3.34Å; D334-K414 PolarHBondContact O-N 2.76Å; K414-Q425 VanDerWaalsContact CE-CD 3.49Å; K414-L426 CarbonylContact C-O 3.5Å; K414-L426 WeakPolarHBondContact CA-O 3.3Å
415L95.8Very high91.5Very high5 Ų561.4 Ų61.43%0.02629%0.288CS..EExtended strand (participates in β ladder)trans-110.5126.1177.8-17167.7000109.2Y331 F332 V333 I349 L351 M413 L426Y331-L415 HydrophobicContact CD1-CD1 4.07Å; Y331-L415 HydrophobicContact CD1-CD2 4.32Å; Y331-L415 HydrophobicContact CD1-CG 3.89Å; Y331-L415 HydrophobicContact CG-CD1 4.3Å; F332-L415 CarbonylContact O-C 3.51Å; F332-L415 VanDerWaalsContact O-CA 3.31Å; F332-L415 WeakPolarHBondContact O-CA 3.26Å; V333-L415 HydrophobicContact CG2-CD1 3.68Å; I349-L415 HydrophobicContact CD1-CD1 3.83Å; L351-L415 HydrophobicContact CD1-CD2 4.44Å; L351-L415 HydrophobicContact CD2-CD2 3.76Å; M413-L415 HydrophobicContact CE-CB 3.7Å; M413-L415 HydrophobicContact CE-CD1 4.03Å; M413-L415 HydrophobicContact CE-CG 4.32Å; M413-L415 HydrophobicContact SD-CB 4.41Å; L415-L426 HydrophobicContact CB-CB 4.2Å; L415-L426 HydrophobicContact CD2-CD1 4.4Å; L415-L426 PolarHBondContact N-O 2.76Å; L415-L426 PolarHBondContact O-N 3.39Å; L415-L426 VanDerWaalsContact O-N 3.09Å
416R93.1Very high92.1Very high75 Ų7555.2 Ų55.228%0.28327%0.267SS..EExtended strand (participates in β ladder)trans-133.9118.8-174.2-148.8177.867.887-0.8110.1Y331 F332 Q425Y331-R416 CarbonylContact C-O 3.49Å; Y331-R416 VanDerWaalsContact CA-O 3.22Å; Y331-R416 WeakPolarHBondContact CA-O 3.49Å; F332-R416 HydrophobicContact CB-CB 4.32Å; F332-R416 PolarHBondContact N-O 3.08Å; F332-R416 PolarHBondContact O-N 3.15Å; R416-Q425 VanDerWaalsContact CD-NE2 3.34Å; R416-Q425 HydrophobicContact CG-CG 3.94Å
417S91.3Very high92.4Very high9 Ų951.1 Ų51.16%0.06325%0.251CS..EExtended strand (participates in β ladder)trans-69.2135.6176-173.40000110.5Y331 H420Y331-S417 VanDerWaalsContact CD1-CA 3.47Å; Y331-S417 VanDerWaalsContact CE1-CB 3.44Å; S417-H420 WeakPolarHBondContact CB-O 3.13Å; S417-H420 PolarHBondContact OG-N 2.93Å
418L86.4Confident92.6Very high25 Ų2549.5 Ų49.513%0.13124%0.241CC..SBendtrans-94-34.5169.6-73.1170.7000111.7V282 H330 F332 L379 H420V282-L418 HydrophobicContact CB-CD1 4.45Å; V282-L418 HydrophobicContact CB-CD2 4.48Å; V282-L418 HydrophobicContact CG1-CD1 4.02Å; H330-L418 HydrophobicContact CB-CB 4.02Å; H330-L418 HydrophobicContact CB-CD1 3.99Å; H330-L418 WeakPolarHBondContact O-CB 3.26Å; H330-L418 PolarHBondContact O-N 3.48Å; F332-L418 HydrophobicContact CD2-CD1 3.77Å; F332-L418 HydrophobicContact CD2-CD2 3.75Å; F332-L418 HydrophobicContact CD2-CG 3.88Å; F332-L418 HydrophobicContact CE2-CD1 3.68Å; F332-L418 HydrophobicContact CE2-CD2 3.74Å; F332-L418 HydrophobicContact CE2-CG 4.1Å; F332-L418 HydrophobicContact CZ-CD1 4.41Å; L379-L418 HydrophobicContact CD1-CD1 3.61Å; L418-H420 VanDerWaalsContact C-N 3.28Å; L418-H420 PolarHBondContact O-N 2.88Å
419A82.5Confident92.6Very high45 Ų4553.5 Ų53.537%0.37226%0.257SS..SBendtrans-69.3-28.7175.900000112.5Y329Y329-A419 HydrophobicContact CD1-CB 4.27Å
420H86.8Confident92.6Very high53 Ų5354 Ų5425%0.24527%0.267CS..  trans-134.271.2-177.6-64-67.1000111.1D385 S417 L418 E422 R423D385-H420 IonicContact OD2-CD2 2.81Å; D385-H420 IonicContact OD2-NE2 3.94Å; S417-H420 WeakPolarHBondContact CB-O 3.13Å; S417-H420 PolarHBondContact OG-N 2.93Å; L418-H420 VanDerWaalsContact C-N 3.28Å; L418-H420 PolarHBondContact O-N 2.88Å; H420-E422 VanDerWaalsContact CA-OE2 3.29Å; H420-E422 WeakPolarHBondContact CA-OE2 3.47Å; H420-E422 VanDerWaalsContact CB-OE1 3.31Å; H420-E422 WeakPolarHBondContact CB-OE1 3.39Å; H420-E422 IonicContact CG-OE1 3.79Å; H420-E422 IonicContact ND1-OE1 3.17Å; H420-E422 PolarHBondContact ND1-OE1 2.79Å; H420-E422 PolarHBondContact O-N 2.79Å; H420-E422 VanDerWaalsContact O-N 3.15Å; H420-R423 HydrophobicContact CB-CG 3.83Å; H420-R423 VanDerWaalsContact CD2-CZ 3.48Å; H420-R423 PolarHBondContact CD2-NH1 3.33Å; H420-R423 WeakPolarHBondContact O-CB 3.44Å; H420-R423 PolarHBondContact O-N 2.9Å
421P84.9Confident92.5Very high85 Ų8554.6 Ų54.655%0.55227%0.27SS*.THydrogen-bonded Turntrans-59.5-23.6-175.9-23.134.7000114.6R423P421-R423 VanDerWaalsContact C-N 3.25Å; P421-R423 PolarHBondContact O-N 3.49Å
422E87.8Confident92.5Very high138 Ų13855.9 Ų55.965%0.64528%0.28SS*.THydrogen-bonded Turntrans-68.9-19.6176.373.1-72.6173.100113.4H420H420-E422 VanDerWaalsContact CA-OE2 3.29Å; H420-E422 WeakPolarHBondContact CA-OE2 3.47Å; H420-E422 VanDerWaalsContact CB-OE1 3.31Å; H420-E422 WeakPolarHBondContact CB-OE1 3.39Å; H420-E422 IonicContact CG-OE1 3.79Å; H420-E422 IonicContact ND1-OE1 3.17Å; H420-E422 PolarHBondContact ND1-OE1 2.79Å; H420-E422 PolarHBondContact O-N 2.79Å; H420-E422 VanDerWaalsContact O-N 3.15Å
423R89.7Confident92.4Very high45 Ų4552 Ų5217%0.1727%0.265CS..SBendtrans-67.3140.6-179.5-76.5-175.5179.6150.89.1111.5Y331 D385 D387 H420 P421 Q425Y331-R423 PolarHBondContact OH-NH1 2.98Å; Y331-R423 VanDerWaalsContact OH-NH1 3.12Å; D385-R423 IonicContact OD1-CZ 3.37Å; D385-R423 IonicContact OD1-NH1 3.41Å; D385-R423 PolarHBondContact OD1-NH1 2.87Å; D385-R423 IonicContact OD2-CZ 3.07Å; D385-R423 IonicContact OD2-NH1 3.79Å; D385-R423 PolarHBondContact OD2-NH1 3.28Å; D385-R423 IonicContact OD2-NH2 3.3Å; D385-R423 PolarHBondContact OD2-NH2 2.94Å; D387-R423 IonicContact OD1-CZ 2.81Å; D387-R423 IonicContact OD1-NE 2.77Å; D387-R423 PolarHBondContact OD1-NE 2.88Å; D387-R423 IonicContact OD1-NH2 3.44Å; D387-R423 PolarHBondContact OD1-NH2 3.46Å; H420-R423 HydrophobicContact CB-CG 3.83Å; H420-R423 VanDerWaalsContact CD2-CZ 3.48Å; H420-R423 PolarHBondContact CD2-NH1 3.33Å; H420-R423 WeakPolarHBondContact O-CB 3.44Å; H420-R423 PolarHBondContact O-N 2.9Å; P421-R423 VanDerWaalsContact C-N 3.25Å; P421-R423 PolarHBondContact O-N 3.49Å; R423-Q425 PolarHBondContact O-N 3.08Å
424P91Very high92.3Very high96 Ų9654.9 Ų54.962%0.62328%0.279SS*.PPolyproline II helixtrans-56.1137.2172.9-23.933.3000111.8L445P424-L445 HydrophobicContact CB-CD2 3.59Å; P424-L445 HydrophobicContact CG-CD2 4.48Å
425Q94.3Very high92.2Very high65 Ų6553 Ų5330%0.30427%0.271SS..PPolyproline II helixtrans-77.1138.4-179.7-51.2179.1-15.500109.2K414 R416 R423 C446K414-Q425 VanDerWaalsContact CE-CD 3.49Å; R416-Q425 VanDerWaalsContact CD-NE2 3.34Å; R416-Q425 HydrophobicContact CG-CG 3.94Å; R423-Q425 PolarHBondContact O-N 3.08Å; Q425-C446 VanDerWaalsContact C-SG 3.52Å; Q425-C446 HydrophobicContact CB-CB 4.06Å; Q425-C446 PolarHBondContact O-N 3.5Å; Q425-C446 PolarHBondContact O-SG 2.85Å; Q425-C446 VanDerWaalsContact O-SG 3.39Å
426L95.8Very high92Very high33 Ų3355.9 Ų55.917%0.17329%0.287CS..EExtended strand (participates in β ladder)trans-103.3136.3-177.7-61.5177.5000110.1V389 K414 L415 P443 I444 L445 C446V389-L426 HydrophobicContact CB-CD1 3.73Å; V389-L426 HydrophobicContact CG1-CD1 4.19Å; V389-L426 HydrophobicContact CG2-CD1 4.18Å; K414-L426 CarbonylContact C-O 3.5Å; K414-L426 WeakPolarHBondContact CA-O 3.3Å; L415-L426 HydrophobicContact CB-CB 4.2Å; L415-L426 HydrophobicContact CD2-CD1 4.4Å; L415-L426 PolarHBondContact N-O 2.76Å; L415-L426 PolarHBondContact O-N 3.39Å; L415-L426 VanDerWaalsContact O-N 3.09Å; L426-P443 HydrophobicContact CB-CB 4.01Å; L426-P443 HydrophobicContact CD1-CB 4.41Å; L426-P443 HydrophobicContact CD1-CG 4.17Å; L426-P443 HydrophobicContact CD2-CB 4.46Å; L426-I444 CarbonylContact C-O 3.56Å; L426-I444 WeakPolarHBondContact CA-O 3.29Å; L426-L445 HydrophobicContact CD2-CD2 4.1Å; L426-C446 PolarHBondContact O-SG 2.52Å
427C96.6Very high92.1Very high3 Ų355 Ų552%0.0229%0.289CS..EExtended strand (participates in β ladder)trans-128.4153.1-176-84.10000111.9M413 Y429 I444 C446M413-C427 CarbonylContact O-C 3.59Å; M413-C427 VanDerWaalsContact O-CA 3.27Å; M413-C427 WeakPolarHBondContact O-CA 3.38Å; C427-Y429 HydrophobicContact CB-CE2 3.97Å; C427-I444 HydrophobicContact CB-CG1 4.47Å; C427-I444 PolarHBondContact N-O 2.91Å; C427-I444 VanDerWaalsContact O-CG1 3.31Å; C427-I444 WeakPolarHBondContact O-CG1 3.26Å; C427-I444 PolarHBondContact O-N 2.91Å; C427-C446 HydrophobicContact CB-CB 4Å; C427-C446 WeakPolarHBondContact CB-SG 3.41Å; C427-C446 PolarHBondContact N-SG 3.48Å; C427-C446 VanDerWaalsContact SG-CA 3.58Å; C427-C446 WeakPolarHBondContact SG-CB 3.23Å; C427-C446 CovalentContact SG-SG 2.03Å; C427-C446 PolarHBondContact SG-SG 3.11Å
428R96.3Very high92.3Very high92 Ų9259.2 Ų59.235%0.34731%0.308SS..EExtended strand (participates in β ladder)trans-141139.8164.2-177.865.8-166.7-172.31.4109.8R412 M413 F441R412-R428 CarbonylContact C-O 3.42Å; R412-R428 WeakPolarHBondContact CA-O 3.34Å; M413-R428 PolarHBondContact N-O 2.85Å; M413-R428 PolarHBondContact O-N 3.04Å; R428-F441 HydrophobicContact CB-CD2 3.82Å; R428-F441 HydrophobicContact CB-CE2 3.47Å; R428-F441 VanDerWaalsContact CB-CE2 3.47Å; R428-F441 HydrophobicContact CB-CZ 4.14Å; R428-F441 HydrophobicContact CG-CD2 3.59Å; R428-F441 HydrophobicContact CG-CE2 3.69Å; R428-F441 HydrophobicContact CG-CG 4.08Å; R428-F441 HydrophobicContact CG-CZ 4.26Å
429Y95.9Very high92.8Very high85 Ų8559.5 Ų59.533%0.33331%0.311SS..EExtended strand (participates in β ladder)trans-114.7153.8179-58.4-88.2000110.8L411 R412 C427 I444 P447L411-Y429 VanDerWaalsContact O-CA 3.3Å; L411-Y429 WeakPolarHBondContact O-CA 3.26Å; R412-Y429 HydrophobicContact CB-CD1 4.16Å; R412-Y429 HydrophobicContact CB-CE1 4.24Å; R412-Y429 HydrophobicContact CG-CD1 4.03Å; R412-Y429 HydrophobicContact CG-CE1 3.7Å; C427-Y429 HydrophobicContact CB-CE2 3.97Å; Y429-I444 HydrophobicContact CD2-CD1 4.12Å; Y429-I444 HydrophobicContact CE2-CD1 4Å; Y429-P447 WeakPolarHBondContact OH-CD 3.33Å
430D94.1Very high93.6Very high105 Ų10561.2 Ų61.256%0.56132%0.316SS*.EExtended strand (participates in β ladder)trans47.665.2173.2-67-53.5000114.1I410 L411I410-D430 WeakPolarHBondContact O-CA 3.43Å; L411-D430 PolarHBondContact O-N 2.86Å
431L94.9Very high94Very high13 Ų1359.5 Ų59.57%0.06831%0.308CS..EExtended strand (participates in β ladder)trans-104.9142.1176.5-168.572.8000110.4L394 I410 L433 T439 F441L394-L431 HydrophobicContact CD1-CD2 3.86Å; I410-L431 HydrophobicContact CB-CB 4.22Å; I410-L431 HydrophobicContact CD1-CD2 4.44Å; I410-L431 PolarHBondContact N-O 2.74Å; I410-L431 PolarHBondContact O-N 3.21Å; L431-L433 HydrophobicContact CD2-CD2 3.52Å; L431-L433 HydrophobicContact CD2-CG 4.2Å; L431-L433 HydrophobicContact CG-CD2 3.94Å; L431-T439 HydrophobicContact CD1-CG2 3.75Å; L431-T439 HydrophobicContact CG-CG2 4.48Å; L431-F441 HydrophobicContact CD1-CD1 3.98Å; L431-F441 HydrophobicContact CD1-CE1 4.4Å; L431-F441 HydrophobicContact CD2-CD1 4.08Å; L431-F441 HydrophobicContact CD2-CE1 3.65Å; L431-F441 HydrophobicContact CD2-CZ 4.35Å
432V95.3Very high94.6Very high72 Ų7262.5 Ų62.544%0.43632%0.315SS..EExtended strand (participates in β ladder)trans-118.4115.7169.5-1780000108K407 R409K407-V432 HydrophobicContact CB-CG1 4.38Å; K407-V432 HydrophobicContact CD-CG1 4.38Å; R409-V432 HydrophobicContact CG-CG2 4.22Å
433L95.8Very high94.9Very high0 Ų057 Ų570%029%0.291CS..EExtended strand (participates in β ladder)trans-90.9128171.6-55.8-176.1000109I347 L394 F396 K407 L408 I410 L431 T439I347-L433 HydrophobicContact CD1-CD1 4.31Å; L394-L433 HydrophobicContact CB-CD1 4.01Å; L394-L433 HydrophobicContact CB-CD2 3.96Å; F396-L433 HydrophobicContact CB-CB 4.07Å; F396-L433 HydrophobicContact CB-CD1 3.92Å; K407-L433 WeakPolarHBondContact CA-O 3.26Å; L408-L433 HydrophobicContact CB-CB 4.29Å; L408-L433 HydrophobicContact CD2-CD1 4.35Å; L408-L433 PolarHBondContact N-O 2.86Å; L408-L433 PolarHBondContact O-N 2.77Å; I410-L433 HydrophobicContact CD1-CD1 3.65Å; I410-L433 HydrophobicContact CD1-CG 4.03Å; L431-L433 HydrophobicContact CD2-CD2 3.52Å; L431-L433 HydrophobicContact CD2-CG 4.2Å; L431-L433 HydrophobicContact CG-CD2 3.94Å; L433-T439 HydrophobicContact CD2-CG2 4.3Å
434M94.4Very high95.2Very high66 Ų6659.1 Ų59.133%0.32531%0.305SS..EExtended strand (participates in β ladder)trans-88.2132.7164.9-65.5-59.1-60.400107.7K407 N436 V437K407-M434 HydrophobicContact CD-SD 3.83Å; K407-M434 VanDerWaalsContact CE-SD 3.51Å; K407-M434 HydrophobicContact CG-CE 4.08Å; K407-M434 HydrophobicContact CG-SD 3.58Å; K407-M434 VanDerWaalsContact CG-SD 3.58Å; M434-N436 PolarHBondContact O-N 3.28Å; M434-V437 HydrophobicContact CB-CB 3.92Å; M434-V437 HydrophobicContact CB-CG2 3.84Å; M434-V437 WeakPolarHBondContact O-CB 3.5Å; M434-V437 PolarHBondContact O-N 3.12Å; M434-V437 VanDerWaalsContact O-N 3.08Å
435E93.3Very high95.3Very high4 Ų460.1 Ų60.12%0.01930%0.304CS..THydrogen-bonded Turntrans-53.3134.2178.8173.3171-147.500112.6F396 T398 R405 Y406 V437F396-E435 HydrophobicContact CD1-CB 4.32Å; F396-E435 WeakPolarHBondContact O-CA 3.3Å; T398-E435 VanDerWaalsContact CB-OE1 3.23Å; T398-E435 WeakPolarHBondContact CB-OE1 3.36Å; T398-E435 VanDerWaalsContact CG2-OE1 3.26Å; T398-E435 WeakPolarHBondContact CG2-OE1 3.44Å; T398-E435 PolarHBondContact N-OE1 2.98Å; T398-E435 VanDerWaalsContact N-OE1 3.11Å; T398-E435 PolarHBondContact OG1-OE1 2.91Å; R405-E435 WeakPolarHBondContact CA-OE2 3.4Å; R405-E435 HydrophobicContact CB-CB 4.26Å; Y406-E435 WeakPolarHBondContact CD2-OE2 3.28Å; Y406-E435 PolarHBondContact N-OE2 3.39Å; Y406-E435 VanDerWaalsContact O-CB 3.29Å; Y406-E435 WeakPolarHBondContact O-CB 3.42Å; Y406-E435 PolarHBondContact O-N 2.82Å; E435-V437 PolarHBondContact O-N 3.1Å
436N92.3Very high95.2Very high65 Ų6558 Ų5835%0.34830%0.296SS..THydrogen-bonded Turntrans55.926.4-177.7-57.5-38.6000113.7F396 S397 M434F396-N436 PolarHBondContact O-N 3.46Å; S397-N436 VanDerWaalsContact CB-OD1 3.26Å; S397-N436 WeakPolarHBondContact CB-OD1 3.21Å; S397-N436 PolarHBondContact OG-OD1 3.33Å; M434-N436 PolarHBondContact O-N 3.28Å
437V94.4Very high94.7Very high55 Ų5560.7 Ų60.733%0.33332%0.316SS..  trans-119.8129.7172.5-1780000108.9M434 E435 T439M434-V437 HydrophobicContact CB-CB 3.92Å; M434-V437 HydrophobicContact CB-CG2 3.84Å; M434-V437 WeakPolarHBondContact O-CB 3.5Å; M434-V437 PolarHBondContact O-N 3.12Å; M434-V437 VanDerWaalsContact O-N 3.08Å; E435-V437 PolarHBondContact O-N 3.1Å; V437-T439 PolarHBondContact O-N 2.93Å
438E96.4Very high93.7Very high98 Ų9870 Ų7046%0.45836%0.356SS..  trans-74.1120.7174.7-169.1179.4-171.600110.2S393 V440S393-E438 WeakPolarHBondContact CB-OE1 3.42Å; S393-E438 WeakPolarHBondContact OG-CG 3.02Å; S393-E438 PolarHBondContact OG-OE1 3.26Å; E438-V440 HydrophobicContact CG-CG2 4.34Å
439T97.4Very high91.7Very high32 Ų3273.2 Ų73.220%0.19638%0.379CS..EExtended strand (participates in β ladder)trans-110.1112.1175.6-58.40000110.1S393 L394 L431 L433 V437S393-T439 WeakPolarHBondContact CA-O 3.25Å; L394-T439 PolarHBondContact N-O 3.22Å; L394-T439 PolarHBondContact O-N 3.29Å; L431-T439 HydrophobicContact CD1-CG2 3.75Å; L431-T439 HydrophobicContact CG-CG2 4.48Å; L433-T439 HydrophobicContact CD2-CG2 4.3Å; V437-T439 PolarHBondContact O-N 2.93Å
440V97.4Very high88.8Confident80 Ų8078.3 Ų78.349%0.48541%0.406SS..EExtended strand (participates in β ladder)trans-96.5137.9179.4-171.60000110.7A391 V392 E438A391-V440 HydrophobicContact CB-CG1 4.27Å; V392-V440 WeakPolarHBondContact O-CA 3.45Å; E438-V440 HydrophobicContact CG-CG2 4.34Å
441F96.8Very high86Confident17 Ų1785.3 Ų85.38%0.07544%0.439CS..EExtended strand (participates in β ladder)trans-149157.5176.355.6-89.3000111.7V392 L394 R428 L431V392-F441 HydrophobicContact CB-CD2 4.28Å; V392-F441 HydrophobicContact CB-CE1 4.44Å; V392-F441 HydrophobicContact CB-CE2 3.67Å; V392-F441 HydrophobicContact CB-CZ 3.77Å; V392-F441 HydrophobicContact CG1-CE1 4.22Å; V392-F441 HydrophobicContact CG1-CE2 3.96Å; V392-F441 HydrophobicContact CG1-CZ 3.55Å; V392-F441 HydrophobicContact CG2-CE2 4.49Å; V392-F441 PolarHBondContact N-O 2.74Å; V392-F441 PolarHBondContact O-N 2.98Å; V392-F441 VanDerWaalsContact O-O 3.08Å; L394-F441 HydrophobicContact CB-CE1 4.32Å; L394-F441 HydrophobicContact CD1-CE1 3.84Å; L394-F441 HydrophobicContact CD1-CZ 3.84Å; L394-F441 HydrophobicContact CG-CE1 3.88Å; L394-F441 HydrophobicContact CG-CZ 4.08Å; R428-F441 HydrophobicContact CB-CD2 3.82Å; R428-F441 HydrophobicContact CB-CE2 3.47Å; R428-F441 VanDerWaalsContact CB-CE2 3.47Å; R428-F441 HydrophobicContact CB-CZ 4.14Å; R428-F441 HydrophobicContact CG-CD2 3.59Å; R428-F441 HydrophobicContact CG-CE2 3.69Å; R428-F441 HydrophobicContact CG-CG 4.08Å; R428-F441 HydrophobicContact CG-CZ 4.26Å; L431-F441 HydrophobicContact CD1-CD1 3.98Å; L431-F441 HydrophobicContact CD1-CE1 4.4Å; L431-F441 HydrophobicContact CD2-CD1 4.08Å; L431-F441 HydrophobicContact CD2-CE1 3.65Å; L431-F441 HydrophobicContact CD2-CZ 4.35Å
442Q96.2Very high85.6Confident148 Ų14889 Ų8969%0.69246%0.457SS*.  trans-83.7124.3167.7-69.7-179.2-13.200109.1
443P94.6Very high85.1Confident23 Ų2389.8 Ų89.815%0.14946%0.458CS..  trans-72.7158.4173.632.2-35.2000110.9V389 V392 L426V389-P443 HydrophobicContact CG1-CG 4.38Å; V392-P443 HydrophobicContact CG2-CB 4.21Å; V392-P443 HydrophobicContact CG2-CG 3.96Å; L426-P443 HydrophobicContact CB-CB 4.01Å; L426-P443 HydrophobicContact CD1-CB 4.41Å; L426-P443 HydrophobicContact CD1-CG 4.17Å; L426-P443 HydrophobicContact CD2-CB 4.46Å
444I95.3Very high84.5Confident90 Ų9094.8 Ų94.846%0.46248%0.484SS..EExtended strand (participates in β ladder)trans-116.1164.5169.859.8169.6000110L426 C427 Y429 C446L426-I444 CarbonylContact C-O 3.56Å; L426-I444 WeakPolarHBondContact CA-O 3.29Å; C427-I444 HydrophobicContact CB-CG1 4.47Å; C427-I444 PolarHBondContact N-O 2.91Å; C427-I444 VanDerWaalsContact O-CG1 3.31Å; C427-I444 WeakPolarHBondContact O-CG1 3.26Å; C427-I444 PolarHBondContact O-N 2.91Å; Y429-I444 HydrophobicContact CD2-CD1 4.12Å; Y429-I444 HydrophobicContact CE2-CD1 4Å; I444-C446 PolarHBondContact O-N 3.49Å
445L94.8Very high83.9Confident116 Ų11696.5 Ų96.561%0.60749%0.493SS*.EExtended strand (participates in β ladder)trans-66.1133.4170-63.2-179.1000109.6P424 L426P424-L445 HydrophobicContact CB-CD2 3.59Å; P424-L445 HydrophobicContact CG-CD2 4.48Å; L426-L445 HydrophobicContact CD2-CD2 4.1Å
446C92Very high83.3Confident20 Ų20102.3 Ų102.314%0.13552%0.523CS..PPolyproline II helixtrans-61.8136.4171.8-63.20000109.6Q425 L426 C427 I444 K448Q425-C446 VanDerWaalsContact C-SG 3.52Å; Q425-C446 HydrophobicContact CB-CB 4.06Å; Q425-C446 PolarHBondContact O-N 3.5Å; Q425-C446 PolarHBondContact O-SG 2.85Å; Q425-C446 VanDerWaalsContact O-SG 3.39Å; L426-C446 PolarHBondContact O-SG 2.52Å; C427-C446 HydrophobicContact CB-CB 4Å; C427-C446 WeakPolarHBondContact CB-SG 3.41Å; C427-C446 PolarHBondContact N-SG 3.48Å; C427-C446 VanDerWaalsContact SG-CA 3.58Å; C427-C446 WeakPolarHBondContact SG-CB 3.23Å; C427-C446 CovalentContact SG-SG 2.03Å; C427-C446 PolarHBondContact SG-SG 3.11Å; I444-C446 PolarHBondContact O-N 3.49Å; C446-K448 PolarHBondContact O-N 3.28Å
447P85.4Confident82.7Confident90 Ų90104.8 Ų104.858%0.58453%0.534SS*.PPolyproline II helixtrans-55133.3171.9-20.530.5000109.6Y429 L449Y429-P447 WeakPolarHBondContact OH-CD 3.33Å; P447-L449 PolarHBondContact O-N 3.47Å
448K73.6Confident81.8Confident199 Ų199108.4 Ų108.487%0.86555%0.549SS*.PPolyproline II helixtrans-63.1122.4166.2-66.6-174.1179.8-175.90106.2C446 Q450C446-K448 PolarHBondContact O-N 3.28Å; K448-Q450 PolarHBondContact O-N 2.78Å
449L55.5Low80.7Confident159 Ų159109.2 Ų109.283%0.83256%0.556SS**  trans-56.8111.6165.4-89.8138.1000105.9P447 M451P447-L449 PolarHBondContact O-N 3.47Å; L449-M451 VanDerWaalsContact C-N 3.31Å; L449-M451 PolarHBondContact O-N 3.49Å
450Q35.7Very low79.3Confident193 Ų193115.6 Ų115.690%0.90259%0.586SS**  trans-63.6104.3158.6-80.4176.9-39.900104.5K448K448-Q450 PolarHBondContact O-N 2.78Å
451M34.6Very low77.7Confident252 Ų252118.8 Ų118.8100%1.24160%0.595SS**  trans-720165.7-71.5-173.985.300109L449L449-M451 VanDerWaalsContact C-N 3.31Å; L449-M451 PolarHBondContact O-N 3.49Å

Retrieved 451 of 451 residues in 348.2 ms (Link to these results)

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