A0A087Y2U9_POEFO Loading...

Serine hydrolase like

AlphaFold DB , UniProt , Accession A0A087Y2U9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 328 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
1M36.4Very low31.1Very low235 Ų235163.8 Ų163.8100%1.15886%0.859SS**  090.90-69179.5-151.100106.4
2I28.1Very low31.7Very low148 Ų148161 Ų16176%0.75985%0.854SS**  52104.863.6-54.9-179.4000112.4
3Q27.3Very low32Very low188 Ų188157.9 Ų157.988%0.87985%0.853SS**  trans55.5150.7149.8-68.8175.4-17.900117.9
4A31.2Very low32.1Very low82 Ų82151.1 Ų151.168%0.67884%0.838SS**  cis-149.1158.714.800000107.3
5L31.4Very low32.6Very low180 Ų180150.6 Ų150.694%0.94284%0.841SS**  -158.3106.9100.9-90.8151.4000109.2
6K33.9Very low33.1Very low210 Ų210153.2 Ų153.291%0.91385%0.848SS**  trans-87.1137158.9-81.1-179.8173.81800107.8
7G29Very low34.3Very low73 Ų73155.9 Ų155.975%0.75385%0.849SS**  trans155.283.5158.200000114.8
8V30.8Very low36Very low136 Ų136150.6 Ų150.682%0.82482%0.817SS**  trans-128.8112149.6-177.40000107.1
9R31.3Very low38.3Very low236 Ų236146.9 Ų146.989%0.89181%0.809SS**  trans-73.5123.8174.1-74.3178.4174.3-178.8-2.3108.3V11R9-V11 PolarHBondContact O-N 3.32Å
10H31.6Very low41Very low175 Ų175143 Ų14381%0.8179%0.79SS**  trans-74.6119.1164.9-77.1-19.1000109.3
11V31.3Very low43.6Very low139 Ų139140 Ų14084%0.84278%0.776SS**  trans-99.9103.8160.5-177.80000105.7R9R9-V11 PolarHBondContact O-N 3.32Å
12T38.8Very low46.5Very low130 Ų130133.1 Ų133.180%0.79874%0.74SS**  trans-83.1115.917242.20000109.6
13S35.5Very low49.9Very low121 Ų121126.8 Ų126.885%0.84671%0.708SS**  trans-172.4131.2148.8-178.60000109.9
14G33.5Very low53.2Low62 Ų62125.3 Ų125.364%0.63969%0.694SS**SBendtrans103.1119.9177.100000112.2M16G14-M16 PolarHBondContact O-N 3.5Å; G14-M16 VanDerWaalsContact O-N 3.11Å
15T39.1Very low56.4Low144 Ų144121.6 Ų121.688%0.88366%0.664SS**  trans-14.6105.7168.817.30000113.3K17T15-K17 PolarHBondContact O-N 3.31Å
16M40.3Very low59.6Low192 Ų192118.4 Ų118.495%0.94665%0.654SS**  trans-61.198.5179.6-78.6-158.8-80.400109.2G14 Q18G14-M16 PolarHBondContact O-N 3.5Å; G14-M16 VanDerWaalsContact O-N 3.11Å; M16-Q18 PolarHBondContact O-N 3.36Å; M16-Q18 VanDerWaalsContact O-N 3.16Å
17K54.5Low62.6Low200 Ų200109.1 Ų109.187%0.8761%0.614SS**PPolyproline II helixtrans-54.9120.7162-80-176.5175-1780106.3T15 A19T15-K17 PolarHBondContact O-N 3.31Å; K17-A19 PolarHBondContact O-N 2.92Å
18Q63.5Low65.8Low60 Ų60111.1 Ų111.128%0.2861%0.614SS.*PPolyproline II helixtrans-51.4123.9175.9-173172.33.200108.6M16 V20M16-Q18 PolarHBondContact O-N 3.36Å; M16-Q18 VanDerWaalsContact O-N 3.16Å; Q18-V20 PolarHBondContact O-N 3.35Å
19A80.1Confident68.9Low81 Ų81106.7 Ų106.767%0.66958%0.583SS**PPolyproline II helixtrans-63.7124.6-179.800000109.2K17K17-A19 PolarHBondContact O-N 2.92Å
20V92.2Very high72.1Confident68 Ų6897.1 Ų97.141%0.41256%0.558SS.*EExtended strand (participates in β ladder)trans-104.2126.8173.9-173.70000107.3Q18 K35 V36 W37Q18-V20 PolarHBondContact O-N 3.35Å; V20-K35 HydrophobicContact CG1-CB 3.98Å; V20-K35 HydrophobicContact CG1-CD 4.1Å; V20-K35 HydrophobicContact CG1-CG 4.19Å; V20-V36 WeakPolarHBondContact CA-O 3.29Å; V20-W37 HydrophobicContact CG1-CD2 4.08Å; V20-W37 HydrophobicContact CG1-CZ2 3.96Å; V20-W37 HydrophobicContact CG2-CG 4.24Å; V20-W37 VanDerWaalsContact CG2-NE1 3.28Å
21T95.9Very high75.3Confident81 Ų8191.3 Ų91.350%0.49753%0.531SS..EExtended strand (participates in β ladder)trans-114.9155.6-179.758.70000111.2K35 V36T21-K35 CarbonylContact O-C 3.58Å; T21-K35 VanDerWaalsContact O-CA 3.27Å; T21-K35 WeakPolarHBondContact O-CA 3.49Å; T21-V36 PolarHBondContact N-O 2.7Å; T21-V36 PolarHBondContact O-N 2.95Å
22E97.7Very high78.5Confident89 Ų8984.9 Ų84.942%0.41649%0.492SS..EExtended strand (participates in β ladder)trans-81.7134.4177.4-75-7513700111R33 G34 R207E22-R33 IonicContact OE2-NH2 3.71Å; E22-R33 PolarHBondContact OE2-NH2 2.68Å; E22-R33 VanDerWaalsContact OE2-NH2 3.12Å; E22-G34 WeakPolarHBondContact CA-O 3.42Å; E22-R207 IonicContact OE1-CZ 3.69Å; E22-R207 IonicContact OE1-NH1 3.95Å; E22-R207 PolarHBondContact OE1-NH1 3.2Å; E22-R207 IonicContact OE1-NH2 3.85Å; E22-R207 IonicContact OE2-CZ 2.99Å; E22-R207 IonicContact OE2-NH1 3.39Å; E22-R207 PolarHBondContact OE2-NH1 2.95Å; E22-R207 IonicContact OE2-NH2 3.42Å; E22-R207 PolarHBondContact OE2-NH2 3.36Å
23L98.3Very high81.3Confident16 Ų1680 Ų808%0.08446%0.459CS..EExtended strand (participates in β ladder)trans-88.9141168.8-176.776.7000110.1V25 R33 G34 V36 V72 V74 L107L23-V25 HydrophobicContact CD1-CG2 4.14Å; L23-V25 HydrophobicContact CD2-CG2 4.06Å; L23-V25 HydrophobicContact CG-CG2 4.06Å; L23-R33 WeakPolarHBondContact O-CA 3.25Å; L23-R33 PolarHBondContact O-NE 3.08Å; L23-G34 PolarHBondContact N-O 3.41Å; L23-G34 PolarHBondContact O-N 3.1Å; L23-V36 HydrophobicContact CB-CG2 4.07Å; L23-V36 HydrophobicContact CD1-CG2 4.28Å; L23-V72 HydrophobicContact CD1-CG1 4.29Å; L23-V72 HydrophobicContact CD2-CG1 3.58Å; L23-V72 HydrophobicContact CG-CG1 4.42Å; L23-V74 HydrophobicContact CD2-CG1 3.72Å; L23-L107 HydrophobicContact CD1-CD2 3.96Å
24R98.4Very high84.3Confident156 Ų15674.3 Ų74.359%0.58942%0.419SS*.EExtended strand (participates in β ladder)trans-136.8120.2167.2-63.2-176178.1-1239.8109.5E31 R33R24-E31 IonicContact NH1-OE1 3.29Å; R24-E31 IonicContact NH1-OE2 3.01Å; R24-E31 PolarHBondContact NH1-OE2 3.42Å; R24-R33 VanDerWaalsContact CZ-CZ 3.47Å; R24-R33 VanDerWaalsContact CZ-NH1 3.27Å
25V98.6Very high87.4Confident5 Ų572.4 Ų72.43%0.0339%0.393CS..EExtended strand (participates in β ladder)trans-121.8115.8174.5176.30000108.5L23 E31 I32 V103 A106L23-V25 HydrophobicContact CD1-CG2 4.14Å; L23-V25 HydrophobicContact CD2-CG2 4.06Å; L23-V25 HydrophobicContact CG-CG2 4.06Å; V25-E31 CarbonylContact O-C 3.56Å; V25-E31 WeakPolarHBondContact O-CA 3.43Å; V25-I32 HydrophobicContact CB-CB 4.3Å; V25-I32 PolarHBondContact N-O 2.95Å; V25-I32 PolarHBondContact O-N 2.77Å; V25-V103 HydrophobicContact CG1-CG2 4.48Å; V25-V103 HydrophobicContact CG2-CG2 4.49Å; V25-A106 HydrophobicContact CB-CB 4.5Å; V25-A106 HydrophobicContact CG1-CB 3.56Å; V25-A106 HydrophobicContact CG2-CB 4.2Å
26P98.1Very high90.3Very high113 Ų11366 Ų6673%0.73435%0.353SS*.EExtended strand (participates in β ladder)trans-66.1138.317628.1-33.3000110.5
27V97.1Very high93Very high15 Ų1557.3 Ų57.39%0.09131%0.31CS..EExtended strand (participates in β ladder)trans-135.9160.3175.4-66.70000109.3W29 G30 I32V27-W29 HydrophobicContact CB-CZ2 4.42Å; V27-W29 HydrophobicContact CG2-CD2 3.68Å; V27-W29 HydrophobicContact CG2-CE3 3.8Å; V27-W29 HydrophobicContact CG2-CG 4.32Å; V27-W29 HydrophobicContact CG2-CH2 3.82Å; V27-W29 HydrophobicContact CG2-CZ2 3.71Å; V27-W29 HydrophobicContact CG2-CZ3 3.84Å; V27-W29 PolarHBondContact O-N 3.36Å; V27-G30 PolarHBondContact N-O 3.5Å; V27-G30 CarbonylContact O-C 3.56Å; V27-G30 PolarHBondContact O-N 3.2Å; V27-I32 HydrophobicContact CG1-CG1 3.92Å; V27-I32 HydrophobicContact CG2-CG1 4.4Å
28P95.9Very high95Very high115 Ų11548.8 Ų48.875%0.74728%0.279SS*.THydrogen-bonded Turntrans-57.2-21.6-173.3-29.236.6000115.7
29W95.5Very high96.5Very high42 Ų4247.8 Ų47.816%0.15928%0.278CS..THydrogen-bonded Turntrans-10811.9-179.346.7-97.5000113.6V27 I32 A77 S83 P86V27-W29 HydrophobicContact CB-CZ2 4.42Å; V27-W29 HydrophobicContact CG2-CD2 3.68Å; V27-W29 HydrophobicContact CG2-CE3 3.8Å; V27-W29 HydrophobicContact CG2-CG 4.32Å; V27-W29 HydrophobicContact CG2-CH2 3.82Å; V27-W29 HydrophobicContact CG2-CZ2 3.71Å; V27-W29 HydrophobicContact CG2-CZ3 3.84Å; V27-W29 PolarHBondContact O-N 3.36Å; W29-I32 HydrophobicContact CH2-CD1 3.5Å; W29-I32 HydrophobicContact CH2-CG1 4Å; W29-I32 HydrophobicContact CZ2-CD1 4.05Å; W29-I32 HydrophobicContact CZ2-CG1 4.37Å; W29-A77 HydrophobicContact CH2-CB 3.3Å; W29-A77 HydrophobicContact CZ2-CB 3.6Å; W29-A77 HydrophobicContact CZ3-CB 4.1Å; W29-S83 WeakPolarHBondContact CZ3-O 3.44Å; W29-P86 HydrophobicContact CB-CG 3.74Å
30G97.9Very high97.1Very high36 Ų3649.7 Ų49.737%0.37128%0.277SS..EExtended strand (participates in β ladder)trans139.6-121.8177.500000112.4V27V27-G30 PolarHBondContact N-O 3.5Å; V27-G30 CarbonylContact O-C 3.56Å; V27-G30 PolarHBondContact O-N 3.2Å
31E98.4Very high97.1Very high53 Ų5354.5 Ų54.525%0.24829%0.294CS..EExtended strand (participates in β ladder)trans-136.3142.7178.653.3177.5-156.400112.1R24 V25 R33 S83R24-E31 IonicContact NH1-OE1 3.29Å; R24-E31 IonicContact NH1-OE2 3.01Å; R24-E31 PolarHBondContact NH1-OE2 3.42Å; V25-E31 CarbonylContact O-C 3.56Å; V25-E31 WeakPolarHBondContact O-CA 3.43Å; E31-R33 VanDerWaalsContact CD-CD 3.48Å; E31-R33 HydrophobicContact CG-CG 4.11Å; E31-R33 VanDerWaalsContact OE1-CD 3.31Å; E31-R33 WeakPolarHBondContact OE1-CD 3.39Å; E31-R33 IonicContact OE1-CZ 3.17Å; E31-R33 IonicContact OE1-NE 2.99Å; E31-R33 IonicContact OE1-NH1 3.32Å; E31-R33 PolarHBondContact OE1-NH1 2.95Å; E31-S83 PolarHBondContact N-OG 3.13Å; E31-S83 PolarHBondContact O-N 3.49Å
32I98.8Very high97.1Very high3 Ų351 Ų512%0.01527%0.274CS..EExtended strand (participates in β ladder)trans-87.6130.4158.4-68.6-74.5000107.9V25 V27 W29 V74 A77 S82 V103V25-I32 HydrophobicContact CB-CB 4.3Å; V25-I32 PolarHBondContact N-O 2.95Å; V25-I32 PolarHBondContact O-N 2.77Å; V27-I32 HydrophobicContact CG1-CG1 3.92Å; V27-I32 HydrophobicContact CG2-CG1 4.4Å; W29-I32 HydrophobicContact CH2-CD1 3.5Å; W29-I32 HydrophobicContact CH2-CG1 4Å; W29-I32 HydrophobicContact CZ2-CD1 4.05Å; W29-I32 HydrophobicContact CZ2-CG1 4.37Å; I32-V74 HydrophobicContact CG2-CB 4.06Å; I32-V74 HydrophobicContact CG2-CG1 4.16Å; I32-A77 HydrophobicContact CD1-CB 4.49Å; I32-S82 WeakPolarHBondContact CA-OG 3.49Å; I32-V103 HydrophobicContact CB-CG2 4.2Å; I32-V103 HydrophobicContact CG1-CG2 4.39Å; I32-V103 HydrophobicContact CG2-CG2 3.71Å
33R98.8Very high97Very high29 Ų2951 Ų5111%0.10927%0.271CS..EExtended strand (participates in β ladder)trans-111.2167.9-179.6-63.5-61.3-67-82.3-9.9110.9E22 L23 R24 E31 V74 D75 C81 S82E22-R33 IonicContact OE2-NH2 3.71Å; E22-R33 PolarHBondContact OE2-NH2 2.68Å; E22-R33 VanDerWaalsContact OE2-NH2 3.12Å; L23-R33 WeakPolarHBondContact O-CA 3.25Å; L23-R33 PolarHBondContact O-NE 3.08Å; R24-R33 VanDerWaalsContact CZ-CZ 3.47Å; R24-R33 VanDerWaalsContact CZ-NH1 3.27Å; E31-R33 VanDerWaalsContact CD-CD 3.48Å; E31-R33 HydrophobicContact CG-CG 4.11Å; E31-R33 VanDerWaalsContact OE1-CD 3.31Å; E31-R33 WeakPolarHBondContact OE1-CD 3.39Å; E31-R33 IonicContact OE1-CZ 3.17Å; E31-R33 IonicContact OE1-NE 2.99Å; E31-R33 IonicContact OE1-NH1 3.32Å; E31-R33 PolarHBondContact OE1-NH1 2.95Å; R33-V74 CarbonylContact O-C 3.55Å; R33-V74 WeakPolarHBondContact O-CA 3.45Å; R33-D75 HydrophobicContact CB-CB 4.48Å; R33-D75 WeakPolarHBondContact O-CB 3.4Å; R33-D75 PolarHBondContact O-N 2.96Å; R33-C81 HydrophobicContact CB-CB 3.86Å; R33-C81 HydrophobicContact CG-CB 4.03Å; R33-C81 WeakPolarHBondContact CG-O 3.4Å; R33-S82 PolarHBondContact N-OG 2.91Å
34G98.5Very high97Very high0 Ų051.8 Ų51.80%028%0.277CS..EExtended strand (participates in β ladder)trans173.1-165.4179.700000112.7E22 L23 A73E22-G34 WeakPolarHBondContact CA-O 3.42Å; L23-G34 PolarHBondContact N-O 3.41Å; L23-G34 PolarHBondContact O-N 3.1Å; G34-A73 CarbonylContact C-O 3.6Å; G34-A73 WeakPolarHBondContact CA-O 3.38Å
35K98.6Very high97.1Very high23 Ų2344.4 Ų44.410%0.125%0.249CC..EExtended strand (participates in β ladder)trans-133.6149.8178.6-73.6177.6177179.40110.5V20 T21 W37 N59 A73V20-K35 HydrophobicContact CG1-CB 3.98Å; V20-K35 HydrophobicContact CG1-CD 4.1Å; V20-K35 HydrophobicContact CG1-CG 4.19Å; T21-K35 CarbonylContact O-C 3.58Å; T21-K35 VanDerWaalsContact O-CA 3.27Å; T21-K35 WeakPolarHBondContact O-CA 3.49Å; K35-W37 HydrophobicContact CB-CE3 4.08Å; K35-W37 HydrophobicContact CB-CH2 3.25Å; K35-W37 HydrophobicContact CB-CZ2 4.02Å; K35-W37 HydrophobicContact CB-CZ3 3.27Å; K35-W37 HydrophobicContact CD-CH2 3.67Å; K35-W37 HydrophobicContact CD-CZ2 3.91Å; K35-W37 HydrophobicContact CG-CH2 4.11Å; K35-W37 WeakPolarHBondContact O-CZ3 3.27Å; K35-N59 PolarHBondContact NZ-OD1 3.4Å; K35-N59 VanDerWaalsContact NZ-OD1 3.15Å; K35-A73 PolarHBondContact N-O 3.09Å; K35-A73 PolarHBondContact O-N 3.31Å
36V98.4Very high97.1Very high9 Ų944.1 Ų44.16%0.05525%0.247CC..EExtended strand (participates in β ladder)trans-123.9131.1179.5-172.40000109.9V20 T21 L23 R70 Y71 V72V20-V36 WeakPolarHBondContact CA-O 3.29Å; T21-V36 PolarHBondContact N-O 2.7Å; T21-V36 PolarHBondContact O-N 2.95Å; L23-V36 HydrophobicContact CB-CG2 4.07Å; L23-V36 HydrophobicContact CD1-CG2 4.28Å; V36-R70 HydrophobicContact CG1-CG 4.17Å; V36-Y71 CarbonylContact C-O 3.51Å; V36-Y71 VanDerWaalsContact CA-O 3.29Å; V36-Y71 WeakPolarHBondContact CA-O 3.4Å; V36-V72 HydrophobicContact CG1-CG2 4.07Å; V36-V72 HydrophobicContact CG2-CG1 4.47Å; V36-V72 HydrophobicContact CG2-CG2 4.11Å
37W97.9Very high97.1Very high9 Ų938.8 Ų38.83%0.03421%0.212CC..EExtended strand (participates in β ladder)trans-121.1142.8173.6-64.1-109.4000110.1V20 K35 L62 R70 Y71 A73V20-W37 HydrophobicContact CG1-CD2 4.08Å; V20-W37 HydrophobicContact CG1-CZ2 3.96Å; V20-W37 HydrophobicContact CG2-CG 4.24Å; V20-W37 VanDerWaalsContact CG2-NE1 3.28Å; K35-W37 HydrophobicContact CB-CE3 4.08Å; K35-W37 HydrophobicContact CB-CH2 3.25Å; K35-W37 HydrophobicContact CB-CZ2 4.02Å; K35-W37 HydrophobicContact CB-CZ3 3.27Å; K35-W37 HydrophobicContact CD-CH2 3.67Å; K35-W37 HydrophobicContact CD-CZ2 3.91Å; K35-W37 HydrophobicContact CG-CH2 4.11Å; K35-W37 WeakPolarHBondContact O-CZ3 3.27Å; W37-L62 HydrophobicContact CD2-CB 4.41Å; W37-L62 HydrophobicContact CD2-CD1 3.73Å; W37-L62 HydrophobicContact CE3-CD1 3.43Å; W37-L62 VanDerWaalsContact CE3-CD1 3.43Å; W37-L62 HydrophobicContact CG-CB 4.41Å; W37-L62 HydrophobicContact CG-CD1 4.41Å; W37-L62 HydrophobicContact CH2-CD1 3.99Å; W37-L62 HydrophobicContact CZ2-CD1 4.28Å; W37-L62 HydrophobicContact CZ3-CD1 3.57Å; W37-R70 CarbonylContact O-C 3.58Å; W37-R70 WeakPolarHBondContact O-CA 3.29Å; W37-Y71 HydrophobicContact CB-CD2 4.3Å; W37-Y71 PolarHBondContact N-O 3.24Å; W37-Y71 PolarHBondContact O-N 3.34Å; W37-A73 HydrophobicContact CH2-CB 4.18Å; W37-A73 HydrophobicContact CZ3-CB 3.62Å
38G95.8Very high97.2Very high21 Ų2138 Ų3822%0.21621%0.208CC..SBendtrans95.2174.9173.700000113.4
39P94.9Very high97.3Very high39 Ų3932.6 Ų32.625%0.25317%0.173SC..  trans-72153.4-175.628.6-33.1000111.8H41 G42 K67 R70P39-H41 VanDerWaalsContact CB-CE1 3.46Å; P39-H41 WeakPolarHBondContact CB-CE1 2.89Å; P39-H41 PolarHBondContact O-N 3.47Å; P39-G42 PolarHBondContact O-N 3.1Å; P39-K67 WeakPolarHBondContact CD-O 3.17Å; P39-R70 WeakPolarHBondContact O-CB 3.45Å
40D93.4Very high97.4Very high121 Ų12130.6 Ų30.665%0.64717%0.165SC*.THydrogen-bonded Turntrans-61.6-29.3179.7-75.2-22.9000113.7G42 R70D40-G42 VanDerWaalsContact C-N 3.35Å; D40-R70 VanDerWaalsContact CA-NH1 3.25Å; D40-R70 PolarHBondContact O-NH1 3.13Å; D40-R70 IonicContact OD1-CZ 3.38Å; D40-R70 IonicContact OD1-NE 3.72Å; D40-R70 IonicContact OD1-NH1 3.2Å; D40-R70 PolarHBondContact OD1-NH1 3.35Å; D40-R70 IonicContact OD1-NH2 2.68Å; D40-R70 PolarHBondContact OD1-NH2 2.99Å
41H92.4Very high97.3Very high169 Ų16934.2 Ų34.278%0.78217%0.168SC*.THydrogen-bonded Turntrans-91.15.3176.561.2-91.3000113.2P39P39-H41 VanDerWaalsContact CB-CE1 3.46Å; P39-H41 WeakPolarHBondContact CB-CE1 2.89Å; P39-H41 PolarHBondContact O-N 3.47Å
42G95.7Very high97Very high8 Ų832.2 Ų32.28%0.08216%0.16CC..SBendtrans-68.4152.4176.600000111.3P39 D40 D68 R70P39-G42 PolarHBondContact O-N 3.1Å; D40-G42 VanDerWaalsContact C-N 3.35Å; G42-D68 CarbonylContact C-O 3.58Å; G42-D68 WeakPolarHBondContact CA-O 3.49Å; G42-R70 WeakPolarHBondContact O-CB 3.33Å
43R96.4Very high96.9Very high89 Ų8932.3 Ų32.334%0.33616%0.161SC..EExtended strand (participates in β ladder)trans-58.7128.3176.8-72.3-175.8-67.3-124.13.2110.8V45 D68 F69 R70R43-V45 PolarHBondContact O-N 3.22Å; R43-D68 IonicContact CZ-OD2 3.87Å; R43-D68 PolarHBondContact N-O 3.38Å; R43-D68 IonicContact NH1-OD2 2.72Å; R43-D68 IonicContact NH2-OD1 3.57Å; R43-D68 IonicContact NH2-OD2 2.83Å; R43-D68 PolarHBondContact NH2-OD2 2.85Å; R43-F69 HydrophobicContact CB-CD1 3.49Å; R43-F69 VanDerWaalsContact CB-CD1 3.49Å; R43-F69 HydrophobicContact CB-CE1 3.76Å; R43-F69 HydrophobicContact CB-CG 4.2Å; R43-F69 VanDerWaalsContact NE-CE1 3.28Å; R43-F69 CarbonylContact O-C 3.57Å; R43-F69 WeakPolarHBondContact O-CA 3.29Å; R43-R70 PolarHBondContact O-N 3.16Å
44P98.3Very high96.9Very high33 Ų3331.1 Ų31.121%0.21416%0.156CC..EExtended strand (participates in β ladder)trans-72.9130.5-169.227.4-34.1000112.5W109 K111 F112 S113P44-W109 HydrophobicContact CB-CD2 3.46Å; P44-W109 VanDerWaalsContact CB-CD2 3.46Å; P44-W109 HydrophobicContact CB-CE3 3.68Å; P44-W109 HydrophobicContact CB-CG 4.06Å; P44-W109 HydrophobicContact CB-CH2 3.66Å; P44-W109 HydrophobicContact CB-CZ2 3.48Å; P44-W109 VanDerWaalsContact CB-CZ2 3.48Å; P44-W109 HydrophobicContact CB-CZ3 3.78Å; P44-W109 HydrophobicContact CG-CD2 4.35Å; P44-K111 VanDerWaalsContact CG-O 3.25Å; P44-K111 WeakPolarHBondContact CG-O 3.31Å; P44-F112 HydrophobicContact CB-CB 3.83Å; P44-F112 HydrophobicContact CG-CB 3.73Å; P44-S113 PolarHBondContact O-N 3.06Å
45V98.8Very high96.9Very high0 Ų031.1 Ų31.10%016%0.156CC..EExtended strand (participates in β ladder)trans-131.7119.7174.3-172.50000109.2R43 F69 R70 Y71 V72 S113 I115R43-V45 PolarHBondContact O-N 3.22Å; V45-F69 HydrophobicContact CG2-CB 4.1Å; V45-F69 HydrophobicContact CG2-CD1 3.49Å; V45-F69 VanDerWaalsContact CG2-CD1 3.49Å; V45-F69 HydrophobicContact CG2-CE1 4.34Å; V45-F69 HydrophobicContact CG2-CG 4.16Å; V45-R70 PolarHBondContact N-O 3.2Å; V45-Y71 HydrophobicContact CB-CD1 3.6Å; V45-Y71 HydrophobicContact CB-CE1 4.05Å; V45-Y71 HydrophobicContact CB-CG 4.44Å; V45-Y71 HydrophobicContact CG1-CD1 3.81Å; V45-Y71 HydrophobicContact CG1-CE1 4.17Å; V45-Y71 HydrophobicContact CG2-CD1 3.93Å; V45-Y71 HydrophobicContact CG2-CE1 3.87Å; V45-Y71 CarbonylContact O-C 3.45Å; V45-Y71 WeakPolarHBondContact O-CA 3.47Å; V45-V72 PolarHBondContact O-N 3.05Å; V45-S113 CarbonylContact C-O 3.53Å; V45-S113 VanDerWaalsContact CA-O 3.29Å; V45-S113 WeakPolarHBondContact CA-O 3.49Å; V45-I115 HydrophobicContact CG1-CD1 3.75Å; V45-I115 HydrophobicContact CG1-CG1 3.73Å
46L98.9Very high96.9Very high0 Ų030 Ų300%015%0.152CC..EExtended strand (participates in β ladder)trans-91.5130.9173.5-170.770.6000110.2L48 V72 V74 V100 V103 V104 W109 F112 S113 I114 I115L46-L48 HydrophobicContact CD2-CD2 3.91Å; L46-L48 HydrophobicContact CG-CD2 3.97Å; L46-V72 CarbonylContact C-O 3.56Å; L46-V72 WeakPolarHBondContact CA-O 3.27Å; L46-V72 HydrophobicContact CD1-CB 4.43Å; L46-V72 HydrophobicContact CD1-CG1 4.3Å; L46-V74 HydrophobicContact CD1-CG1 4.09Å; L46-V100 HydrophobicContact CD2-CG1 3.55Å; L46-V103 HydrophobicContact CD1-CG1 4.05Å; L46-V104 HydrophobicContact CD2-CG2 4.13Å; L46-W109 HydrophobicContact CB-CZ3 4.23Å; L46-F112 HydrophobicContact CB-CD2 3.88Å; L46-F112 HydrophobicContact CB-CE2 3.83Å; L46-F112 HydrophobicContact CD2-CE2 4Å; L46-S113 PolarHBondContact N-O 2.89Å; L46-I114 CarbonylContact O-C 3.59Å; L46-I114 WeakPolarHBondContact O-CA 3.45Å; L46-I115 PolarHBondContact O-N 3.29Å
47C98.9Very high96.9Very high0 Ų029.6 Ų29.60%015%0.149CC..EExtended strand (participates in β ladder)trans-114.1125.5179.9-51.20000111.4F58 V72 A73 V74 I115C47-F58 HydrophobicContact CB-CD1 4.29Å; C47-F58 HydrophobicContact CB-CD2 3.78Å; C47-F58 HydrophobicContact CB-CE1 4.15Å; C47-F58 HydrophobicContact CB-CE2 3.61Å; C47-F58 HydrophobicContact CB-CG 4.11Å; C47-F58 HydrophobicContact CB-CZ 3.81Å; C47-V72 PolarHBondContact N-O 3.46Å; C47-A73 HydrophobicContact CB-CB 3.75Å; C47-A73 WeakPolarHBondContact O-CA 3.36Å; C47-V74 PolarHBondContact O-N 3.26Å; C47-I115 CarbonylContact C-O 3.43Å; C47-I115 VanDerWaalsContact CA-O 3.25Å; C47-I115 WeakPolarHBondContact CA-O 3.47Å
48L98.9Very high96.9Very high0 Ų029.1 Ų29.10%015%0.147CC..EExtended strand (participates in β ladder)trans-119121.4-174.7-53.6-175.9000111.1L46 F58 V74 L76 V100 I114 I115 H117 I123 A124L46-L48 HydrophobicContact CD2-CD2 3.91Å; L46-L48 HydrophobicContact CG-CD2 3.97Å; L48-F58 WeakPolarHBondContact O-CZ 3.29Å; L48-V74 HydrophobicContact CD2-CG2 3.57Å; L48-L76 HydrophobicContact CD2-CD2 4.41Å; L48-V100 HydrophobicContact CD1-CG2 3.97Å; L48-V100 HydrophobicContact CD2-CG2 3.96Å; L48-I114 HydrophobicContact CD1-CG2 4.17Å; L48-I114 HydrophobicContact CG-CG2 4.3Å; L48-I115 PolarHBondContact N-O 3.29Å; L48-H117 PolarHBondContact O-N 3.11Å; L48-I123 HydrophobicContact CD1-CB 4.16Å; L48-I123 HydrophobicContact CD1-CG2 3.86Å; L48-A124 HydrophobicContact CD1-CB 4.14Å
49H98.8Very high97Very high0 Ų029.8 Ų29.80%015%0.146CC..PPolyproline II helixtrans-82.9168-173.967.271.4000114.2D53 N54 T57 F58 V74 L76 H79 H117 G120H49-D53 HydrophobicContact CB-CB 4.21Å; H49-N54 WeakPolarHBondContact CB-O 3.44Å; H49-N54 VanDerWaalsContact CD2-CA 3.47Å; H49-N54 WeakPolarHBondContact CD2-CA 3.46Å; H49-T57 HydrophobicContact CB-CG2 3.58Å; H49-F58 HydrophobicContact CB-CE2 4.18Å; H49-V74 PolarHBondContact CD2-O 2.94Å; H49-L76 PolarHBondContact NE2-N 3.39Å; H49-H79 AromaticContact CE1-CD2 3.54Å; H49-H79 AromaticContact CE1-CG 3.55Å; H49-H117 CarbonylContact C-O 3.59Å; H49-G120 VanDerWaalsContact O-CA 3.27Å; H49-G120 WeakPolarHBondContact O-CA 3.49Å; H49-G120 PolarHBondContact O-N 3.16Å
50G97.5Very high97.2Very high0 Ų029.5 Ų29.50%014%0.144CC..PPolyproline II helixtrans-71.5172.4175.400000114.5D53 H117G50-D53 WeakPolarHBondContact CA-OD2 3.38Å; G50-D53 PolarHBondContact N-OD2 2.99Å; G50-D53 PolarHBondContact O-N 3.29Å; G50-H117 PolarHBondContact N-ND1 2.93Å
51W95.4Very high97.4Very high113 Ų11323.8 Ų23.843%0.42811%0.113SC..THydrogen-bonded Turntrans-67.4136.5179.7171.572.9000111D53 M119 I224 N225W51-D53 PolarHBondContact O-N 3.19Å; W51-D53 VanDerWaalsContact O-N 3.16Å; W51-M119 HydrophobicContact CB-CB 3.96Å; W51-M119 HydrophobicContact CB-CE 4.46Å; W51-M119 HydrophobicContact CB-CG 4.42Å; W51-M119 HydrophobicContact CB-SD 3.82Å; W51-M119 HydrophobicContact CG-SD 4.35Å; W51-I224 PolarHBondContact NE1-O 2.69Å; W51-N225 HydrophobicContact CZ2-CB 3.93Å; W51-N225 WeakPolarHBondContact CZ2-OD1 3.42Å
52A91.2Very high97.7Very high11 Ų1115.7 Ų15.79%0.0918%0.075CC..THydrogen-bonded Turntrans64.65.2-177.600000116.4H79 I224A52-H79 PolarHBondContact N-NE2 3.48Å; A52-H79 VanDerWaalsContact N-NE2 3.2Å; A52-I224 HydrophobicContact CB-CD1 4.5Å
53D97.2Very high97.8Very high5 Ų518.1 Ų18.13%0.0279%0.089CC..  trans-85.5-155.8169.3-61.6-27.3000111.6H49 G50 W51 H79 H117 L204 H292H49-D53 HydrophobicContact CB-CB 4.21Å; G50-D53 WeakPolarHBondContact CA-OD2 3.38Å; G50-D53 PolarHBondContact N-OD2 2.99Å; G50-D53 PolarHBondContact O-N 3.29Å; W51-D53 PolarHBondContact O-N 3.19Å; W51-D53 VanDerWaalsContact O-N 3.16Å; D53-H79 PolarHBondContact O-CD2 2.96Å; D53-H117 IonicContact OD2-CE1 2.88Å; D53-H117 IonicContact OD2-ND1 2.71Å; D53-L204 HydrophobicContact CB-CD2 4.22Å; D53-L204 WeakPolarHBondContact OD1-CD1 3.44Å; D53-H292 IonicContact OD1-NE2 3.72Å; D53-H292 IonicContact OD2-NE2 3.57Å; D53-H292 PolarHBondContact OD2-NE2 3.34Å
54N98.6Very high97.8Very high3 Ų318 Ų182%0.01610%0.095CC..  trans-161179169.757.174.3000109.2H49 G56 T57 D75 L204 R207H49-N54 WeakPolarHBondContact CB-O 3.44Å; H49-N54 VanDerWaalsContact CD2-CA 3.47Å; H49-N54 WeakPolarHBondContact CD2-CA 3.46Å; N54-G56 PolarHBondContact O-N 2.8Å; N54-G56 WeakPolarHBondContact OD1-CA 3.15Å; N54-G56 PolarHBondContact OD1-N 2.93Å; N54-T57 WeakPolarHBondContact O-CG2 3.39Å; N54-T57 PolarHBondContact O-N 2.89Å; N54-D75 WeakPolarHBondContact CB-OD1 3.38Å; N54-L204 PolarHBondContact ND2-O 2.88Å; N54-R207 HydrophobicContact CB-CB 4.34Å
55C98.4Very high97.8Very high0 Ų016.6 Ų16.60%09%0.086CC..G310 helixtrans-61.9-15.1-177.584.80000113.7T57 F58 A73 D75C55-T57 PolarHBondContact O-N 2.95Å; C55-F58 PolarHBondContact O-N 2.83Å; C55-A73 HydrophobicContact CB-CB 3.78Å; C55-A73 WeakPolarHBondContact CB-O 3.45Å; C55-D75 VanDerWaalsContact CB-OD1 3.32Å; C55-D75 WeakPolarHBondContact CB-OD1 3.13Å; C55-D75 PolarHBondContact N-OD1 2.9Å; C55-D75 PolarHBondContact SG-OD1 3.28Å; C55-D75 VanDerWaalsContact SG-OD1 3.39Å
56G98.1Very high97.8Very high0 Ų017.4 Ų17.40%09%0.091CC..G310 helixtrans-61.3-19.6172.400000113.7N54 F58 N59 I203N54-G56 PolarHBondContact O-N 2.8Å; N54-G56 WeakPolarHBondContact OD1-CA 3.15Å; N54-G56 PolarHBondContact OD1-N 2.93Å; G56-F58 PolarHBondContact O-N 3.01Å; G56-N59 WeakPolarHBondContact O-CB 3.34Å; G56-N59 VanDerWaalsContact O-CG 3.23Å; G56-N59 PolarHBondContact O-N 2.61Å; G56-I203 WeakPolarHBondContact O-CG2 3.49Å
57T98.6Very high97.6Very high0 Ų022.1 Ų22.10%011%0.111CC..G310 helixtrans-58.4-18.8175.3-167.10000113.7H49 N54 C55 H294H49-T57 HydrophobicContact CB-CG2 3.58Å; N54-T57 WeakPolarHBondContact O-CG2 3.39Å; N54-T57 PolarHBondContact O-N 2.89Å; C55-T57 PolarHBondContact O-N 2.95Å; T57-H294 PolarHBondContact OG1-NE2 2.92Å
58F98.8Very high97.4Very high0 Ų025.6 Ų25.60%013%0.13CC..G310 helixtrans-97.40.1-179.6-65.4-68.2000113.2C47 L48 H49 C55 G56 T60 L61 L62 A73 I115 L141C47-F58 HydrophobicContact CB-CD1 4.29Å; C47-F58 HydrophobicContact CB-CD2 3.78Å; C47-F58 HydrophobicContact CB-CE1 4.15Å; C47-F58 HydrophobicContact CB-CE2 3.61Å; C47-F58 HydrophobicContact CB-CG 4.11Å; C47-F58 HydrophobicContact CB-CZ 3.81Å; L48-F58 WeakPolarHBondContact O-CZ 3.29Å; H49-F58 HydrophobicContact CB-CE2 4.18Å; C55-F58 PolarHBondContact O-N 2.83Å; G56-F58 PolarHBondContact O-N 3.01Å; F58-T60 PolarHBondContact O-N 3.5Å; F58-T60 VanDerWaalsContact O-N 3.17Å; F58-L61 PolarHBondContact O-N 2.92Å; F58-L62 HydrophobicContact CB-CD1 3.69Å; F58-L62 HydrophobicContact CB-CG 3.83Å; F58-L62 WeakPolarHBondContact O-CG 3.26Å; F58-L62 PolarHBondContact O-N 2.84Å; F58-L62 VanDerWaalsContact O-N 3.08Å; F58-A73 HydrophobicContact CD2-CB 3.82Å; F58-A73 HydrophobicContact CG-CB 4.49Å; F58-I115 HydrophobicContact CE1-CG2 4.15Å; F58-L141 HydrophobicContact CE1-CD1 4.32Å
59N97.9Very high97.3Very high34 Ų3425.7 Ų25.718%0.18213%0.131CC..THydrogen-bonded Turntrans-60.5-25.8-177.1-79-1.7000113.1K35 G56 P63 I203K35-N59 PolarHBondContact NZ-OD1 3.4Å; K35-N59 VanDerWaalsContact NZ-OD1 3.15Å; G56-N59 WeakPolarHBondContact O-CB 3.34Å; G56-N59 VanDerWaalsContact O-CG 3.23Å; G56-N59 PolarHBondContact O-N 2.61Å; N59-P63 VanDerWaalsContact O-CD 3.27Å; N59-P63 WeakPolarHBondContact O-CD 3.27Å; N59-P63 WeakPolarHBondContact O-CG 3.42Å; N59-I203 HydrophobicContact CB-CG2 3.95Å
60T98.1Very high97.3Very high34 Ų3428.4 Ų28.421%0.20914%0.141CC..THydrogen-bonded Turntrans-97.6-31.6-178.762.80000112.5F58 I203 H294 L295F58-T60 PolarHBondContact O-N 3.5Å; F58-T60 VanDerWaalsContact O-N 3.17Å; T60-I203 HydrophobicContact CG2-CD1 3.6Å; T60-H294 PolarHBondContact OG1-O 3.1Å; T60-L295 HydrophobicContact CG2-CD1 3.86Å; T60-L295 VanDerWaalsContact OG1-CA 3.29Å; T60-L295 WeakPolarHBondContact OG1-CA 3.36Å; T60-L295 PolarHBondContact OG1-O 2.92Å
61L98.7Very high97.3Very high0 Ų028.4 Ų28.40%014%0.141CC..THydrogen-bonded Turntrans-76.4-55177.8179.757.8000113.6F58 P63 L64 L65 L141 H294 P298 V301 A302F58-L61 PolarHBondContact O-N 2.92Å; L61-P63 VanDerWaalsContact C-CD 3.41Å; L61-P63 VanDerWaalsContact C-N 3.32Å; L61-L64 WeakPolarHBondContact O-CB 3.47Å; L61-L64 PolarHBondContact O-N 3.12Å; L61-L65 HydrophobicContact CD1-CD2 3.91Å; L61-L65 HydrophobicContact CD1-CG 4.29Å; L61-L65 HydrophobicContact CG-CD1 4.22Å; L61-L65 HydrophobicContact CG-CD2 4.35Å; L61-L65 HydrophobicContact CG-CG 4.25Å; L61-L141 HydrophobicContact CD2-CD1 3.87Å; L61-H294 HydrophobicContact CD2-CB 4.07Å; L61-P298 HydrophobicContact CB-CB 4.28Å; L61-P298 HydrophobicContact CD1-CB 4.29Å; L61-V301 HydrophobicContact CD1-CG2 3.72Å; L61-V301 HydrophobicContact CD2-CG2 4.34Å; L61-A302 HydrophobicContact CD1-CB 3.82Å
62L98.3Very high97.5Very high0 Ų023 Ų230%012%0.12CC..G310 helixtrans-59.7-33.2-170.8-59.9178.9000114.2W37 F58 L64 L65 Y71W37-L62 HydrophobicContact CD2-CB 4.41Å; W37-L62 HydrophobicContact CD2-CD1 3.73Å; W37-L62 HydrophobicContact CE3-CD1 3.43Å; W37-L62 VanDerWaalsContact CE3-CD1 3.43Å; W37-L62 HydrophobicContact CG-CB 4.41Å; W37-L62 HydrophobicContact CG-CD1 4.41Å; W37-L62 HydrophobicContact CH2-CD1 3.99Å; W37-L62 HydrophobicContact CZ2-CD1 4.28Å; W37-L62 HydrophobicContact CZ3-CD1 3.57Å; F58-L62 HydrophobicContact CB-CD1 3.69Å; F58-L62 HydrophobicContact CB-CG 3.83Å; F58-L62 WeakPolarHBondContact O-CG 3.26Å; F58-L62 PolarHBondContact O-N 2.84Å; F58-L62 VanDerWaalsContact O-N 3.08Å; L62-L64 PolarHBondContact O-N 2.86Å; L62-L65 HydrophobicContact CD2-CD1 3.71Å; L62-L65 PolarHBondContact O-N 2.97Å; L62-L65 VanDerWaalsContact O-N 3.17Å; L62-Y71 HydrophobicContact CD1-CG 4.42Å; L62-Y71 HydrophobicContact CD2-CD1 3.65Å; L62-Y71 HydrophobicContact CD2-CE1 4.22Å; L62-Y71 HydrophobicContact CD2-CG 3.85Å
63P97.5Very high97.9Very high58 Ų5822.5 Ų22.538%0.37712%0.116SC..G310 helixtrans-60.9-20.5172-26.937.5000114.8N59 L61 K67N59-P63 VanDerWaalsContact O-CD 3.27Å; N59-P63 WeakPolarHBondContact O-CD 3.27Å; N59-P63 WeakPolarHBondContact O-CG 3.42Å; L61-P63 VanDerWaalsContact C-CD 3.41Å; L61-P63 VanDerWaalsContact C-N 3.32Å; P63-K67 VanDerWaalsContact C-NZ 3.33Å; P63-K67 PolarHBondContact O-NZ 3.22Å
64L98.2Very high97.9Very high88 Ų8822.4 Ų22.446%0.46112%0.116SC..G310 helixtrans-92.5-12.6177.9-54-174.2000113.3L61 L62 P298 A302L61-L64 WeakPolarHBondContact O-CB 3.47Å; L61-L64 PolarHBondContact O-N 3.12Å; L62-L64 PolarHBondContact O-N 2.86Å; L64-P298 HydrophobicContact CD1-CB 3.82Å; L64-P298 HydrophobicContact CD1-CG 3.86Å; L64-A302 HydrophobicContact CB-CB 3.66Å; L64-A302 HydrophobicContact CD1-CB 4.03Å
65L98.3Very high97.9Very high3 Ų322.3 Ų22.32%0.01612%0.115CC..SBendtrans-84.2163.8-177.9-58.3-170.6000112.6L61 L62 K67 Y71 I115 A302 V305L61-L65 HydrophobicContact CD1-CD2 3.91Å; L61-L65 HydrophobicContact CD1-CG 4.29Å; L61-L65 HydrophobicContact CG-CD1 4.22Å; L61-L65 HydrophobicContact CG-CD2 4.35Å; L61-L65 HydrophobicContact CG-CG 4.25Å; L62-L65 HydrophobicContact CD2-CD1 3.71Å; L62-L65 PolarHBondContact O-N 2.97Å; L62-L65 VanDerWaalsContact O-N 3.17Å; L65-K67 PolarHBondContact O-NZ 3.35Å; L65-Y71 HydrophobicContact CB-CE1 4.25Å; L65-Y71 HydrophobicContact CB-CE2 4.25Å; L65-Y71 VanDerWaalsContact CB-OH 3.25Å; L65-Y71 WeakPolarHBondContact CB-OH 3.01Å; L65-Y71 HydrophobicContact CD1-CD1 4.45Å; L65-Y71 HydrophobicContact CD1-CE1 3.74Å; L65-I115 HydrophobicContact CD1-CD1 3.98Å; L65-A302 HydrophobicContact CD2-CB 4.1Å; L65-V305 HydrophobicContact CD1-CG1 3.89Å; L65-V305 HydrophobicContact CD2-CB 4Å; L65-V305 HydrophobicContact CD2-CG1 3.88Å
66P97.1Very high98Very high16 Ų1622.4 Ų22.410%0.10412%0.116CC..  trans-59.8143.5-175.8-24.236000112.9D68 F69 Y71 S306 Q310P66-D68 WeakPolarHBondContact CB-OD1 3.47Å; P66-F69 HydrophobicContact CB-CD2 3.88Å; P66-F69 HydrophobicContact CB-CE2 3.98Å; P66-F69 HydrophobicContact CG-CE2 4.36Å; P66-Y71 WeakPolarHBondContact CD-OH 3.4Å; P66-Y71 WeakPolarHBondContact O-CE2 3.39Å; P66-Y71 PolarHBondContact O-OH 3.33Å; P66-S306 WeakPolarHBondContact CD-OG 3.16Å; P66-Q310 HydrophobicContact CB-CG 4.4Å; P66-Q310 HydrophobicContact CG-CG 3.96Å
67K94.8Very high98Very high99 Ų9922.4 Ų22.443%0.4312%0.116SC..THydrogen-bonded Turntrans-88.2-6.6-167.9-56.1-55178-165.20114.9P39 P63 L65 F69P39-K67 WeakPolarHBondContact CD-O 3.17Å; P63-K67 VanDerWaalsContact C-NZ 3.33Å; P63-K67 PolarHBondContact O-NZ 3.22Å; L65-K67 PolarHBondContact O-NZ 3.35Å; K67-F69 VanDerWaalsContact C-N 3.27Å
68D95.3Very high97.9Very high73 Ų7322.4 Ų22.439%0.3912%0.116SC..THydrogen-bonded Turntrans-84.51.9175.257.7-27.9000113.3G42 R43 P66G42-D68 CarbonylContact C-O 3.58Å; G42-D68 WeakPolarHBondContact CA-O 3.49Å; R43-D68 IonicContact CZ-OD2 3.87Å; R43-D68 PolarHBondContact N-O 3.38Å; R43-D68 IonicContact NH1-OD2 2.72Å; R43-D68 IonicContact NH2-OD1 3.57Å; R43-D68 IonicContact NH2-OD2 2.83Å; R43-D68 PolarHBondContact NH2-OD2 2.85Å; P66-D68 WeakPolarHBondContact CB-OD1 3.47Å
69F97.1Very high97.9Very high3 Ų322.4 Ų22.41%0.01312%0.116CC..EExtended strand (participates in β ladder)trans-104.2152.1174.3-68.5-98.1000111.9R43 V45 P66 K67 Y71 L309 Q310 A313R43-F69 HydrophobicContact CB-CD1 3.49Å; R43-F69 VanDerWaalsContact CB-CD1 3.49Å; R43-F69 HydrophobicContact CB-CE1 3.76Å; R43-F69 HydrophobicContact CB-CG 4.2Å; R43-F69 VanDerWaalsContact NE-CE1 3.28Å; R43-F69 CarbonylContact O-C 3.57Å; R43-F69 WeakPolarHBondContact O-CA 3.29Å; V45-F69 HydrophobicContact CG2-CB 4.1Å; V45-F69 HydrophobicContact CG2-CD1 3.49Å; V45-F69 VanDerWaalsContact CG2-CD1 3.49Å; V45-F69 HydrophobicContact CG2-CE1 4.34Å; V45-F69 HydrophobicContact CG2-CG 4.16Å; P66-F69 HydrophobicContact CB-CD2 3.88Å; P66-F69 HydrophobicContact CB-CE2 3.98Å; P66-F69 HydrophobicContact CG-CE2 4.36Å; K67-F69 VanDerWaalsContact C-N 3.27Å; F69-Y71 HydrophobicContact CB-CD2 4.29Å; F69-Y71 HydrophobicContact CB-CE1 3.98Å; F69-Y71 HydrophobicContact CB-CE2 3.61Å; F69-Y71 VanDerWaalsContact CB-CZ 3.41Å; F69-Y71 WeakPolarHBondContact CB-OH 3.3Å; F69-L309 HydrophobicContact CE1-CB 4.03Å; F69-L309 HydrophobicContact CE1-CD2 4.43Å; F69-L309 HydrophobicContact CE2-CB 4.18Å; F69-L309 HydrophobicContact CZ-CB 3.63Å; F69-Q310 HydrophobicContact CE2-CG 4.31Å; F69-A313 HydrophobicContact CZ-CB 4.49Å
70R97.9Very high97.9Very high56 Ų5621 Ų2121%0.21111%0.109CC..EExtended strand (participates in β ladder)trans-105.2100.9171.6-172.7174.4-170.5168.52.9109V36 W37 P39 D40 G42 R43 V45V36-R70 HydrophobicContact CG1-CG 4.17Å; W37-R70 CarbonylContact O-C 3.58Å; W37-R70 WeakPolarHBondContact O-CA 3.29Å; P39-R70 WeakPolarHBondContact O-CB 3.45Å; D40-R70 VanDerWaalsContact CA-NH1 3.25Å; D40-R70 PolarHBondContact O-NH1 3.13Å; D40-R70 IonicContact OD1-CZ 3.38Å; D40-R70 IonicContact OD1-NE 3.72Å; D40-R70 IonicContact OD1-NH1 3.2Å; D40-R70 PolarHBondContact OD1-NH1 3.35Å; D40-R70 IonicContact OD1-NH2 2.68Å; D40-R70 PolarHBondContact OD1-NH2 2.99Å; G42-R70 WeakPolarHBondContact O-CB 3.33Å; R43-R70 PolarHBondContact O-N 3.16Å; V45-R70 PolarHBondContact N-O 3.2Å
71Y98.7Very high97.9Very high0 Ų021.9 Ų21.90%012%0.116CC..EExtended strand (participates in β ladder)trans-89.7123.2178.9-52.2-86.5000109.9V36 W37 V45 L62 L65 P66 F69 I115 L309V36-Y71 CarbonylContact C-O 3.51Å; V36-Y71 VanDerWaalsContact CA-O 3.29Å; V36-Y71 WeakPolarHBondContact CA-O 3.4Å; W37-Y71 HydrophobicContact CB-CD2 4.3Å; W37-Y71 PolarHBondContact N-O 3.24Å; W37-Y71 PolarHBondContact O-N 3.34Å; V45-Y71 HydrophobicContact CB-CD1 3.6Å; V45-Y71 HydrophobicContact CB-CE1 4.05Å; V45-Y71 HydrophobicContact CB-CG 4.44Å; V45-Y71 HydrophobicContact CG1-CD1 3.81Å; V45-Y71 HydrophobicContact CG1-CE1 4.17Å; V45-Y71 HydrophobicContact CG2-CD1 3.93Å; V45-Y71 HydrophobicContact CG2-CE1 3.87Å; V45-Y71 CarbonylContact O-C 3.45Å; V45-Y71 WeakPolarHBondContact O-CA 3.47Å; L62-Y71 HydrophobicContact CD1-CG 4.42Å; L62-Y71 HydrophobicContact CD2-CD1 3.65Å; L62-Y71 HydrophobicContact CD2-CE1 4.22Å; L62-Y71 HydrophobicContact CD2-CG 3.85Å; L65-Y71 HydrophobicContact CB-CE1 4.25Å; L65-Y71 HydrophobicContact CB-CE2 4.25Å; L65-Y71 VanDerWaalsContact CB-OH 3.25Å; L65-Y71 WeakPolarHBondContact CB-OH 3.01Å; L65-Y71 HydrophobicContact CD1-CD1 4.45Å; L65-Y71 HydrophobicContact CD1-CE1 3.74Å; P66-Y71 WeakPolarHBondContact CD-OH 3.4Å; P66-Y71 WeakPolarHBondContact O-CE2 3.39Å; P66-Y71 PolarHBondContact O-OH 3.33Å; F69-Y71 HydrophobicContact CB-CD2 4.29Å; F69-Y71 HydrophobicContact CB-CE1 3.98Å; F69-Y71 HydrophobicContact CB-CE2 3.61Å; F69-Y71 VanDerWaalsContact CB-CZ 3.41Å; F69-Y71 WeakPolarHBondContact CB-OH 3.3Å; Y71-I115 HydrophobicContact CE1-CD1 4.46Å; Y71-L309 HydrophobicContact CE1-CD1 4.18Å
72V98.8Very high97.9Very high0 Ų022.1 Ų22.10%012%0.118CC..EExtended strand (participates in β ladder)trans-115.3105.4173.81780000107.7L23 V36 V45 L46 C47 V74 L107 W109L23-V72 HydrophobicContact CD1-CG1 4.29Å; L23-V72 HydrophobicContact CD2-CG1 3.58Å; L23-V72 HydrophobicContact CG-CG1 4.42Å; V36-V72 HydrophobicContact CG1-CG2 4.07Å; V36-V72 HydrophobicContact CG2-CG1 4.47Å; V36-V72 HydrophobicContact CG2-CG2 4.11Å; V45-V72 PolarHBondContact O-N 3.05Å; L46-V72 CarbonylContact C-O 3.56Å; L46-V72 WeakPolarHBondContact CA-O 3.27Å; L46-V72 HydrophobicContact CD1-CB 4.43Å; L46-V72 HydrophobicContact CD1-CG1 4.3Å; C47-V72 PolarHBondContact N-O 3.46Å; V72-V74 HydrophobicContact CG1-CG1 4.31Å; V72-L107 HydrophobicContact CB-CD1 4.44Å; V72-L107 HydrophobicContact CG1-CD1 4.07Å; V72-L107 HydrophobicContact CG2-CD1 4.35Å; V72-W109 HydrophobicContact CB-CH2 3.75Å; V72-W109 HydrophobicContact CB-CZ3 4.42Å; V72-W109 HydrophobicContact CG2-CH2 3.37Å; V72-W109 HydrophobicContact CG2-CZ2 3.72Å; V72-W109 HydrophobicContact CG2-CZ3 4.43Å
73A98.8Very high97.9Very high0 Ų023.8 Ų23.80%013%0.129CC..EExtended strand (participates in β ladder)trans-96.9125.9174.100000109.7G34 K35 W37 C47 C55 F58G34-A73 CarbonylContact C-O 3.6Å; G34-A73 WeakPolarHBondContact CA-O 3.38Å; K35-A73 PolarHBondContact N-O 3.09Å; K35-A73 PolarHBondContact O-N 3.31Å; W37-A73 HydrophobicContact CH2-CB 4.18Å; W37-A73 HydrophobicContact CZ3-CB 3.62Å; C47-A73 HydrophobicContact CB-CB 3.75Å; C47-A73 WeakPolarHBondContact O-CA 3.36Å; C55-A73 HydrophobicContact CB-CB 3.78Å; C55-A73 WeakPolarHBondContact CB-O 3.45Å; F58-A73 HydrophobicContact CD2-CB 3.82Å; F58-A73 HydrophobicContact CG-CB 4.49Å
74V98.8Very high97.9Very high4 Ų425 Ų252%0.02413%0.13CC..EExtended strand (participates in β ladder)trans-103.6143.4-178.4-62.60000111.6L23 I32 R33 L46 C47 L48 H49 V72 L76 V103L23-V74 HydrophobicContact CD2-CG1 3.72Å; I32-V74 HydrophobicContact CG2-CB 4.06Å; I32-V74 HydrophobicContact CG2-CG1 4.16Å; R33-V74 CarbonylContact O-C 3.55Å; R33-V74 WeakPolarHBondContact O-CA 3.45Å; L46-V74 HydrophobicContact CD1-CG1 4.09Å; C47-V74 PolarHBondContact O-N 3.26Å; L48-V74 HydrophobicContact CD2-CG2 3.57Å; H49-V74 PolarHBondContact CD2-O 2.94Å; V72-V74 HydrophobicContact CG1-CG1 4.31Å; V74-L76 HydrophobicContact CG2-CD2 4.25Å; V74-V103 HydrophobicContact CG1-CG1 3.95Å; V74-V103 HydrophobicContact CG1-CG2 4.34Å
75D98.8Very high97.8Very high0 Ų021.3 Ų21.30%011%0.11CC..EExtended strand (participates in β ladder)trans-76115.2158.3-65.9-33.1000106.9R33 N54 C55 C81 S82 R207R33-D75 HydrophobicContact CB-CB 4.48Å; R33-D75 WeakPolarHBondContact O-CB 3.4Å; R33-D75 PolarHBondContact O-N 2.96Å; N54-D75 WeakPolarHBondContact CB-OD1 3.38Å; C55-D75 VanDerWaalsContact CB-OD1 3.32Å; C55-D75 WeakPolarHBondContact CB-OD1 3.13Å; C55-D75 PolarHBondContact N-OD1 2.9Å; C55-D75 PolarHBondContact SG-OD1 3.28Å; C55-D75 VanDerWaalsContact SG-OD1 3.39Å; D75-C81 PolarHBondContact OD2-N 2.89Å; D75-S82 VanDerWaalsContact CB-OG 3.32Å; D75-S82 WeakPolarHBondContact CB-OG 3.31Å; D75-S82 WeakPolarHBondContact O-CB 3.49Å; D75-S82 PolarHBondContact O-OG 2.79Å; D75-R207 IonicContact OD1-NE 3.32Å; D75-R207 IonicContact OD2-CZ 2.85Å; D75-R207 IonicContact OD2-NE 3.79Å; D75-R207 PolarHBondContact OD2-NE 3.46Å; D75-R207 IonicContact OD2-NH2 3.86Å; D75-R207 PolarHBondContact OD2-NH2 2.82Å
76L98.6Very high97.6Very high3 Ų323.9 Ų23.92%0.01613%0.127CC..  trans-65.6158.7176.2-67.3169.8000110.6L48 H49 V74 G78 H79 S82 Y96 M119 I123L48-L76 HydrophobicContact CD2-CD2 4.41Å; H49-L76 PolarHBondContact NE2-N 3.39Å; V74-L76 HydrophobicContact CG2-CD2 4.25Å; L76-G78 PolarHBondContact O-N 3.03Å; L76-H79 VanDerWaalsContact O-CB 3.32Å; L76-H79 WeakPolarHBondContact O-CB 3.44Å; L76-H79 PolarHBondContact O-N 3.24Å; L76-S82 WeakPolarHBondContact O-CB 3.4Å; L76-Y96 HydrophobicContact CB-CD1 4.14Å; L76-Y96 HydrophobicContact CB-CE1 4Å; L76-Y96 HydrophobicContact CD2-CD1 4.31Å; L76-M119 HydrophobicContact CD1-CE 3.45Å; L76-M119 VanDerWaalsContact CD1-CE 3.45Å; L76-I123 HydrophobicContact CD1-CD1 3.55Å; L76-I123 HydrophobicContact CD2-CD1 4.37Å
77A98.3Very high97.4Very high0 Ų028.9 Ų28.90%016%0.159CC..THydrogen-bonded Turntrans-47.4134.6178.800000111.5W29 I32 H79 R85 Y91 Y96W29-A77 HydrophobicContact CH2-CB 3.3Å; W29-A77 HydrophobicContact CZ2-CB 3.6Å; W29-A77 HydrophobicContact CZ3-CB 4.1Å; I32-A77 HydrophobicContact CD1-CB 4.49Å; A77-H79 PolarHBondContact O-N 3.47Å; A77-H79 PolarHBondContact O-ND1 3.14Å; A77-R85 HydrophobicContact CB-CG 4.31Å; A77-Y91 HydrophobicContact CB-CE1 4.08Å; A77-Y91 WeakPolarHBondContact O-CE1 3.48Å; A77-Y96 HydrophobicContact CB-CE1 4.13Å
78G97.6Very high97.1Very high0 Ų026.5 Ų26.50%016%0.163CC..THydrogen-bonded Turntrans72.87.6-178.200000115.7L76 S83 Y91 R220 D221L76-G78 PolarHBondContact O-N 3.03Å; G78-S83 PolarHBondContact N-O 3.24Å; G78-Y91 WeakPolarHBondContact CA-OH 3.29Å; G78-R220 CarbonylContact O-C 3.59Å; G78-R220 WeakPolarHBondContact O-CA 3.39Å; G78-R220 WeakPolarHBondContact O-CB 3.5Å; G78-D221 PolarHBondContact O-N 3.21Å
79H98.4Very high97.1Very high0 Ų025.8 Ų25.80%016%0.161CC..SBendtrans-123160.8178.4-6173.8000111.6H49 A52 D53 L76 A77 C81 S82 Y96H49-H79 AromaticContact CE1-CD2 3.54Å; H49-H79 AromaticContact CE1-CG 3.55Å; A52-H79 PolarHBondContact N-NE2 3.48Å; A52-H79 VanDerWaalsContact N-NE2 3.2Å; D53-H79 PolarHBondContact O-CD2 2.96Å; L76-H79 VanDerWaalsContact O-CB 3.32Å; L76-H79 WeakPolarHBondContact O-CB 3.44Å; L76-H79 PolarHBondContact O-N 3.24Å; A77-H79 PolarHBondContact O-N 3.47Å; A77-H79 PolarHBondContact O-ND1 3.14Å; H79-C81 PolarHBondContact O-N 3.46Å; H79-S82 WeakPolarHBondContact O-CB 3.19Å; H79-S82 PolarHBondContact O-N 2.7Å; H79-Y96 PolarHBondContact CE1-OH 3.43Å
80G97.7Very high96.8Very high4 Ų428.3 Ų28.34%0.04118%0.175CC..THydrogen-bonded Turntrans51.6-123.6174.300000112.6R207 S219G80-R207 CarbonylContact C-O 3.52Å; G80-R207 WeakPolarHBondContact CA-O 3.39Å; G80-S219 WeakPolarHBondContact O-CB 3.24Å; G80-S219 PolarHBondContact O-OG 3.2Å
81C97.9Very high96.7Very high53 Ų5326.7 Ų26.736%0.35817%0.169SC..THydrogen-bonded Turntrans-991.1175.5-59.10000113.8R33 D75 H79R33-C81 HydrophobicContact CB-CB 3.86Å; R33-C81 HydrophobicContact CG-CB 4.03Å; R33-C81 WeakPolarHBondContact CG-O 3.4Å; D75-C81 PolarHBondContact OD2-N 2.89Å; H79-C81 PolarHBondContact O-N 3.46Å
82S98.6Very high96.4Very high5 Ų527.3 Ų27.34%0.03517%0.173CC..SBendtrans-70.8149.4178.7-77.20000111.7I32 R33 D75 L76 H79I32-S82 WeakPolarHBondContact CA-OG 3.49Å; R33-S82 PolarHBondContact N-OG 2.91Å; D75-S82 VanDerWaalsContact CB-OG 3.32Å; D75-S82 WeakPolarHBondContact CB-OG 3.31Å; D75-S82 WeakPolarHBondContact O-CB 3.49Å; D75-S82 PolarHBondContact O-OG 2.79Å; L76-S82 WeakPolarHBondContact O-CB 3.4Å; H79-S82 WeakPolarHBondContact O-CB 3.19Å; H79-S82 PolarHBondContact O-N 2.7Å
83S98.3Very high96.2Very high34 Ų3428.9 Ų28.924%0.23818%0.18CC..PPolyproline II helixtrans-60.9152.9177.4-61.10000111.2W29 E31 G78W29-S83 WeakPolarHBondContact CZ3-O 3.44Å; E31-S83 PolarHBondContact N-OG 3.13Å; E31-S83 PolarHBondContact O-N 3.49Å; G78-S83 PolarHBondContact N-O 3.24Å
84H97.4Very high96Very high85 Ų8532.4 Ų32.439%0.39420%0.203SC..PPolyproline II helixtrans-79151.7172.1-61.4-178.8000108.7S219 D221H84-S219 PolarHBondContact CE1-O 3.17Å; H84-S219 PolarHBondContact NE2-O 3.38Å; H84-D221 HydrophobicContact CB-CB 4.32Å; H84-D221 IonicContact CG-OD2 3.4Å; H84-D221 IonicContact ND1-OD2 3.56Å
85R96.3Very high95.8Very high9 Ų933.6 Ų33.63%0.03421%0.212CC..PPolyproline II helixtrans-63.2156169.3-66.8-168.7-172.2-71.30110.2A77 V89 L90 Y91 S95 D99 R223A77-R85 HydrophobicContact CB-CG 4.31Å; R85-V89 HydrophobicContact CB-CB 4.1Å; R85-V89 HydrophobicContact CB-CG1 4.21Å; R85-L90 WeakPolarHBondContact CD-O 3.42Å; R85-Y91 HydrophobicContact CB-CE1 4.26Å; R85-Y91 HydrophobicContact CB-CE2 4.34Å; R85-Y91 HydrophobicContact CG-CD1 4.18Å; R85-Y91 HydrophobicContact CG-CE1 3.6Å; R85-Y91 HydrophobicContact CG-CE2 4.47Å; R85-Y91 PolarHBondContact N-OH 3.41Å; R85-S95 PolarHBondContact NH2-O 2.91Å; R85-D99 IonicContact CZ-OD2 3.97Å; R85-D99 VanDerWaalsContact CZ-OD2 3.27Å; R85-D99 IonicContact NH1-OD1 3.85Å; R85-D99 IonicContact NH1-OD2 2.64Å; R85-D99 PolarHBondContact NH1-OD2 2.88Å; R85-D99 VanDerWaalsContact NH1-OD2 3.09Å; R85-D99 IonicContact NH2-OD2 3.18Å; R85-D99 PolarHBondContact NH2-OD2 2.94Å; R85-R223 PolarHBondContact O-NH2 3.17Å
86P95.2Very high95.8Very high58 Ų5834 Ų3438%0.37721%0.213SC..PPolyproline II helixtrans-60.8158.1175.2-22.235.3000112W29 V89 R223W29-P86 HydrophobicContact CB-CG 3.74Å; P86-V89 HydrophobicContact CB-CG2 4.17Å; P86-V89 HydrophobicContact CG-CG2 4.42Å; P86-V89 WeakPolarHBondContact O-CB 3.32Å; P86-V89 PolarHBondContact O-N 2.86Å; P86-R223 PolarHBondContact O-NH1 3.47Å
87P91.5Very high95.7Very high120 Ų12034.1 Ų34.178%0.77921%0.214SC*.THydrogen-bonded Turntrans-50.4147.9169-26.435.8000112.1V89P87-V89 PolarHBondContact O-N 3.49Å
88G90.1Very high95.7Very high50 Ų5038 Ų3852%0.51523%0.234SC..THydrogen-bonded Turntrans79.5-13-17600000115.7E169G88-E169 VanDerWaalsContact CA-OE1 3.22Å; G88-E169 WeakPolarHBondContact CA-OE1 3.44Å; G88-E169 PolarHBondContact N-OE1 3.31Å
89V93.3Very high95.8Very high58 Ų5838.1 Ų38.135%0.35223%0.234SC..  trans-96.1129.2-176.5-1720000111.6R85 P86 P87R85-V89 HydrophobicContact CB-CB 4.1Å; R85-V89 HydrophobicContact CB-CG1 4.21Å; P86-V89 HydrophobicContact CB-CG2 4.17Å; P86-V89 HydrophobicContact CG-CG2 4.42Å; P86-V89 WeakPolarHBondContact O-CB 3.32Å; P86-V89 PolarHBondContact O-N 2.86Å; P87-V89 PolarHBondContact O-N 3.49Å
90L92.3Very high95.8Very high56 Ų5638.2 Ų38.229%0.29324%0.235SC..  trans-79.9149.8178-63171.9000112.5R85 L162 M165 V229R85-L90 WeakPolarHBondContact CD-O 3.42Å; L90-L162 HydrophobicContact CD1-CD2 4.27Å; L90-M165 HydrophobicContact CD2-CB 3.89Å; L90-M165 HydrophobicContact CD2-CG 3.64Å; L90-M165 HydrophobicContact CD2-SD 3.89Å; L90-V229 HydrophobicContact CD1-CG2 3.65Å
91Y94.6Very high95.8Very high22 Ų2241.5 Ų41.59%0.08625%0.246CC..  trans-91.1102167.2-69.7-88.3000109.6A77 G78 R85 Y96 D221 R223 I224A77-Y91 HydrophobicContact CB-CE1 4.08Å; A77-Y91 WeakPolarHBondContact O-CE1 3.48Å; G78-Y91 WeakPolarHBondContact CA-OH 3.29Å; R85-Y91 HydrophobicContact CB-CE1 4.26Å; R85-Y91 HydrophobicContact CB-CE2 4.34Å; R85-Y91 HydrophobicContact CG-CD1 4.18Å; R85-Y91 HydrophobicContact CG-CE1 3.6Å; R85-Y91 HydrophobicContact CG-CE2 4.47Å; R85-Y91 PolarHBondContact N-OH 3.41Å; Y91-Y96 HydrophobicContact CD1-CE1 4.16Å; Y91-Y96 AromaticContact CD1-CZ 3.81Å; Y91-Y96 VanDerWaalsContact CD1-OH 3.22Å; Y91-Y96 WeakPolarHBondContact CD1-OH 3.4Å; Y91-D221 HydrophobicContact CE2-CB 4.28Å; Y91-D221 VanDerWaalsContact CE2-OD2 3.32Å; Y91-D221 WeakPolarHBondContact CE2-OD2 3.41Å; Y91-D221 WeakPolarHBondContact OH-CB 3.39Å; Y91-D221 PolarHBondContact OH-OD2 3.43Å; Y91-R223 HydrophobicContact CD2-CB 3.88Å; Y91-R223 HydrophobicContact CE2-CB 3.78Å; Y91-I224 HydrophobicContact CD1-CG2 3.97Å; Y91-I224 HydrophobicContact CD2-CG2 4.05Å; Y91-I224 HydrophobicContact CE1-CG2 3.97Å; Y91-I224 HydrophobicContact CE2-CG2 4.06Å; Y91-I224 HydrophobicContact CG-CG2 3.99Å
92A93.4Very high95.8Very high12 Ų1242.1 Ų42.110%0.09924%0.24CC..  trans-127.8153.4-177.600000111.1S95 Y96 A230A92-S95 WeakPolarHBondContact O-CB 3.41Å; A92-S95 PolarHBondContact O-N 3.02Å; A92-S95 VanDerWaalsContact O-N 3.09Å; A92-Y96 WeakPolarHBondContact O-CD2 3.2Å; A92-Y96 PolarHBondContact O-N 3.46Å; A92-Y96 VanDerWaalsContact O-N 3.16Å; A92-A230 HydrophobicContact CB-CB 3.87Å
93F93.4Very high95.8Very high33 Ų3342 Ų4215%0.14524%0.24CC..Hα-helixtrans-53.7-48.1-179.2-82.3-72.1000113.6S95 Y96 V97 M119 N122 I123 M126 N228F93-S95 PolarHBondContact O-N 3.33Å; F93-Y96 PolarHBondContact O-N 2.91Å; F93-V97 WeakPolarHBondContact O-CG2 3.29Å; F93-V97 PolarHBondContact O-N 3.28Å; F93-M119 HydrophobicContact CE1-CG 3.98Å; F93-M119 HydrophobicContact CZ-CG 4.19Å; F93-N122 HydrophobicContact CD1-CB 4.4Å; F93-N122 HydrophobicContact CE1-CB 3.57Å; F93-N122 HydrophobicContact CZ-CB 3.93Å; F93-I123 HydrophobicContact CD1-CG1 3.68Å; F93-I123 HydrophobicContact CE1-CG1 3.88Å; F93-M126 HydrophobicContact CB-SD 4.24Å; F93-N228 WeakPolarHBondContact CD2-ND2 3.47Å; F93-N228 WeakPolarHBondContact CE2-ND2 3.34Å
94P94.5Very high95.8Very high74 Ų7440.4 Ų40.448%0.48123%0.228SC..Hα-helixtrans-57.9-36.4177.8-2736.3000113.2V97 M98 A230P94-V97 PolarHBondContact O-N 3.02Å; P94-M98 PolarHBondContact O-N 2.72Å; P94-A230 HydrophobicContact CG-CB 4.34Å
95S96.1Very high95.9Very high29 Ų2942.2 Ų42.220%0.20324%0.237CC..Hα-helixtrans-66.8-38.3177-51.40000111.9R85 A92 F93 M98 D99R85-S95 PolarHBondContact NH2-O 2.91Å; A92-S95 WeakPolarHBondContact O-CB 3.41Å; A92-S95 PolarHBondContact O-N 3.02Å; A92-S95 VanDerWaalsContact O-N 3.09Å; F93-S95 PolarHBondContact O-N 3.33Å; S95-M98 PolarHBondContact O-N 3.11Å; S95-D99 PolarHBondContact O-N 3.21Å
96Y97.5Very high96Very high9 Ų944.5 Ų44.54%0.03526%0.258CS..Hα-helixtrans-68.1-39.6173.9-70.1-61.6000112.5L76 A77 H79 Y91 A92 F93 M98 D99 V100 M119 I123L76-Y96 HydrophobicContact CB-CD1 4.14Å; L76-Y96 HydrophobicContact CB-CE1 4Å; L76-Y96 HydrophobicContact CD2-CD1 4.31Å; A77-Y96 HydrophobicContact CB-CE1 4.13Å; H79-Y96 PolarHBondContact CE1-OH 3.43Å; Y91-Y96 HydrophobicContact CD1-CE1 4.16Å; Y91-Y96 AromaticContact CD1-CZ 3.81Å; Y91-Y96 VanDerWaalsContact CD1-OH 3.22Å; Y91-Y96 WeakPolarHBondContact CD1-OH 3.4Å; A92-Y96 WeakPolarHBondContact O-CD2 3.2Å; A92-Y96 PolarHBondContact O-N 3.46Å; A92-Y96 VanDerWaalsContact O-N 3.16Å; F93-Y96 PolarHBondContact O-N 2.91Å; Y96-M98 VanDerWaalsContact C-N 3.31Å; Y96-M98 PolarHBondContact O-N 3.2Å; Y96-D99 PolarHBondContact O-N 3.42Å; Y96-D99 VanDerWaalsContact O-N 3.14Å; Y96-V100 WeakPolarHBondContact O-CG2 3.36Å; Y96-V100 PolarHBondContact O-N 3.43Å; Y96-M119 HydrophobicContact CE2-SD 4.4Å; Y96-I123 HydrophobicContact CD2-CD1 4.09Å; Y96-I123 HydrophobicContact CG-CD1 3.88Å
97V98.1Very high96.1Very high5 Ų543.4 Ų43.43%0.0325%0.248CC..Hα-helixtrans-61.1-42.2174.9173.20000110.8F93 P94 D99 V100 R101 I123 M126 F127 L130 Y131F93-V97 WeakPolarHBondContact O-CG2 3.29Å; F93-V97 PolarHBondContact O-N 3.28Å; P94-V97 PolarHBondContact O-N 3.02Å; V97-D99 VanDerWaalsContact C-N 3.33Å; V97-D99 PolarHBondContact O-N 2.98Å; V97-V100 WeakPolarHBondContact O-CB 3.44Å; V97-V100 PolarHBondContact O-N 2.94Å; V97-R101 PolarHBondContact O-N 3.32Å; V97-I123 HydrophobicContact CG2-CG2 4.08Å; V97-M126 HydrophobicContact CG2-CB 3.95Å; V97-M126 HydrophobicContact CG2-CG 3.82Å; V97-M126 HydrophobicContact CG2-SD 3.86Å; V97-F127 HydrophobicContact CG1-CB 4.28Å; V97-F127 HydrophobicContact CG1-CD2 3.97Å; V97-L130 HydrophobicContact CG1-CD1 4.12Å; V97-Y131 HydrophobicContact CG1-CE2 4.29Å
98M97.8Very high96.4Very high83 Ų8346.2 Ų46.241%0.40925%0.251SS..Hα-helixtrans-62.6-38.9173.7179.8178.749.300112P94 S95 Y96 R101 R102P94-M98 PolarHBondContact O-N 2.72Å; S95-M98 PolarHBondContact O-N 3.11Å; Y96-M98 VanDerWaalsContact C-N 3.31Å; Y96-M98 PolarHBondContact O-N 3.2Å; M98-R101 WeakPolarHBondContact O-CB 3.25Å; M98-R101 PolarHBondContact O-N 3.07Å; M98-R102 WeakPolarHBondContact O-CG 3.1Å; M98-R102 PolarHBondContact O-N 2.87Å; M98-R102 PolarHBondContact SD-NH2 3Å
99D98.4Very high96.8Very high2 Ų245.4 Ų45.41%0.01123%0.233CC..Hα-helixtrans-66.4-39.3175.8-64-28.3000111.6R85 S95 Y96 V97 R101 R102 V103R85-D99 IonicContact CZ-OD2 3.97Å; R85-D99 VanDerWaalsContact CZ-OD2 3.27Å; R85-D99 IonicContact NH1-OD1 3.85Å; R85-D99 IonicContact NH1-OD2 2.64Å; R85-D99 PolarHBondContact NH1-OD2 2.88Å; R85-D99 VanDerWaalsContact NH1-OD2 3.09Å; R85-D99 IonicContact NH2-OD2 3.18Å; R85-D99 PolarHBondContact NH2-OD2 2.94Å; S95-D99 PolarHBondContact O-N 3.21Å; Y96-D99 PolarHBondContact O-N 3.42Å; Y96-D99 VanDerWaalsContact O-N 3.14Å; V97-D99 VanDerWaalsContact C-N 3.33Å; V97-D99 PolarHBondContact O-N 2.98Å; D99-R101 VanDerWaalsContact C-N 3.32Å; D99-R101 PolarHBondContact O-N 2.74Å; D99-R102 WeakPolarHBondContact O-CB 3.3Å; D99-R102 PolarHBondContact O-N 2.89Å; D99-R102 IonicContact OD1-NH1 2.69Å; D99-R102 PolarHBondContact OD1-NH1 2.91Å; D99-V103 WeakPolarHBondContact O-CG2 3.33Å; D99-V103 PolarHBondContact O-N 2.83Å
100V98.7Very high97Very high2 Ų247.5 Ų47.51%0.01225%0.25CC..Hα-helixtrans-58.8-44.7170.7169.10000110.7L46 L48 Y96 V97 R102 V103 V104 I123 F127L46-V100 HydrophobicContact CD2-CG1 3.55Å; L48-V100 HydrophobicContact CD1-CG2 3.97Å; L48-V100 HydrophobicContact CD2-CG2 3.96Å; Y96-V100 WeakPolarHBondContact O-CG2 3.36Å; Y96-V100 PolarHBondContact O-N 3.43Å; V97-V100 WeakPolarHBondContact O-CB 3.44Å; V97-V100 PolarHBondContact O-N 2.94Å; V100-R102 VanDerWaalsContact C-N 3.3Å; V100-R102 PolarHBondContact O-N 2.86Å; V100-V103 PolarHBondContact O-N 2.89Å; V100-V103 VanDerWaalsContact O-N 3.16Å; V100-V104 HydrophobicContact CG1-CG2 4.26Å; V100-V104 VanDerWaalsContact O-CG2 3.29Å; V100-V104 WeakPolarHBondContact O-CG2 3.45Å; V100-V104 PolarHBondContact O-N 3.47Å; V100-I123 HydrophobicContact CG2-CG2 3.87Å; V100-F127 HydrophobicContact CB-CD2 4.04Å; V100-F127 HydrophobicContact CB-CE2 4.37Å; V100-F127 HydrophobicContact CG1-CD2 3.5Å; V100-F127 VanDerWaalsContact CG1-CD2 3.5Å; V100-F127 HydrophobicContact CG1-CE2 3.69Å; V100-F127 HydrophobicContact CG1-CG 4.03Å; V100-F127 HydrophobicContact CG1-CZ 4.35Å
101R98.6Very high97.2Very high73 Ų7349.8 Ų49.828%0.27526%0.257SS..Hα-helixtrans-59-40.7177.3-17563.5-167.684.5-1.7112.3V97 M98 D99 V104 E105 F127V97-R101 PolarHBondContact O-N 3.32Å; M98-R101 WeakPolarHBondContact O-CB 3.25Å; M98-R101 PolarHBondContact O-N 3.07Å; D99-R101 VanDerWaalsContact C-N 3.32Å; D99-R101 PolarHBondContact O-N 2.74Å; R101-V104 PolarHBondContact O-N 3.26Å; R101-E105 WeakPolarHBondContact O-CB 3.42Å; R101-E105 PolarHBondContact O-N 3.28Å; R101-F127 HydrophobicContact CB-CE2 3.99Å
102R98.6Very high97.4Very high65 Ų6548.8 Ų48.825%0.24525%0.254CS..Hα-helixtrans-64.8-41.6175.3-70.4174.9177.8126.83.7112.5M98 D99 V100 E105 A106M98-R102 WeakPolarHBondContact O-CG 3.1Å; M98-R102 PolarHBondContact O-N 2.87Å; M98-R102 PolarHBondContact SD-NH2 3Å; D99-R102 WeakPolarHBondContact O-CB 3.3Å; D99-R102 PolarHBondContact O-N 2.89Å; D99-R102 IonicContact OD1-NH1 2.69Å; D99-R102 PolarHBondContact OD1-NH1 2.91Å; V100-R102 VanDerWaalsContact C-N 3.3Å; V100-R102 PolarHBondContact O-N 2.86Å; R102-E105 WeakPolarHBondContact O-CB 3.41Å; R102-E105 PolarHBondContact O-N 2.86Å; R102-A106 WeakPolarHBondContact O-CB 3.39Å; R102-A106 PolarHBondContact O-N 3.01Å
103V98.8Very high97.6Very high3 Ų348.7 Ų48.72%0.01825%0.252CS..Hα-helixtrans-60.8-50176169.20000110.4V25 I32 L46 V74 D99 V100 E105 A106 L107V25-V103 HydrophobicContact CG1-CG2 4.48Å; V25-V103 HydrophobicContact CG2-CG2 4.49Å; I32-V103 HydrophobicContact CB-CG2 4.2Å; I32-V103 HydrophobicContact CG1-CG2 4.39Å; I32-V103 HydrophobicContact CG2-CG2 3.71Å; L46-V103 HydrophobicContact CD1-CG1 4.05Å; V74-V103 HydrophobicContact CG1-CG1 3.95Å; V74-V103 HydrophobicContact CG1-CG2 4.34Å; D99-V103 WeakPolarHBondContact O-CG2 3.33Å; D99-V103 PolarHBondContact O-N 2.83Å; V100-V103 PolarHBondContact O-N 2.89Å; V100-V103 VanDerWaalsContact O-N 3.16Å; V103-E105 VanDerWaalsContact C-N 3.3Å; V103-E105 PolarHBondContact O-N 2.82Å; V103-A106 PolarHBondContact O-N 3.44Å; V103-L107 HydrophobicContact CG1-CD1 3.73Å; V103-L107 HydrophobicContact CG1-CG 4.4Å; V103-L107 VanDerWaalsContact O-CG 3.27Å; V103-L107 WeakPolarHBondContact O-CG 3.4Å; V103-L107 PolarHBondContact O-N 3.41Å
104V98.3Very high97.9Very high0 Ų047.1 Ų47.10%025%0.245CC..Hα-helixtrans-62.8-38.1-179.7172.50000111.3L46 V100 R101 L107 Q108 W109 F112 M134L46-V104 HydrophobicContact CD2-CG2 4.13Å; V100-V104 HydrophobicContact CG1-CG2 4.26Å; V100-V104 VanDerWaalsContact O-CG2 3.29Å; V100-V104 WeakPolarHBondContact O-CG2 3.45Å; V100-V104 PolarHBondContact O-N 3.47Å; R101-V104 PolarHBondContact O-N 3.26Å; V104-L107 PolarHBondContact O-N 2.85Å; V104-Q108 PolarHBondContact O-N 3.01Å; V104-Q108 VanDerWaalsContact O-N 3.1Å; V104-W109 HydrophobicContact CG1-CB 3.99Å; V104-W109 VanDerWaalsContact CG1-O 3.27Å; V104-W109 WeakPolarHBondContact CG1-O 3.27Å; V104-W109 PolarHBondContact O-N 3.48Å; V104-W109 VanDerWaalsContact O-N 3.08Å; V104-F112 HydrophobicContact CB-CE1 4.33Å; V104-F112 HydrophobicContact CB-CZ 4.37Å; V104-F112 HydrophobicContact CG1-CD1 4.06Å; V104-F112 HydrophobicContact CG1-CE1 3.51Å; V104-F112 HydrophobicContact CG1-CZ 4.02Å; V104-F112 HydrophobicContact CG2-CE1 3.8Å; V104-F112 HydrophobicContact CG2-CE2 3.86Å; V104-F112 HydrophobicContact CG2-CZ 3.4Å; V104-M134 HydrophobicContact CG1-CE 3.48Å; V104-M134 VanDerWaalsContact CG1-CE 3.48Å
105E98.3Very high98.1Very high123 Ų12343.6 Ų43.658%0.57522%0.222SC*.Hα-helixtrans-60.9-49172.5-168173.2-16100112.3R101 R102 V103 L107 Q108R101-E105 WeakPolarHBondContact O-CB 3.42Å; R101-E105 PolarHBondContact O-N 3.28Å; R102-E105 WeakPolarHBondContact O-CB 3.41Å; R102-E105 PolarHBondContact O-N 2.86Å; V103-E105 VanDerWaalsContact C-N 3.3Å; V103-E105 PolarHBondContact O-N 2.82Å; E105-L107 VanDerWaalsContact C-N 3.26Å; E105-L107 PolarHBondContact O-N 2.81Å; E105-Q108 WeakPolarHBondContact O-CA 3.31Å; E105-Q108 PolarHBondContact O-N 2.82Å
106A98.3Very high98.2Very high57 Ų5742.2 Ų42.247%0.47121%0.213SC..Hα-helixtrans-64.7-31.5179.800000112.7V25 R102 V103V25-A106 HydrophobicContact CB-CB 4.5Å; V25-A106 HydrophobicContact CG1-CB 3.56Å; V25-A106 HydrophobicContact CG2-CB 4.2Å; R102-A106 WeakPolarHBondContact O-CB 3.39Å; R102-A106 PolarHBondContact O-N 3.01Å; V103-A106 PolarHBondContact O-N 3.44Å
107L97.6Very high98.3Very high35 Ų3541.8 Ų41.818%0.18321%0.211CC..THydrogen-bonded Turntrans-78.7-8.2173.2-66.2171.5000113.1L23 V72 V103 V104 E105 W109L23-L107 HydrophobicContact CD1-CD2 3.96Å; V72-L107 HydrophobicContact CB-CD1 4.44Å; V72-L107 HydrophobicContact CG1-CD1 4.07Å; V72-L107 HydrophobicContact CG2-CD1 4.35Å; V103-L107 HydrophobicContact CG1-CD1 3.73Å; V103-L107 HydrophobicContact CG1-CG 4.4Å; V103-L107 VanDerWaalsContact O-CG 3.27Å; V103-L107 WeakPolarHBondContact O-CG 3.4Å; V103-L107 PolarHBondContact O-N 3.41Å; V104-L107 PolarHBondContact O-N 2.85Å; E105-L107 VanDerWaalsContact C-N 3.26Å; E105-L107 PolarHBondContact O-N 2.81Å; L107-W109 HydrophobicContact CB-CD2 3.87Å; L107-W109 HydrophobicContact CB-CE3 4.48Å; L107-W109 HydrophobicContact CB-CG 3.94Å; L107-W109 HydrophobicContact CD1-CD2 4.05Å; L107-W109 HydrophobicContact CD1-CE3 3.92Å; L107-W109 HydrophobicContact CD1-CH2 3.92Å; L107-W109 HydrophobicContact CD1-CZ2 3.99Å; L107-W109 HydrophobicContact CD1-CZ3 3.85Å; L107-W109 PolarHBondContact O-N 2.82Å
108Q97.9Very high98.2Very high179 Ų17942.2 Ų42.284%0.83621%0.214SC*.THydrogen-bonded Turntrans56.936.5-176.9-51.7-176.9-7000112.9V104 E105V104-Q108 PolarHBondContact O-N 3.01Å; V104-Q108 VanDerWaalsContact O-N 3.1Å; E105-Q108 WeakPolarHBondContact O-CA 3.31Å; E105-Q108 PolarHBondContact O-N 2.82Å
109W98Very high98.2Very high34 Ų3439 Ų3913%0.12920%0.198CC..  trans-90.2120.6178.1-67.6-6.8000110.4P44 L46 V72 V104 L107 F112 M134P44-W109 HydrophobicContact CB-CD2 3.46Å; P44-W109 VanDerWaalsContact CB-CD2 3.46Å; P44-W109 HydrophobicContact CB-CE3 3.68Å; P44-W109 HydrophobicContact CB-CG 4.06Å; P44-W109 HydrophobicContact CB-CH2 3.66Å; P44-W109 HydrophobicContact CB-CZ2 3.48Å; P44-W109 VanDerWaalsContact CB-CZ2 3.48Å; P44-W109 HydrophobicContact CB-CZ3 3.78Å; P44-W109 HydrophobicContact CG-CD2 4.35Å; L46-W109 HydrophobicContact CB-CZ3 4.23Å; V72-W109 HydrophobicContact CB-CH2 3.75Å; V72-W109 HydrophobicContact CB-CZ3 4.42Å; V72-W109 HydrophobicContact CG2-CH2 3.37Å; V72-W109 HydrophobicContact CG2-CZ2 3.72Å; V72-W109 HydrophobicContact CG2-CZ3 4.43Å; V104-W109 HydrophobicContact CG1-CB 3.99Å; V104-W109 VanDerWaalsContact CG1-O 3.27Å; V104-W109 WeakPolarHBondContact CG1-O 3.27Å; V104-W109 PolarHBondContact O-N 3.48Å; V104-W109 VanDerWaalsContact O-N 3.08Å; L107-W109 HydrophobicContact CB-CD2 3.87Å; L107-W109 HydrophobicContact CB-CE3 4.48Å; L107-W109 HydrophobicContact CB-CG 3.94Å; L107-W109 HydrophobicContact CD1-CD2 4.05Å; L107-W109 HydrophobicContact CD1-CE3 3.92Å; L107-W109 HydrophobicContact CD1-CH2 3.92Å; L107-W109 HydrophobicContact CD1-CZ2 3.99Å; L107-W109 HydrophobicContact CD1-CZ3 3.85Å; L107-W109 PolarHBondContact O-N 2.82Å; W109-F112 HydrophobicContact CB-CD1 4.38Å; W109-F112 HydrophobicContact CE3-CB 3.94Å; W109-F112 HydrophobicContact CE3-CD2 4.2Å; W109-F112 HydrophobicContact CE3-CG 4.03Å; W109-F112 HydrophobicContact CZ3-CB 4.48Å; W109-F112 HydrophobicContact CZ3-CD2 4.47Å; W109-M134 WeakPolarHBondContact O-CE 3.47Å
110S96.9Very high98.2Very high101 Ų10139 Ų3971%0.70620%0.198SC*.SBendtrans-89.7-29.8172.552.60000112.5M134S110-M134 WeakPolarHBondContact O-CA 3.45Å
111K97.4Very high98.2Very high105 Ų10538.9 Ų38.946%0.45720%0.197SC..SBendtrans-145135178.6-144178.9-166.2-154.20111.4P44 M134 D136P44-K111 VanDerWaalsContact CG-O 3.25Å; P44-K111 WeakPolarHBondContact CG-O 3.31Å; K111-M134 CarbonylContact C-O 3.55Å; K111-M134 VanDerWaalsContact CA-O 3.29Å; K111-M134 WeakPolarHBondContact CA-O 3.32Å; K111-D136 WeakPolarHBondContact CD-OD1 3.49Å; K111-D136 WeakPolarHBondContact CE-OD1 3.32Å; K111-D136 WeakPolarHBondContact CG-OD2 3.32Å; K111-D136 IonicContact NZ-OD1 3.77Å; K111-D136 PolarHBondContact NZ-OD1 2.87Å
112F98.4Very high98.1Very high1 Ų135.9 Ų35.90%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-160.5168.1-174.564.1-74.3000113.1P44 L46 V104 W109 I114 F127 M134 V135 D136P44-F112 HydrophobicContact CB-CB 3.83Å; P44-F112 HydrophobicContact CG-CB 3.73Å; L46-F112 HydrophobicContact CB-CD2 3.88Å; L46-F112 HydrophobicContact CB-CE2 3.83Å; L46-F112 HydrophobicContact CD2-CE2 4Å; V104-F112 HydrophobicContact CB-CE1 4.33Å; V104-F112 HydrophobicContact CB-CZ 4.37Å; V104-F112 HydrophobicContact CG1-CD1 4.06Å; V104-F112 HydrophobicContact CG1-CE1 3.51Å; V104-F112 HydrophobicContact CG1-CZ 4.02Å; V104-F112 HydrophobicContact CG2-CE1 3.8Å; V104-F112 HydrophobicContact CG2-CE2 3.86Å; V104-F112 HydrophobicContact CG2-CZ 3.4Å; W109-F112 HydrophobicContact CB-CD1 4.38Å; W109-F112 HydrophobicContact CE3-CB 3.94Å; W109-F112 HydrophobicContact CE3-CD2 4.2Å; W109-F112 HydrophobicContact CE3-CG 4.03Å; W109-F112 HydrophobicContact CZ3-CB 4.48Å; W109-F112 HydrophobicContact CZ3-CD2 4.47Å; F112-I114 HydrophobicContact CD2-CG1 3.89Å; F112-I114 HydrophobicContact CE2-CD1 3.67Å; F112-I114 HydrophobicContact CE2-CG1 3.45Å; F112-I114 VanDerWaalsContact CE2-CG1 3.45Å; F112-I114 HydrophobicContact CZ-CD1 4.07Å; F112-I114 HydrophobicContact CZ-CG1 4.29Å; F112-F127 AromaticContact CE1-CE1 3.98Å; F112-F127 HydrophobicContact CE1-CE1 3.98Å; F112-F127 HydrophobicContact CE1-CZ 4.31Å; F112-F127 HydrophobicContact CZ-CD1 4.22Å; F112-F127 AromaticContact CZ-CE1 3.48Å; F112-F127 HydrophobicContact CZ-CE1 3.48Å; F112-F127 VanDerWaalsContact CZ-CE1 3.48Å; F112-F127 AromaticContact CZ-CZ 3.91Å; F112-F127 HydrophobicContact CZ-CZ 3.91Å; F112-M134 VanDerWaalsContact CD1-O 3.29Å; F112-M134 WeakPolarHBondContact CD1-O 3.43Å; F112-M134 HydrophobicContact CE1-CB 3.98Å; F112-M134 HydrophobicContact CE1-CE 4.28Å; F112-M134 PolarHBondContact N-O 3.38Å; F112-V135 CarbonylContact O-C 3.58Å; F112-V135 WeakPolarHBondContact O-CA 3.4Å; F112-D136 PolarHBondContact O-N 2.92Å
113S98.7Very high98.1Very high10 Ų1032.8 Ų32.87%0.0718%0.175CC..EExtended strand (participates in β ladder)trans-98.9155.1171.3-550000111.3P44 V45 L46 T137P44-S113 PolarHBondContact O-N 3.06Å; V45-S113 CarbonylContact C-O 3.53Å; V45-S113 VanDerWaalsContact CA-O 3.29Å; V45-S113 WeakPolarHBondContact CA-O 3.49Å; L46-S113 PolarHBondContact N-O 2.89Å; S113-T137 CarbonylContact C-O 3.49Å; S113-T137 VanDerWaalsContact CA-O 3.3Å; S113-T137 WeakPolarHBondContact CA-O 3.48Å
114I98.9Very high98.1Very high0 Ų032.7 Ų32.70%018%0.175CC..EExtended strand (participates in β ladder)trans-123.6133.6176.1-51179.5000110.1L46 L48 F112 A124 F127 V135 T137 L138 V139L46-I114 CarbonylContact O-C 3.59Å; L46-I114 WeakPolarHBondContact O-CA 3.45Å; L48-I114 HydrophobicContact CD1-CG2 4.17Å; L48-I114 HydrophobicContact CG-CG2 4.3Å; F112-I114 HydrophobicContact CD2-CG1 3.89Å; F112-I114 HydrophobicContact CE2-CD1 3.67Å; F112-I114 HydrophobicContact CE2-CG1 3.45Å; F112-I114 VanDerWaalsContact CE2-CG1 3.45Å; F112-I114 HydrophobicContact CZ-CD1 4.07Å; F112-I114 HydrophobicContact CZ-CG1 4.29Å; I114-A124 HydrophobicContact CB-CB 4.31Å; I114-A124 HydrophobicContact CG2-CB 3.44Å; I114-A124 VanDerWaalsContact CG2-CB 3.44Å; I114-F127 HydrophobicContact CD1-CD1 3.81Å; I114-F127 HydrophobicContact CD1-CE1 4.47Å; I114-F127 HydrophobicContact CD1-CG 4.46Å; I114-V135 HydrophobicContact CD1-CG1 4.17Å; I114-V135 HydrophobicContact CD1-CG2 3.82Å; I114-V135 HydrophobicContact CG1-CG1 4.14Å; I114-V135 HydrophobicContact CG1-CG2 4.47Å; I114-T137 PolarHBondContact N-O 3.5Å; I114-L138 HydrophobicContact CB-CD1 4.17Å; I114-L138 HydrophobicContact CG2-CD1 4.49Å; I114-V139 PolarHBondContact O-N 3.15Å
115I98.9Very high98.1Very high0 Ų032.7 Ų32.70%018%0.175CC..EExtended strand (participates in β ladder)trans-113.4115.3165.8-56.2175000107.6V45 L46 C47 L48 F58 L65 Y71 V139 L141 V305 L309V45-I115 HydrophobicContact CG1-CD1 3.75Å; V45-I115 HydrophobicContact CG1-CG1 3.73Å; L46-I115 PolarHBondContact O-N 3.29Å; C47-I115 CarbonylContact C-O 3.43Å; C47-I115 VanDerWaalsContact CA-O 3.25Å; C47-I115 WeakPolarHBondContact CA-O 3.47Å; L48-I115 PolarHBondContact N-O 3.29Å; F58-I115 HydrophobicContact CE1-CG2 4.15Å; L65-I115 HydrophobicContact CD1-CD1 3.98Å; Y71-I115 HydrophobicContact CE1-CD1 4.46Å; I115-V139 CarbonylContact C-O 3.54Å; I115-V139 WeakPolarHBondContact CA-O 3.26Å; I115-V139 HydrophobicContact CB-CB 4.42Å; I115-V139 HydrophobicContact CG1-CB 4.05Å; I115-V139 HydrophobicContact CG1-CG2 4.36Å; I115-V139 HydrophobicContact CG2-CB 4.36Å; I115-V139 HydrophobicContact CG2-CG1 4.26Å; I115-L141 HydrophobicContact CG2-CD1 3.53Å; I115-L141 HydrophobicContact CG2-CG 4.06Å; I115-V305 HydrophobicContact CD1-CG1 4.03Å; I115-L309 HydrophobicContact CD1-CD1 4.39Å
116G98.8Very high98.1Very high0 Ų027.9 Ų27.90%015%0.152CC..EExtended strand (participates in β ladder)trans-120.4131.2-179.800000111.9V139 L141G116-V139 PolarHBondContact N-O 3.08Å; G116-L141 PolarHBondContact O-N 3.45Å
117H98.7Very high98.1Very high0 Ų025.1 Ų25.10%013%0.13CC..EExtended strand (participates in β ladder)trans-104134.2171.6167.4-108000110.9L48 H49 G50 D53 M119 G120 G121 L141 H291 H292 H294L48-H117 PolarHBondContact O-N 3.11Å; H49-H117 CarbonylContact C-O 3.59Å; G50-H117 PolarHBondContact N-ND1 2.93Å; D53-H117 IonicContact OD2-CE1 2.88Å; D53-H117 IonicContact OD2-ND1 2.71Å; H117-M119 PolarHBondContact O-N 3.26Å; H117-M119 VanDerWaalsContact O-N 3.11Å; H117-G120 VanDerWaalsContact O-CA 3.31Å; H117-G120 WeakPolarHBondContact O-CA 3.39Å; H117-G120 PolarHBondContact O-N 3.04Å; H117-G121 PolarHBondContact O-N 3.36Å; H117-L141 WeakPolarHBondContact CA-O 3.46Å; H117-L141 HydrophobicContact CB-CB 4.2Å; H117-L141 PolarHBondContact CD2-O 3.11Å; H117-H291 AromaticContact NE2-CE1 3.93Å; H117-H291 AromaticContact NE2-NE2 3.89Å; H117-H291 PolarHBondContact NE2-O 2.74Å; H117-H292 AromaticContact CE1-CD2 3.82Å; H117-H292 AromaticContact CE1-NE2 3.75Å; H117-H294 AromaticContact CD2-CE1 3.15Å; H117-H294 PolarHBondContact CD2-CE1 3.37Å; H117-H294 AromaticContact CD2-ND1 3.55Å; H117-H294 AromaticContact CD2-NE2 3.92Å; H117-H294 AromaticContact CE1-CE1 3.55Å; H117-H294 AromaticContact CG-CE1 3.27Å; H117-H294 AromaticContact CG-NE2 3.6Å; H117-H294 AromaticContact ND1-CE1 3.56Å; H117-H294 AromaticContact ND1-NE2 3.86Å; H117-H294 AromaticContact NE2-CE1 3.33Å; H117-H294 PolarHBondContact NE2-CE1 3.41Å; H117-H294 VanDerWaalsContact NE2-CE1 3.33Å; H117-H294 AromaticContact NE2-ND1 3.91Å
118S96.7Very high98.1Very high13 Ų1323.5 Ų23.59%0.09112%0.121CC..THydrogen-bonded Turntrans49.4-115.6172.5-171.50000113.1G120 G121 N122 L141 S143 H291S118-G120 VanDerWaalsContact C-N 3.31Å; S118-G120 PolarHBondContact O-N 3.46Å; S118-G121 WeakPolarHBondContact O-CA 3.31Å; S118-G121 PolarHBondContact O-N 2.88Å; S118-N122 PolarHBondContact O-N 3.23Å; S118-N122 VanDerWaalsContact O-N 3.09Å; S118-L141 PolarHBondContact N-O 3.4Å; S118-L141 VanDerWaalsContact N-O 3.17Å; S118-S143 WeakPolarHBondContact O-CB 3.46Å; S118-H291 VanDerWaalsContact CB-CE1 3.46Å; S118-H291 WeakPolarHBondContact CB-CE1 3.28Å; S118-H291 VanDerWaalsContact CB-NE2 3.31Å; S118-H291 WeakPolarHBondContact CB-NE2 3.46Å; S118-H291 PolarHBondContact OG-CE1 3.44Å; S118-H291 VanDerWaalsContact OG-CE1 3.29Å; S118-H291 PolarHBondContact OG-NE2 3.01Å
119M96.8Very high98.1Very high17 Ų1715.3 Ų15.38%0.0848%0.084CC..Hα-helixtrans-54.5-43.1172.8-175.3-171.570.400112.8W51 L76 F93 Y96 H117 G121 N122 I123W51-M119 HydrophobicContact CB-CB 3.96Å; W51-M119 HydrophobicContact CB-CE 4.46Å; W51-M119 HydrophobicContact CB-CG 4.42Å; W51-M119 HydrophobicContact CB-SD 3.82Å; W51-M119 HydrophobicContact CG-SD 4.35Å; L76-M119 HydrophobicContact CD1-CE 3.45Å; L76-M119 VanDerWaalsContact CD1-CE 3.45Å; F93-M119 HydrophobicContact CE1-CG 3.98Å; F93-M119 HydrophobicContact CZ-CG 4.19Å; Y96-M119 HydrophobicContact CE2-SD 4.4Å; H117-M119 PolarHBondContact O-N 3.26Å; H117-M119 VanDerWaalsContact O-N 3.11Å; M119-G121 VanDerWaalsContact C-N 3.26Å; M119-G121 PolarHBondContact O-N 3.26Å; M119-N122 WeakPolarHBondContact O-CB 3.29Å; M119-N122 PolarHBondContact O-N 2.66Å; M119-N122 VanDerWaalsContact O-N 3.12Å; M119-I123 HydrophobicContact CE-CD1 4.27Å; M119-I123 HydrophobicContact CG-CD1 4.18Å; M119-I123 WeakPolarHBondContact O-CG1 3.3Å; M119-I123 PolarHBondContact O-N 3.09Å
120G98.6Very high98.2Very high0 Ų018 Ų180%010%0.101CC..Hα-helixtrans-62.8-32.817500000112.6H49 H117 S118 I123 A124H49-G120 VanDerWaalsContact O-CA 3.27Å; H49-G120 WeakPolarHBondContact O-CA 3.49Å; H49-G120 PolarHBondContact O-N 3.16Å; H117-G120 VanDerWaalsContact O-CA 3.31Å; H117-G120 WeakPolarHBondContact O-CA 3.39Å; H117-G120 PolarHBondContact O-N 3.04Å; S118-G120 VanDerWaalsContact C-N 3.31Å; S118-G120 PolarHBondContact O-N 3.46Å; G120-I123 PolarHBondContact O-N 2.97Å; G120-A124 VanDerWaalsContact O-CB 3.26Å; G120-A124 WeakPolarHBondContact O-CB 3.32Å; G120-A124 PolarHBondContact O-N 2.89Å
121G98.3Very high98.2Very high0 Ų016.6 Ų16.60%08%0.081CC..Hα-helixtrans-63.2-43.2169.600000112.7H117 S118 M119 I123 A124 G125 L140 S143 G145H117-G121 PolarHBondContact O-N 3.36Å; S118-G121 WeakPolarHBondContact O-CA 3.31Å; S118-G121 PolarHBondContact O-N 2.88Å; M119-G121 VanDerWaalsContact C-N 3.26Å; M119-G121 PolarHBondContact O-N 3.26Å; G121-I123 PolarHBondContact O-N 2.89Å; G121-A124 WeakPolarHBondContact O-CB 3.49Å; G121-A124 PolarHBondContact O-N 3.09Å; G121-G125 PolarHBondContact O-N 3.23Å; G121-L140 WeakPolarHBondContact O-CD2 3.44Å; G121-S143 WeakPolarHBondContact CA-OG 3.34Å; G121-G145 WeakPolarHBondContact O-CA 3.44Å
122N96.8Very high98.3Very high11 Ų1112.9 Ų12.96%0.0597%0.067CC..Hα-helixtrans-64.8-38.8175.8-65.6-31.1000112.8F93 S118 M119 M126 G145 F146F93-N122 HydrophobicContact CD1-CB 4.4Å; F93-N122 HydrophobicContact CE1-CB 3.57Å; F93-N122 HydrophobicContact CZ-CB 3.93Å; S118-N122 PolarHBondContact O-N 3.23Å; S118-N122 VanDerWaalsContact O-N 3.09Å; M119-N122 WeakPolarHBondContact O-CB 3.29Å; M119-N122 PolarHBondContact O-N 2.66Å; M119-N122 VanDerWaalsContact O-N 3.12Å; N122-M126 PolarHBondContact O-N 3.4Å; N122-M126 VanDerWaalsContact O-N 3.11Å; N122-G145 VanDerWaalsContact CA-O 3.29Å; N122-G145 WeakPolarHBondContact CA-O 3.33Å; N122-F146 PolarHBondContact OD1-N 2.8Å
123I98.4Very high98.2Very high0 Ų018.3 Ų18.30%09%0.093CC..Hα-helixtrans-65-43.3173.6-63.8159.6000110L48 L76 F93 Y96 V97 V100 M119 G120 G121 M126 F127L48-I123 HydrophobicContact CD1-CB 4.16Å; L48-I123 HydrophobicContact CD1-CG2 3.86Å; L76-I123 HydrophobicContact CD1-CD1 3.55Å; L76-I123 HydrophobicContact CD2-CD1 4.37Å; F93-I123 HydrophobicContact CD1-CG1 3.68Å; F93-I123 HydrophobicContact CE1-CG1 3.88Å; Y96-I123 HydrophobicContact CD2-CD1 4.09Å; Y96-I123 HydrophobicContact CG-CD1 3.88Å; V97-I123 HydrophobicContact CG2-CG2 4.08Å; V100-I123 HydrophobicContact CG2-CG2 3.87Å; M119-I123 HydrophobicContact CE-CD1 4.27Å; M119-I123 HydrophobicContact CG-CD1 4.18Å; M119-I123 WeakPolarHBondContact O-CG1 3.3Å; M119-I123 PolarHBondContact O-N 3.09Å; G120-I123 PolarHBondContact O-N 2.97Å; G121-I123 PolarHBondContact O-N 2.89Å; I123-M126 PolarHBondContact O-N 3.11Å; I123-F127 WeakPolarHBondContact O-CB 3.37Å; I123-F127 PolarHBondContact O-N 3.3Å
124A98.7Very high98.2Very high0 Ų018.4 Ų18.40%09%0.092CC..Hα-helixtrans-62.2-44.4178.900000112.3L48 I114 G120 G121 F127 S128 L138 L140L48-A124 HydrophobicContact CD1-CB 4.14Å; I114-A124 HydrophobicContact CB-CB 4.31Å; I114-A124 HydrophobicContact CG2-CB 3.44Å; I114-A124 VanDerWaalsContact CG2-CB 3.44Å; G120-A124 VanDerWaalsContact O-CB 3.26Å; G120-A124 WeakPolarHBondContact O-CB 3.32Å; G120-A124 PolarHBondContact O-N 2.89Å; G121-A124 WeakPolarHBondContact O-CB 3.49Å; G121-A124 PolarHBondContact O-N 3.09Å; A124-F127 PolarHBondContact O-N 3.01Å; A124-S128 WeakPolarHBondContact O-CB 3.42Å; A124-S128 PolarHBondContact O-N 3.31Å; A124-S128 PolarHBondContact O-OG 2.93Å; A124-L138 HydrophobicContact CB-CD1 3.51Å; A124-L140 HydrophobicContact CB-CD2 4.49Å
125G98.3Very high98.2Very high0 Ų018.6 Ų18.60%09%0.093CC..Hα-helixtrans-60.7-48.2175.400000111.9G121 F127 S128 A129G121-G125 PolarHBondContact O-N 3.23Å; G125-F127 PolarHBondContact O-N 2.84Å; G125-S128 PolarHBondContact O-N 3.08Å; G125-A129 WeakPolarHBondContact O-CB 3.43Å; G125-A129 PolarHBondContact O-N 2.75Å
126M98.2Very high98Very high22 Ų2221.3 Ų21.311%0.10811%0.107CC..Hα-helixtrans-63.9-40.9177-173.3172.9-82.400112.6F93 V97 N122 I123 A129 L130 F146 I232 L240F93-M126 HydrophobicContact CB-SD 4.24Å; V97-M126 HydrophobicContact CG2-CB 3.95Å; V97-M126 HydrophobicContact CG2-CG 3.82Å; V97-M126 HydrophobicContact CG2-SD 3.86Å; N122-M126 PolarHBondContact O-N 3.4Å; N122-M126 VanDerWaalsContact O-N 3.11Å; I123-M126 PolarHBondContact O-N 3.11Å; M126-A129 PolarHBondContact O-N 2.87Å; M126-L130 HydrophobicContact CG-CD1 3.87Å; M126-L130 VanDerWaalsContact O-CG 3.27Å; M126-L130 WeakPolarHBondContact O-CG 3.35Å; M126-L130 PolarHBondContact O-N 2.95Å; M126-F146 HydrophobicContact CB-CE1 4.5Å; M126-I232 HydrophobicContact CE-CD1 4.39Å; M126-L240 HydrophobicContact CE-CD1 4.2Å
127F98.8Very high98Very high0 Ų021.3 Ų21.30%011%0.108CC..Hα-helixtrans-62.3-46.5175.2-174.2-81.9000111.3V97 V100 R101 F112 I114 I123 A124 G125 A129 L130 Y131 M134 V135V97-F127 HydrophobicContact CG1-CB 4.28Å; V97-F127 HydrophobicContact CG1-CD2 3.97Å; V100-F127 HydrophobicContact CB-CD2 4.04Å; V100-F127 HydrophobicContact CB-CE2 4.37Å; V100-F127 HydrophobicContact CG1-CD2 3.5Å; V100-F127 VanDerWaalsContact CG1-CD2 3.5Å; V100-F127 HydrophobicContact CG1-CE2 3.69Å; V100-F127 HydrophobicContact CG1-CG 4.03Å; V100-F127 HydrophobicContact CG1-CZ 4.35Å; R101-F127 HydrophobicContact CB-CE2 3.99Å; F112-F127 AromaticContact CE1-CE1 3.98Å; F112-F127 HydrophobicContact CE1-CE1 3.98Å; F112-F127 HydrophobicContact CE1-CZ 4.31Å; F112-F127 HydrophobicContact CZ-CD1 4.22Å; F112-F127 AromaticContact CZ-CE1 3.48Å; F112-F127 HydrophobicContact CZ-CE1 3.48Å; F112-F127 VanDerWaalsContact CZ-CE1 3.48Å; F112-F127 AromaticContact CZ-CZ 3.91Å; F112-F127 HydrophobicContact CZ-CZ 3.91Å; I114-F127 HydrophobicContact CD1-CD1 3.81Å; I114-F127 HydrophobicContact CD1-CE1 4.47Å; I114-F127 HydrophobicContact CD1-CG 4.46Å; I123-F127 WeakPolarHBondContact O-CB 3.37Å; I123-F127 PolarHBondContact O-N 3.3Å; A124-F127 PolarHBondContact O-N 3.01Å; G125-F127 PolarHBondContact O-N 2.84Å; F127-A129 PolarHBondContact O-N 3.15Å; F127-L130 PolarHBondContact O-N 3.44Å; F127-L130 VanDerWaalsContact O-N 3.13Å; F127-Y131 HydrophobicContact CD1-CD2 4.31Å; F127-Y131 AromaticContact CD2-CD2 3.76Å; F127-Y131 HydrophobicContact CD2-CD2 3.76Å; F127-Y131 HydrophobicContact CD2-CE2 4.11Å; F127-Y131 HydrophobicContact CE1-CD2 4.13Å; F127-Y131 HydrophobicContact CE1-CG 4.37Å; F127-Y131 AromaticContact CE2-CD2 3.57Å; F127-Y131 HydrophobicContact CE2-CD2 3.57Å; F127-Y131 AromaticContact CE2-CE2 3.93Å; F127-Y131 HydrophobicContact CE2-CE2 3.93Å; F127-Y131 HydrophobicContact CE2-CG 4.33Å; F127-Y131 HydrophobicContact CG-CD2 4.13Å; F127-Y131 AromaticContact CZ-CD2 3.77Å; F127-Y131 HydrophobicContact CZ-CD2 3.77Å; F127-Y131 HydrophobicContact CZ-CG 4.1Å; F127-Y131 PolarHBondContact O-N 3.08Å; F127-M134 HydrophobicContact CE1-CB 4.41Å; F127-M134 HydrophobicContact CZ-SD 4.14Å; F127-V135 HydrophobicContact CD1-CG2 3.85Å; F127-V135 HydrophobicContact CE1-CG2 3.93Å
128S98.6Very high98Very high0 Ų021.3 Ų21.30%011%0.108CC..Hα-helixtrans-65.3-27.7-178.9-51.90000112.9A124 G125 P132A124-S128 WeakPolarHBondContact O-CB 3.42Å; A124-S128 PolarHBondContact O-N 3.31Å; A124-S128 PolarHBondContact O-OG 2.93Å; G125-S128 PolarHBondContact O-N 3.08Å; S128-P132 VanDerWaalsContact O-CA 3.29Å; S128-P132 WeakPolarHBondContact O-CA 3.27Å
129A98.4Very high98.1Very high8 Ų820.7 Ų20.77%0.06610%0.103CC..Hα-helixtrans-76.9-32.3174.200000113G125 M126 F127 F146 L240 I244G125-A129 WeakPolarHBondContact O-CB 3.43Å; G125-A129 PolarHBondContact O-N 2.75Å; M126-A129 PolarHBondContact O-N 2.87Å; F127-A129 PolarHBondContact O-N 3.15Å; A129-F146 HydrophobicContact CB-CZ 4.28Å; A129-L240 HydrophobicContact CB-CB 3.95Å; A129-L240 HydrophobicContact CB-CD2 4.09Å; A129-L240 WeakPolarHBondContact CB-O 3.32Å; A129-I244 HydrophobicContact CB-CG1 3.92Å
130L98.3Very high98.2Very high90 Ų9019.9 Ų19.947%0.47110%0.099SC..Hα-helixtrans-90.2-25.3-176-67.9172.3000113.5V97 M126 F127 P132 L240V97-L130 HydrophobicContact CG1-CD1 4.12Å; M126-L130 HydrophobicContact CG-CD1 3.87Å; M126-L130 VanDerWaalsContact O-CG 3.27Å; M126-L130 WeakPolarHBondContact O-CG 3.35Å; M126-L130 PolarHBondContact O-N 2.95Å; F127-L130 PolarHBondContact O-N 3.44Å; F127-L130 VanDerWaalsContact O-N 3.13Å; L130-P132 VanDerWaalsContact C-CD 3.43Å; L130-L240 HydrophobicContact CD2-CD2 4.23Å
131Y98.5Very high98.2Very high72 Ų7220 Ų2028%0.28210%0.1SC..SBendtrans-131.457.6178.5-54.3-80.2000110.2V97 F127 E133 M134V97-Y131 HydrophobicContact CG1-CE2 4.29Å; F127-Y131 HydrophobicContact CD1-CD2 4.31Å; F127-Y131 AromaticContact CD2-CD2 3.76Å; F127-Y131 HydrophobicContact CD2-CD2 3.76Å; F127-Y131 HydrophobicContact CD2-CE2 4.11Å; F127-Y131 HydrophobicContact CE1-CD2 4.13Å; F127-Y131 HydrophobicContact CE1-CG 4.37Å; F127-Y131 AromaticContact CE2-CD2 3.57Å; F127-Y131 HydrophobicContact CE2-CD2 3.57Å; F127-Y131 AromaticContact CE2-CE2 3.93Å; F127-Y131 HydrophobicContact CE2-CE2 3.93Å; F127-Y131 HydrophobicContact CE2-CG 4.33Å; F127-Y131 HydrophobicContact CG-CD2 4.13Å; F127-Y131 AromaticContact CZ-CD2 3.77Å; F127-Y131 HydrophobicContact CZ-CD2 3.77Å; F127-Y131 HydrophobicContact CZ-CG 4.1Å; F127-Y131 PolarHBondContact O-N 3.08Å; Y131-E133 WeakPolarHBondContact CA-OE2 3.07Å; Y131-E133 PolarHBondContact O-N 3.47Å; Y131-M134 HydrophobicContact CD1-SD 4.32Å; Y131-M134 HydrophobicContact CG-SD 4.29Å; Y131-M134 PolarHBondContact O-N 3.31Å
132P98.1Very high98.1Very high27 Ų2720 Ų2018%0.17510%0.1CC..G310 helixtrans-58.8-31.1-173.625.1-34.8000113.2S128 L130 M134 V135 S243 E245S128-P132 VanDerWaalsContact O-CA 3.29Å; S128-P132 WeakPolarHBondContact O-CA 3.27Å; L130-P132 VanDerWaalsContact C-CD 3.43Å; P132-M134 PolarHBondContact O-N 2.87Å; P132-V135 PolarHBondContact O-N 3.25Å; P132-S243 WeakPolarHBondContact CB-O 3.21Å; P132-E245 HydrophobicContact CB-CB 3.99Å; P132-E245 HydrophobicContact CB-CG 3.79Å
133E97.8Very high98Very high115 Ų11519.5 Ų19.554%0.53710%0.097SC..G310 helixtrans-65-22.517974.3-73.6178.200113.4Y131Y131-E133 WeakPolarHBondContact CA-OE2 3.07Å; Y131-E133 PolarHBondContact O-N 3.47Å
134M98.5Very high97.8Very high12 Ų1219.5 Ų19.56%0.05910%0.097CC..G310 helixtrans-91.8-15-175.6-58.6-171.176.100113.5V104 W109 S110 K111 F112 F127 Y131 P132V104-M134 HydrophobicContact CG1-CE 3.48Å; V104-M134 VanDerWaalsContact CG1-CE 3.48Å; W109-M134 WeakPolarHBondContact O-CE 3.47Å; S110-M134 WeakPolarHBondContact O-CA 3.45Å; K111-M134 CarbonylContact C-O 3.55Å; K111-M134 VanDerWaalsContact CA-O 3.29Å; K111-M134 WeakPolarHBondContact CA-O 3.32Å; F112-M134 VanDerWaalsContact CD1-O 3.29Å; F112-M134 WeakPolarHBondContact CD1-O 3.43Å; F112-M134 HydrophobicContact CE1-CB 3.98Å; F112-M134 HydrophobicContact CE1-CE 4.28Å; F112-M134 PolarHBondContact N-O 3.38Å; F127-M134 HydrophobicContact CE1-CB 4.41Å; F127-M134 HydrophobicContact CZ-SD 4.14Å; Y131-M134 HydrophobicContact CD1-SD 4.32Å; Y131-M134 HydrophobicContact CG-SD 4.29Å; Y131-M134 PolarHBondContact O-N 3.31Å; P132-M134 PolarHBondContact O-N 2.87Å
135V98.4Very high97.6Very high4 Ų419.5 Ų19.52%0.02410%0.097CC..EExtended strand (participates in β ladder)trans-113113-170.1-171.90000111.4F112 I114 F127 P132 A246F112-V135 CarbonylContact O-C 3.58Å; F112-V135 WeakPolarHBondContact O-CA 3.4Å; I114-V135 HydrophobicContact CD1-CG1 4.17Å; I114-V135 HydrophobicContact CD1-CG2 3.82Å; I114-V135 HydrophobicContact CG1-CG1 4.14Å; I114-V135 HydrophobicContact CG1-CG2 4.47Å; F127-V135 HydrophobicContact CD1-CG2 3.85Å; F127-V135 HydrophobicContact CE1-CG2 3.93Å; P132-V135 PolarHBondContact O-N 3.25Å; V135-A246 HydrophobicContact CB-CB 4.09Å; V135-A246 HydrophobicContact CG1-CB 3.72Å; V135-A246 VanDerWaalsContact O-CB 3.31Å; V135-A246 WeakPolarHBondContact O-CB 3.39Å
136D95.4Very high97.4Very high56 Ų5619.7 Ų19.730%0.29910%0.098SC..EExtended strand (participates in β ladder)trans-75.6-42.3175.9-79.5-47.2000112.1K111 F112 S247K111-D136 WeakPolarHBondContact CD-OD1 3.49Å; K111-D136 WeakPolarHBondContact CE-OD1 3.32Å; K111-D136 WeakPolarHBondContact CG-OD2 3.32Å; K111-D136 IonicContact NZ-OD1 3.77Å; K111-D136 PolarHBondContact NZ-OD1 2.87Å; F112-D136 PolarHBondContact O-N 2.92Å; D136-S247 PolarHBondContact O-N 3.47Å
137T97.6Very high97Very high1 Ų120.4 Ų20.41%0.00610%0.102CC..EExtended strand (participates in β ladder)trans-149133.2-168.7-69.90000109.9S113 I114 V139 S247 F308 L309S113-T137 CarbonylContact C-O 3.49Å; S113-T137 VanDerWaalsContact CA-O 3.3Å; S113-T137 WeakPolarHBondContact CA-O 3.48Å; I114-T137 PolarHBondContact N-O 3.5Å; T137-V139 HydrophobicContact CG2-CG2 4.11Å; T137-S247 WeakPolarHBondContact CA-O 3.5Å; T137-F308 HydrophobicContact CG2-CD1 3.54Å; T137-F308 HydrophobicContact CG2-CE1 3.48Å; T137-F308 VanDerWaalsContact CG2-CE1 3.48Å; T137-L309 HydrophobicContact CG2-CD2 4.02Å
138L98.6Very high96.7Very high0 Ų020.4 Ų20.40%010%0.102CC..EExtended strand (participates in β ladder)trans-118.4115177.1175.661.6000109.6I114 A124 L140 I244 A246 S247 V248 L249I114-L138 HydrophobicContact CB-CD1 4.17Å; I114-L138 HydrophobicContact CG2-CD1 4.49Å; A124-L138 HydrophobicContact CB-CD1 3.51Å; L138-L140 HydrophobicContact CD1-CD2 3.83Å; L138-L140 HydrophobicContact CD1-CG 4.33Å; L138-L140 HydrophobicContact CD2-CD1 4.33Å; L138-L140 HydrophobicContact CD2-CD2 4.29Å; L138-L140 HydrophobicContact CD2-CG 4.31Å; L138-L140 HydrophobicContact CG-CD2 4.06Å; L138-L140 HydrophobicContact CG-CG 4.04Å; L138-I244 HydrophobicContact CD2-CD1 4.23Å; L138-A246 HydrophobicContact CB-CB 4.25Å; L138-S247 PolarHBondContact N-O 3.32Å; L138-V248 HydrophobicContact CB-CG1 4.2Å; L138-V248 HydrophobicContact CB-CG2 4.29Å; L138-V248 HydrophobicContact CD2-CG1 4.05Å; L138-V248 HydrophobicContact CD2-CG2 4.32Å; L138-V248 HydrophobicContact CG-CG1 4.06Å; L138-V248 CarbonylContact O-C 3.56Å; L138-V248 VanDerWaalsContact O-CA 3.28Å; L138-V248 WeakPolarHBondContact O-CA 3.46Å; L138-V248 WeakPolarHBondContact O-CG1 3.5Å; L138-L249 PolarHBondContact O-N 3.33Å
139V98.8Very high96.3Very high0 Ų020.7 Ų20.70%010%0.104CC..EExtended strand (participates in β ladder)trans-106.3120.5173.5179.50000108.5I114 I115 G116 T137 L141 L249 V305 F308I114-V139 PolarHBondContact O-N 3.15Å; I115-V139 CarbonylContact C-O 3.54Å; I115-V139 WeakPolarHBondContact CA-O 3.26Å; I115-V139 HydrophobicContact CB-CB 4.42Å; I115-V139 HydrophobicContact CG1-CB 4.05Å; I115-V139 HydrophobicContact CG1-CG2 4.36Å; I115-V139 HydrophobicContact CG2-CB 4.36Å; I115-V139 HydrophobicContact CG2-CG1 4.26Å; G116-V139 PolarHBondContact N-O 3.08Å; T137-V139 HydrophobicContact CG2-CG2 4.11Å; V139-L141 HydrophobicContact CG1-CD2 4.03Å; V139-L141 HydrophobicContact CG1-CG 4.34Å; V139-L249 CarbonylContact C-O 3.57Å; V139-L249 WeakPolarHBondContact CA-O 3.48Å; V139-L249 HydrophobicContact CG1-CD2 4.3Å; V139-L249 HydrophobicContact CG2-CB 4.44Å; V139-V305 HydrophobicContact CG1-CG1 4.48Å; V139-V305 HydrophobicContact CG1-CG2 3.92Å; V139-F308 HydrophobicContact CG2-CD1 4.04Å
140L98.7Very high96Very high0 Ų021.9 Ų21.90%011%0.109CC..EExtended strand (participates in β ladder)trans-108.4112.8179-63.5177.1000109.1G121 A124 L138 V248 L249 L250 V251G121-L140 WeakPolarHBondContact O-CD2 3.44Å; A124-L140 HydrophobicContact CB-CD2 4.49Å; L138-L140 HydrophobicContact CD1-CD2 3.83Å; L138-L140 HydrophobicContact CD1-CG 4.33Å; L138-L140 HydrophobicContact CD2-CD1 4.33Å; L138-L140 HydrophobicContact CD2-CD2 4.29Å; L138-L140 HydrophobicContact CD2-CG 4.31Å; L138-L140 HydrophobicContact CG-CD2 4.06Å; L138-L140 HydrophobicContact CG-CG 4.04Å; L140-V248 HydrophobicContact CD1-CG1 4.16Å; L140-V248 HydrophobicContact CG-CG1 4.48Å; L140-L249 PolarHBondContact N-O 2.97Å; L140-L250 HydrophobicContact CB-CG 4.17Å; L140-L250 HydrophobicContact CD1-CD1 4.06Å; L140-L250 HydrophobicContact CD1-CD2 4.4Å; L140-L250 HydrophobicContact CD1-CG 3.89Å; L140-V251 PolarHBondContact O-N 2.76Å
141L98.6Very high95.7Very high1 Ų121.1 Ų21.11%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-95.7110.9177.5-58.3173.8000108.6F58 L61 I115 G116 H117 S118 V139 S143 V251 H294 V305F58-L141 HydrophobicContact CE1-CD1 4.32Å; L61-L141 HydrophobicContact CD2-CD1 3.87Å; I115-L141 HydrophobicContact CG2-CD1 3.53Å; I115-L141 HydrophobicContact CG2-CG 4.06Å; G116-L141 PolarHBondContact O-N 3.45Å; H117-L141 WeakPolarHBondContact CA-O 3.46Å; H117-L141 HydrophobicContact CB-CB 4.2Å; H117-L141 PolarHBondContact CD2-O 3.11Å; S118-L141 PolarHBondContact N-O 3.4Å; S118-L141 VanDerWaalsContact N-O 3.17Å; V139-L141 HydrophobicContact CG1-CD2 4.03Å; V139-L141 HydrophobicContact CG1-CG 4.34Å; L141-S143 PolarHBondContact O-N 3.45Å; L141-S143 PolarHBondContact O-OG 3.18Å; L141-V251 HydrophobicContact CD2-CB 4.21Å; L141-V251 HydrophobicContact CD2-CG2 4.3Å; L141-H294 HydrophobicContact CD1-CB 3.79Å; L141-V305 HydrophobicContact CD2-CG2 4.22Å
142D97Very high95.4Very high1 Ų125.8 Ų25.81%0.00513%0.132CC..SBendtrans44.649-178.9-153.850.3000113.5V251 A253 G256 F257 H291D142-V251 VanDerWaalsContact CA-O 3.32Å; D142-V251 WeakPolarHBondContact CA-O 3.4Å; D142-V251 PolarHBondContact N-O 2.89Å; D142-A253 PolarHBondContact OD1-N 2.82Å; D142-G256 WeakPolarHBondContact OD2-CA 3.42Å; D142-F257 WeakPolarHBondContact OD2-CB 3.4Å; D142-F257 PolarHBondContact OD2-N 3.17Å; D142-H291 PolarHBondContact O-CE1 3.16Å; D142-H291 VanDerWaalsContact OD2-CA 3.29Å; D142-H291 WeakPolarHBondContact OD2-CA 3.47Å; D142-H291 IonicContact OD2-CE1 3.91Å; D142-H291 IonicContact OD2-CG 2.74Å; D142-H291 IonicContact OD2-ND1 3.82Å; D142-H291 PolarHBondContact OD2-ND1 2.88Å
143S95.3Very high95Very high0 Ų028.2 Ų28.20%014%0.141CC..  trans-152.7161.8-179.159.70000110.5S118 G121 L141S118-S143 WeakPolarHBondContact O-CB 3.46Å; G121-S143 WeakPolarHBondContact CA-OG 3.34Å; L141-S143 PolarHBondContact O-N 3.45Å; L141-S143 PolarHBondContact O-OG 3.18Å
144Y94.2Very high94.8Very high1 Ų124.2 Ų24.20%0.00412%0.122CC..  trans-111.75.4-176.2-55.1-79000112.9F146 L250 L252 F257 E258 I270 L274 Y277Y144-F146 PolarHBondContact O-N 3.12Å; Y144-L250 HydrophobicContact CD1-CD2 4.26Å; Y144-L252 HydrophobicContact CD1-CD2 4.21Å; Y144-L252 HydrophobicContact CE1-CD1 3.96Å; Y144-L252 HydrophobicContact CE1-CD2 3.64Å; Y144-L252 HydrophobicContact CE1-CG 4.48Å; Y144-F257 AromaticContact CD2-CD1 3.97Å; Y144-F257 HydrophobicContact CD2-CD1 3.97Å; Y144-F257 HydrophobicContact CD2-CE1 4.27Å; Y144-F257 AromaticContact CE2-CD1 3.71Å; Y144-F257 HydrophobicContact CE2-CD1 3.71Å; Y144-F257 HydrophobicContact CE2-CE1 4.36Å; Y144-E258 WeakPolarHBondContact OH-CB 3.42Å; Y144-I270 HydrophobicContact CD1-CG2 4.01Å; Y144-I270 HydrophobicContact CD2-CD1 3.68Å; Y144-I270 HydrophobicContact CD2-CG1 4.42Å; Y144-I270 HydrophobicContact CD2-CG2 3.97Å; Y144-I270 HydrophobicContact CE1-CG2 3.6Å; Y144-I270 HydrophobicContact CE2-CD1 4.07Å; Y144-I270 HydrophobicContact CE2-CG1 4.32Å; Y144-I270 HydrophobicContact CE2-CG2 3.51Å; Y144-I270 HydrophobicContact CG-CD1 4.18Å; Y144-I270 HydrophobicContact CG-CG2 4.18Å; Y144-L274 HydrophobicContact CD1-CD1 4.36Å; Y144-L274 HydrophobicContact CD1-CD2 3.63Å; Y144-L274 HydrophobicContact CD1-CG 3.76Å; Y144-L274 HydrophobicContact CE1-CD1 3.71Å; Y144-L274 HydrophobicContact CE1-CD2 3.59Å; Y144-L274 HydrophobicContact CE1-CG 3.62Å; Y144-Y277 WeakPolarHBondContact O-CE2 3.24Å; Y144-Y277 PolarHBondContact O-OH 2.76Å
145G94.3Very high94.5Very high0 Ų027.9 Ų27.90%015%0.147CC..SBendtrans73.1-20.8-175.500000114.5G121 N122G121-G145 WeakPolarHBondContact O-CA 3.44Å; N122-G145 VanDerWaalsContact CA-O 3.29Å; N122-G145 WeakPolarHBondContact CA-O 3.33Å
146F93.1Very high94.3Very high4 Ų434.1 Ų34.12%0.01817%0.17CC..  trans-143.8145.3177.1-54.6-78.7000110.2N122 M126 A129 Y144 I232 L240 L241 I244N122-F146 PolarHBondContact OD1-N 2.8Å; M126-F146 HydrophobicContact CB-CE1 4.5Å; A129-F146 HydrophobicContact CB-CZ 4.28Å; Y144-F146 PolarHBondContact O-N 3.12Å; F146-I232 HydrophobicContact CB-CD1 4.49Å; F146-I232 HydrophobicContact CD1-CD1 4.03Å; F146-L240 HydrophobicContact CD1-CB 4.31Å; F146-L240 HydrophobicContact CD1-CD1 4.31Å; F146-L240 HydrophobicContact CE1-CB 3.51Å; F146-L240 HydrophobicContact CE1-CD1 3.92Å; F146-L240 HydrophobicContact CE1-CG 4.36Å; F146-L240 HydrophobicContact CZ-CB 3.73Å; F146-L241 HydrophobicContact CD2-CB 4.15Å; F146-L241 HydrophobicContact CD2-CD1 4.39Å; F146-L241 HydrophobicContact CE2-CB 3.69Å; F146-L241 HydrophobicContact CE2-CD1 4.46Å; F146-L241 HydrophobicContact CE2-CG 4.22Å; F146-L241 HydrophobicContact CZ-CB 4.45Å; F146-I244 HydrophobicContact CE2-CD1 3.87Å; F146-I244 HydrophobicContact CZ-CD1 3.97Å
147L90.2Very high94.1Very high36 Ų3631.9 Ų31.919%0.18816%0.158CC..  trans-12584.8175.1-17263.8000109.9F257 F261 I270L147-F257 HydrophobicContact CD1-CE1 4.3Å; L147-F257 HydrophobicContact CD1-CZ 4.44Å; L147-F257 HydrophobicContact CD2-CZ 4.46Å; L147-F261 HydrophobicContact CD1-CE1 4.31Å; L147-F261 HydrophobicContact CD1-CE2 4.36Å; L147-F261 HydrophobicContact CD1-CZ 3.84Å; L147-I270 HydrophobicContact CD1-CD1 4.09Å
148P92.3Very high93.9Very high1 Ų134.9 Ų34.91%0.00617%0.174CC..  trans-62.2148.8-178.924.8-34.9000112.4I232 L234 Y269 V273P148-I232 WeakPolarHBondContact CA-O 3.44Å; P148-L234 HydrophobicContact CB-CB 4.14Å; P148-L234 HydrophobicContact CB-CD1 4.38Å; P148-L234 HydrophobicContact CG-CD1 4.22Å; P148-Y269 HydrophobicContact CB-CD2 4.22Å; P148-Y269 HydrophobicContact CB-CG 4.49Å; P148-Y269 VanDerWaalsContact CG-CB 3.48Å; P148-Y269 HydrophobicContact CG-CD2 4.31Å; P148-Y269 HydrophobicContact CG-CG 4.28Å; P148-V273 HydrophobicContact CG-CG2 4.24Å
149T90.6Very high93.7Very high6 Ų643.1 Ų43.14%0.03721%0.205CC..  trans-121.5141.4176.8-560000109.1P151 E153 M154 R231 I232T149-P151 WeakPolarHBondContact O-CD 3.39Å; T149-E153 HydrophobicContact CG2-CB 4.39Å; T149-M154 HydrophobicContact CG2-CG 4.06Å; T149-M154 WeakPolarHBondContact O-CE 3.36Å; T149-R231 HydrophobicContact CG2-CB 4.48Å; T149-R231 HydrophobicContact CG2-CG 4.44Å; T149-R231 WeakPolarHBondContact OG1-CD 3.39Å; T149-R231 PolarHBondContact OG1-NH1 3.1Å; T149-I232 PolarHBondContact N-O 3.49Å
150D91.5Very high93.5Very high32 Ų3246.1 Ų46.117%0.17122%0.219CC..  trans-61.4125174-175.3-23.9000108.3K152 E153 M154 Y269D150-K152 PolarHBondContact O-N 3.38Å; D150-K152 VanDerWaalsContact O-N 3.09Å; D150-K152 WeakPolarHBondContact OD1-CB 3.25Å; D150-K152 WeakPolarHBondContact OD1-CG 3.41Å; D150-K152 PolarHBondContact OD1-N 3.2Å; D150-E153 HydrophobicContact CB-CB 4.39Å; D150-E153 HydrophobicContact CB-CG 4.23Å; D150-E153 PolarHBondContact O-N 2.72Å; D150-M154 PolarHBondContact O-N 3.26Å; D150-Y269 HydrophobicContact CB-CE2 3.94Å; D150-Y269 WeakPolarHBondContact CB-OH 3.32Å
151P92.3Very high93.2Very high75 Ų7546.2 Ų46.249%0.48722%0.22SC..THydrogen-bonded Turntrans-49.1-31.9173.9-29.436.7000114.3T149 E153 M154 P155T149-P151 WeakPolarHBondContact O-CD 3.39Å; P151-E153 VanDerWaalsContact C-N 3.32Å; P151-E153 PolarHBondContact O-N 2.81Å; P151-M154 PolarHBondContact O-N 2.83Å; P151-P155 WeakPolarHBondContact O-CD 3.41Å
152K92.5Very high93Very high170 Ų17050.3 Ų50.374%0.73924%0.241SC*.THydrogen-bonded Turntrans-66.2-33176.8-63.3172.7-175.91690112.8D150D150-K152 PolarHBondContact O-N 3.38Å; D150-K152 VanDerWaalsContact O-N 3.09Å; D150-K152 WeakPolarHBondContact OD1-CB 3.25Å; D150-K152 WeakPolarHBondContact OD1-CG 3.41Å; D150-K152 PolarHBondContact OD1-N 3.2Å
153E90Very high92.9Very high78 Ų7853.6 Ų53.636%0.36426%0.259SS..THydrogen-bonded Turntrans-83.5-19.7179.2-70.5-60109.300112.7T149 D150 P151 R156 V157T149-E153 HydrophobicContact CG2-CB 4.39Å; D150-E153 HydrophobicContact CB-CB 4.39Å; D150-E153 HydrophobicContact CB-CG 4.23Å; D150-E153 PolarHBondContact O-N 2.72Å; P151-E153 VanDerWaalsContact C-N 3.32Å; P151-E153 PolarHBondContact O-N 2.81Å; E153-R156 PolarHBondContact O-N 3.17Å; E153-R156 IonicContact OE2-CZ 3.27Å; E153-R156 VanDerWaalsContact OE2-CZ 3.25Å; E153-R156 IonicContact OE2-NE 3.09Å; E153-R156 PolarHBondContact OE2-NE 3.41Å; E153-R156 IonicContact OE2-NH2 2.66Å; E153-R156 PolarHBondContact OE2-NH2 2.71Å; E153-V157 WeakPolarHBondContact O-CG2 3.22Å; E153-V157 PolarHBondContact O-N 2.56Å
154M92.1Very high92.8Very high31 Ų3156.4 Ų56.415%0.15327%0.272CS..Hα-helixtrans-55.5-52.1-174.4-72.4-176.6-173.700113.2T149 D150 P151 R156 V157 L158 R231 I232 S233T149-M154 HydrophobicContact CG2-CG 4.06Å; T149-M154 WeakPolarHBondContact O-CE 3.36Å; D150-M154 PolarHBondContact O-N 3.26Å; P151-M154 PolarHBondContact O-N 2.83Å; M154-R156 PolarHBondContact O-N 2.84Å; M154-V157 PolarHBondContact O-N 3.19Å; M154-L158 HydrophobicContact CB-CD1 4.09Å; M154-L158 VanDerWaalsContact O-CB 3.25Å; M154-L158 WeakPolarHBondContact O-CB 3.42Å; M154-L158 VanDerWaalsContact O-CD1 3.29Å; M154-L158 WeakPolarHBondContact O-CD1 3.31Å; M154-L158 WeakPolarHBondContact O-CG 3.33Å; M154-L158 PolarHBondContact O-N 2.95Å; M154-R231 HydrophobicContact CG-CB 4.44Å; M154-I232 VanDerWaalsContact CE-C 3.42Å; M154-S233 VanDerWaalsContact CE-N 3.29Å
155P94.1Very high92.8Very high88 Ų8856.9 Ų56.957%0.57127%0.274SS*.Hα-helixtrans-56.5-40-178.9-25.435.1000112.7P151 R159P151-P155 WeakPolarHBondContact O-CD 3.41Å; P155-R159 VanDerWaalsContact O-CB 3.27Å; P155-R159 WeakPolarHBondContact O-CB 3.27Å; P155-R159 PolarHBondContact O-N 2.79Å
156R93.6Very high92.7Very high135 Ų13560.6 Ų60.651%0.50929%0.293SS..Hα-helixtrans-66.5-48.9179.1-170.5-173.167.874-2.2111.5E153 M154 Q160E153-R156 PolarHBondContact O-N 3.17Å; E153-R156 IonicContact OE2-CZ 3.27Å; E153-R156 VanDerWaalsContact OE2-CZ 3.25Å; E153-R156 IonicContact OE2-NE 3.09Å; E153-R156 PolarHBondContact OE2-NE 3.41Å; E153-R156 IonicContact OE2-NH2 2.66Å; E153-R156 PolarHBondContact OE2-NH2 2.71Å; M154-R156 PolarHBondContact O-N 2.84Å; R156-Q160 VanDerWaalsContact O-CB 3.31Å; R156-Q160 WeakPolarHBondContact O-CB 3.47Å; R156-Q160 PolarHBondContact O-N 2.75Å
157V90.9Very high92.7Very high10 Ų1064.8 Ų64.86%0.06131%0.313CS..Hα-helixtrans-67-41.7-178.6173.10000111.6E153 M154 Q160 G161 R231E153-V157 WeakPolarHBondContact O-CG2 3.22Å; E153-V157 PolarHBondContact O-N 2.56Å; M154-V157 PolarHBondContact O-N 3.19Å; V157-Q160 PolarHBondContact O-N 3.1Å; V157-G161 PolarHBondContact O-N 2.65Å; V157-R231 HydrophobicContact CG1-CG 4.23Å
158L93.7Very high92.8Very high63 Ų6364.8 Ų64.833%0.3331%0.311SS..Hα-helixtrans-60.4-53.9177-73.1162.3000110.9M154 Q160 G161 L162 V229M154-L158 HydrophobicContact CB-CD1 4.09Å; M154-L158 VanDerWaalsContact O-CB 3.25Å; M154-L158 WeakPolarHBondContact O-CB 3.42Å; M154-L158 VanDerWaalsContact O-CD1 3.29Å; M154-L158 WeakPolarHBondContact O-CD1 3.31Å; M154-L158 WeakPolarHBondContact O-CG 3.33Å; M154-L158 PolarHBondContact O-N 2.95Å; L158-Q160 VanDerWaalsContact C-N 3.31Å; L158-Q160 PolarHBondContact O-N 3.23Å; L158-G161 PolarHBondContact O-N 2.98Å; L158-L162 WeakPolarHBondContact O-CG 3.41Å; L158-L162 PolarHBondContact O-N 2.68Å; L158-V229 HydrophobicContact CD2-CB 4.15Å; L158-V229 WeakPolarHBondContact CD2-O 3.27Å
159R95Very high92.7Very high173 Ų17368.3 Ų68.365%0.65333%0.328SS*.Hα-helixtrans-57.1-46.2177.3178.7-179.9173.5-174.83111.3P155 G161 L162 D163P155-R159 VanDerWaalsContact O-CB 3.27Å; P155-R159 WeakPolarHBondContact O-CB 3.27Å; P155-R159 PolarHBondContact O-N 2.79Å; R159-G161 VanDerWaalsContact C-N 3.34Å; R159-G161 PolarHBondContact O-N 3.39Å; R159-L162 PolarHBondContact O-N 2.93Å; R159-D163 WeakPolarHBondContact CG-OD2 3.22Å; R159-D163 IonicContact NE-OD2 2.74Å; R159-D163 PolarHBondContact NE-OD2 2.97Å; R159-D163 WeakPolarHBondContact O-CB 3.43Å; R159-D163 PolarHBondContact O-N 2.62Å
160Q93.7Very high92.6Very high64 Ų6474 Ų7430%0.29935%0.352SS..Hα-helixtrans-56.8-46.8178.6180177.6-3.200111.7R156 V157 L158 D163 E164 K227R156-Q160 VanDerWaalsContact O-CB 3.31Å; R156-Q160 WeakPolarHBondContact O-CB 3.47Å; R156-Q160 PolarHBondContact O-N 2.75Å; V157-Q160 PolarHBondContact O-N 3.1Å; L158-Q160 VanDerWaalsContact C-N 3.31Å; L158-Q160 PolarHBondContact O-N 3.23Å; Q160-D163 PolarHBondContact O-N 3.2Å; Q160-E164 HydrophobicContact CG-CG 4.3Å; Q160-E164 VanDerWaalsContact CG-OE1 3.31Å; Q160-E164 WeakPolarHBondContact CG-OE1 2.99Å; Q160-E164 PolarHBondContact NE2-OE1 2.93Å; Q160-E164 VanDerWaalsContact O-CB 3.24Å; Q160-E164 WeakPolarHBondContact O-CB 3.05Å; Q160-E164 VanDerWaalsContact O-CG 3.23Å; Q160-E164 WeakPolarHBondContact O-CG 3.47Å; Q160-E164 PolarHBondContact O-N 3.33Å; Q160-K227 HydrophobicContact CG-CG 4.09Å
161G92.9Very high92.3Very high1 Ų178.9 Ų78.91%0.0137%0.372CS..Hα-helixtrans-65.3-39.3179.200000113.8V157 L158 R159 M165 K227V157-G161 PolarHBondContact O-N 2.65Å; L158-G161 PolarHBondContact O-N 2.98Å; R159-G161 VanDerWaalsContact C-N 3.34Å; R159-G161 PolarHBondContact O-N 3.39Å; G161-M165 PolarHBondContact O-N 2.95Å; G161-M165 VanDerWaalsContact O-N 3.1Å; G161-K227 WeakPolarHBondContact CA-O 3.38Å
162L94.5Very high91.5Very high87 Ų8778.9 Ų78.946%0.45537%0.366SS..Hα-helixtrans-64.9-48.1175.4-64.6173.8000111.5L90 L158 R159 E164 M165 I166 V229L90-L162 HydrophobicContact CD1-CD2 4.27Å; L158-L162 WeakPolarHBondContact O-CG 3.41Å; L158-L162 PolarHBondContact O-N 2.68Å; R159-L162 PolarHBondContact O-N 2.93Å; L162-E164 PolarHBondContact O-N 2.93Å; L162-M165 PolarHBondContact O-N 2.86Å; L162-I166 WeakPolarHBondContact O-CG1 3.39Å; L162-I166 PolarHBondContact O-N 2.8Å; L162-I166 VanDerWaalsContact O-N 3.16Å; L162-V229 HydrophobicContact CD2-CG1 4.17Å; L162-V229 HydrophobicContact CG-CG1 4.21Å
163D95Very high90.1Very high71 Ų7179.2 Ų79.238%0.3837%0.37SS..Hα-helixtrans-63.4-42.2178.4-72.8-18000110.8R159 Q160 M165 I166 Q167R159-D163 WeakPolarHBondContact CG-OD2 3.22Å; R159-D163 IonicContact NE-OD2 2.74Å; R159-D163 PolarHBondContact NE-OD2 2.97Å; R159-D163 WeakPolarHBondContact O-CB 3.43Å; R159-D163 PolarHBondContact O-N 2.62Å; Q160-D163 PolarHBondContact O-N 3.2Å; D163-M165 VanDerWaalsContact C-N 3.34Å; D163-M165 PolarHBondContact O-N 3.32Å; D163-I166 PolarHBondContact O-N 3.17Å; D163-Q167 WeakPolarHBondContact O-CB 3.36Å; D163-Q167 WeakPolarHBondContact O-CG 3.1Å; D163-Q167 PolarHBondContact O-N 3.28Å
164E93.5Very high88.7Confident58 Ų5882.5 Ų82.527%0.27139%0.39SS..Hα-helixtrans-59.3-41.1176.2-82.6177.8-168.900112.6Q160 L162 Q167 F168 L226 K227Q160-E164 HydrophobicContact CG-CG 4.3Å; Q160-E164 VanDerWaalsContact CG-OE1 3.31Å; Q160-E164 WeakPolarHBondContact CG-OE1 2.99Å; Q160-E164 PolarHBondContact NE2-OE1 2.93Å; Q160-E164 VanDerWaalsContact O-CB 3.24Å; Q160-E164 WeakPolarHBondContact O-CB 3.05Å; Q160-E164 VanDerWaalsContact O-CG 3.23Å; Q160-E164 WeakPolarHBondContact O-CG 3.47Å; Q160-E164 PolarHBondContact O-N 3.33Å; L162-E164 PolarHBondContact O-N 2.93Å; E164-Q167 PolarHBondContact O-N 3.35Å; E164-F168 VanDerWaalsContact O-CB 3.23Å; E164-F168 WeakPolarHBondContact O-CB 3.47Å; E164-F168 PolarHBondContact O-N 2.93Å; E164-L226 HydrophobicContact CB-CD2 4.24Å; E164-K227 WeakPolarHBondContact OE2-CG 3.49Å; E164-K227 PolarHBondContact OE2-N 3.35Å
165M92.9Very high87.5Confident11 Ų1186.6 Ų86.65%0.05441%0.408CS..Hα-helixtrans-63.4-50.3176-175.271179.100111.5L90 G161 L162 D163 Q167 F168 E169 R223 L226L90-M165 HydrophobicContact CD2-CB 3.89Å; L90-M165 HydrophobicContact CD2-CG 3.64Å; L90-M165 HydrophobicContact CD2-SD 3.89Å; G161-M165 PolarHBondContact O-N 2.95Å; G161-M165 VanDerWaalsContact O-N 3.1Å; L162-M165 PolarHBondContact O-N 2.86Å; D163-M165 VanDerWaalsContact C-N 3.34Å; D163-M165 PolarHBondContact O-N 3.32Å; M165-Q167 VanDerWaalsContact C-N 3.26Å; M165-Q167 PolarHBondContact O-N 3.02Å; M165-F168 WeakPolarHBondContact O-CB 3.47Å; M165-F168 PolarHBondContact O-N 2.95Å; M165-F168 VanDerWaalsContact O-N 3.09Å; M165-E169 HydrophobicContact CE-CG 4.23Å; M165-E169 WeakPolarHBondContact CE-OE1 3.35Å; M165-E169 WeakPolarHBondContact O-CG 3.27Å; M165-E169 PolarHBondContact O-N 3.47Å; M165-R223 HydrophobicContact SD-CG 4.27Å; M165-L226 HydrophobicContact CB-CD1 4.21Å; M165-L226 HydrophobicContact SD-CD1 3.54Å; M165-L226 VanDerWaalsContact SD-CD1 3.54Å
166I93.3Very high86.3Confident79 Ų7991.7 Ų91.741%0.40542%0.421SS..Hα-helixtrans-58.9-41.7178.7-66.7167.8000110.6L162 D163 K170L162-I166 WeakPolarHBondContact O-CG1 3.39Å; L162-I166 PolarHBondContact O-N 2.8Å; L162-I166 VanDerWaalsContact O-N 3.16Å; D163-I166 PolarHBondContact O-N 3.17Å; I166-K170 HydrophobicContact CG2-CD 4.41Å; I166-K170 WeakPolarHBondContact O-CG 3.25Å; I166-K170 PolarHBondContact O-N 3.04Å
167Q92.8Very high85.6Confident91 Ų9190.3 Ų90.343%0.42543%0.428SS..Hα-helixtrans-70.5-34.1177.8-67.3-62.2-25.100112.6D163 E164 M165 K171D163-Q167 WeakPolarHBondContact O-CB 3.36Å; D163-Q167 WeakPolarHBondContact O-CG 3.1Å; D163-Q167 PolarHBondContact O-N 3.28Å; E164-Q167 PolarHBondContact O-N 3.35Å; M165-Q167 VanDerWaalsContact C-N 3.26Å; M165-Q167 PolarHBondContact O-N 3.02Å; Q167-K171 VanDerWaalsContact O-CG 3.28Å; Q167-K171 WeakPolarHBondContact O-CG 2.85Å; Q167-K171 PolarHBondContact O-N 3Å
168F90.8Very high85.4Confident36 Ų3697.4 Ų97.416%0.15845%0.453CS..Hα-helixtrans-64.1-47174.6177.1-91.7000110.8E164 M165 K170 K171 M172 F222 R223 L226E164-F168 VanDerWaalsContact O-CB 3.23Å; E164-F168 WeakPolarHBondContact O-CB 3.47Å; E164-F168 PolarHBondContact O-N 2.93Å; M165-F168 WeakPolarHBondContact O-CB 3.47Å; M165-F168 PolarHBondContact O-N 2.95Å; M165-F168 VanDerWaalsContact O-N 3.09Å; F168-K170 PolarHBondContact O-N 3.38Å; F168-K171 PolarHBondContact O-N 3.12Å; F168-K171 VanDerWaalsContact O-N 3.14Å; F168-M172 HydrophobicContact CD1-CG 3.9Å; F168-M172 HydrophobicContact CE1-CG 3.4Å; F168-M172 VanDerWaalsContact CE1-CG 3.4Å; F168-M172 HydrophobicContact CE1-SD 3.96Å; F168-M172 HydrophobicContact CE2-CE 3.96Å; F168-M172 HydrophobicContact CE2-CG 4.17Å; F168-M172 HydrophobicContact CE2-SD 4.06Å; F168-M172 HydrophobicContact CG-CG 4.46Å; F168-M172 HydrophobicContact CZ-CE 4.03Å; F168-M172 HydrophobicContact CZ-CG 3.56Å; F168-M172 HydrophobicContact CZ-SD 3.49Å; F168-M172 WeakPolarHBondContact CZ-SD 3.18Å; F168-M172 WeakPolarHBondContact O-CG 3.29Å; F168-M172 PolarHBondContact O-N 3.43Å; F168-M172 VanDerWaalsContact O-N 3.08Å; F168-F222 HydrophobicContact CE2-CB 3.79Å; F168-F222 HydrophobicContact CZ-CB 3.87Å; F168-R223 HydrophobicContact CD1-CG 3.68Å; F168-R223 HydrophobicContact CE1-CG 3.32Å; F168-R223 HydrophobicContact CG-CG 4.5Å; F168-R223 HydrophobicContact CZ-CG 3.88Å; F168-L226 HydrophobicContact CB-CD1 4.17Å; F168-L226 HydrophobicContact CB-CD2 4.29Å; F168-L226 HydrophobicContact CD2-CD2 4.44Å; F168-L226 HydrophobicContact CG-CD1 4.32Å
169E90.4Very high85.4Confident75 Ų7597.7 Ų97.735%0.3546%0.457SS..Hα-helixtrans-59.5-47.4179.5-70.9174.3158.100111.8G88 M165 K171 M172G88-E169 VanDerWaalsContact CA-OE1 3.22Å; G88-E169 WeakPolarHBondContact CA-OE1 3.44Å; G88-E169 PolarHBondContact N-OE1 3.31Å; M165-E169 HydrophobicContact CE-CG 4.23Å; M165-E169 WeakPolarHBondContact CE-OE1 3.35Å; M165-E169 WeakPolarHBondContact O-CG 3.27Å; M165-E169 PolarHBondContact O-N 3.47Å; E169-K171 PolarHBondContact O-N 3.43Å; E169-M172 PolarHBondContact O-N 2.77Å
170K89.7Confident85.5Confident125 Ų12591 Ų9154%0.54343%0.432SS..Hα-helixtrans-58.6-32.6175.9-71.3175-178.3-178.50113.7I166 F168I166-K170 HydrophobicContact CG2-CD 4.41Å; I166-K170 WeakPolarHBondContact O-CG 3.25Å; I166-K170 PolarHBondContact O-N 3.04Å; F168-K170 PolarHBondContact O-N 3.38Å
171K85.7Confident85.7Confident135 Ų13591.7 Ų91.759%0.58744%0.441SS*.Hα-helixtrans-86.7-16.4-178.1-71.6173.9-176.6175.90113.3Q167 F168 E169Q167-K171 VanDerWaalsContact O-CG 3.28Å; Q167-K171 WeakPolarHBondContact O-CG 2.85Å; Q167-K171 PolarHBondContact O-N 3Å; F168-K171 PolarHBondContact O-N 3.12Å; F168-K171 VanDerWaalsContact O-N 3.14Å; E169-K171 PolarHBondContact O-N 3.43Å
172M75.4Confident85.9Confident76 Ų7695.8 Ų95.837%0.37446%0.457SS..Hα-helixtrans-74.4-27.2-178-81.3-69.896.600113F168 E169 D174 K175F168-M172 HydrophobicContact CD1-CG 3.9Å; F168-M172 HydrophobicContact CE1-CG 3.4Å; F168-M172 VanDerWaalsContact CE1-CG 3.4Å; F168-M172 HydrophobicContact CE1-SD 3.96Å; F168-M172 HydrophobicContact CE2-CE 3.96Å; F168-M172 HydrophobicContact CE2-CG 4.17Å; F168-M172 HydrophobicContact CE2-SD 4.06Å; F168-M172 HydrophobicContact CG-CG 4.46Å; F168-M172 HydrophobicContact CZ-CE 4.03Å; F168-M172 HydrophobicContact CZ-CG 3.56Å; F168-M172 HydrophobicContact CZ-SD 3.49Å; F168-M172 WeakPolarHBondContact CZ-SD 3.18Å; F168-M172 WeakPolarHBondContact O-CG 3.29Å; F168-M172 PolarHBondContact O-N 3.43Å; F168-M172 VanDerWaalsContact O-N 3.08Å; E169-M172 PolarHBondContact O-N 2.77Å; M172-D174 PolarHBondContact O-N 3.19Å; M172-D174 VanDerWaalsContact O-N 3.14Å; M172-K175 HydrophobicContact CE-CB 3.76Å; M172-K175 HydrophobicContact CE-CD 3.36Å; M172-K175 HydrophobicContact CE-CG 4.22Å; M172-K175 PolarHBondContact O-N 3.03Å
173E62.4Low86.1Confident176 Ų17697.8 Ų97.882%0.82246%0.464SS*.THydrogen-bonded Turntrans-58.4-26.2175.1-68.9-177.9163.600112.4
174D60.8Low86.2Confident147 Ų14798.3 Ų98.379%0.78646%0.463SS*.THydrogen-bonded Turntrans-108.1-3.1-173.1-66.5-38.1000115.5M172M172-D174 PolarHBondContact O-N 3.19Å; M172-D174 VanDerWaalsContact O-N 3.14Å
175K67.3Low86.4Confident118 Ų11895.5 Ų95.551%0.51345%0.45SS..PPolyproline II helixtrans-98.1119.7-163.8-146.3-178.9-171178.60114M172M172-K175 HydrophobicContact CE-CB 3.76Å; M172-K175 HydrophobicContact CE-CD 3.36Å; M172-K175 HydrophobicContact CE-CG 4.22Å; M172-K175 PolarHBondContact O-N 3.03Å
176K67.5Low86.6Confident194 Ų19495.6 Ų95.684%0.84345%0.451SS*.PPolyproline II helixtrans-67.3132.5166.8-69.2-177.6180-179.20111.4R178K176-R178 PolarHBondContact O-N 2.82Å
177T79.8Confident86.8Confident107 Ų10796.8 Ų96.866%0.65646%0.455SS*.PPolyproline II helixtrans-61.3127.4172.7-51.50000110.4L217T177-L217 HydrophobicContact CG2-CD1 3.66Å; T177-L217 HydrophobicContact CG2-CD2 3.47Å; T177-L217 VanDerWaalsContact CG2-CD2 3.47Å; T177-L217 HydrophobicContact CG2-CG 4.2Å
178R85.6Confident86.9Confident158 Ų15897.8 Ų97.860%0.59646%0.455SS*.  trans-85.6113.9178.8-69.4-177.3179.1178.4-2.1110.2K176 Y180 L217K176-R178 PolarHBondContact O-N 2.82Å; R178-Y180 HydrophobicContact CB-CE1 4.49Å; R178-Y180 HydrophobicContact CB-CE2 3.9Å; R178-Y180 WeakPolarHBondContact O-CD2 3.13Å; R178-Y180 WeakPolarHBondContact O-CE2 3.47Å; R178-L217 WeakPolarHBondContact O-CD2 3.46Å
179V94.6Very high87.1Confident69 Ų6996.3 Ų96.342%0.41845%0.448SS..  trans-85.5134.9170.9-174.60000109.3V212 L217V179-V212 HydrophobicContact CG1-CG2 3.83Å; V179-V212 HydrophobicContact CG2-CG2 4.04Å; V179-L217 HydrophobicContact CB-CD2 4.42Å; V179-L217 HydrophobicContact CG2-CD2 3.98Å
180Y96.1Very high87.4Confident33 Ų3395 Ų9513%0.12944%0.443CS..BIsolated β-bridgetrans-117158.5179.2-57.6-85.1000110.5R178 K184 R188 G215 V216 F218R178-Y180 HydrophobicContact CB-CE1 4.49Å; R178-Y180 HydrophobicContact CB-CE2 3.9Å; R178-Y180 WeakPolarHBondContact O-CD2 3.13Å; R178-Y180 WeakPolarHBondContact O-CE2 3.47Å; Y180-K184 HydrophobicContact CD1-CG 4.05Å; Y180-R188 VanDerWaalsContact CE1-CD 3.47Å; Y180-G215 CarbonylContact O-C 3.55Å; Y180-G215 WeakPolarHBondContact O-CA 3.43Å; Y180-V216 PolarHBondContact N-O 2.82Å; Y180-V216 WeakPolarHBondContact O-CG2 3.23Å; Y180-V216 PolarHBondContact O-N 3.1Å; Y180-F218 HydrophobicContact CD2-CD2 4.31Å; Y180-F218 HydrophobicContact CD2-CE2 4.35Å; Y180-F218 HydrophobicContact CE2-CD2 4.16Å; Y180-F218 HydrophobicContact CE2-CE2 4.35Å
181T98Very high87.6Confident78 Ų7893 Ų9348%0.47945%0.45SS..  trans-73.3162.6157.471.30000109.6E183 K184 A185T181-E183 VanDerWaalsContact C-N 3.32Å; T181-E183 WeakPolarHBondContact CB-OE2 3.43Å; T181-E183 PolarHBondContact O-N 2.81Å; T181-E183 PolarHBondContact OG1-OE2 3.33Å; T181-K184 PolarHBondContact O-N 2.85Å; T181-K184 WeakPolarHBondContact OG1-CB 3.4Å; T181-K184 PolarHBondContact OG1-N 2.87Å; T181-A185 PolarHBondContact O-N 2.81Å
182Y97.8Very high87.8Confident88 Ų8889.1 Ų89.135%0.34545%0.448SS..Hα-helixtrans-61.5-43.6177.5-179.1-99.4000111.4K184 A185 V186 L205 L209Y182-K184 VanDerWaalsContact C-N 3.29Å; Y182-K184 PolarHBondContact O-N 3.48Å; Y182-A185 WeakPolarHBondContact O-CA 3.45Å; Y182-A185 WeakPolarHBondContact O-CB 3.46Å; Y182-A185 PolarHBondContact O-N 3.27Å; Y182-V186 HydrophobicContact CD1-CG2 4.06Å; Y182-V186 HydrophobicContact CE1-CG2 3.66Å; Y182-V186 WeakPolarHBondContact O-CG2 3.41Å; Y182-V186 PolarHBondContact O-N 3.09Å; Y182-L205 HydrophobicContact CE2-CB 4.25Å; Y182-L209 HydrophobicContact CD2-CD1 3.64Å; Y182-L209 HydrophobicContact CE2-CD1 3.78Å
183E97.9Very high88.5Confident129 Ų12986.7 Ų86.760%0.60344%0.437SS*.Hα-helixtrans-60.9-41.3179.3-58.667.9-14400110.5T181 A185 V186 E187T181-E183 VanDerWaalsContact C-N 3.32Å; T181-E183 WeakPolarHBondContact CB-OE2 3.43Å; T181-E183 PolarHBondContact O-N 2.81Å; T181-E183 PolarHBondContact OG1-OE2 3.33Å; E183-A185 VanDerWaalsContact C-N 3.31Å; E183-A185 PolarHBondContact O-N 3.04Å; E183-V186 PolarHBondContact O-N 3.44Å; E183-E187 PolarHBondContact O-N 2.85Å
184K97.8Very high89.8Confident81 Ų8184.4 Ų84.435%0.35244%0.437SS..Hα-helixtrans-68.8-31.9176.6-167.557.5172.9-176.10112Y180 T181 Y182 E187 R188Y180-K184 HydrophobicContact CD1-CG 4.05Å; T181-K184 PolarHBondContact O-N 2.85Å; T181-K184 WeakPolarHBondContact OG1-CB 3.4Å; T181-K184 PolarHBondContact OG1-N 2.87Å; Y182-K184 VanDerWaalsContact C-N 3.29Å; Y182-K184 PolarHBondContact O-N 3.48Å; K184-E187 WeakPolarHBondContact CD-OE2 3.27Å; K184-E187 WeakPolarHBondContact CE-OE2 3.17Å; K184-E187 IonicContact NZ-OE1 2.73Å; K184-E187 PolarHBondContact NZ-OE1 3.49Å; K184-E187 IonicContact NZ-OE2 2.73Å; K184-E187 PolarHBondContact NZ-OE2 3.28Å; K184-R188 WeakPolarHBondContact O-CB 3.42Å; K184-R188 VanDerWaalsContact O-CG 3.23Å; K184-R188 WeakPolarHBondContact O-CG 3.41Å; K184-R188 PolarHBondContact O-N 2.94Å
185A96.9Very high91.3Very high0 Ų078.4 Ų78.40%041%0.407CS..Hα-helixtrans-67.2-41.8173.200000111.8T181 Y182 E183 R188 L189 L209 V216 F218T181-A185 PolarHBondContact O-N 2.81Å; Y182-A185 WeakPolarHBondContact O-CA 3.45Å; Y182-A185 WeakPolarHBondContact O-CB 3.46Å; Y182-A185 PolarHBondContact O-N 3.27Å; E183-A185 VanDerWaalsContact C-N 3.31Å; E183-A185 PolarHBondContact O-N 3.04Å; A185-R188 PolarHBondContact O-N 3.18Å; A185-L189 WeakPolarHBondContact O-CB 3.21Å; A185-L189 PolarHBondContact O-N 3.22Å; A185-L209 HydrophobicContact CB-CD1 4.06Å; A185-L209 HydrophobicContact CB-CD2 3.91Å; A185-V216 HydrophobicContact CB-CG2 4.08Å; A185-F218 HydrophobicContact CB-CE2 4.26Å; A185-F218 HydrophobicContact CB-CZ 3.94Å
186V97.7Very high92.6Very high13 Ų1373.4 Ų73.48%0.07939%0.386CS..Hα-helixtrans-58.4-52.7173176.40000110.6Y182 E183 R188 L189 L190 E198 L205Y182-V186 HydrophobicContact CD1-CG2 4.06Å; Y182-V186 HydrophobicContact CE1-CG2 3.66Å; Y182-V186 WeakPolarHBondContact O-CG2 3.41Å; Y182-V186 PolarHBondContact O-N 3.09Å; E183-V186 PolarHBondContact O-N 3.44Å; V186-R188 VanDerWaalsContact C-N 3.3Å; V186-R188 PolarHBondContact O-N 3.39Å; V186-L189 PolarHBondContact O-N 3.41Å; V186-L189 VanDerWaalsContact O-N 3.12Å; V186-L190 HydrophobicContact CG1-CD1 3.84Å; V186-L190 HydrophobicContact CG1-CG 4.41Å; V186-L190 WeakPolarHBondContact O-CG 3.41Å; V186-L190 PolarHBondContact O-N 2.86Å; V186-E198 HydrophobicContact CG1-CG 4.16Å; V186-L205 HydrophobicContact CB-CD1 4.15Å; V186-L205 HydrophobicContact CG2-CD1 3.49Å; V186-L205 VanDerWaalsContact CG2-CD1 3.49Å
187E97.2Very high94Very high104 Ų10467.1 Ų67.149%0.48636%0.364SS..Hα-helixtrans-55.7-45.7178.4-172.3-158.7137.100111.5E183 K184 L189 L190 A191E183-E187 PolarHBondContact O-N 2.85Å; K184-E187 WeakPolarHBondContact CD-OE2 3.27Å; K184-E187 WeakPolarHBondContact CE-OE2 3.17Å; K184-E187 IonicContact NZ-OE1 2.73Å; K184-E187 PolarHBondContact NZ-OE1 3.49Å; K184-E187 IonicContact NZ-OE2 2.73Å; K184-E187 PolarHBondContact NZ-OE2 3.28Å; E187-L189 PolarHBondContact O-N 3.4Å; E187-L190 PolarHBondContact O-N 3.3Å; E187-A191 VanDerWaalsContact O-CB 3.29Å; E187-A191 WeakPolarHBondContact O-CB 3.41Å; E187-A191 PolarHBondContact O-N 3Å
188R95.4Very high94.9Very high112 Ų11267.2 Ų67.242%0.42336%0.357SS..Hα-helixtrans-65.1-37.6178.8-76.1-17571.774.78.8112.9Y180 K184 A185 V186 G192 F218Y180-R188 VanDerWaalsContact CE1-CD 3.47Å; K184-R188 WeakPolarHBondContact O-CB 3.42Å; K184-R188 VanDerWaalsContact O-CG 3.23Å; K184-R188 WeakPolarHBondContact O-CG 3.41Å; K184-R188 PolarHBondContact O-N 2.94Å; A185-R188 PolarHBondContact O-N 3.18Å; V186-R188 VanDerWaalsContact C-N 3.3Å; V186-R188 PolarHBondContact O-N 3.39Å; R188-G192 PolarHBondContact O-N 3Å; R188-F218 HydrophobicContact CB-CE2 4.48Å; R188-F218 HydrophobicContact CB-CZ 4.28Å
189L95.3Very high95.5Very high4 Ų465.3 Ų65.32%0.02136%0.355CS..Hα-helixtrans-67.7-46178.6-178.662.2000110.7A185 V186 E187 G192 N193 L196 A201 L204 L205A185-L189 WeakPolarHBondContact O-CB 3.21Å; A185-L189 PolarHBondContact O-N 3.22Å; V186-L189 PolarHBondContact O-N 3.41Å; V186-L189 VanDerWaalsContact O-N 3.12Å; E187-L189 PolarHBondContact O-N 3.4Å; L189-G192 PolarHBondContact O-N 2.88Å; L189-N193 WeakPolarHBondContact CD1-ND2 3.43Å; L189-N193 WeakPolarHBondContact O-CB 3.22Å; L189-N193 PolarHBondContact O-N 3.27Å; L189-N193 VanDerWaalsContact O-N 3.12Å; L189-N193 PolarHBondContact O-ND2 3.49Å; L189-L196 HydrophobicContact CD1-CD1 4.32Å; L189-L196 HydrophobicContact CD2-CD1 4.21Å; L189-L196 HydrophobicContact CG-CD1 3.96Å; L189-A201 HydrophobicContact CD2-CB 3.9Å; L189-A201 HydrophobicContact CG-CB 4.42Å; L189-L204 HydrophobicContact CD2-CB 4.15Å; L189-L204 HydrophobicContact CD2-CD1 4.5Å; L189-L205 HydrophobicContact CD2-CD1 4.17Å; L189-L205 HydrophobicContact CD2-CD2 3.92Å; L189-L205 HydrophobicContact CD2-CG 3.74Å
190L95.9Very high95.6Very high47 Ų4762.2 Ų62.225%0.24634%0.336CS..Hα-helixtrans-63.2-43.2177.6-69.4172.4000112.1V186 E187 G192 N193 L196 E198 A201V186-L190 HydrophobicContact CG1-CD1 3.84Å; V186-L190 HydrophobicContact CG1-CG 4.41Å; V186-L190 WeakPolarHBondContact O-CG 3.41Å; V186-L190 PolarHBondContact O-N 2.86Å; E187-L190 PolarHBondContact O-N 3.3Å; L190-G192 PolarHBondContact O-N 3.32Å; L190-N193 CarbonylContact O-C 3.22Å; L190-N193 VanDerWaalsContact O-C 3.22Å; L190-N193 PolarHBondContact O-N 2.92Å; L190-L196 HydrophobicContact CD2-CB 3.99Å; L190-L196 WeakPolarHBondContact CD2-O 3.33Å; L190-E198 HydrophobicContact CD1-CB 4.43Å; L190-E198 HydrophobicContact CD1-CG 4.36Å; L190-A201 HydrophobicContact CD2-CB 3.72Å; L190-A201 HydrophobicContact CG-CB 4.02Å
191A94.5Very high95.7Very high84 Ų8460.7 Ų60.769%0.69433%0.33SS*.Hα-helixtrans-62-31.517800000112.9E187E187-A191 VanDerWaalsContact O-CB 3.29Å; E187-A191 WeakPolarHBondContact O-CB 3.41Å; E187-A191 PolarHBondContact O-N 3Å
192G89.9Confident95.7Very high53 Ų5360 Ų6055%0.54632%0.321SS..Hα-helixtrans-82.8-17.5175.500000114.3R188 L189 L190R188-G192 PolarHBondContact O-N 3Å; L189-G192 PolarHBondContact O-N 2.88Å; L190-G192 PolarHBondContact O-N 3.32Å
193N90.6Very high95.7Very high26 Ų2656.8 Ų56.814%0.13931%0.309CS..  trans-138.979-171-62.4-78.6000110L189 L190 S195 L196L189-N193 WeakPolarHBondContact CD1-ND2 3.43Å; L189-N193 WeakPolarHBondContact O-CB 3.22Å; L189-N193 PolarHBondContact O-N 3.27Å; L189-N193 VanDerWaalsContact O-N 3.12Å; L189-N193 PolarHBondContact O-ND2 3.49Å; L190-N193 CarbonylContact O-C 3.22Å; L190-N193 VanDerWaalsContact O-C 3.22Å; L190-N193 PolarHBondContact O-N 2.92Å; N193-S195 PolarHBondContact O-N 3.2Å; N193-L196 HydrophobicContact CB-CB 4.46Å; N193-L196 HydrophobicContact CB-CD1 3.64Å; N193-L196 HydrophobicContact CB-CG 3.9Å; N193-L196 PolarHBondContact O-N 3.21Å
194P88.3Confident95.8Very high127 Ų12750.9 Ų50.983%0.82528%0.281SS*.THydrogen-bonded Turntrans-65.5-12.9-173.326.7-35.6000114.1
195S92.6Very high95.8Very high22 Ų2247.2 Ų47.215%0.15427%0.266CS..THydrogen-bonded Turntrans-79.2-19.5173.155.20000113.4N193 H292 N296N193-S195 PolarHBondContact O-N 3.2Å; S195-H292 PolarHBondContact OG-CE1 2.97Å; S195-H292 PolarHBondContact OG-ND1 2.81Å; S195-N296 PolarHBondContact O-ND2 3Å
196L95.6Very high95.8Very high13 Ų1353.4 Ų53.47%0.06830%0.295CS..  trans-75.5137.6-178-72.2175.7000111.2L189 L190 N193 L204 H292 L295L189-L196 HydrophobicContact CD1-CD1 4.32Å; L189-L196 HydrophobicContact CD2-CD1 4.21Å; L189-L196 HydrophobicContact CG-CD1 3.96Å; L190-L196 HydrophobicContact CD2-CB 3.99Å; L190-L196 WeakPolarHBondContact CD2-O 3.33Å; N193-L196 HydrophobicContact CB-CB 4.46Å; N193-L196 HydrophobicContact CB-CD1 3.64Å; N193-L196 HydrophobicContact CB-CG 3.9Å; N193-L196 PolarHBondContact O-N 3.21Å; L196-L204 HydrophobicContact CD1-CD1 3.77Å; L196-L204 HydrophobicContact CD2-CD1 3.92Å; L196-H292 HydrophobicContact CD2-CB 4.05Å; L196-L295 HydrophobicContact CD2-CD2 3.9Å
197T97Very high95.7Very high62 Ų6253.6 Ų53.638%0.3829%0.294SS..  trans-75.2162.616069.30000110.5E199 S200 A201 N296T197-E199 VanDerWaalsContact C-N 3.25Å; T197-E199 PolarHBondContact O-N 2.81Å; T197-S200 PolarHBondContact O-N 3.15Å; T197-S200 WeakPolarHBondContact OG1-CB 3.47Å; T197-S200 PolarHBondContact OG1-N 2.88Å; T197-S200 PolarHBondContact OG1-OG 2.78Å; T197-A201 WeakPolarHBondContact O-CB 3.39Å; T197-A201 PolarHBondContact O-N 3.02Å; T197-N296 HydrophobicContact CG2-CB 4.27Å; T197-N296 PolarHBondContact N-OD1 3.34Å; T197-N296 PolarHBondContact OG1-OD1 2.79Å
198E97.4Very high95.7Very high109 Ų10949 Ų4951%0.50928%0.275SS..Hα-helixtrans-59.1-38.2175.1-167.6-172.7140.800112.1V186 L190 A201 K202V186-E198 HydrophobicContact CG1-CG 4.16Å; L190-E198 HydrophobicContact CD1-CB 4.43Å; L190-E198 HydrophobicContact CD1-CG 4.36Å; E198-A201 WeakPolarHBondContact O-CB 3.21Å; E198-A201 PolarHBondContact O-N 2.9Å; E198-K202 WeakPolarHBondContact O-CG 3.32Å; E198-K202 PolarHBondContact O-N 3.27Å; E198-K202 WeakPolarHBondContact OE1-CE 3.49Å; E198-K202 IonicContact OE1-NZ 3.12Å; E198-K202 PolarHBondContact OE1-NZ 3.05Å
199E98Very high95.8Very high118 Ų11845 Ų4555%0.55126%0.261SS*.Hα-helixtrans-66.5-46.4178.7-171.361.4-167.600111.5T197 A201 K202 I203T197-E199 VanDerWaalsContact C-N 3.25Å; T197-E199 PolarHBondContact O-N 2.81Å; E199-A201 VanDerWaalsContact C-N 3.29Å; E199-A201 PolarHBondContact O-N 3.11Å; E199-K202 WeakPolarHBondContact O-CB 3.14Å; E199-K202 PolarHBondContact O-N 2.99Å; E199-K202 VanDerWaalsContact O-N 3.1Å; E199-I203 WeakPolarHBondContact O-CG1 3.46Å; E199-I203 PolarHBondContact O-N 2.95Å
200S98Very high95.9Very high4 Ų448.3 Ų48.33%0.02828%0.282CS..Hα-helixtrans-60.5-38.5174.6-63.90000112.5T197 I203 L204 N296T197-S200 PolarHBondContact O-N 3.15Å; T197-S200 WeakPolarHBondContact OG1-CB 3.47Å; T197-S200 PolarHBondContact OG1-N 2.88Å; T197-S200 PolarHBondContact OG1-OG 2.78Å; S200-I203 WeakPolarHBondContact O-CB 3.21Å; S200-I203 PolarHBondContact O-N 3Å; S200-L204 WeakPolarHBondContact O-CG 3.34Å; S200-L204 PolarHBondContact O-N 3.08Å; S200-N296 WeakPolarHBondContact CB-OD1 3.44Å; S200-N296 PolarHBondContact OG-OD1 3.44Å
201A98.1Very high95.9Very high0 Ų055.1 Ų55.10%031%0.309CS..Hα-helixtrans-61.9-43.7173.400000111.6L189 L190 T197 E198 E199 I203 L204 L205L189-A201 HydrophobicContact CD2-CB 3.9Å; L189-A201 HydrophobicContact CG-CB 4.42Å; L190-A201 HydrophobicContact CD2-CB 3.72Å; L190-A201 HydrophobicContact CG-CB 4.02Å; T197-A201 WeakPolarHBondContact O-CB 3.39Å; T197-A201 PolarHBondContact O-N 3.02Å; E198-A201 WeakPolarHBondContact O-CB 3.21Å; E198-A201 PolarHBondContact O-N 2.9Å; E199-A201 VanDerWaalsContact C-N 3.29Å; E199-A201 PolarHBondContact O-N 3.11Å; A201-I203 VanDerWaalsContact C-N 3.35Å; A201-I203 PolarHBondContact O-N 3Å; A201-L204 PolarHBondContact O-N 3.38Å; A201-L205 WeakPolarHBondContact O-CB 3.17Å; A201-L205 WeakPolarHBondContact O-CG 3.31Å; A201-L205 PolarHBondContact O-N 3.47Å
202K98.2Very high96Very high65 Ų6553.6 Ų53.628%0.28329%0.292SS..Hα-helixtrans-60.5-44175.4-69.3168.4-176.3161.90111.5E198 E199 L204 L205 E206E198-K202 WeakPolarHBondContact O-CG 3.32Å; E198-K202 PolarHBondContact O-N 3.27Å; E198-K202 WeakPolarHBondContact OE1-CE 3.49Å; E198-K202 IonicContact OE1-NZ 3.12Å; E198-K202 PolarHBondContact OE1-NZ 3.05Å; E199-K202 WeakPolarHBondContact O-CB 3.14Å; E199-K202 PolarHBondContact O-N 2.99Å; E199-K202 VanDerWaalsContact O-N 3.1Å; K202-L204 VanDerWaalsContact C-N 3.35Å; K202-L204 PolarHBondContact O-N 2.9Å; K202-L205 PolarHBondContact O-N 3.24Å; K202-L205 VanDerWaalsContact O-N 3.12Å; K202-E206 PolarHBondContact O-N 2.64Å; K202-E206 VanDerWaalsContact O-N 3.17Å
203I98.3Very high96.2Very high20 Ų2060.2 Ų60.210%0.10331%0.308CS..Hα-helixtrans-56.1-48175.9-69.9170.6000111.3G56 N59 T60 E199 S200 A201 L205 E206 L295G56-I203 WeakPolarHBondContact O-CG2 3.49Å; N59-I203 HydrophobicContact CB-CG2 3.95Å; T60-I203 HydrophobicContact CG2-CD1 3.6Å; E199-I203 WeakPolarHBondContact O-CG1 3.46Å; E199-I203 PolarHBondContact O-N 2.95Å; S200-I203 WeakPolarHBondContact O-CB 3.21Å; S200-I203 PolarHBondContact O-N 3Å; A201-I203 VanDerWaalsContact C-N 3.35Å; A201-I203 PolarHBondContact O-N 3Å; I203-L205 VanDerWaalsContact C-N 3.32Å; I203-L205 PolarHBondContact O-N 3.3Å; I203-E206 WeakPolarHBondContact O-CB 3.46Å; I203-E206 PolarHBondContact O-N 2.99Å; I203-L295 HydrophobicContact CD1-CD1 4.22Å; I203-L295 HydrophobicContact CG2-CD1 4.14Å
204L98.4Very high96.4Very high4 Ų462.6 Ų62.62%0.02134%0.339CS..Hα-helixtrans-65.6-36.8177.9-68178.3000111.8D53 N54 L189 L196 S200 A201 K202 E206 R207 G208 L295D53-L204 HydrophobicContact CB-CD2 4.22Å; D53-L204 WeakPolarHBondContact OD1-CD1 3.44Å; N54-L204 PolarHBondContact ND2-O 2.88Å; L189-L204 HydrophobicContact CD2-CB 4.15Å; L189-L204 HydrophobicContact CD2-CD1 4.5Å; L196-L204 HydrophobicContact CD1-CD1 3.77Å; L196-L204 HydrophobicContact CD2-CD1 3.92Å; S200-L204 WeakPolarHBondContact O-CG 3.34Å; S200-L204 PolarHBondContact O-N 3.08Å; A201-L204 PolarHBondContact O-N 3.38Å; K202-L204 VanDerWaalsContact C-N 3.35Å; K202-L204 PolarHBondContact O-N 2.9Å; L204-E206 VanDerWaalsContact C-N 3.27Å; L204-E206 PolarHBondContact O-N 2.89Å; L204-R207 PolarHBondContact O-N 3.49Å; L204-G208 WeakPolarHBondContact O-CA 3.32Å; L204-G208 PolarHBondContact O-N 3.23Å; L204-L295 HydrophobicContact CD1-CD2 4.12Å; L204-L295 HydrophobicContact CD2-CD2 4.22Å; L204-L295 HydrophobicContact CG-CD2 4.01Å
205L98.3Very high96.8Very high4 Ų457.6 Ų57.62%0.02131%0.311CS..Hα-helixtrans-71.5-17.4-178.3-70.2170.5000113.9Y182 V186 L189 A201 K202 I203 R207 G208 L209 F218Y182-L205 HydrophobicContact CE2-CB 4.25Å; V186-L205 HydrophobicContact CB-CD1 4.15Å; V186-L205 HydrophobicContact CG2-CD1 3.49Å; V186-L205 VanDerWaalsContact CG2-CD1 3.49Å; L189-L205 HydrophobicContact CD2-CD1 4.17Å; L189-L205 HydrophobicContact CD2-CD2 3.92Å; L189-L205 HydrophobicContact CD2-CG 3.74Å; A201-L205 WeakPolarHBondContact O-CB 3.17Å; A201-L205 WeakPolarHBondContact O-CG 3.31Å; A201-L205 PolarHBondContact O-N 3.47Å; K202-L205 PolarHBondContact O-N 3.24Å; K202-L205 VanDerWaalsContact O-N 3.12Å; I203-L205 VanDerWaalsContact C-N 3.32Å; I203-L205 PolarHBondContact O-N 3.3Å; L205-R207 PolarHBondContact O-N 3.49Å; L205-G208 PolarHBondContact O-N 3.5Å; L205-L209 HydrophobicContact CB-CD1 3.84Å; L205-L209 HydrophobicContact CB-CG 4.08Å; L205-L209 HydrophobicContact CD1-CD1 4.45Å; L205-L209 HydrophobicContact CD2-CD1 3.88Å; L205-L209 HydrophobicContact CD2-CD2 3.86Å; L205-L209 HydrophobicContact CD2-CG 3.64Å; L205-L209 HydrophobicContact CG-CD1 4.25Å; L205-L209 HydrophobicContact CG-CG 4.39Å; L205-L209 WeakPolarHBondContact O-CB 3.37Å; L205-L209 PolarHBondContact O-N 3.17Å; L205-F218 HydrophobicContact CD2-CD1 4.37Å; L205-F218 HydrophobicContact CD2-CE1 3.69Å; L205-F218 HydrophobicContact CD2-CZ 4.45Å
206E97.1Very high97Very high131 Ų13157.2 Ų57.261%0.61231%0.308SS*.Hα-helixtrans-55.8-35.3171-66.3-175.6167.500112.6K202 I203 L204K202-E206 PolarHBondContact O-N 2.64Å; K202-E206 VanDerWaalsContact O-N 3.17Å; I203-E206 WeakPolarHBondContact O-CB 3.46Å; I203-E206 PolarHBondContact O-N 2.99Å; L204-E206 VanDerWaalsContact C-N 3.27Å; L204-E206 PolarHBondContact O-N 2.89Å
207R96.5Very high97Very high16 Ų1658.3 Ų58.36%0.0631%0.313CS..Hα-helixtrans-111.3-13.3175.5-58.9-174.175.583-11.6113.5E22 N54 D75 G80 L204 L205 L209 S219E22-R207 IonicContact OE1-CZ 3.69Å; E22-R207 IonicContact OE1-NH1 3.95Å; E22-R207 PolarHBondContact OE1-NH1 3.2Å; E22-R207 IonicContact OE1-NH2 3.85Å; E22-R207 IonicContact OE2-CZ 2.99Å; E22-R207 IonicContact OE2-NH1 3.39Å; E22-R207 PolarHBondContact OE2-NH1 2.95Å; E22-R207 IonicContact OE2-NH2 3.42Å; E22-R207 PolarHBondContact OE2-NH2 3.36Å; N54-R207 HydrophobicContact CB-CB 4.34Å; D75-R207 IonicContact OD1-NE 3.32Å; D75-R207 IonicContact OD2-CZ 2.85Å; D75-R207 IonicContact OD2-NE 3.79Å; D75-R207 PolarHBondContact OD2-NE 3.46Å; D75-R207 IonicContact OD2-NH2 3.86Å; D75-R207 PolarHBondContact OD2-NH2 2.82Å; G80-R207 CarbonylContact C-O 3.52Å; G80-R207 WeakPolarHBondContact CA-O 3.39Å; L204-R207 PolarHBondContact O-N 3.49Å; L205-R207 PolarHBondContact O-N 3.49Å; R207-L209 VanDerWaalsContact C-N 3.31Å; R207-S219 PolarHBondContact O-OG 3.4Å
208G97.1Very high97Very high9 Ų956.7 Ų56.79%0.09330%0.301CS..Hα-helixtrans-83.7-5.2-179.600000114L204 L205 F218 S219L204-G208 WeakPolarHBondContact O-CA 3.32Å; L204-G208 PolarHBondContact O-N 3.23Å; L205-G208 PolarHBondContact O-N 3.5Å; G208-F218 WeakPolarHBondContact O-CA 3.48Å; G208-S219 VanDerWaalsContact C-OG 3.27Å; G208-S219 WeakPolarHBondContact CA-OG 3.17Å; G208-S219 PolarHBondContact O-N 3.2Å; G208-S219 PolarHBondContact O-OG 2.75Å
209L97.6Very high96.9Very high26 Ų2652.2 Ų52.214%0.13628%0.282CS..EExtended strand (participates in β ladder)trans-125.9146.8-177.7-63.3177.4000113.5Y182 A185 L205 R207 V216 L217 F218Y182-L209 HydrophobicContact CD2-CD1 3.64Å; Y182-L209 HydrophobicContact CE2-CD1 3.78Å; A185-L209 HydrophobicContact CB-CD1 4.06Å; A185-L209 HydrophobicContact CB-CD2 3.91Å; L205-L209 HydrophobicContact CB-CD1 3.84Å; L205-L209 HydrophobicContact CB-CG 4.08Å; L205-L209 HydrophobicContact CD1-CD1 4.45Å; L205-L209 HydrophobicContact CD2-CD1 3.88Å; L205-L209 HydrophobicContact CD2-CD2 3.86Å; L205-L209 HydrophobicContact CD2-CG 3.64Å; L205-L209 HydrophobicContact CG-CD1 4.25Å; L205-L209 HydrophobicContact CG-CG 4.39Å; L205-L209 WeakPolarHBondContact O-CB 3.37Å; L205-L209 PolarHBondContact O-N 3.17Å; R207-L209 VanDerWaalsContact C-N 3.31Å; L209-V216 HydrophobicContact CB-CB 4.39Å; L209-V216 HydrophobicContact CD1-CB 4.22Å; L209-V216 HydrophobicContact CD1-CG1 4.35Å; L209-V216 HydrophobicContact CD1-CG2 4.02Å; L209-V216 HydrophobicContact CD2-CB 4.26Å; L209-V216 HydrophobicContact CD2-CG2 4.11Å; L209-L217 CarbonylContact C-O 3.6Å; L209-L217 WeakPolarHBondContact CA-O 3.44Å; L209-L217 WeakPolarHBondContact CD2-O 3.42Å; L209-F218 HydrophobicContact CD2-CD1 3.94Å; L209-F218 HydrophobicContact CD2-CE1 4.14Å; L209-F218 HydrophobicContact CD2-CG 4.21Å
210V96.4Very high96.7Very high74 Ų7449.1 Ų49.145%0.44827%0.265SS..EExtended strand (participates in β ladder)trans-114.9128.2168.1-176.40000108.2V216 L217V210-V216 WeakPolarHBondContact O-CA 3.4Å; V210-L217 PolarHBondContact N-O 3.22Å; V210-L217 PolarHBondContact O-N 3.34Å
211K96.4Very high96.5Very high190 Ų19049.4 Ų49.483%0.82627%0.266SS*.EExtended strand (participates in β ladder)trans-74133.5174.5-66.9-177179.9-179.70109.9V216K211-V216 HydrophobicContact CG-CG1 4.49Å
212V95.9Very high96.2Very high53 Ų5354.9 Ų54.932%0.32129%0.29SS..EExtended strand (participates in β ladder)trans-137.1170.5177.3-63.70000110V179 G214 G215 L217V179-V212 HydrophobicContact CG1-CG2 3.83Å; V179-V212 HydrophobicContact CG2-CG2 4.04Å; V212-G214 PolarHBondContact O-N 2.86Å; V212-G215 PolarHBondContact N-O 3.23Å; V212-G215 PolarHBondContact O-N 3.23Å; V212-L217 HydrophobicContact CG1-CD1 3.65Å; V212-L217 HydrophobicContact CG1-CG 3.85Å; V212-L217 HydrophobicContact CG2-CD1 4.35Å; V212-L217 HydrophobicContact CG2-CD2 4.33Å; V212-L217 HydrophobicContact CG2-CG 3.83Å
213E94.6Very high95.9Very high191 Ų19153.1 Ų53.189%0.89328%0.282SS*.THydrogen-bonded Turntrans-57129.9171.2-169.8179.9175.300110.3G215E213-G215 VanDerWaalsContact C-N 3.32Å; E213-G215 PolarHBondContact O-N 3.06Å
214G93.9Very high95.7Very high76 Ų7652.7 Ų52.778%0.78428%0.279SS*.THydrogen-bonded Turntrans78.91179.900000116.1V212V212-G214 PolarHBondContact O-N 2.86Å
215G96.9Very high95.3Very high23 Ų2355.7 Ų55.724%0.23730%0.296CS..EExtended strand (participates in β ladder)trans154.5-132.6173.200000115.5Y180 V212 E213Y180-G215 CarbonylContact O-C 3.55Å; Y180-G215 WeakPolarHBondContact O-CA 3.43Å; V212-G215 PolarHBondContact N-O 3.23Å; V212-G215 PolarHBondContact O-N 3.23Å; E213-G215 VanDerWaalsContact C-N 3.32Å; E213-G215 PolarHBondContact O-N 3.06Å
216V97.6Very high95Very high14 Ų1457.3 Ų57.39%0.08530%0.304CS..EExtended strand (participates in β ladder)trans-133.7151-175.4-63.30000112.4Y180 A185 L209 V210 K211Y180-V216 PolarHBondContact N-O 2.82Å; Y180-V216 WeakPolarHBondContact O-CG2 3.23Å; Y180-V216 PolarHBondContact O-N 3.1Å; A185-V216 HydrophobicContact CB-CG2 4.08Å; L209-V216 HydrophobicContact CB-CB 4.39Å; L209-V216 HydrophobicContact CD1-CB 4.22Å; L209-V216 HydrophobicContact CD1-CG1 4.35Å; L209-V216 HydrophobicContact CD1-CG2 4.02Å; L209-V216 HydrophobicContact CD2-CB 4.26Å; L209-V216 HydrophobicContact CD2-CG2 4.11Å; V210-V216 WeakPolarHBondContact O-CA 3.4Å; K211-V216 HydrophobicContact CG-CG1 4.49Å
217L95.6Very high94.4Very high36 Ų3655.9 Ų55.919%0.18830%0.296CS..EExtended strand (participates in β ladder)trans-115.4147.7169.9-59.7-178.8000109.7T177 R178 V179 L209 V210 V212 S219T177-L217 HydrophobicContact CG2-CD1 3.66Å; T177-L217 HydrophobicContact CG2-CD2 3.47Å; T177-L217 VanDerWaalsContact CG2-CD2 3.47Å; T177-L217 HydrophobicContact CG2-CG 4.2Å; R178-L217 WeakPolarHBondContact O-CD2 3.46Å; V179-L217 HydrophobicContact CB-CD2 4.42Å; V179-L217 HydrophobicContact CG2-CD2 3.98Å; L209-L217 CarbonylContact C-O 3.6Å; L209-L217 WeakPolarHBondContact CA-O 3.44Å; L209-L217 WeakPolarHBondContact CD2-O 3.42Å; V210-L217 PolarHBondContact N-O 3.22Å; V210-L217 PolarHBondContact O-N 3.34Å; V212-L217 HydrophobicContact CG1-CD1 3.65Å; V212-L217 HydrophobicContact CG1-CG 3.85Å; V212-L217 HydrophobicContact CG2-CD1 4.35Å; V212-L217 HydrophobicContact CG2-CD2 4.33Å; V212-L217 HydrophobicContact CG2-CG 3.83Å; L217-S219 PolarHBondContact O-N 3.11Å
218F95.7Very high93.8Very high27 Ų2756.8 Ų56.812%0.11830%0.302CS..EExtended strand (participates in β ladder)trans-68130.6164.7-74.8-82.7000109.5Y180 A185 R188 L205 G208 L209 R220Y180-F218 HydrophobicContact CD2-CD2 4.31Å; Y180-F218 HydrophobicContact CD2-CE2 4.35Å; Y180-F218 HydrophobicContact CE2-CD2 4.16Å; Y180-F218 HydrophobicContact CE2-CE2 4.35Å; A185-F218 HydrophobicContact CB-CE2 4.26Å; A185-F218 HydrophobicContact CB-CZ 3.94Å; R188-F218 HydrophobicContact CB-CE2 4.48Å; R188-F218 HydrophobicContact CB-CZ 4.28Å; L205-F218 HydrophobicContact CD2-CD1 4.37Å; L205-F218 HydrophobicContact CD2-CE1 3.69Å; L205-F218 HydrophobicContact CD2-CZ 4.45Å; G208-F218 WeakPolarHBondContact O-CA 3.48Å; L209-F218 HydrophobicContact CD2-CD1 3.94Å; L209-F218 HydrophobicContact CD2-CE1 4.14Å; L209-F218 HydrophobicContact CD2-CG 4.21Å; F218-R220 VanDerWaalsContact C-N 3.29Å; F218-R220 HydrophobicContact CB-CG 4.31Å; F218-R220 VanDerWaalsContact CD1-CZ 3.43Å
219S95.3Very high93.3Very high15 Ų1557.6 Ų57.611%0.10531%0.305CS..  trans-72.3-24.918060.50000112.9G80 H84 R207 G208 L217G80-S219 WeakPolarHBondContact O-CB 3.24Å; G80-S219 PolarHBondContact O-OG 3.2Å; H84-S219 PolarHBondContact CE1-O 3.17Å; H84-S219 PolarHBondContact NE2-O 3.38Å; R207-S219 PolarHBondContact O-OG 3.4Å; G208-S219 VanDerWaalsContact C-OG 3.27Å; G208-S219 WeakPolarHBondContact CA-OG 3.17Å; G208-S219 PolarHBondContact O-N 3.2Å; G208-S219 PolarHBondContact O-OG 2.75Å; L217-S219 PolarHBondContact O-N 3.11Å
220R94Very high92.8Very high53 Ų5357.8 Ų57.820%0.231%0.31CS..SBendtrans-67.8145.5-177.373.7-167.1170.1-131.1-7.1112.7G78 F218 I224G78-R220 CarbonylContact O-C 3.59Å; G78-R220 WeakPolarHBondContact O-CA 3.39Å; G78-R220 WeakPolarHBondContact O-CB 3.5Å; F218-R220 VanDerWaalsContact C-N 3.29Å; F218-R220 HydrophobicContact CB-CG 4.31Å; F218-R220 VanDerWaalsContact CD1-CZ 3.43Å; R220-I224 HydrophobicContact CB-CD1 3.85Å; R220-I224 HydrophobicContact CG-CD1 4.06Å
221D94.5Very high92.6Very high10 Ų1057.3 Ų57.35%0.05330%0.3CS..  trans-70.6131.4173.3-172.4-26.6000110.2G78 H84 Y91 R223 I224G78-D221 PolarHBondContact O-N 3.21Å; H84-D221 HydrophobicContact CB-CB 4.32Å; H84-D221 IonicContact CG-OD2 3.4Å; H84-D221 IonicContact ND1-OD2 3.56Å; Y91-D221 HydrophobicContact CE2-CB 4.28Å; Y91-D221 VanDerWaalsContact CE2-OD2 3.32Å; Y91-D221 WeakPolarHBondContact CE2-OD2 3.41Å; Y91-D221 WeakPolarHBondContact OH-CB 3.39Å; Y91-D221 PolarHBondContact OH-OD2 3.43Å; D221-R223 PolarHBondContact O-N 3.09Å; D221-R223 WeakPolarHBondContact OD1-CB 3.4Å; D221-R223 WeakPolarHBondContact OD1-CG 3.31Å; D221-R223 PolarHBondContact OD1-N 3.31Å; D221-R223 IonicContact OD1-NE 2.61Å; D221-R223 PolarHBondContact OD1-NE 2.82Å; D221-R223 IonicContact OD2-CZ 3.7Å; D221-R223 IonicContact OD2-NE 3.25Å; D221-R223 PolarHBondContact OD2-NE 3.48Å; D221-R223 IonicContact OD2-NH2 2.69Å; D221-R223 PolarHBondContact OD2-NH2 2.94Å; D221-I224 HydrophobicContact CB-CG2 4.2Å; D221-I224 WeakPolarHBondContact O-CD1 3.43Å; D221-I224 WeakPolarHBondContact O-CG1 3.23Å; D221-I224 PolarHBondContact O-N 3.11Å
222F91Very high92.4Very high116 Ų11649.9 Ų49.951%0.50927%0.269SS..G310 helixtrans-61.7-28.7178.4-93.6-83.1000113.2F168 I224 N225F168-F222 HydrophobicContact CE2-CB 3.79Å; F168-F222 HydrophobicContact CZ-CB 3.87Å; F222-I224 PolarHBondContact O-N 3.22Å; F222-N225 WeakPolarHBondContact O-CB 3.44Å; F222-N225 PolarHBondContact O-N 3.29Å; F222-N225 PolarHBondContact O-ND2 2.84Å
223R93.5Very high92.4Very high27 Ų2748 Ų4810%0.10226%0.259CS..G310 helixtrans-64.9-21.1-177.4-68.1176.1-68.6172.1-6.2113.7R85 P86 Y91 M165 F168 D221 N225 L226R85-R223 PolarHBondContact O-NH2 3.17Å; P86-R223 PolarHBondContact O-NH1 3.47Å; Y91-R223 HydrophobicContact CD2-CB 3.88Å; Y91-R223 HydrophobicContact CE2-CB 3.78Å; M165-R223 HydrophobicContact SD-CG 4.27Å; F168-R223 HydrophobicContact CD1-CG 3.68Å; F168-R223 HydrophobicContact CE1-CG 3.32Å; F168-R223 HydrophobicContact CG-CG 4.5Å; F168-R223 HydrophobicContact CZ-CG 3.88Å; D221-R223 PolarHBondContact O-N 3.09Å; D221-R223 WeakPolarHBondContact OD1-CB 3.4Å; D221-R223 WeakPolarHBondContact OD1-CG 3.31Å; D221-R223 PolarHBondContact OD1-N 3.31Å; D221-R223 IonicContact OD1-NE 2.61Å; D221-R223 PolarHBondContact OD1-NE 2.82Å; D221-R223 IonicContact OD2-CZ 3.7Å; D221-R223 IonicContact OD2-NE 3.25Å; D221-R223 PolarHBondContact OD2-NE 3.48Å; D221-R223 IonicContact OD2-NH2 2.69Å; D221-R223 PolarHBondContact OD2-NH2 2.94Å; R223-N225 PolarHBondContact O-N 3.5Å; R223-N225 VanDerWaalsContact O-N 3.1Å; R223-L226 HydrophobicContact CB-CD1 4.11Å; R223-L226 HydrophobicContact CG-CD1 4.13Å; R223-L226 WeakPolarHBondContact O-CB 3.35Å; R223-L226 WeakPolarHBondContact O-CG 3.43Å; R223-L226 PolarHBondContact O-N 2.83Å; R223-L226 VanDerWaalsContact O-N 3.11Å
224I93.2Very high92.5Very high11 Ų1140.8 Ų40.86%0.05623%0.226CC..G310 helixtrans-61.1-19.7173.776.4-170000111.9W51 A52 Y91 R220 D221 F222W51-I224 PolarHBondContact NE1-O 2.69Å; A52-I224 HydrophobicContact CB-CD1 4.5Å; Y91-I224 HydrophobicContact CD1-CG2 3.97Å; Y91-I224 HydrophobicContact CD2-CG2 4.05Å; Y91-I224 HydrophobicContact CE1-CG2 3.97Å; Y91-I224 HydrophobicContact CE2-CG2 4.06Å; Y91-I224 HydrophobicContact CG-CG2 3.99Å; R220-I224 HydrophobicContact CB-CD1 3.85Å; R220-I224 HydrophobicContact CG-CD1 4.06Å; D221-I224 HydrophobicContact CB-CG2 4.2Å; D221-I224 WeakPolarHBondContact O-CD1 3.43Å; D221-I224 WeakPolarHBondContact O-CG1 3.23Å; D221-I224 PolarHBondContact O-N 3.11Å; F222-I224 PolarHBondContact O-N 3.22Å
225N90.8Very high92.6Very high67 Ų6744.9 Ų44.936%0.35823%0.225SC..G310 helixtrans-90.4-5.3-179.6-50.6-80.2000114.1W51 F222 R223W51-N225 HydrophobicContact CZ2-CB 3.93Å; W51-N225 WeakPolarHBondContact CZ2-OD1 3.42Å; F222-N225 WeakPolarHBondContact O-CB 3.44Å; F222-N225 PolarHBondContact O-N 3.29Å; F222-N225 PolarHBondContact O-ND2 2.84Å; R223-N225 PolarHBondContact O-N 3.5Å; R223-N225 VanDerWaalsContact O-N 3.1Å
226L91.2Very high92.6Very high39 Ų3948.6 Ų48.620%0.20424%0.236CC..SBendtrans-71.6154.9175-54.7176.1000109.8E164 M165 F168 R223 N228E164-L226 HydrophobicContact CB-CD2 4.24Å; M165-L226 HydrophobicContact CB-CD1 4.21Å; M165-L226 HydrophobicContact SD-CD1 3.54Å; M165-L226 VanDerWaalsContact SD-CD1 3.54Å; F168-L226 HydrophobicContact CB-CD1 4.17Å; F168-L226 HydrophobicContact CB-CD2 4.29Å; F168-L226 HydrophobicContact CD2-CD2 4.44Å; F168-L226 HydrophobicContact CG-CD1 4.32Å; R223-L226 HydrophobicContact CB-CD1 4.11Å; R223-L226 HydrophobicContact CG-CD1 4.13Å; R223-L226 WeakPolarHBondContact O-CB 3.35Å; R223-L226 WeakPolarHBondContact O-CG 3.43Å; R223-L226 PolarHBondContact O-N 2.83Å; R223-L226 VanDerWaalsContact O-N 3.11Å; L226-N228 PolarHBondContact O-N 2.92Å
227K85.6Confident92.6Very high100 Ų10048 Ų4844%0.43523%0.232SC..PPolyproline II helixtrans-58.6127.6-179.8-73-64.1-175.2-170.90111.5Q160 G161 E164 V229Q160-K227 HydrophobicContact CG-CG 4.09Å; G161-K227 WeakPolarHBondContact CA-O 3.38Å; E164-K227 WeakPolarHBondContact OE2-CG 3.49Å; E164-K227 PolarHBondContact OE2-N 3.35Å; K227-V229 PolarHBondContact O-N 3.16Å
228N82.1Confident92.7Very high35 Ų3549.1 Ų49.119%0.18724%0.238CC..PPolyproline II helixtrans-66.7124.4175.8-174.6-0.7000110.8F93 L226 A230F93-N228 WeakPolarHBondContact CD2-ND2 3.47Å; F93-N228 WeakPolarHBondContact CE2-ND2 3.34Å; L226-N228 PolarHBondContact O-N 2.92Å; N228-A230 PolarHBondContact OD1-N 3.42Å
229V87.5Confident92.8Very high27 Ų2749.6 Ų49.616%0.16425%0.25CS..  trans-92.1-8.2179.7-57.40000113.3L90 L158 L162 K227 R231L90-V229 HydrophobicContact CD1-CG2 3.65Å; L158-V229 HydrophobicContact CD2-CB 4.15Å; L158-V229 WeakPolarHBondContact CD2-O 3.27Å; L162-V229 HydrophobicContact CD2-CG1 4.17Å; L162-V229 HydrophobicContact CG-CG1 4.21Å; K227-V229 PolarHBondContact O-N 3.16Å; V229-R231 PolarHBondContact O-N 3.31Å
230A87.8Confident92.9Very high29 Ų2950.6 Ų50.624%0.2425%0.254CS..  trans-94.690.8173.100000109.1A92 P94 N228A92-A230 HydrophobicContact CB-CB 3.87Å; P94-A230 HydrophobicContact CG-CB 4.34Å; N228-A230 PolarHBondContact OD1-N 3.42Å
231R90.6Very high93.1Very high64 Ų6448.2 Ų48.224%0.24225%0.246CC..  trans-107.6150.3176.3-62.1-54.6-149.8147.711.3110.6T149 M154 V157 V229T149-R231 HydrophobicContact CG2-CB 4.48Å; T149-R231 HydrophobicContact CG2-CG 4.44Å; T149-R231 WeakPolarHBondContact OG1-CD 3.39Å; T149-R231 PolarHBondContact OG1-NH1 3.1Å; M154-R231 HydrophobicContact CG-CB 4.44Å; V157-R231 HydrophobicContact CG1-CG 4.23Å; V229-R231 PolarHBondContact O-N 3.31Å
232I93.8Very high93.2Very high34 Ų3450.7 Ų50.717%0.17426%0.264CS..  trans-128.5148.4176.658.4174.6000109.9M126 F146 P148 T149 M154 Q236 S237 L240M126-I232 HydrophobicContact CE-CD1 4.39Å; F146-I232 HydrophobicContact CB-CD1 4.49Å; F146-I232 HydrophobicContact CD1-CD1 4.03Å; P148-I232 WeakPolarHBondContact CA-O 3.44Å; T149-I232 PolarHBondContact N-O 3.49Å; M154-I232 VanDerWaalsContact CE-C 3.42Å; I232-Q236 VanDerWaalsContact CA-OE1 3.3Å; I232-Q236 HydrophobicContact CB-CB 4.08Å; I232-S237 VanDerWaalsContact CD1-OG 3.3Å; I232-S237 WeakPolarHBondContact CD1-OG 3.44Å; I232-L240 HydrophobicContact CD1-CD1 4.2Å
233S95.4Very high93.6Very high14 Ų1447.7 Ų47.710%0.09826%0.258CS..  trans-75.4170.3176700000110.9M154 E235 Q236 S237M154-S233 VanDerWaalsContact CE-N 3.29Å; S233-E235 VanDerWaalsContact C-N 3.33Å; S233-E235 PolarHBondContact OG-N 2.96Å; S233-Q236 PolarHBondContact O-N 2.86Å; S233-Q236 WeakPolarHBondContact OG-CG 3.36Å; S233-Q236 PolarHBondContact OG-N 3.05Å; S233-Q236 VanDerWaalsContact OG-N 3.11Å; S233-S237 WeakPolarHBondContact O-CB 3.37Å; S233-S237 PolarHBondContact O-N 3.47Å; S233-S237 PolarHBondContact O-OG 2.89Å
234L95.6Very high93.8Very high39 Ų3946.7 Ų46.720%0.20425%0.254CS..Hα-helixtrans-58.9-45.8169.617861000111.4P148 Q236 S237 L238 Y269 A272 V273P148-L234 HydrophobicContact CB-CB 4.14Å; P148-L234 HydrophobicContact CB-CD1 4.38Å; P148-L234 HydrophobicContact CG-CD1 4.22Å; L234-Q236 PolarHBondContact O-N 3.29Å; L234-S237 WeakPolarHBondContact O-CB 3.47Å; L234-S237 PolarHBondContact O-N 3.45Å; L234-S237 VanDerWaalsContact O-N 3.08Å; L234-L238 HydrophobicContact CD1-CD1 4.1Å; L234-L238 HydrophobicContact CD1-CD2 4.36Å; L234-L238 HydrophobicContact CD1-CG 3.98Å; L234-L238 HydrophobicContact CG-CD1 4Å; L234-L238 HydrophobicContact CG-CG 4.29Å; L234-L238 WeakPolarHBondContact O-CG 3.47Å; L234-L238 PolarHBondContact O-N 3.4Å; L234-Y269 HydrophobicContact CB-CD1 4.4Å; L234-Y269 HydrophobicContact CB-CG 4.5Å; L234-Y269 HydrophobicContact CD2-CD1 3.84Å; L234-Y269 HydrophobicContact CD2-CE1 4.43Å; L234-Y269 HydrophobicContact CD2-CG 4.46Å; L234-A272 HydrophobicContact CD1-CB 3.99Å; L234-A272 HydrophobicContact CD2-CB 3.94Å; L234-V273 HydrophobicContact CD1-CG2 3.95Å
235E97Very high93.9Very high162 Ų16253.1 Ų53.176%0.75728%0.284SS*.Hα-helixtrans-56.4-47.8178-176.9-176.6-178.100112S233 S237 L238 G239S233-E235 VanDerWaalsContact C-N 3.33Å; S233-E235 PolarHBondContact OG-N 2.96Å; E235-S237 VanDerWaalsContact C-N 3.32Å; E235-S237 PolarHBondContact O-N 3.39Å; E235-L238 PolarHBondContact O-N 3.02Å; E235-G239 PolarHBondContact O-N 2.98Å
236Q97.3Very high94.2Very high102 Ų10250.2 Ų50.248%0.47727%0.269SS..Hα-helixtrans-63.2-39.1175.8-71.7171.6-35.100112I232 S233 L234 G239 L240I232-Q236 VanDerWaalsContact CA-OE1 3.3Å; I232-Q236 HydrophobicContact CB-CB 4.08Å; S233-Q236 PolarHBondContact O-N 2.86Å; S233-Q236 WeakPolarHBondContact OG-CG 3.36Å; S233-Q236 PolarHBondContact OG-N 3.05Å; S233-Q236 VanDerWaalsContact OG-N 3.11Å; L234-Q236 PolarHBondContact O-N 3.29Å; Q236-G239 PolarHBondContact O-N 3.05Å; Q236-L240 WeakPolarHBondContact O-CG 3.43Å; Q236-L240 PolarHBondContact O-N 2.91Å
237S97.2Very high94.5Very high0 Ų049.7 Ų49.70%027%0.269CS..Hα-helixtrans-62.7-44.2177.1-57.10000111.4I232 S233 L234 E235 L240 L241I232-S237 VanDerWaalsContact CD1-OG 3.3Å; I232-S237 WeakPolarHBondContact CD1-OG 3.44Å; S233-S237 WeakPolarHBondContact O-CB 3.37Å; S233-S237 PolarHBondContact O-N 3.47Å; S233-S237 PolarHBondContact O-OG 2.89Å; L234-S237 WeakPolarHBondContact O-CB 3.47Å; L234-S237 PolarHBondContact O-N 3.45Å; L234-S237 VanDerWaalsContact O-N 3.08Å; E235-S237 VanDerWaalsContact C-N 3.32Å; E235-S237 PolarHBondContact O-N 3.39Å; S237-L240 PolarHBondContact O-N 3.47Å; S237-L241 VanDerWaalsContact O-CB 3.32Å; S237-L241 WeakPolarHBondContact O-CB 3.49Å; S237-L241 PolarHBondContact O-N 2.72Å
238L97.6Very high95.1Very high60 Ų6045.1 Ų45.131%0.31425%0.249SC..Hα-helixtrans-68.2-37.6178.4-66176.6000112.1L234 E235 L241 S242 A276L234-L238 HydrophobicContact CD1-CD1 4.1Å; L234-L238 HydrophobicContact CD1-CD2 4.36Å; L234-L238 HydrophobicContact CD1-CG 3.98Å; L234-L238 HydrophobicContact CG-CD1 4Å; L234-L238 HydrophobicContact CG-CG 4.29Å; L234-L238 WeakPolarHBondContact O-CG 3.47Å; L234-L238 PolarHBondContact O-N 3.4Å; E235-L238 PolarHBondContact O-N 3.02Å; L238-L241 PolarHBondContact O-N 2.94Å; L238-S242 WeakPolarHBondContact O-CB 3.21Å; L238-S242 PolarHBondContact O-N 3.42Å; L238-A276 HydrophobicContact CD2-CB 3.64Å
239G98.1Very high95.8Very high37 Ų3743.6 Ų43.638%0.38124%0.241SC..Hα-helixtrans-66-37.3174.300000113.5E235 Q236 S242 S243E235-G239 PolarHBondContact O-N 2.98Å; Q236-G239 PolarHBondContact O-N 3.05Å; G239-S242 PolarHBondContact O-OG 2.85Å; G239-S243 PolarHBondContact O-OG 2.98Å; G239-S243 VanDerWaalsContact O-OG 3.11Å
240L97.9Very high96.3Very high36 Ų3642.3 Ų42.319%0.18823%0.233CC..Hα-helixtrans-69.2-46.3172.4-72.3169.6000111.1M126 A129 L130 F146 I232 Q236 S237 S242 S243M126-L240 HydrophobicContact CE-CD1 4.2Å; A129-L240 HydrophobicContact CB-CB 3.95Å; A129-L240 HydrophobicContact CB-CD2 4.09Å; A129-L240 WeakPolarHBondContact CB-O 3.32Å; L130-L240 HydrophobicContact CD2-CD2 4.23Å; F146-L240 HydrophobicContact CD1-CB 4.31Å; F146-L240 HydrophobicContact CD1-CD1 4.31Å; F146-L240 HydrophobicContact CE1-CB 3.51Å; F146-L240 HydrophobicContact CE1-CD1 3.92Å; F146-L240 HydrophobicContact CE1-CG 4.36Å; F146-L240 HydrophobicContact CZ-CB 3.73Å; I232-L240 HydrophobicContact CD1-CD1 4.2Å; Q236-L240 WeakPolarHBondContact O-CG 3.43Å; Q236-L240 PolarHBondContact O-N 2.91Å; S237-L240 PolarHBondContact O-N 3.47Å; L240-S242 PolarHBondContact O-N 3.24Å; L240-S243 WeakPolarHBondContact O-CB 3.36Å; L240-S243 PolarHBondContact O-N 3.4Å
241L97.8Very high96.8Very high3 Ų341 Ų412%0.01622%0.222CC..Hα-helixtrans-56.2-40.9177.7-172.4159.5000111.6F146 S237 L238 S243 I244 V273 A276 Y277F146-L241 HydrophobicContact CD2-CB 4.15Å; F146-L241 HydrophobicContact CD2-CD1 4.39Å; F146-L241 HydrophobicContact CE2-CB 3.69Å; F146-L241 HydrophobicContact CE2-CD1 4.46Å; F146-L241 HydrophobicContact CE2-CG 4.22Å; F146-L241 HydrophobicContact CZ-CB 4.45Å; S237-L241 VanDerWaalsContact O-CB 3.32Å; S237-L241 WeakPolarHBondContact O-CB 3.49Å; S237-L241 PolarHBondContact O-N 2.72Å; L238-L241 PolarHBondContact O-N 2.94Å; L241-S243 PolarHBondContact O-N 3.22Å; L241-I244 WeakPolarHBondContact O-CB 3.42Å; L241-I244 PolarHBondContact O-N 3.36Å; L241-I244 VanDerWaalsContact O-N 3.11Å; L241-V273 HydrophobicContact CD1-CG1 3.99Å; L241-A276 HydrophobicContact CD1-CB 4.02Å; L241-A276 HydrophobicContact CD2-CB 4Å; L241-Y277 HydrophobicContact CD1-CD1 4.19Å; L241-Y277 HydrophobicContact CD1-CD2 3.81Å; L241-Y277 HydrophobicContact CD1-CE1 3.93Å; L241-Y277 HydrophobicContact CD1-CE2 3.53Å; L241-Y277 HydrophobicContact CD1-CG 4.13Å; L241-Y277 HydrophobicContact CD2-CD1 4.49Å; L241-Y277 HydrophobicContact CG-CD1 4.4Å; L241-Y277 HydrophobicContact CG-CE1 4.01Å; L241-Y277 HydrophobicContact CG-CE2 4.46Å
242S97.2Very high97.1Very high62 Ų6238.5 Ų38.543%0.43421%0.214SC..Hα-helixtrans-65-21.1179.973.10000113.8L238 G239 L240 R280L238-S242 WeakPolarHBondContact O-CB 3.21Å; L238-S242 PolarHBondContact O-N 3.42Å; G239-S242 PolarHBondContact O-OG 2.85Å; L240-S242 PolarHBondContact O-N 3.24Å; S242-R280 VanDerWaalsContact O-CZ 3.27Å; S242-R280 PolarHBondContact O-NH1 3.3Å; S242-R280 PolarHBondContact O-NH2 3.44Å
243S97.9Very high97.2Very high54 Ų5437.1 Ų37.138%0.37821%0.207SC..THydrogen-bonded Turntrans-84.6-9.2177.6-53.60000113.2P132 G239 L240 L241 E245P132-S243 WeakPolarHBondContact CB-O 3.21Å; G239-S243 PolarHBondContact O-OG 2.98Å; G239-S243 VanDerWaalsContact O-OG 3.11Å; L240-S243 WeakPolarHBondContact O-CB 3.36Å; L240-S243 PolarHBondContact O-N 3.4Å; L241-S243 PolarHBondContact O-N 3.22Å; S243-E245 PolarHBondContact O-N 3.25Å
244I98Very high97.1Very high5 Ų541.5 Ų41.53%0.02623%0.226CC..  trans-73.1115.5178-62.1176.8000110.1A129 L138 F146 L241 A246 V248 R280A129-I244 HydrophobicContact CB-CG1 3.92Å; L138-I244 HydrophobicContact CD2-CD1 4.23Å; F146-I244 HydrophobicContact CE2-CD1 3.87Å; F146-I244 HydrophobicContact CZ-CD1 3.97Å; L241-I244 WeakPolarHBondContact O-CB 3.42Å; L241-I244 PolarHBondContact O-N 3.36Å; L241-I244 VanDerWaalsContact O-N 3.11Å; I244-A246 HydrophobicContact CG2-CB 4.01Å; I244-V248 HydrophobicContact CG2-CG2 3.93Å; I244-R280 PolarHBondContact O-NH2 2.83Å
245E96.6Very high96.9Very high147 Ų14742.5 Ų42.569%0.68724%0.236SC*.  trans-92.5-18.7174.5-65.1-177.2-179.400113.3P132 S243P132-E245 HydrophobicContact CB-CB 3.99Å; P132-E245 HydrophobicContact CB-CG 3.79Å; S243-E245 PolarHBondContact O-N 3.25Å
246A96.7Very high96.3Very high6 Ų635 Ų355%0.0520%0.202CC..SBendtrans-59.3148.7177.300000111.6V135 L138 I244 V248V135-A246 HydrophobicContact CB-CB 4.09Å; V135-A246 HydrophobicContact CG1-CB 3.72Å; V135-A246 VanDerWaalsContact O-CB 3.31Å; V135-A246 WeakPolarHBondContact O-CB 3.39Å; L138-A246 HydrophobicContact CB-CB 4.25Å; I244-A246 HydrophobicContact CG2-CB 4.01Å; A246-V248 WeakPolarHBondContact O-CG2 3.48Å; A246-V248 PolarHBondContact O-N 2.92Å
247S96.1Very high95.6Very high28 Ų2830.9 Ų30.920%0.19618%0.183CC..EExtended strand (participates in β ladder)trans-72.9127.2167.8-59.50000109.9D136 T137 L138 F308 K312D136-S247 PolarHBondContact O-N 3.47Å; T137-S247 WeakPolarHBondContact CA-O 3.5Å; L138-S247 PolarHBondContact N-O 3.32Å; S247-F308 WeakPolarHBondContact O-CE1 3.23Å; S247-K312 WeakPolarHBondContact OG-CD 3.47Å; S247-K312 WeakPolarHBondContact OG-CE 3.43Å; S247-K312 PolarHBondContact OG-NZ 3.09Å
248V98.1Very high94.7Very high3 Ų334.4 Ų34.42%0.01820%0.2CC..EExtended strand (participates in β ladder)trans-110.1131.8-172.5-162.20000112.2L138 L140 I244 A246 L250 Y277 N282 T283L138-V248 HydrophobicContact CB-CG1 4.2Å; L138-V248 HydrophobicContact CB-CG2 4.29Å; L138-V248 HydrophobicContact CD2-CG1 4.05Å; L138-V248 HydrophobicContact CD2-CG2 4.32Å; L138-V248 HydrophobicContact CG-CG1 4.06Å; L138-V248 CarbonylContact O-C 3.56Å; L138-V248 VanDerWaalsContact O-CA 3.28Å; L138-V248 WeakPolarHBondContact O-CA 3.46Å; L138-V248 WeakPolarHBondContact O-CG1 3.5Å; L140-V248 HydrophobicContact CD1-CG1 4.16Å; L140-V248 HydrophobicContact CG-CG1 4.48Å; I244-V248 HydrophobicContact CG2-CG2 3.93Å; A246-V248 WeakPolarHBondContact O-CG2 3.48Å; A246-V248 PolarHBondContact O-N 2.92Å; V248-L250 HydrophobicContact CB-CD1 4.41Å; V248-L250 HydrophobicContact CG1-CD1 3.53Å; V248-Y277 HydrophobicContact CB-CD1 4.49Å; V248-Y277 HydrophobicContact CB-CE1 4.43Å; V248-Y277 HydrophobicContact CG1-CD1 4.33Å; V248-Y277 HydrophobicContact CG1-CE1 3.97Å; V248-Y277 HydrophobicContact CG2-CE1 4.34Å; V248-N282 HydrophobicContact CB-CB 4.05Å; V248-N282 VanDerWaalsContact CB-OD1 3.31Å; V248-N282 WeakPolarHBondContact CB-OD1 3.36Å; V248-N282 WeakPolarHBondContact CG2-OD1 3.29Å; V248-N282 PolarHBondContact N-OD1 2.93Å; V248-T283 PolarHBondContact O-N 3.16Å
249L98.4Very high93.7Very high3 Ų337.6 Ų37.62%0.01621%0.211CC..EExtended strand (participates in β ladder)trans-112.9117.1165.4170.964000109L138 V139 L140 V251 T283 V285 L304 F308L138-L249 PolarHBondContact O-N 3.33Å; V139-L249 CarbonylContact C-O 3.57Å; V139-L249 WeakPolarHBondContact CA-O 3.48Å; V139-L249 HydrophobicContact CG1-CD2 4.3Å; V139-L249 HydrophobicContact CG2-CB 4.44Å; L140-L249 PolarHBondContact N-O 2.97Å; L249-V251 HydrophobicContact CD1-CG2 4.14Å; L249-V251 HydrophobicContact CD2-CG2 3.98Å; L249-V251 HydrophobicContact CG-CG2 3.85Å; L249-T283 CarbonylContact C-O 3.57Å; L249-T283 WeakPolarHBondContact CA-O 3.47Å; L249-T283 HydrophobicContact CD1-CG2 3.61Å; L249-V285 HydrophobicContact CD1-CG2 4.18Å; L249-L304 HydrophobicContact CD2-CB 4.5Å; L249-F308 HydrophobicContact CB-CD1 3.51Å; L249-F308 HydrophobicContact CB-CD2 4Å; L249-F308 HydrophobicContact CB-CE1 3.47Å; L249-F308 VanDerWaalsContact CB-CE1 3.47Å; L249-F308 HydrophobicContact CB-CE2 4Å; L249-F308 HydrophobicContact CB-CG 3.77Å; L249-F308 HydrophobicContact CB-CZ 3.75Å; L249-F308 HydrophobicContact CD2-CB 3.79Å; L249-F308 HydrophobicContact CD2-CD1 4.19Å; L249-F308 HydrophobicContact CD2-CD2 4.5Å; L249-F308 HydrophobicContact CD2-CG 3.93Å; L249-F308 HydrophobicContact CG-CD1 4.48Å; L249-F308 HydrophobicContact CG-CG 4.4Å
250L98.1Very high92.4Very high0 Ų041.6 Ų41.60%022%0.221CC..EExtended strand (participates in β ladder)trans-99.1120.4167.8-78.983.4000109.1L140 Y144 V248 L274 Y277 T283 V284 V285L140-L250 HydrophobicContact CB-CG 4.17Å; L140-L250 HydrophobicContact CD1-CD1 4.06Å; L140-L250 HydrophobicContact CD1-CD2 4.4Å; L140-L250 HydrophobicContact CD1-CG 3.89Å; Y144-L250 HydrophobicContact CD1-CD2 4.26Å; V248-L250 HydrophobicContact CB-CD1 4.41Å; V248-L250 HydrophobicContact CG1-CD1 3.53Å; L250-L274 HydrophobicContact CD2-CD2 4.02Å; L250-Y277 HydrophobicContact CD1-CD1 3.67Å; L250-Y277 HydrophobicContact CD1-CD2 3.89Å; L250-Y277 HydrophobicContact CD1-CE1 3.9Å; L250-Y277 HydrophobicContact CD1-CE2 4.09Å; L250-Y277 HydrophobicContact CD1-CG 3.67Å; L250-Y277 HydrophobicContact CD2-CD2 3.66Å; L250-Y277 HydrophobicContact CD2-CE2 3.8Å; L250-Y277 HydrophobicContact CD2-CG 4.24Å; L250-Y277 HydrophobicContact CG-CD2 4.45Å; L250-T283 PolarHBondContact N-O 3.16Å; L250-V284 HydrophobicContact CB-CB 4.48Å; L250-V284 HydrophobicContact CB-CG1 4.2Å; L250-V284 HydrophobicContact CB-CG2 4.26Å; L250-V284 HydrophobicContact CD1-CG2 4.46Å; L250-V284 WeakPolarHBondContact O-CA 3.42Å; L250-V285 PolarHBondContact O-N 2.97Å
251V98.2Very high91Very high1 Ų140.8 Ų40.81%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-108.7114.8171.7-176.10000108.1L140 L141 D142 L249 V285 V287 V301L140-V251 PolarHBondContact O-N 2.76Å; L141-V251 HydrophobicContact CD2-CB 4.21Å; L141-V251 HydrophobicContact CD2-CG2 4.3Å; D142-V251 VanDerWaalsContact CA-O 3.32Å; D142-V251 WeakPolarHBondContact CA-O 3.4Å; D142-V251 PolarHBondContact N-O 2.89Å; L249-V251 HydrophobicContact CD1-CG2 4.14Å; L249-V251 HydrophobicContact CD2-CG2 3.98Å; L249-V251 HydrophobicContact CG-CG2 3.85Å; V251-V285 CarbonylContact C-O 3.49Å; V251-V285 WeakPolarHBondContact CA-O 3.47Å; V251-V287 HydrophobicContact CG1-CB 4.45Å; V251-V287 HydrophobicContact CG1-CG1 3.86Å; V251-V287 HydrophobicContact CG1-CG2 3.69Å; V251-V301 HydrophobicContact CG1-CB 4.5Å; V251-V301 HydrophobicContact CG1-CG1 3.79Å
252L96.9Very high89.4Confident13 Ų1343.6 Ų43.67%0.06824%0.24CC..EExtended strand (participates in β ladder)trans-111.5130.6-177.8-56.6175.4000110.2Y144 L274 V284 V285 Q286 V287Y144-L252 HydrophobicContact CD1-CD2 4.21Å; Y144-L252 HydrophobicContact CE1-CD1 3.96Å; Y144-L252 HydrophobicContact CE1-CD2 3.64Å; Y144-L252 HydrophobicContact CE1-CG 4.48Å; L252-L274 HydrophobicContact CD1-CD1 4.45Å; L252-L274 HydrophobicContact CD1-CD2 3.88Å; L252-V284 HydrophobicContact CD1-CG1 4.13Å; L252-V285 PolarHBondContact N-O 3.19Å; L252-Q286 CarbonylContact O-C 3.5Å; L252-Q286 VanDerWaalsContact O-CA 3.24Å; L252-Q286 WeakPolarHBondContact O-CA 3.15Å; L252-V287 PolarHBondContact O-N 2.91Å
253A95.9Very high87.6Confident5 Ų550.8 Ų50.84%0.04126%0.263CS..EExtended strand (participates in β ladder)trans-83.8138.8177.200000111.2D142 S255 G256 V287 D290 V293D142-A253 PolarHBondContact OD1-N 2.82Å; A253-S255 PolarHBondContact O-N 3.24Å; A253-G256 WeakPolarHBondContact O-CA 3.33Å; A253-G256 PolarHBondContact O-N 3.25Å; A253-V287 CarbonylContact C-O 3.56Å; A253-V287 WeakPolarHBondContact CA-O 3.17Å; A253-D290 WeakPolarHBondContact CB-O 3.5Å; A253-V293 HydrophobicContact CB-CB 4.46Å; A253-V293 HydrophobicContact CB-CG1 4.21Å
254E93.4Very high86.2Confident105 Ų10550.1 Ų50.149%0.49126%0.259SS..EExtended strand (participates in β ladder)trans-57.3-34.9178.1-73.7175.1-178.800113.3K259 Q286 V287E254-K259 VanDerWaalsContact O-CE 3.22Å; E254-K259 WeakPolarHBondContact O-CE 3.33Å; E254-Q286 HydrophobicContact CG-CG 3.88Å; E254-V287 WeakPolarHBondContact CG-O 3.35Å; E254-V287 PolarHBondContact N-O 2.93Å
255S90.4Very high85Confident60 Ų6055.3 Ų55.342%0.4229%0.286SS..EExtended strand (participates in β ladder)trans-109.233.3172.4-58.20000112.6A253 K259 G289A253-S255 PolarHBondContact O-N 3.24Å; S255-K259 PolarHBondContact OG-NZ 2.91Å; S255-G289 WeakPolarHBondContact CA-O 3.2Å; S255-G289 VanDerWaalsContact CB-O 3.27Å; S255-G289 WeakPolarHBondContact CB-O 3.46Å; S255-G289 PolarHBondContact N-O 3.16Å
256G85.2Confident84.1Confident4 Ų450.8 Ų50.84%0.04127%0.265CS..SBendtrans-91.5-152.5-175.700000115.8D142 A253 E258 K259D142-G256 WeakPolarHBondContact OD2-CA 3.42Å; A253-G256 WeakPolarHBondContact O-CA 3.33Å; A253-G256 PolarHBondContact O-N 3.25Å; G256-E258 VanDerWaalsContact C-N 3.25Å; G256-E258 PolarHBondContact O-N 3.31Å; G256-K259 WeakPolarHBondContact O-CB 3.4Å; G256-K259 PolarHBondContact O-N 3.35Å; G256-K259 VanDerWaalsContact O-N 3.12Å
257F81Confident83.4Confident17 Ų1755.5 Ų55.58%0.07529%0.285CS..G310 helixtrans-58.3-34-170.2-168-128.6000112.7D142 Y144 L147 K259 M260 F261 H291D142-F257 WeakPolarHBondContact OD2-CB 3.4Å; D142-F257 PolarHBondContact OD2-N 3.17Å; Y144-F257 AromaticContact CD2-CD1 3.97Å; Y144-F257 HydrophobicContact CD2-CD1 3.97Å; Y144-F257 HydrophobicContact CD2-CE1 4.27Å; Y144-F257 AromaticContact CE2-CD1 3.71Å; Y144-F257 HydrophobicContact CE2-CD1 3.71Å; Y144-F257 HydrophobicContact CE2-CE1 4.36Å; L147-F257 HydrophobicContact CD1-CE1 4.3Å; L147-F257 HydrophobicContact CD1-CZ 4.44Å; L147-F257 HydrophobicContact CD2-CZ 4.46Å; F257-K259 PolarHBondContact O-N 3.42Å; F257-M260 HydrophobicContact CD2-CE 4.31Å; F257-M260 HydrophobicContact CD2-CG 4.41Å; F257-M260 HydrophobicContact CD2-SD 3.65Å; F257-M260 HydrophobicContact CE2-SD 3.85Å; F257-M260 VanDerWaalsContact O-CB 3.24Å; F257-M260 WeakPolarHBondContact O-CB 3.46Å; F257-M260 WeakPolarHBondContact O-CG 3.01Å; F257-M260 PolarHBondContact O-N 3.36Å; F257-F261 AromaticContact CD1-CE2 3.65Å; F257-F261 HydrophobicContact CD1-CE2 3.65Å; F257-F261 HydrophobicContact CD1-CZ 4.45Å; F257-F261 HydrophobicContact CD2-CE2 4.09Å; F257-F261 AromaticContact CE1-CE2 3.36Å; F257-F261 HydrophobicContact CE1-CE2 3.36Å; F257-F261 AromaticContact CE1-CZ 3.77Å; F257-F261 HydrophobicContact CE1-CZ 3.77Å; F257-F261 AromaticContact CE2-CE2 3.84Å; F257-F261 HydrophobicContact CE2-CE2 3.84Å; F257-F261 AromaticContact CE2-CZ 3.85Å; F257-F261 HydrophobicContact CE2-CZ 3.85Å; F257-F261 AromaticContact CG-CE2 3.99Å; F257-F261 HydrophobicContact CG-CE2 3.99Å; F257-F261 AromaticContact CZ-CE2 3.46Å; F257-F261 HydrophobicContact CZ-CE2 3.46Å; F257-F261 VanDerWaalsContact CZ-CE2 3.46Å; F257-F261 AromaticContact CZ-CZ 3.42Å; F257-F261 HydrophobicContact CZ-CZ 3.42Å; F257-F261 VanDerWaalsContact CZ-CZ 3.42Å; F257-F261 WeakPolarHBondContact O-CD2 3.29Å; F257-H291 AromaticContact CD2-CE1 3.57Å; F257-H291 AromaticContact CG-CE1 3.89Å
258E79Confident82.9Confident74 Ų7460.9 Ų60.935%0.34631%0.307SS..G310 helixtrans-56.2-36.3178.7-162.5-176.7152.700112.4Y144 G256 M260 F261 A262Y144-E258 WeakPolarHBondContact OH-CB 3.42Å; G256-E258 VanDerWaalsContact C-N 3.25Å; G256-E258 PolarHBondContact O-N 3.31Å; E258-M260 PolarHBondContact O-N 3.46Å; E258-M260 VanDerWaalsContact O-N 3.16Å; E258-F261 PolarHBondContact O-N 3.17Å; E258-A262 PolarHBondContact O-N 3.45Å
259K76.4Confident82.5Confident127 Ų12762.5 Ų62.555%0.55231%0.313SS*.G310 helixtrans-63-23.7179.1-70.7-171175.6172.20112.6E254 S255 G256 F257 F261E254-K259 VanDerWaalsContact O-CE 3.22Å; E254-K259 WeakPolarHBondContact O-CE 3.33Å; S255-K259 PolarHBondContact OG-NZ 2.91Å; G256-K259 WeakPolarHBondContact O-CB 3.4Å; G256-K259 PolarHBondContact O-N 3.35Å; G256-K259 VanDerWaalsContact O-N 3.12Å; F257-K259 PolarHBondContact O-N 3.42Å; K259-F261 PolarHBondContact O-N 2.85Å
260M70.3Confident82.1Confident120 Ų12062.6 Ų62.659%0.59131%0.313SS*.G310 helixtrans-66.3-19.9174.3-57.2-169.9-178.600112.5F257 E258F257-M260 HydrophobicContact CD2-CE 4.31Å; F257-M260 HydrophobicContact CD2-CG 4.41Å; F257-M260 HydrophobicContact CD2-SD 3.65Å; F257-M260 HydrophobicContact CE2-SD 3.85Å; F257-M260 VanDerWaalsContact O-CB 3.24Å; F257-M260 WeakPolarHBondContact O-CB 3.46Å; F257-M260 WeakPolarHBondContact O-CG 3.01Å; F257-M260 PolarHBondContact O-N 3.36Å; E258-M260 PolarHBondContact O-N 3.46Å; E258-M260 VanDerWaalsContact O-N 3.16Å
261F70.4Confident81.8Confident19 Ų1965.4 Ų65.48%0.08333%0.333CS..G310 helixtrans-112.72.3-175.5-53.9-64.2000114.2L147 F257 E258 K259 K263 S264 Q266L147-F261 HydrophobicContact CD1-CE1 4.31Å; L147-F261 HydrophobicContact CD1-CE2 4.36Å; L147-F261 HydrophobicContact CD1-CZ 3.84Å; F257-F261 AromaticContact CD1-CE2 3.65Å; F257-F261 HydrophobicContact CD1-CE2 3.65Å; F257-F261 HydrophobicContact CD1-CZ 4.45Å; F257-F261 HydrophobicContact CD2-CE2 4.09Å; F257-F261 AromaticContact CE1-CE2 3.36Å; F257-F261 HydrophobicContact CE1-CE2 3.36Å; F257-F261 AromaticContact CE1-CZ 3.77Å; F257-F261 HydrophobicContact CE1-CZ 3.77Å; F257-F261 AromaticContact CE2-CE2 3.84Å; F257-F261 HydrophobicContact CE2-CE2 3.84Å; F257-F261 AromaticContact CE2-CZ 3.85Å; F257-F261 HydrophobicContact CE2-CZ 3.85Å; F257-F261 AromaticContact CG-CE2 3.99Å; F257-F261 HydrophobicContact CG-CE2 3.99Å; F257-F261 AromaticContact CZ-CE2 3.46Å; F257-F261 HydrophobicContact CZ-CE2 3.46Å; F257-F261 VanDerWaalsContact CZ-CE2 3.46Å; F257-F261 AromaticContact CZ-CZ 3.42Å; F257-F261 HydrophobicContact CZ-CZ 3.42Å; F257-F261 VanDerWaalsContact CZ-CZ 3.42Å; F257-F261 WeakPolarHBondContact O-CD2 3.29Å; E258-F261 PolarHBondContact O-N 3.17Å; K259-F261 PolarHBondContact O-N 2.85Å; F261-K263 PolarHBondContact O-N 2.77Å; F261-S264 PolarHBondContact O-N 2.96Å; F261-S264 PolarHBondContact O-OG 3.04Å; F261-Q266 HydrophobicContact CB-CB 4.34Å; F261-Q266 HydrophobicContact CD1-CB 3.94Å; F261-Q266 HydrophobicContact CD1-CG 4.45Å; F261-Q266 HydrophobicContact CG-CB 4.33Å
262A63.7Low81.6Confident63 Ų6366.9 Ų66.952%0.52135%0.345SS..THydrogen-bonded Turntrans-57-17.7-171.700000115.2E258E258-A262 PolarHBondContact O-N 3.45Å
263K59.7Low81.5Confident213 Ų21366.2 Ų66.293%0.92634%0.342SS*.THydrogen-bonded Turntrans-116.717.9-178.3-60.1-175179.6-1790113.9F261F261-K263 PolarHBondContact O-N 2.77Å
264S68.4Low81.4Confident40 Ų4067.1 Ų67.128%0.2835%0.346SS..SBendtrans-131.3153.7-172.265.50000112.5F261 Q266 K267F261-S264 PolarHBondContact O-N 2.96Å; F261-S264 PolarHBondContact O-OG 3.04Å; S264-Q266 PolarHBondContact O-N 3.3Å; S264-Q266 WeakPolarHBondContact OG-CB 3.32Å; S264-K267 WeakPolarHBondContact O-CB 3.11Å; S264-K267 PolarHBondContact O-N 3.08Å
265D71.6Confident81.5Confident114 Ų11466.5 Ų66.561%0.6134%0.343SS*.THydrogen-bonded Turntrans-57.3-17.4171.6-57.7-18.4000112.1K267 E268D265-K267 PolarHBondContact O-N 3.14Å; D265-K267 VanDerWaalsContact O-N 3.16Å; D265-E268 PolarHBondContact O-N 3.21Å; D265-E268 VanDerWaalsContact O-N 3.16Å
266Q77.8Confident81.8Confident52 Ų5264.5 Ų64.524%0.24333%0.33CS..Hα-helixtrans-59.8-23.6171.5-61.2-173.7-60.100112.7F261 S264 E268 Y269 I270F261-Q266 HydrophobicContact CB-CB 4.34Å; F261-Q266 HydrophobicContact CD1-CB 3.94Å; F261-Q266 HydrophobicContact CD1-CG 4.45Å; F261-Q266 HydrophobicContact CG-CB 4.33Å; S264-Q266 PolarHBondContact O-N 3.3Å; S264-Q266 WeakPolarHBondContact OG-CB 3.32Å; Q266-E268 VanDerWaalsContact C-N 3.3Å; Q266-E268 PolarHBondContact O-N 2.81Å; Q266-Y269 PolarHBondContact O-N 3.21Å; Q266-I270 WeakPolarHBondContact O-CG1 3.4Å; Q266-I270 PolarHBondContact O-N 3.42Å
267K82.3Confident82.3Confident104 Ų10464.4 Ų64.445%0.45233%0.328SS..Hα-helixtrans-59.9-40.8175.8-172180-179.2-177.50111.7S264 D265 Y269 I270 S271S264-K267 WeakPolarHBondContact O-CB 3.11Å; S264-K267 PolarHBondContact O-N 3.08Å; D265-K267 PolarHBondContact O-N 3.14Å; D265-K267 VanDerWaalsContact O-N 3.16Å; K267-Y269 VanDerWaalsContact C-N 3.34Å; K267-I270 PolarHBondContact O-N 3.42Å; K267-S271 WeakPolarHBondContact O-CB 3.47Å; K267-S271 PolarHBondContact O-N 3.29Å; K267-S271 PolarHBondContact O-OG 3.15Å
268E86.4Confident82.9Confident141 Ų14168.8 Ų68.866%0.65935%0.347SS*.Hα-helixtrans-65.6-41.2178.4-64.8-174.317100110.7D265 Q266 S271 A272D265-E268 PolarHBondContact O-N 3.21Å; D265-E268 VanDerWaalsContact O-N 3.16Å; Q266-E268 VanDerWaalsContact C-N 3.3Å; Q266-E268 PolarHBondContact O-N 2.81Å; E268-S271 WeakPolarHBondContact O-CB 3.28Å; E268-S271 PolarHBondContact O-N 3.33Å; E268-A272 PolarHBondContact O-N 2.85Å
269Y89.6Confident83.6Confident38 Ų3870.3 Ų70.315%0.14936%0.358CS..Hα-helixtrans-67.9-41.2178.5-57.7-18000112.8P148 D150 L234 Q266 K267 S271 A272 V273P148-Y269 HydrophobicContact CB-CD2 4.22Å; P148-Y269 HydrophobicContact CB-CG 4.49Å; P148-Y269 VanDerWaalsContact CG-CB 3.48Å; P148-Y269 HydrophobicContact CG-CD2 4.31Å; P148-Y269 HydrophobicContact CG-CG 4.28Å; D150-Y269 HydrophobicContact CB-CE2 3.94Å; D150-Y269 WeakPolarHBondContact CB-OH 3.32Å; L234-Y269 HydrophobicContact CB-CD1 4.4Å; L234-Y269 HydrophobicContact CB-CG 4.5Å; L234-Y269 HydrophobicContact CD2-CD1 3.84Å; L234-Y269 HydrophobicContact CD2-CE1 4.43Å; L234-Y269 HydrophobicContact CD2-CG 4.46Å; Q266-Y269 PolarHBondContact O-N 3.21Å; K267-Y269 VanDerWaalsContact C-N 3.34Å; Y269-S271 VanDerWaalsContact C-N 3.3Å; Y269-S271 PolarHBondContact O-N 2.81Å; Y269-A272 PolarHBondContact O-N 3.45Å; Y269-V273 WeakPolarHBondContact O-CG2 3.35Å; Y269-V273 PolarHBondContact O-N 3.16Å
270I88.9Confident84.4Confident4 Ų469.1 Ų69.12%0.02135%0.35CS..Hα-helixtrans-63.8-39.3174.3-67.9-52.5000110.8Y144 L147 Q266 K267 A272 V273 L274Y144-I270 HydrophobicContact CD1-CG2 4.01Å; Y144-I270 HydrophobicContact CD2-CD1 3.68Å; Y144-I270 HydrophobicContact CD2-CG1 4.42Å; Y144-I270 HydrophobicContact CD2-CG2 3.97Å; Y144-I270 HydrophobicContact CE1-CG2 3.6Å; Y144-I270 HydrophobicContact CE2-CD1 4.07Å; Y144-I270 HydrophobicContact CE2-CG1 4.32Å; Y144-I270 HydrophobicContact CE2-CG2 3.51Å; Y144-I270 HydrophobicContact CG-CD1 4.18Å; Y144-I270 HydrophobicContact CG-CG2 4.18Å; L147-I270 HydrophobicContact CD1-CD1 4.09Å; Q266-I270 WeakPolarHBondContact O-CG1 3.4Å; Q266-I270 PolarHBondContact O-N 3.42Å; K267-I270 PolarHBondContact O-N 3.42Å; I270-A272 VanDerWaalsContact C-N 3.32Å; I270-A272 PolarHBondContact O-N 2.82Å; I270-V273 PolarHBondContact O-N 2.96Å; I270-L274 HydrophobicContact CG2-CD1 4.18Å; I270-L274 HydrophobicContact CG2-CG 4.47Å; I270-L274 WeakPolarHBondContact O-CB 3.16Å; I270-L274 WeakPolarHBondContact O-CG 3.48Å; I270-L274 PolarHBondContact O-N 3.14Å
271S91.2Very high85.3Confident59 Ų5971.8 Ų71.841%0.41336%0.36SS..Hα-helixtrans-60.7-42.2175.2-57.40000111.6K267 E268 Y269 L274 Q275K267-S271 WeakPolarHBondContact O-CB 3.47Å; K267-S271 PolarHBondContact O-N 3.29Å; K267-S271 PolarHBondContact O-OG 3.15Å; E268-S271 WeakPolarHBondContact O-CB 3.28Å; E268-S271 PolarHBondContact O-N 3.33Å; Y269-S271 VanDerWaalsContact C-N 3.3Å; Y269-S271 PolarHBondContact O-N 2.81Å; S271-L274 PolarHBondContact O-N 3.08Å; S271-Q275 WeakPolarHBondContact O-CB 3.24Å; S271-Q275 PolarHBondContact O-N 2.93Å
272A94.4Very high86.3Confident32 Ų3272.2 Ų72.226%0.26436%0.364SS..Hα-helixtrans-65.2-42.9176.200000112.6L234 E268 Y269 I270 L274 Q275 A276L234-A272 HydrophobicContact CD1-CB 3.99Å; L234-A272 HydrophobicContact CD2-CB 3.94Å; E268-A272 PolarHBondContact O-N 2.85Å; Y269-A272 PolarHBondContact O-N 3.45Å; I270-A272 VanDerWaalsContact C-N 3.32Å; I270-A272 PolarHBondContact O-N 2.82Å; A272-L274 VanDerWaalsContact C-N 3.35Å; A272-Q275 PolarHBondContact O-N 3.1Å; A272-A276 PolarHBondContact O-N 2.85Å
273V94.9Very high87.9Confident0 Ų072.1 Ų72.10%036%0.357CS..Hα-helixtrans-62.2-43.3175.1171.70000111P148 L234 L241 Y269 I270 Q275 A276 Y277P148-V273 HydrophobicContact CG-CG2 4.24Å; L234-V273 HydrophobicContact CD1-CG2 3.95Å; L241-V273 HydrophobicContact CD1-CG1 3.99Å; Y269-V273 WeakPolarHBondContact O-CG2 3.35Å; Y269-V273 PolarHBondContact O-N 3.16Å; I270-V273 PolarHBondContact O-N 2.96Å; V273-Q275 VanDerWaalsContact C-N 3.35Å; V273-Q275 PolarHBondContact O-N 3.47Å; V273-A276 PolarHBondContact O-N 3.01Å; V273-Y277 HydrophobicContact CG1-CD2 4.09Å; V273-Y277 HydrophobicContact CG1-CE2 3.7Å; V273-Y277 VanDerWaalsContact O-CD2 3.27Å; V273-Y277 WeakPolarHBondContact O-CD2 3.47Å; V273-Y277 PolarHBondContact O-N 3.44Å; V273-Y277 VanDerWaalsContact O-N 3.15Å
274L94.1Very high89.6Confident23 Ų2364.1 Ų64.112%0.1233%0.326CS..Hα-helixtrans-62-41.9175.9-80.9174.9000112.8Y144 L250 L252 I270 S271 A272 A276 Y277 K278 V284Y144-L274 HydrophobicContact CD1-CD1 4.36Å; Y144-L274 HydrophobicContact CD1-CD2 3.63Å; Y144-L274 HydrophobicContact CD1-CG 3.76Å; Y144-L274 HydrophobicContact CE1-CD1 3.71Å; Y144-L274 HydrophobicContact CE1-CD2 3.59Å; Y144-L274 HydrophobicContact CE1-CG 3.62Å; L250-L274 HydrophobicContact CD2-CD2 4.02Å; L252-L274 HydrophobicContact CD1-CD1 4.45Å; L252-L274 HydrophobicContact CD1-CD2 3.88Å; I270-L274 HydrophobicContact CG2-CD1 4.18Å; I270-L274 HydrophobicContact CG2-CG 4.47Å; I270-L274 WeakPolarHBondContact O-CB 3.16Å; I270-L274 WeakPolarHBondContact O-CG 3.48Å; I270-L274 PolarHBondContact O-N 3.14Å; S271-L274 PolarHBondContact O-N 3.08Å; A272-L274 VanDerWaalsContact C-N 3.35Å; L274-A276 VanDerWaalsContact C-N 3.32Å; L274-Y277 PolarHBondContact O-N 2.93Å; L274-K278 WeakPolarHBondContact O-CG 3.39Å; L274-K278 PolarHBondContact O-N 2.91Å; L274-V284 HydrophobicContact CD2-CG1 4.3Å
275Q95.6Very high91Very high93 Ų9364.2 Ų64.244%0.43532%0.324SS..Hα-helixtrans-62.2-42.8176.4-169.258.146.300110.9S271 A272 V273 Y277 K278 D279S271-Q275 WeakPolarHBondContact O-CB 3.24Å; S271-Q275 PolarHBondContact O-N 2.93Å; A272-Q275 PolarHBondContact O-N 3.1Å; V273-Q275 VanDerWaalsContact C-N 3.35Å; V273-Q275 PolarHBondContact O-N 3.47Å; Q275-Y277 VanDerWaalsContact C-N 3.31Å; Q275-Y277 PolarHBondContact O-N 2.76Å; Q275-K278 WeakPolarHBondContact O-CB 3.31Å; Q275-K278 PolarHBondContact O-N 3.14Å; Q275-D279 PolarHBondContact NE2-OD1 2.69Å; Q275-D279 VanDerWaalsContact O-CG 3.23Å; Q275-D279 PolarHBondContact O-N 3.3Å
276A96.3Very high92.2Very high18 Ų1864.5 Ų64.515%0.14932%0.322CS..Hα-helixtrans-61.3-35.4177.500000113.4L238 L241 A272 V273 L274 R280L238-A276 HydrophobicContact CD2-CB 3.64Å; L241-A276 HydrophobicContact CD1-CB 4.02Å; L241-A276 HydrophobicContact CD2-CB 4Å; A272-A276 PolarHBondContact O-N 2.85Å; V273-A276 PolarHBondContact O-N 3.01Å; L274-A276 VanDerWaalsContact C-N 3.32Å; A276-R280 WeakPolarHBondContact O-CG 3.24Å; A276-R280 PolarHBondContact O-N 2.69Å
277Y95.9Very high93.1Very high1 Ų162.3 Ų62.30%0.00431%0.312CS..Hα-helixtrans-65-43.4171.5-78.6-66.6000112.2Y144 L241 V248 L250 V273 L274 Q275 R280 N282Y144-Y277 WeakPolarHBondContact O-CE2 3.24Å; Y144-Y277 PolarHBondContact O-OH 2.76Å; L241-Y277 HydrophobicContact CD1-CD1 4.19Å; L241-Y277 HydrophobicContact CD1-CD2 3.81Å; L241-Y277 HydrophobicContact CD1-CE1 3.93Å; L241-Y277 HydrophobicContact CD1-CE2 3.53Å; L241-Y277 HydrophobicContact CD1-CG 4.13Å; L241-Y277 HydrophobicContact CD2-CD1 4.49Å; L241-Y277 HydrophobicContact CG-CD1 4.4Å; L241-Y277 HydrophobicContact CG-CE1 4.01Å; L241-Y277 HydrophobicContact CG-CE2 4.46Å; V248-Y277 HydrophobicContact CB-CD1 4.49Å; V248-Y277 HydrophobicContact CB-CE1 4.43Å; V248-Y277 HydrophobicContact CG1-CD1 4.33Å; V248-Y277 HydrophobicContact CG1-CE1 3.97Å; V248-Y277 HydrophobicContact CG2-CE1 4.34Å; L250-Y277 HydrophobicContact CD1-CD1 3.67Å; L250-Y277 HydrophobicContact CD1-CD2 3.89Å; L250-Y277 HydrophobicContact CD1-CE1 3.9Å; L250-Y277 HydrophobicContact CD1-CE2 4.09Å; L250-Y277 HydrophobicContact CD1-CG 3.67Å; L250-Y277 HydrophobicContact CD2-CD2 3.66Å; L250-Y277 HydrophobicContact CD2-CE2 3.8Å; L250-Y277 HydrophobicContact CD2-CG 4.24Å; L250-Y277 HydrophobicContact CG-CD2 4.45Å; V273-Y277 HydrophobicContact CG1-CD2 4.09Å; V273-Y277 HydrophobicContact CG1-CE2 3.7Å; V273-Y277 VanDerWaalsContact O-CD2 3.27Å; V273-Y277 WeakPolarHBondContact O-CD2 3.47Å; V273-Y277 PolarHBondContact O-N 3.44Å; V273-Y277 VanDerWaalsContact O-N 3.15Å; L274-Y277 PolarHBondContact O-N 2.93Å; Q275-Y277 VanDerWaalsContact C-N 3.31Å; Q275-Y277 PolarHBondContact O-N 2.76Å; Y277-R280 PolarHBondContact O-N 2.74Å; Y277-N282 HydrophobicContact CD1-CB 4.28Å; Y277-N282 WeakPolarHBondContact O-CB 3.35Å; Y277-N282 PolarHBondContact O-N 3.08Å; Y277-N282 VanDerWaalsContact O-N 3.08Å; Y277-N282 PolarHBondContact O-ND2 2.78Å; Y277-N282 VanDerWaalsContact O-ND2 3.15Å
278K93.8Very high93.8Very high110 Ų11061 Ų6148%0.47831%0.314SS..Hα-helixtrans-64.8-42.1179.5-69174.4-178.1177.70112.1L274 Q275 R280 H281 V284L274-K278 WeakPolarHBondContact O-CG 3.39Å; L274-K278 PolarHBondContact O-N 2.91Å; Q275-K278 WeakPolarHBondContact O-CB 3.31Å; Q275-K278 PolarHBondContact O-N 3.14Å; K278-R280 PolarHBondContact O-N 2.94Å; K278-H281 WeakPolarHBondContact O-CA 3.41Å; K278-H281 PolarHBondContact O-N 2.84Å; K278-V284 HydrophobicContact CG-CG2 4.26Å
279D94.5Very high94.3Very high105 Ų10555.4 Ų55.456%0.56130%0.295SS*.Hα-helixtrans-63.5-26.4179-65.5-15.3000112.1Q275 H281Q275-D279 PolarHBondContact NE2-OD1 2.69Å; Q275-D279 VanDerWaalsContact O-CG 3.23Å; Q275-D279 PolarHBondContact O-N 3.3Å; D279-H281 VanDerWaalsContact C-N 3.3Å
280R92.5Very high94.5Very high102 Ų10255.1 Ų55.139%0.38530%0.296SS..THydrogen-bonded Turntrans-89.812.8173.8-66.2176.169.793.2-8.8113.5S242 I244 A276 Y277 K278 N282S242-R280 VanDerWaalsContact O-CZ 3.27Å; S242-R280 PolarHBondContact O-NH1 3.3Å; S242-R280 PolarHBondContact O-NH2 3.44Å; I244-R280 PolarHBondContact O-NH2 2.83Å; A276-R280 WeakPolarHBondContact O-CG 3.24Å; A276-R280 PolarHBondContact O-N 2.69Å; Y277-R280 PolarHBondContact O-N 2.74Å; K278-R280 PolarHBondContact O-N 2.94Å; R280-N282 WeakPolarHBondContact CB-ND2 3.49Å; R280-N282 PolarHBondContact O-N 3.24Å
281H88.8Confident94.9Very high176 Ų17655.5 Ų55.582%0.81530%0.298SS*.THydrogen-bonded Turntrans56.929.4-179-55.4-66.7000114.7K278 D279K278-H281 WeakPolarHBondContact O-CA 3.41Å; K278-H281 PolarHBondContact O-N 2.84Å; D279-H281 VanDerWaalsContact C-N 3.3Å
282N93Very high95.2Very high28 Ų2853 Ų5315%0.1528%0.279CS..  trans-74.2154172.1-66.6-64.9000111.3V248 Y277 R280 V284V248-N282 HydrophobicContact CB-CB 4.05Å; V248-N282 VanDerWaalsContact CB-OD1 3.31Å; V248-N282 WeakPolarHBondContact CB-OD1 3.36Å; V248-N282 WeakPolarHBondContact CG2-OD1 3.29Å; V248-N282 PolarHBondContact N-OD1 2.93Å; Y277-N282 HydrophobicContact CD1-CB 4.28Å; Y277-N282 WeakPolarHBondContact O-CB 3.35Å; Y277-N282 PolarHBondContact O-N 3.08Å; Y277-N282 VanDerWaalsContact O-N 3.08Å; Y277-N282 PolarHBondContact O-ND2 2.78Å; Y277-N282 VanDerWaalsContact O-ND2 3.15Å; R280-N282 WeakPolarHBondContact CB-ND2 3.49Å; R280-N282 PolarHBondContact O-N 3.24Å; N282-V284 PolarHBondContact O-N 3.41Å
283T95.8Very high95.3Very high62 Ų6251.5 Ų51.538%0.3827%0.267SS..EExtended strand (participates in β ladder)trans-81.3118.2179.6-52.10000109.4V248 L249 L250 V285V248-T283 PolarHBondContact O-N 3.16Å; L249-T283 CarbonylContact C-O 3.57Å; L249-T283 WeakPolarHBondContact CA-O 3.47Å; L249-T283 HydrophobicContact CD1-CG2 3.61Å; L250-T283 PolarHBondContact N-O 3.16Å; T283-V285 HydrophobicContact CG2-CG2 3.93Å
284V96.4Very high95.5Very high45 Ų4551.5 Ų51.527%0.27327%0.267SS..EExtended strand (participates in β ladder)trans-120.6119.9175.5-174.90000108.2L250 L252 L274 K278 N282L250-V284 HydrophobicContact CB-CB 4.48Å; L250-V284 HydrophobicContact CB-CG1 4.2Å; L250-V284 HydrophobicContact CB-CG2 4.26Å; L250-V284 HydrophobicContact CD1-CG2 4.46Å; L250-V284 WeakPolarHBondContact O-CA 3.42Å; L252-V284 HydrophobicContact CD1-CG1 4.13Å; L274-V284 HydrophobicContact CD2-CG1 4.3Å; K278-V284 HydrophobicContact CG-CG2 4.26Å; N282-V284 PolarHBondContact O-N 3.41Å
285V96.9Very high95.7Very high41 Ų4150.6 Ų50.625%0.24826%0.262CS..EExtended strand (participates in β ladder)trans-126.4136.8-177.2-174.90000109.4L249 L250 V251 L252 T283 V287 L304L249-V285 HydrophobicContact CD1-CG2 4.18Å; L250-V285 PolarHBondContact O-N 2.97Å; V251-V285 CarbonylContact C-O 3.49Å; V251-V285 WeakPolarHBondContact CA-O 3.47Å; L252-V285 PolarHBondContact N-O 3.19Å; T283-V285 HydrophobicContact CG2-CG2 3.93Å; V285-V287 HydrophobicContact CG1-CG1 4.1Å; V285-L304 HydrophobicContact CB-CD1 4.41Å; V285-L304 HydrophobicContact CG1-CD1 3.87Å
286Q97.1Very high95.8Very high120 Ų12047.2 Ų47.256%0.56125%0.247SC*.EExtended strand (participates in β ladder)trans-100.4139.1169.1-168.4170.235.300109.6L252 E254L252-Q286 CarbonylContact O-C 3.5Å; L252-Q286 VanDerWaalsContact O-CA 3.24Å; L252-Q286 WeakPolarHBondContact O-CA 3.15Å; E254-Q286 HydrophobicContact CG-CG 3.88Å
287V97.7Very high95.9Very high7 Ų749.2 Ų49.24%0.04226%0.255CS..EExtended strand (participates in β ladder)trans-132.3150.1-177.2-61.30000111.8V251 L252 A253 E254 V285 V293 V300 V301 L304V251-V287 HydrophobicContact CG1-CB 4.45Å; V251-V287 HydrophobicContact CG1-CG1 3.86Å; V251-V287 HydrophobicContact CG1-CG2 3.69Å; L252-V287 PolarHBondContact O-N 2.91Å; A253-V287 CarbonylContact C-O 3.56Å; A253-V287 WeakPolarHBondContact CA-O 3.17Å; E254-V287 WeakPolarHBondContact CG-O 3.35Å; E254-V287 PolarHBondContact N-O 2.93Å; V285-V287 HydrophobicContact CG1-CG1 4.1Å; V287-V293 HydrophobicContact CG2-CG1 4.42Å; V287-V293 HydrophobicContact CG2-CG2 4.39Å; V287-V300 HydrophobicContact CB-CG1 3.61Å; V287-V300 HydrophobicContact CG1-CG1 4.16Å; V287-V300 HydrophobicContact CG2-CG1 4.06Å; V287-V301 HydrophobicContact CG2-CG1 4.2Å; V287-L304 HydrophobicContact CG1-CD1 3.65Å
288P97.2Very high96Very high75 Ų7549.8 Ų49.849%0.48726%0.259SS..EExtended strand (participates in β ladder)trans-64.3140.8172.228-35000110.4V300P288-V300 HydrophobicContact CG-CG1 4.09Å
289G95Very high96.2Very high25 Ų2549.5 Ų49.526%0.25826%0.26SS..EExtended strand (participates in β ladder)trans135.7-164.1177.600000113.4S255S255-G289 WeakPolarHBondContact CA-O 3.2Å; S255-G289 VanDerWaalsContact CB-O 3.27Å; S255-G289 WeakPolarHBondContact CB-O 3.46Å; S255-G289 PolarHBondContact N-O 3.16Å
290D95.1Very high96.4Very high31 Ų3146.5 Ų46.517%0.16625%0.245CC..EExtended strand (participates in β ladder)trans-119.9-175.8-175.163.368.4000112.4A253 H292 V293 N296A253-D290 WeakPolarHBondContact CB-O 3.5Å; D290-H292 PolarHBondContact O-N 3.3Å; D290-H292 VanDerWaalsContact O-N 3.08Å; D290-H292 WeakPolarHBondContact OD1-CA 3.4Å; D290-H292 PolarHBondContact OD1-N 3.19Å; D290-V293 WeakPolarHBondContact O-CB 3.19Å; D290-V293 PolarHBondContact O-N 3.48Å; D290-V293 PolarHBondContact OD1-N 3.42Å; D290-N296 PolarHBondContact OD1-ND2 2.58Å; D290-N296 PolarHBondContact OD2-ND2 3.17Å
291H96.4Very high96.7Very high13 Ų1341.7 Ų41.76%0.0623%0.227CC..THydrogen-bonded Turntrans-57.3-25.8-177.9-171.750.8000114.6H117 S118 D142 F257H117-H291 AromaticContact NE2-CE1 3.93Å; H117-H291 AromaticContact NE2-NE2 3.89Å; H117-H291 PolarHBondContact NE2-O 2.74Å; S118-H291 VanDerWaalsContact CB-CE1 3.46Å; S118-H291 WeakPolarHBondContact CB-CE1 3.28Å; S118-H291 VanDerWaalsContact CB-NE2 3.31Å; S118-H291 WeakPolarHBondContact CB-NE2 3.46Å; S118-H291 PolarHBondContact OG-CE1 3.44Å; S118-H291 VanDerWaalsContact OG-CE1 3.29Å; S118-H291 PolarHBondContact OG-NE2 3.01Å; D142-H291 PolarHBondContact O-CE1 3.16Å; D142-H291 VanDerWaalsContact OD2-CA 3.29Å; D142-H291 WeakPolarHBondContact OD2-CA 3.47Å; D142-H291 IonicContact OD2-CE1 3.91Å; D142-H291 IonicContact OD2-CG 2.74Å; D142-H291 IonicContact OD2-ND1 3.82Å; D142-H291 PolarHBondContact OD2-ND1 2.88Å; F257-H291 AromaticContact CD2-CE1 3.57Å; F257-H291 AromaticContact CG-CE1 3.89Å
292H97.6Very high97.1Very high5 Ų533.6 Ų33.62%0.02319%0.19CC..THydrogen-bonded Turntrans-108.832177.2-70.277.6000111.5D53 H117 S195 L196 D290 H294 L295 N296D53-H292 IonicContact OD1-NE2 3.72Å; D53-H292 IonicContact OD2-NE2 3.57Å; D53-H292 PolarHBondContact OD2-NE2 3.34Å; H117-H292 AromaticContact CE1-CD2 3.82Å; H117-H292 AromaticContact CE1-NE2 3.75Å; S195-H292 PolarHBondContact OG-CE1 2.97Å; S195-H292 PolarHBondContact OG-ND1 2.81Å; L196-H292 HydrophobicContact CD2-CB 4.05Å; D290-H292 PolarHBondContact O-N 3.3Å; D290-H292 VanDerWaalsContact O-N 3.08Å; D290-H292 WeakPolarHBondContact OD1-CA 3.4Å; D290-H292 PolarHBondContact OD1-N 3.19Å; H292-H294 PolarHBondContact O-N 2.97Å; H292-H294 VanDerWaalsContact O-N 3.1Å; H292-L295 HydrophobicContact CB-CB 4.35Å; H292-L295 CarbonylContact O-C 2.99Å; H292-L295 WeakPolarHBondContact O-CA 3.37Å; H292-L295 PolarHBondContact O-N 3.02Å; H292-N296 PolarHBondContact O-N 3.4Å
293V97.8Very high97.4Very high2 Ų236 Ų361%0.01221%0.207CC..Hα-helixtrans-50.6-36.7179.162.80000112.7A253 V287 D290 L295 N297 V300 V301A253-V293 HydrophobicContact CB-CB 4.46Å; A253-V293 HydrophobicContact CB-CG1 4.21Å; V287-V293 HydrophobicContact CG2-CG1 4.42Å; V287-V293 HydrophobicContact CG2-CG2 4.39Å; D290-V293 WeakPolarHBondContact O-CB 3.19Å; D290-V293 PolarHBondContact O-N 3.48Å; D290-V293 PolarHBondContact OD1-N 3.42Å; V293-L295 PolarHBondContact O-N 3.37Å; V293-N297 HydrophobicContact CG2-CB 4.26Å; V293-N297 CarbonylContact O-C 3.59Å; V293-N297 WeakPolarHBondContact O-CA 3.44Å; V293-N297 PolarHBondContact O-N 3.12Å; V293-N297 VanDerWaalsContact O-O 3.13Å; V293-V300 HydrophobicContact CG2-CB 4.19Å; V293-V300 HydrophobicContact CG2-CG1 4.31Å; V293-V301 HydrophobicContact CG1-CG1 3.84Å; V293-V301 HydrophobicContact CG2-CG1 4.04Å
294H98.5Very high97.5Very high0 Ų035.3 Ų35.30%020%0.201CC..Hα-helixtrans-67.1-22.5177.366.4-63.3000114T57 T60 L61 H117 L141 H292 P298 V301T57-H294 PolarHBondContact OG1-NE2 2.92Å; T60-H294 PolarHBondContact OG1-O 3.1Å; L61-H294 HydrophobicContact CD2-CB 4.07Å; H117-H294 AromaticContact CD2-CE1 3.15Å; H117-H294 PolarHBondContact CD2-CE1 3.37Å; H117-H294 AromaticContact CD2-ND1 3.55Å; H117-H294 AromaticContact CD2-NE2 3.92Å; H117-H294 AromaticContact CE1-CE1 3.55Å; H117-H294 AromaticContact CG-CE1 3.27Å; H117-H294 AromaticContact CG-NE2 3.6Å; H117-H294 AromaticContact ND1-CE1 3.56Å; H117-H294 AromaticContact ND1-NE2 3.86Å; H117-H294 AromaticContact NE2-CE1 3.33Å; H117-H294 PolarHBondContact NE2-CE1 3.41Å; H117-H294 VanDerWaalsContact NE2-CE1 3.33Å; H117-H294 AromaticContact NE2-ND1 3.91Å; L141-H294 HydrophobicContact CD1-CB 3.79Å; H292-H294 PolarHBondContact O-N 2.97Å; H292-H294 VanDerWaalsContact O-N 3.1Å; H294-P298 WeakPolarHBondContact O-CB 3.48Å; H294-V301 HydrophobicContact CB-CG2 4.06Å
295L98.4Very high97.6Very high3 Ų333.1 Ų33.12%0.01619%0.188CC..Hα-helixtrans-96-46.8177.5178.756.3000111T60 L196 I203 L204 H292 V293T60-L295 HydrophobicContact CG2-CD1 3.86Å; T60-L295 VanDerWaalsContact OG1-CA 3.29Å; T60-L295 WeakPolarHBondContact OG1-CA 3.36Å; T60-L295 PolarHBondContact OG1-O 2.92Å; L196-L295 HydrophobicContact CD2-CD2 3.9Å; I203-L295 HydrophobicContact CD1-CD1 4.22Å; I203-L295 HydrophobicContact CG2-CD1 4.14Å; L204-L295 HydrophobicContact CD1-CD2 4.12Å; L204-L295 HydrophobicContact CD2-CD2 4.22Å; L204-L295 HydrophobicContact CG-CD2 4.01Å; H292-L295 HydrophobicContact CB-CB 4.35Å; H292-L295 CarbonylContact O-C 2.99Å; H292-L295 WeakPolarHBondContact O-CA 3.37Å; H292-L295 PolarHBondContact O-N 3.02Å; V293-L295 PolarHBondContact O-N 3.37Å
296N98.1Very high97.7Very high22 Ų2232 Ų3212%0.11818%0.182CC..Hα-helixtrans-75.8-41.7-176.5-69.6-16.8000113.7S195 T197 S200 D290 H292S195-N296 PolarHBondContact O-ND2 3Å; T197-N296 HydrophobicContact CG2-CB 4.27Å; T197-N296 PolarHBondContact N-OD1 3.34Å; T197-N296 PolarHBondContact OG1-OD1 2.79Å; S200-N296 WeakPolarHBondContact CB-OD1 3.44Å; S200-N296 PolarHBondContact OG-OD1 3.44Å; D290-N296 PolarHBondContact OD1-ND2 2.58Å; D290-N296 PolarHBondContact OD2-ND2 3.17Å; H292-N296 PolarHBondContact O-N 3.4Å
297N97.8Very high97.6Very high60 Ų6031.7 Ų31.732%0.32118%0.181SC..  trans-137.957.6-172.3-68.5106.5000110.4V293 E299 V300V293-N297 HydrophobicContact CG2-CB 4.26Å; V293-N297 CarbonylContact O-C 3.59Å; V293-N297 WeakPolarHBondContact O-CA 3.44Å; V293-N297 PolarHBondContact O-N 3.12Å; V293-N297 VanDerWaalsContact O-O 3.13Å; N297-E299 WeakPolarHBondContact CA-OE1 3.27Å; N297-E299 WeakPolarHBondContact CA-OE2 3.49Å; N297-E299 WeakPolarHBondContact CB-OE1 3.4Å; N297-E299 PolarHBondContact ND2-OE1 3.12Å; N297-E299 PolarHBondContact O-N 3Å; N297-E299 VanDerWaalsContact O-N 3.08Å; N297-V300 HydrophobicContact CB-CG2 4.04Å; N297-V300 WeakPolarHBondContact O-CB 3.22Å; N297-V300 PolarHBondContact O-N 2.98Å
298P98.2Very high97.6Very high14 Ų1432.6 Ų32.69%0.09118%0.184CC..Hα-helixtrans-57.3-27.9-173.529.3-40.6000113L61 L64 H294 V300 V301 A302L61-P298 HydrophobicContact CB-CB 4.28Å; L61-P298 HydrophobicContact CD1-CB 4.29Å; L64-P298 HydrophobicContact CD1-CB 3.82Å; L64-P298 HydrophobicContact CD1-CG 3.86Å; H294-P298 WeakPolarHBondContact O-CB 3.48Å; P298-V300 PolarHBondContact O-N 3.45Å; P298-V301 WeakPolarHBondContact O-CG2 3.45Å; P298-V301 PolarHBondContact O-N 2.98Å; P298-V301 VanDerWaalsContact O-N 3.14Å; P298-A302 WeakPolarHBondContact O-CB 3.36Å; P298-A302 PolarHBondContact O-N 3.29Å
299E98.4Very high97.5Very high104 Ų10429.1 Ų29.149%0.48616%0.161SC..Hα-helixtrans-58.7-25.7176.767-74.7172.400113.7N297 P303N297-E299 WeakPolarHBondContact CA-OE1 3.27Å; N297-E299 WeakPolarHBondContact CA-OE2 3.49Å; N297-E299 WeakPolarHBondContact CB-OE1 3.4Å; N297-E299 PolarHBondContact ND2-OE1 3.12Å; N297-E299 PolarHBondContact O-N 3Å; N297-E299 VanDerWaalsContact O-N 3.08Å; E299-P303 WeakPolarHBondContact O-CD 3.35Å
300V98.1Very high97.4Very high42 Ų4231.8 Ų31.826%0.25517%0.167SC..Hα-helixtrans-73.7-36.4178.1176.50000111.2V287 P288 V293 N297 P298V287-V300 HydrophobicContact CB-CG1 3.61Å; V287-V300 HydrophobicContact CG1-CG1 4.16Å; V287-V300 HydrophobicContact CG2-CG1 4.06Å; P288-V300 HydrophobicContact CG-CG1 4.09Å; V293-V300 HydrophobicContact CG2-CB 4.19Å; V293-V300 HydrophobicContact CG2-CG1 4.31Å; N297-V300 HydrophobicContact CB-CG2 4.04Å; N297-V300 WeakPolarHBondContact O-CB 3.22Å; N297-V300 PolarHBondContact O-N 2.98Å; P298-V300 PolarHBondContact O-N 3.45Å
301V98.3Very high97Very high0 Ų034.6 Ų34.60%018%0.182CC..Hα-helixtrans-101.7-26.3-174.3-56.70000113.1L61 V251 V287 V293 H294 P298 L304 V305L61-V301 HydrophobicContact CD1-CG2 3.72Å; L61-V301 HydrophobicContact CD2-CG2 4.34Å; V251-V301 HydrophobicContact CG1-CB 4.5Å; V251-V301 HydrophobicContact CG1-CG1 3.79Å; V287-V301 HydrophobicContact CG2-CG1 4.2Å; V293-V301 HydrophobicContact CG1-CG1 3.84Å; V293-V301 HydrophobicContact CG2-CG1 4.04Å; H294-V301 HydrophobicContact CB-CG2 4.06Å; P298-V301 WeakPolarHBondContact O-CG2 3.45Å; P298-V301 PolarHBondContact O-N 2.98Å; P298-V301 VanDerWaalsContact O-N 3.14Å; V301-L304 PolarHBondContact O-N 3.37Å; V301-V305 WeakPolarHBondContact O-CG2 3.46Å; V301-V305 PolarHBondContact O-N 3.06Å
302A98.6Very high95.8Very high6 Ų637.9 Ų37.95%0.0520%0.196CC..Hα-helixtrans-57.1-42.9-175.600000113.8L61 L64 L65 P298 L304 V305 S306L61-A302 HydrophobicContact CD1-CB 3.82Å; L64-A302 HydrophobicContact CB-CB 3.66Å; L64-A302 HydrophobicContact CD1-CB 4.03Å; L65-A302 HydrophobicContact CD2-CB 4.1Å; P298-A302 WeakPolarHBondContact O-CB 3.36Å; P298-A302 PolarHBondContact O-N 3.29Å; A302-L304 PolarHBondContact O-N 2.71Å; A302-V305 PolarHBondContact O-N 3.03Å; A302-S306 VanDerWaalsContact O-CB 3.24Å; A302-S306 WeakPolarHBondContact O-CB 3.46Å; A302-S306 PolarHBondContact O-N 2.79Å; A302-S306 PolarHBondContact O-OG 3.28Å
303P98.4Very high94Very high78 Ų7838.3 Ų38.351%0.50620%0.2SC..Hα-helixtrans-61.8-45177.7-23.635.1000112.5E299 S306 E307E299-P303 WeakPolarHBondContact O-CD 3.35Å; P303-S306 PolarHBondContact O-N 3.04Å; P303-E307 WeakPolarHBondContact O-CB 3.36Å; P303-E307 PolarHBondContact O-N 2.89Å
304L98.2Very high92.2Very high48 Ų4843.4 Ų43.425%0.25123%0.227SC..Hα-helixtrans-62.2-46.2179.6-60.8172.5000111.5L249 V285 V287 V301 A302 F308L249-L304 HydrophobicContact CD2-CB 4.5Å; V285-L304 HydrophobicContact CB-CD1 4.41Å; V285-L304 HydrophobicContact CG1-CD1 3.87Å; V287-L304 HydrophobicContact CG1-CD1 3.65Å; V301-L304 PolarHBondContact O-N 3.37Å; A302-L304 PolarHBondContact O-N 2.71Å; L304-F308 VanDerWaalsContact O-CB 3.31Å; L304-F308 WeakPolarHBondContact O-CB 3.5Å; L304-F308 PolarHBondContact O-N 3.47Å; L304-F308 VanDerWaalsContact O-N 3.08Å
305V98.4Very high90.3Very high0 Ų046.5 Ų46.50%025%0.249CC..Hα-helixtrans-66.2-41.7178.5176.60000110.9L65 I115 V139 L141 V301 A302 F308 L309L65-V305 HydrophobicContact CD1-CG1 3.89Å; L65-V305 HydrophobicContact CD2-CB 4Å; L65-V305 HydrophobicContact CD2-CG1 3.88Å; I115-V305 HydrophobicContact CD1-CG1 4.03Å; V139-V305 HydrophobicContact CG1-CG1 4.48Å; V139-V305 HydrophobicContact CG1-CG2 3.92Å; L141-V305 HydrophobicContact CD2-CG2 4.22Å; V301-V305 WeakPolarHBondContact O-CG2 3.46Å; V301-V305 PolarHBondContact O-N 3.06Å; A302-V305 PolarHBondContact O-N 3.03Å; V305-F308 PolarHBondContact O-N 3.02Å; V305-L309 HydrophobicContact CG1-CD1 3.88Å; V305-L309 HydrophobicContact CG1-CG 4.32Å; V305-L309 WeakPolarHBondContact O-CB 3.38Å; V305-L309 VanDerWaalsContact O-CG 3.27Å; V305-L309 WeakPolarHBondContact O-CG 3.44Å; V305-L309 PolarHBondContact O-N 3.35Å
306S98.1Very high88.2Confident17 Ų1749.5 Ų49.512%0.11927%0.274CS..Hα-helixtrans-62.3-50.8179.8-59.70000111.6P66 A302 P303 F308 L309 Q310P66-S306 WeakPolarHBondContact CD-OG 3.16Å; A302-S306 VanDerWaalsContact O-CB 3.24Å; A302-S306 WeakPolarHBondContact O-CB 3.46Å; A302-S306 PolarHBondContact O-N 2.79Å; A302-S306 PolarHBondContact O-OG 3.28Å; P303-S306 PolarHBondContact O-N 3.04Å; S306-F308 VanDerWaalsContact C-N 3.33Å; S306-F308 PolarHBondContact O-N 2.94Å; S306-L309 PolarHBondContact O-N 3.12Å; S306-Q310 WeakPolarHBondContact O-CB 3.29Å; S306-Q310 VanDerWaalsContact O-CG 3.3Å; S306-Q310 WeakPolarHBondContact O-CG 3.38Å; S306-Q310 PolarHBondContact O-N 3.22Å
307E96.6Very high85.8Confident114 Ų11451.8 Ų51.853%0.53329%0.292SS..Hα-helixtrans-58.6-46.3178.2179.6179.3-177.700111P303 L309 Q310 N311P303-E307 WeakPolarHBondContact O-CB 3.36Å; P303-E307 PolarHBondContact O-N 2.89Å; E307-L309 PolarHBondContact O-N 2.94Å; E307-Q310 PolarHBondContact O-N 3.32Å; E307-N311 WeakPolarHBondContact CG-ND2 3.46Å; E307-N311 WeakPolarHBondContact O-CB 3.39Å; E307-N311 VanDerWaalsContact O-CG 3.25Å; E307-N311 PolarHBondContact O-N 3.46Å; E307-N311 PolarHBondContact O-ND2 3.02Å
308F96.4Very high83.3Confident26 Ų2654.6 Ų54.611%0.11431%0.311CS..Hα-helixtrans-63.4-44.7-178.3-163.5-109.6000112.7T137 V139 S247 L249 L304 V305 S306 Q310T137-F308 HydrophobicContact CG2-CD1 3.54Å; T137-F308 HydrophobicContact CG2-CE1 3.48Å; T137-F308 VanDerWaalsContact CG2-CE1 3.48Å; V139-F308 HydrophobicContact CG2-CD1 4.04Å; S247-F308 WeakPolarHBondContact O-CE1 3.23Å; L249-F308 HydrophobicContact CB-CD1 3.51Å; L249-F308 HydrophobicContact CB-CD2 4Å; L249-F308 HydrophobicContact CB-CE1 3.47Å; L249-F308 VanDerWaalsContact CB-CE1 3.47Å; L249-F308 HydrophobicContact CB-CE2 4Å; L249-F308 HydrophobicContact CB-CG 3.77Å; L249-F308 HydrophobicContact CB-CZ 3.75Å; L249-F308 HydrophobicContact CD2-CB 3.79Å; L249-F308 HydrophobicContact CD2-CD1 4.19Å; L249-F308 HydrophobicContact CD2-CD2 4.5Å; L249-F308 HydrophobicContact CD2-CG 3.93Å; L249-F308 HydrophobicContact CG-CD1 4.48Å; L249-F308 HydrophobicContact CG-CG 4.4Å; L304-F308 VanDerWaalsContact O-CB 3.31Å; L304-F308 WeakPolarHBondContact O-CB 3.5Å; L304-F308 PolarHBondContact O-N 3.47Å; L304-F308 VanDerWaalsContact O-N 3.08Å; V305-F308 PolarHBondContact O-N 3.02Å; S306-F308 VanDerWaalsContact C-N 3.33Å; S306-F308 PolarHBondContact O-N 2.94Å; F308-Q310 PolarHBondContact O-N 2.71Å
309L96.1Very high80.6Confident2 Ų257.1 Ų57.11%0.0134%0.34CS..Hα-helixtrans-63.3-40.9176.6-72.5175.2000111.9F69 Y71 I115 T137 V305 S306 E307 A313F69-L309 HydrophobicContact CE1-CB 4.03Å; F69-L309 HydrophobicContact CE1-CD2 4.43Å; F69-L309 HydrophobicContact CE2-CB 4.18Å; F69-L309 HydrophobicContact CZ-CB 3.63Å; Y71-L309 HydrophobicContact CE1-CD1 4.18Å; I115-L309 HydrophobicContact CD1-CD1 4.39Å; T137-L309 HydrophobicContact CG2-CD2 4.02Å; V305-L309 HydrophobicContact CG1-CD1 3.88Å; V305-L309 HydrophobicContact CG1-CG 4.32Å; V305-L309 WeakPolarHBondContact O-CB 3.38Å; V305-L309 VanDerWaalsContact O-CG 3.27Å; V305-L309 WeakPolarHBondContact O-CG 3.44Å; V305-L309 PolarHBondContact O-N 3.35Å; S306-L309 PolarHBondContact O-N 3.12Å; E307-L309 PolarHBondContact O-N 2.94Å; L309-A313 WeakPolarHBondContact O-CB 3.15Å; L309-A313 PolarHBondContact O-N 3.03Å
310Q92.8Very high77.9Confident81 Ų8156.5 Ų56.538%0.37935%0.347SS..Hα-helixtrans-73.4-40.4-177.6-73.4177-37.300113.2P66 F69 S306 E307 F308 K312 A313 L314P66-Q310 HydrophobicContact CB-CG 4.4Å; P66-Q310 HydrophobicContact CG-CG 3.96Å; F69-Q310 HydrophobicContact CE2-CG 4.31Å; S306-Q310 WeakPolarHBondContact O-CB 3.29Å; S306-Q310 VanDerWaalsContact O-CG 3.3Å; S306-Q310 WeakPolarHBondContact O-CG 3.38Å; S306-Q310 PolarHBondContact O-N 3.22Å; E307-Q310 PolarHBondContact O-N 3.32Å; F308-Q310 PolarHBondContact O-N 2.71Å; Q310-K312 VanDerWaalsContact C-N 3.3Å; Q310-K312 PolarHBondContact O-N 3.38Å; Q310-A313 VanDerWaalsContact O-CB 3.26Å; Q310-A313 WeakPolarHBondContact O-CB 3.5Å; Q310-A313 PolarHBondContact O-N 2.96Å; Q310-L314 PolarHBondContact O-N 2.95Å; Q310-L314 VanDerWaalsContact O-N 3.12Å
311N86.2Confident75Confident89 Ų8961.5 Ų61.548%0.47637%0.373SS..Hα-helixtrans-62-37.9-178.9-75.9-16000112.2E307 S315E307-N311 WeakPolarHBondContact CG-ND2 3.46Å; E307-N311 WeakPolarHBondContact O-CB 3.39Å; E307-N311 VanDerWaalsContact O-CG 3.25Å; E307-N311 PolarHBondContact O-N 3.46Å; E307-N311 PolarHBondContact O-ND2 3.02Å; N311-S315 PolarHBondContact O-N 2.99Å
312K70.1Confident72.4Confident82 Ų8269.7 Ų69.736%0.35742%0.416SS..Hα-helixtrans-71-40.2176.2-78.1-74.6147.6173.80112.7S247 Q310 L314 S315 A316S247-K312 WeakPolarHBondContact OG-CD 3.47Å; S247-K312 WeakPolarHBondContact OG-CE 3.43Å; S247-K312 PolarHBondContact OG-NZ 3.09Å; Q310-K312 VanDerWaalsContact C-N 3.3Å; Q310-K312 PolarHBondContact O-N 3.38Å; K312-L314 VanDerWaalsContact C-N 3.27Å; K312-L314 PolarHBondContact O-N 3.29Å; K312-S315 PolarHBondContact O-N 3.12Å; K312-S315 VanDerWaalsContact O-N 3.13Å; K312-S315 PolarHBondContact O-OG 3.35Å; K312-A316 PolarHBondContact O-N 3.3Å; K312-A316 VanDerWaalsContact O-N 3.09Å
313A61.6Low69.5Low14 Ų1473.6 Ų73.612%0.11645%0.449CS..Hα-helixtrans-55.3-41.4175.300000113.5F69 L309 Q310 A316 S317F69-A313 HydrophobicContact CZ-CB 4.49Å; L309-A313 WeakPolarHBondContact O-CB 3.15Å; L309-A313 PolarHBondContact O-N 3.03Å; Q310-A313 VanDerWaalsContact O-CB 3.26Å; Q310-A313 WeakPolarHBondContact O-CB 3.5Å; Q310-A313 PolarHBondContact O-N 2.96Å; A313-A316 PolarHBondContact O-N 3.01Å; A313-S317 PolarHBondContact O-N 3.46Å
314L58.4Low66.5Low110 Ų11078.8 Ų78.858%0.57647%0.466SS*.Hα-helixtrans-67.1-42.3176.2-69.4167.4000111.6Q310 K312 A316 S317 T318Q310-L314 PolarHBondContact O-N 2.95Å; Q310-L314 VanDerWaalsContact O-N 3.12Å; K312-L314 VanDerWaalsContact C-N 3.27Å; K312-L314 PolarHBondContact O-N 3.29Å; L314-A316 VanDerWaalsContact C-N 3.27Å; L314-A316 PolarHBondContact O-N 2.92Å; L314-S317 PolarHBondContact O-N 3.47Å; L314-S317 PolarHBondContact O-OG 2.79Å; L314-T318 PolarHBondContact O-N 3.29Å; L314-T318 PolarHBondContact O-OG1 3.19Å
315S59.4Low63.6Low64 Ų6481.7 Ų81.745%0.44849%0.488SS..Hα-helixtrans-64.1-28.5178.468.50000114.1N311 K312 T318N311-S315 PolarHBondContact O-N 2.99Å; K312-S315 PolarHBondContact O-N 3.12Å; K312-S315 VanDerWaalsContact O-N 3.13Å; K312-S315 PolarHBondContact O-OG 3.35Å; S315-T318 PolarHBondContact O-OG1 3.31Å; S315-T318 VanDerWaalsContact O-OG1 3.1Å
316A55.2Low60.8Low67 Ų6787.6 Ų87.655%0.55453%0.526SS*.Hα-helixtrans-75.9-34175.500000112.6K312 A313 L314K312-A316 PolarHBondContact O-N 3.3Å; K312-A316 VanDerWaalsContact O-N 3.09Å; A313-A316 PolarHBondContact O-N 3.01Å; L314-A316 VanDerWaalsContact C-N 3.27Å; L314-A316 PolarHBondContact O-N 2.92Å
317S47.5Very low58.3Low70 Ų7096.4 Ų96.449%0.4956%0.562SS.*Hα-helixtrans-73.6-23.5179.557.90000114.2A313 L314 G319A313-S317 PolarHBondContact O-N 3.46Å; L314-S317 PolarHBondContact O-N 3.47Å; L314-S317 PolarHBondContact O-OG 2.79Å; S317-G319 VanDerWaalsContact C-N 3.3Å; S317-G319 PolarHBondContact O-N 3.27Å
318T44.1Very low56Low118 Ų118102.8 Ų102.872%0.72460%0.598SS**THydrogen-bonded Turntrans-83-4.1178.450.90000113.7L314 S315L314-T318 PolarHBondContact O-N 3.29Å; L314-T318 PolarHBondContact O-OG1 3.19Å; S315-T318 PolarHBondContact O-OG1 3.31Å; S315-T318 VanDerWaalsContact O-OG1 3.1Å
319G42.1Very low54Low68 Ų68106.6 Ų106.670%0.70162%0.622SS**THydrogen-bonded Turntrans-102.12.4-174.900000115.9S317S317-G319 VanDerWaalsContact C-N 3.3Å; S317-G319 PolarHBondContact O-N 3.27Å
320S40.6Very low51.8Low90 Ų90112.1 Ų112.163%0.62966%0.655SS**SBendtrans-112.45.9-17165.70000116.4
321D39Very low49.5Very low148 Ų148113.8 Ų113.879%0.79167%0.67SS**SBendtrans-102.51.6-171.3-93.13.4000116.8
322D42.6Very low47.3Very low171 Ų171115.3 Ų115.391%0.91468%0.681SS**  trans-122.775.2176.9-87.9-31.1000112.8
323A37.1Very low45.9Very low89 Ų89117.4 Ų117.474%0.73670%0.702SS**  trans-148.170.616000000110.9
324H35.5Very low44.9Very low186 Ų186124.3 Ų124.386%0.86174%0.741SS**PPolyproline II helixtrans-81121.5155.3-84.82000109
325P38.2Very low43.9Very low110 Ų110125.3 Ų125.371%0.71475%0.753SS**PPolyproline II helixtrans-70.2139171.227.9-30.3000109.3K327P325-K327 PolarHBondContact O-N 2.73Å
326P39.8Very low42.7Very low123 Ų123130 Ų13080%0.79978%0.776SS**PPolyproline II helixtrans-65.3127.5172.526.9-31000108.8L328P326-L328 PolarHBondContact O-N 2.73Å
327K44.3Very low41.7Very low203 Ų203135.3 Ų135.388%0.88380%0.795SS**PPolyproline II helixtrans-63.8120.3167.8-72.2179.8176.4178.30108.9P325P325-K327 PolarHBondContact O-N 2.73Å
328L49.5Very low41.2Very low247 Ų247141.2 Ų141.2100%1.29382%0.822SS**  trans-1310147.9-78.3170.6000107.3P326P326-L328 PolarHBondContact O-N 2.73Å

Retrieved 328 of 328 residues in 137.9 ms (Link to these results)

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