A0A077ZCP6_TRITR Loading...

Acetyltransf 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCP6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 249 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
1M42Very low81Confident232 Ų232114.9 Ų114.9100%1.14357%0.571SS**  01180-165.2178.2-6200105.7
2E64.2Low82.1Confident193 Ų193107.1 Ų107.190%0.90253%0.531SS*.PPolyproline II helixtrans-71.7127.2168.8-76.8179.1156.800107.3
3L72.3Confident82.9Confident96 Ų96106.9 Ų106.950%0.50353%0.525SS..PPolyproline II helixtrans-71.6139.4170.6-76.1158.5000107.7A7 L8L3-A7 HydrophobicContact CD2-CB 3.99Å; L3-L8 HydrophobicContact CD1-CD1 4.21Å
4S87.1Confident83.6Confident73 Ų7399.5 Ų99.551%0.5149%0.489SS..PPolyproline II helixtrans-65.8155.9169.1630000110.2E6 A7 L8S4-E6 PolarHBondContact O-N 2.91Å; S4-A7 PolarHBondContact O-N 3.22Å; S4-A7 WeakPolarHBondContact OG-CB 3.18Å; S4-A7 PolarHBondContact OG-N 3.06Å; S4-L8 WeakPolarHBondContact O-CB 3.31Å; S4-L8 PolarHBondContact O-N 3.46Å
5D87.6Confident84.3Confident144 Ų14493.7 Ų93.777%0.7746%0.46SS*.Hα-helixtrans-54.5-39.7175.6-66.6-10.3000111.6L8 Y9D5-L8 PolarHBondContact O-N 3.32Å; D5-Y9 VanDerWaalsContact O-CB 3.28Å; D5-Y9 WeakPolarHBondContact O-CB 3.49Å; D5-Y9 PolarHBondContact O-N 3.06Å
6E90Very high85Confident144 Ų14490.9 Ų90.967%0.67345%0.448SS*.Hα-helixtrans-63.3-45.4176.6-162.570.3-160.300111.7S4 L8 Y9 H10S4-E6 PolarHBondContact O-N 2.91Å; E6-L8 VanDerWaalsContact C-N 3.32Å; E6-L8 PolarHBondContact O-N 3.28Å; E6-Y9 PolarHBondContact O-N 3.37Å; E6-H10 VanDerWaalsContact O-CB 3.23Å; E6-H10 WeakPolarHBondContact O-CB 3.31Å; E6-H10 PolarHBondContact O-N 2.82Å
7A87Confident85.6Confident37 Ų3786.4 Ų86.431%0.30643%0.427SS..Hα-helixtrans-66.6-36.4178.500000111.7L3 S4 R11L3-A7 HydrophobicContact CD2-CB 3.99Å; S4-A7 PolarHBondContact O-N 3.22Å; S4-A7 WeakPolarHBondContact OG-CB 3.18Å; S4-A7 PolarHBondContact OG-N 3.06Å; A7-R11 WeakPolarHBondContact O-CB 3.28Å; A7-R11 PolarHBondContact O-N 2.95Å
8L88.5Confident86.2Confident61 Ų6187.2 Ų87.232%0.31942%0.424SS..Hα-helixtrans-69.7-45.3177-168.769000111.4L3 S4 D5 E6 H10 R11 F12L3-L8 HydrophobicContact CD1-CD1 4.21Å; S4-L8 WeakPolarHBondContact O-CB 3.31Å; S4-L8 PolarHBondContact O-N 3.46Å; D5-L8 PolarHBondContact O-N 3.32Å; E6-L8 VanDerWaalsContact C-N 3.32Å; E6-L8 PolarHBondContact O-N 3.28Å; L8-H10 VanDerWaalsContact C-N 3.34Å; L8-R11 PolarHBondContact O-N 3.26Å; L8-F12 HydrophobicContact CD1-CE1 4.13Å; L8-F12 HydrophobicContact CD1-CE2 3.71Å; L8-F12 HydrophobicContact CD1-CZ 3.48Å; L8-F12 VanDerWaalsContact CD1-CZ 3.48Å; L8-F12 HydrophobicContact CD2-CE2 3.88Å; L8-F12 HydrophobicContact CD2-CZ 4.34Å; L8-F12 HydrophobicContact CG-CD2 4.07Å; L8-F12 HydrophobicContact CG-CE2 3.46Å; L8-F12 VanDerWaalsContact CG-CE2 3.46Å; L8-F12 HydrophobicContact CG-CZ 3.83Å; L8-F12 WeakPolarHBondContact O-CD2 3.23Å; L8-F12 WeakPolarHBondContact O-CG 3.28Å; L8-F12 PolarHBondContact O-N 3.44Å
9Y91Very high86.7Confident118 Ų11889.4 Ų89.446%0.46343%0.429SS..Hα-helixtrans-59.2-47.5174.8176.5-101000110.9D5 E6 R11 F12 K13D5-Y9 VanDerWaalsContact O-CB 3.28Å; D5-Y9 WeakPolarHBondContact O-CB 3.49Å; D5-Y9 PolarHBondContact O-N 3.06Å; E6-Y9 PolarHBondContact O-N 3.37Å; Y9-R11 PolarHBondContact O-N 3.06Å; Y9-F12 PolarHBondContact O-N 2.73Å; Y9-K13 HydrophobicContact CE1-CD 3.92Å; Y9-K13 VanDerWaalsContact O-CB 3.31Å; Y9-K13 WeakPolarHBondContact O-CB 3.22Å; Y9-K13 PolarHBondContact O-N 3.46Å
10H91.4Very high87.2Confident73 Ų7389.6 Ų89.634%0.33843%0.432SS..Hα-helixtrans-59.7-46177.5-176-93.9000112E6 L8 F12 K13 S14 D163E6-H10 VanDerWaalsContact O-CB 3.23Å; E6-H10 WeakPolarHBondContact O-CB 3.31Å; E6-H10 PolarHBondContact O-N 2.82Å; L8-H10 VanDerWaalsContact C-N 3.34Å; H10-F12 PolarHBondContact O-N 2.85Å; H10-K13 PolarHBondContact O-N 2.98Å; H10-S14 WeakPolarHBondContact O-CB 3.47Å; H10-S14 PolarHBondContact O-N 3.18Å; H10-S14 PolarHBondContact O-OG 3.42Å; H10-D163 IonicContact CE1-OD1 3.24Å; H10-D163 IonicContact CE1-OD2 2.74Å; H10-D163 PolarHBondContact CE1-OD2 3.42Å; H10-D163 IonicContact NE2-OD1 3.62Å; H10-D163 IonicContact NE2-OD2 3.54Å; H10-D163 PolarHBondContact NE2-OD2 3.25Å
11R90.5Very high87.6Confident93 Ų9385.7 Ų85.735%0.35141%0.413SS..Hα-helixtrans-55.8-53.4176.3177.9-178.8175-168-6.8112A7 L8 Y9 K13 S14 E15 E151A7-R11 WeakPolarHBondContact O-CB 3.28Å; A7-R11 PolarHBondContact O-N 2.95Å; L8-R11 PolarHBondContact O-N 3.26Å; Y9-R11 PolarHBondContact O-N 3.06Å; R11-K13 VanDerWaalsContact C-N 3.27Å; R11-K13 PolarHBondContact O-N 2.94Å; R11-S14 PolarHBondContact O-N 3.23Å; R11-S14 PolarHBondContact O-OG 3.36Å; R11-S14 VanDerWaalsContact O-OG 3.09Å; R11-E15 WeakPolarHBondContact CG-OE1 3.38Å; R11-E15 IonicContact CZ-OE1 3.17Å; R11-E15 IonicContact NE-OE1 2.64Å; R11-E15 PolarHBondContact NE-OE1 3.06Å; R11-E15 IonicContact NE-OE2 3.89Å; R11-E15 IonicContact NH2-OE1 3.94Å; R11-E15 WeakPolarHBondContact O-CG 3.36Å; R11-E15 PolarHBondContact O-N 2.88Å; R11-E151 IonicContact NH2-OE1 3.97Å
12F93.4Very high90.2Very high21 Ų2175.1 Ų75.19%0.09236%0.362CS..Hα-helixtrans-65.2-35.9-178.1-64.6-28.9000112L8 Y9 H10 N16 V17 L36 A52L8-F12 HydrophobicContact CD1-CE1 4.13Å; L8-F12 HydrophobicContact CD1-CE2 3.71Å; L8-F12 HydrophobicContact CD1-CZ 3.48Å; L8-F12 VanDerWaalsContact CD1-CZ 3.48Å; L8-F12 HydrophobicContact CD2-CE2 3.88Å; L8-F12 HydrophobicContact CD2-CZ 4.34Å; L8-F12 HydrophobicContact CG-CD2 4.07Å; L8-F12 HydrophobicContact CG-CE2 3.46Å; L8-F12 VanDerWaalsContact CG-CE2 3.46Å; L8-F12 HydrophobicContact CG-CZ 3.83Å; L8-F12 WeakPolarHBondContact O-CD2 3.23Å; L8-F12 WeakPolarHBondContact O-CG 3.28Å; L8-F12 PolarHBondContact O-N 3.44Å; Y9-F12 PolarHBondContact O-N 2.73Å; H10-F12 PolarHBondContact O-N 2.85Å; F12-N16 PolarHBondContact O-N 2.82Å; F12-V17 HydrophobicContact CB-CB 3.97Å; F12-V17 HydrophobicContact CB-CG1 4.47Å; F12-V17 HydrophobicContact CB-CG2 3.82Å; F12-V17 HydrophobicContact CD1-CG2 4.18Å; F12-V17 HydrophobicContact CG-CG2 4.29Å; F12-V17 WeakPolarHBondContact O-CB 3.49Å; F12-V17 VanDerWaalsContact O-CG2 3.27Å; F12-V17 WeakPolarHBondContact O-CG2 3.48Å; F12-V17 PolarHBondContact O-N 2.87Å; F12-L36 HydrophobicContact CD1-CD1 4.49Å; F12-L36 HydrophobicContact CD2-CD1 3.97Å; F12-L36 HydrophobicContact CE1-CD1 4.17Å; F12-L36 HydrophobicContact CE2-CD1 3.56Å; F12-L36 HydrophobicContact CG-CD1 4.41Å; F12-L36 HydrophobicContact CZ-CD1 3.68Å; F12-A52 HydrophobicContact CE1-CB 3.81Å; F12-A52 HydrophobicContact CZ-CB 4Å
13K93.5Very high91.8Very high105 Ų10566.9 Ų66.946%0.45733%0.326SS..Hα-helixtrans-66.2-41.2175.6-157.7-177178.71780111.6Y9 H10 R11 N16 F160Y9-K13 HydrophobicContact CE1-CD 3.92Å; Y9-K13 VanDerWaalsContact O-CB 3.31Å; Y9-K13 WeakPolarHBondContact O-CB 3.22Å; Y9-K13 PolarHBondContact O-N 3.46Å; H10-K13 PolarHBondContact O-N 2.98Å; R11-K13 VanDerWaalsContact C-N 3.27Å; R11-K13 PolarHBondContact O-N 2.94Å; K13-N16 PolarHBondContact O-N 3.45Å; K13-N16 VanDerWaalsContact O-N 3.12Å; K13-F160 HydrophobicContact CB-CE2 4.43Å; K13-F160 HydrophobicContact CB-CZ 4.11Å; K13-F160 HydrophobicContact CD-CE1 4.24Å; K13-F160 HydrophobicContact CD-CZ 3.61Å; K13-F160 HydrophobicContact CG-CE2 4.05Å; K13-F160 HydrophobicContact CG-CZ 3.57Å; K13-F160 VanDerWaalsContact O-CE2 3.29Å; K13-F160 WeakPolarHBondContact O-CE2 3.33Å
14S92.4Very high92.9Very high3 Ų363.9 Ų63.92%0.02132%0.318CS..Hα-helixtrans-73.6-29.4-178.567.80000114.5H10 R11 N16H10-S14 WeakPolarHBondContact O-CB 3.47Å; H10-S14 PolarHBondContact O-N 3.18Å; H10-S14 PolarHBondContact O-OG 3.42Å; R11-S14 PolarHBondContact O-N 3.23Å; R11-S14 PolarHBondContact O-OG 3.36Å; R11-S14 VanDerWaalsContact O-OG 3.09Å; S14-N16 PolarHBondContact O-N 2.87Å
15E93.2Very high93.4Very high12 Ų1261.2 Ų61.26%0.05630%0.301CS..THydrogen-bonded Turntrans-76.3-0.3169.8-70.3162.6-169.700112.9R11 V17 A38 E151R11-E15 WeakPolarHBondContact CG-OE1 3.38Å; R11-E15 IonicContact CZ-OE1 3.17Å; R11-E15 IonicContact NE-OE1 2.64Å; R11-E15 PolarHBondContact NE-OE1 3.06Å; R11-E15 IonicContact NE-OE2 3.89Å; R11-E15 IonicContact NH2-OE1 3.94Å; R11-E15 WeakPolarHBondContact O-CG 3.36Å; R11-E15 PolarHBondContact O-N 2.88Å; E15-V17 HydrophobicContact CB-CG2 4.47Å; E15-A38 HydrophobicContact CB-CB 4.39Å; E15-A38 WeakPolarHBondContact O-CB 3.46Å; E15-E151 HydrophobicContact CG-CG 4.36Å
16N95.5Very high93.8Very high49 Ų4961 Ų6126%0.26229%0.293SS..THydrogen-bonded Turntrans6045.7-176.4-165.231.3000113.1F12 K13 S14 R18 A38 V39F12-N16 PolarHBondContact O-N 2.82Å; K13-N16 PolarHBondContact O-N 3.45Å; K13-N16 VanDerWaalsContact O-N 3.12Å; S14-N16 PolarHBondContact O-N 2.87Å; N16-R18 PolarHBondContact O-N 2.84Å; N16-A38 WeakPolarHBondContact O-CA 3.32Å; N16-V39 WeakPolarHBondContact ND2-CG2 3.39Å; N16-V39 PolarHBondContact ND2-O 3.3Å; N16-V39 PolarHBondContact O-N 2.9Å; N16-V39 VanDerWaalsContact O-N 3.09Å
17V96.8Very high94.1Very high15 Ų1559.3 Ų59.39%0.09128%0.284CS..BIsolated β-bridgetrans-64.1130.3172.21730000111F12 E15 Y19 L36 N37 A38 A51F12-V17 HydrophobicContact CB-CB 3.97Å; F12-V17 HydrophobicContact CB-CG1 4.47Å; F12-V17 HydrophobicContact CB-CG2 3.82Å; F12-V17 HydrophobicContact CD1-CG2 4.18Å; F12-V17 HydrophobicContact CG-CG2 4.29Å; F12-V17 WeakPolarHBondContact O-CB 3.49Å; F12-V17 VanDerWaalsContact O-CG2 3.27Å; F12-V17 WeakPolarHBondContact O-CG2 3.48Å; F12-V17 PolarHBondContact O-N 2.87Å; E15-V17 HydrophobicContact CB-CG2 4.47Å; V17-Y19 HydrophobicContact CG1-CD1 4.25Å; V17-Y19 HydrophobicContact CG1-CE1 4.03Å; V17-L36 HydrophobicContact CG1-CB 4.1Å; V17-N37 CarbonylContact C-O 3.5Å; V17-N37 WeakPolarHBondContact CA-O 3.44Å; V17-A38 HydrophobicContact CG2-CB 4.23Å; V17-A51 HydrophobicContact CG2-CB 3.66Å
18R96.4Very high94.5Very high101 Ų10165.7 Ų65.738%0.38131%0.307SS..  trans-111.699.5179.2-69.9-63.6-62.4-94.1-6110.4N16 D20 L21 S22 N37 V39N16-R18 PolarHBondContact O-N 2.84Å; R18-D20 WeakPolarHBondContact CB-OD1 3.48Å; R18-D20 IonicContact CZ-OD1 2.85Å; R18-D20 IonicContact CZ-OD2 3.72Å; R18-D20 IonicContact NE-OD1 3Å; R18-D20 PolarHBondContact NE-OD1 2.83Å; R18-D20 IonicContact NE-OD2 3.64Å; R18-D20 IonicContact NH2-OD1 3.37Å; R18-D20 PolarHBondContact NH2-OD1 3.27Å; R18-D20 IonicContact NH2-OD2 2.73Å; R18-D20 PolarHBondContact NH2-OD2 3.35Å; R18-D20 PolarHBondContact O-N 3.2Å; R18-L21 HydrophobicContact CB-CB 4.03Å; R18-L21 HydrophobicContact CB-CD1 4.01Å; R18-L21 HydrophobicContact CB-CG 4.17Å; R18-L21 HydrophobicContact CG-CD1 4.39Å; R18-L21 CarbonylContact O-C 3.55Å; R18-L21 PolarHBondContact O-N 3.09Å; R18-S22 WeakPolarHBondContact O-CB 3.32Å; R18-S22 PolarHBondContact O-N 3.08Å; R18-S22 PolarHBondContact O-OG 3.08Å; R18-N37 PolarHBondContact N-O 2.87Å; R18-V39 HydrophobicContact CB-CG1 4.22Å; R18-V39 HydrophobicContact CG-CB 4.35Å; R18-V39 HydrophobicContact CG-CG1 3.99Å; R18-V39 HydrophobicContact CG-CG2 3.45Å; R18-V39 VanDerWaalsContact CG-CG2 3.45Å
19Y95.2Very high94.8Very high129 Ų12965.8 Ų65.851%0.50632%0.323SS..G310 helixtrans-61.7-28.7179.6-63.2-61.9000113.2V17 L21 S22 L36V17-Y19 HydrophobicContact CG1-CD1 4.25Å; V17-Y19 HydrophobicContact CG1-CE1 4.03Å; Y19-L21 PolarHBondContact O-N 3.23Å; Y19-S22 PolarHBondContact O-N 3.2Å; Y19-L36 HydrophobicContact CD1-CD2 4.16Å; Y19-L36 HydrophobicContact CE1-CD2 4.13Å
20D95.7Very high95.1Very high93 Ų9366.8 Ų66.850%0.49733%0.332SS..G310 helixtrans-71.1-17.5174.660.1-53.4000113.8R18R18-D20 WeakPolarHBondContact CB-OD1 3.48Å; R18-D20 IonicContact CZ-OD1 2.85Å; R18-D20 IonicContact CZ-OD2 3.72Å; R18-D20 IonicContact NE-OD1 3Å; R18-D20 PolarHBondContact NE-OD1 2.83Å; R18-D20 IonicContact NE-OD2 3.64Å; R18-D20 IonicContact NH2-OD1 3.37Å; R18-D20 PolarHBondContact NH2-OD1 3.27Å; R18-D20 IonicContact NH2-OD2 2.73Å; R18-D20 PolarHBondContact NH2-OD2 3.35Å; R18-D20 PolarHBondContact O-N 3.2Å
21L96.3Very high95.3Very high7 Ų767.4 Ų67.44%0.03734%0.337CS..G310 helixtrans-109.65.9173.9-60.4174.8000112.2R18 Y19 N37 V39 Y79 F81R18-L21 HydrophobicContact CB-CB 4.03Å; R18-L21 HydrophobicContact CB-CD1 4.01Å; R18-L21 HydrophobicContact CB-CG 4.17Å; R18-L21 HydrophobicContact CG-CD1 4.39Å; R18-L21 CarbonylContact O-C 3.55Å; R18-L21 PolarHBondContact O-N 3.09Å; Y19-L21 PolarHBondContact O-N 3.23Å; L21-N37 PolarHBondContact O-ND2 3.2Å; L21-V39 HydrophobicContact CD1-CG1 3.82Å; L21-Y79 HydrophobicContact CD2-CD2 3.53Å; L21-Y79 HydrophobicContact CD2-CE2 3.81Å; L21-Y79 HydrophobicContact CD2-CG 4.32Å; L21-F81 HydrophobicContact CD1-CE2 3.76Å; L21-F81 HydrophobicContact CD1-CZ 3.59Å
22S97Very high95.7Very high11 Ų1163.6 Ų63.68%0.07732%0.324CS..  trans-105175.8178.4-59.70000110.1R18 Y19 L35 L36 N37R18-S22 WeakPolarHBondContact O-CB 3.32Å; R18-S22 PolarHBondContact O-N 3.08Å; R18-S22 PolarHBondContact O-OG 3.08Å; Y19-S22 PolarHBondContact O-N 3.2Å; S22-L35 WeakPolarHBondContact CA-O 3.1Å; S22-L35 VanDerWaalsContact CB-O 3.28Å; S22-L35 WeakPolarHBondContact CB-O 3.48Å; S22-L36 WeakPolarHBondContact OG-CA 3.43Å; S22-N37 PolarHBondContact OG-N 3.32Å
23C96.9Very high95.8Very high20 Ų2062.8 Ų62.814%0.13532%0.321CS..EExtended strand (participates in β ladder)trans-147.1161.4171.575.40000113.9V34 L35 M68 Y71 C72C23-V34 WeakPolarHBondContact O-CA 3.46Å; C23-L35 PolarHBondContact N-O 3.49Å; C23-L35 PolarHBondContact O-N 3.1Å; C23-M68 WeakPolarHBondContact SG-CB 3.5Å; C23-M68 VanDerWaalsContact SG-CG 3.55Å; C23-M68 PolarHBondContact SG-O 3.09Å; C23-Y71 HydrophobicContact CB-CD1 3.64Å; C23-Y71 HydrophobicContact CB-CE1 3.84Å; C23-C72 PolarHBondContact SG-SG 3.21Å
24G96.3Very high96Very high33 Ų3359.6 Ų59.634%0.3431%0.311SS..EExtended strand (participates in β ladder)trans-130.8145.4172.200000110.7A33G24-A33 CarbonylContact C-O 3.47Å; G24-A33 VanDerWaalsContact CA-O 3.22Å; G24-A33 WeakPolarHBondContact CA-O 3.12Å
25A96.4Very high96.2Very high17 Ų1759.5 Ų59.514%0.1431%0.31CS..EExtended strand (participates in β ladder)trans-102.2133.4171.100000109.9V32 A33 L64 M68A25-V32 HydrophobicContact CB-CG2 4.4Å; A25-V32 VanDerWaalsContact O-CG2 3.31Å; A25-V32 WeakPolarHBondContact O-CG2 3.49Å; A25-V32 PolarHBondContact O-N 3.48Å; A25-A33 HydrophobicContact CB-CB 3.94Å; A25-A33 PolarHBondContact N-O 3.41Å; A25-A33 PolarHBondContact O-N 2.86Å; A25-L64 HydrophobicContact CB-CD2 4.2Å; A25-M68 HydrophobicContact CB-CG 4.43Å; A25-M68 HydrophobicContact CB-SD 4.1Å
26F96.4Very high96.4Very high140 Ų14059.8 Ų59.861%0.61431%0.312SS*.EExtended strand (participates in β ladder)trans-112.7145-179.6-67.7-99000111.5E30 L31F26-E30 CarbonylContact C-O 3.53Å; F26-E30 WeakPolarHBondContact CA-O 3.37Å; F26-L31 HydrophobicContact CD1-CB 4.26Å; F26-L31 HydrophobicContact CD2-CD1 4.34Å; F26-L31 HydrophobicContact CE1-CB 3.88Å; F26-L31 HydrophobicContact CE1-CD1 4.08Å; F26-L31 HydrophobicContact CE2-CD1 3.84Å; F26-L31 HydrophobicContact CZ-CB 4.32Å; F26-L31 HydrophobicContact CZ-CD1 3.7Å
27F95.8Very high96.5Very high108 Ų10857.5 Ų57.547%0.47430%0.299SS..EExtended strand (participates in β ladder)trans-136.3122.3170-177.5-98.2000108.5G29 E30 V32 H59F27-G29 PolarHBondContact O-N 3.32Å; F27-E30 PolarHBondContact N-O 3.29Å; F27-E30 PolarHBondContact O-N 3.41Å; F27-V32 HydrophobicContact CB-CG1 3.9Å; F27-V32 HydrophobicContact CB-CG2 4Å; F27-H59 AromaticContact CD1-CE1 3.6Å; F27-H59 AromaticContact CG-CE1 3.75Å
28E95.6Very high96.5Very high170 Ų17056.8 Ų56.879%0.79430%0.295SS*.THydrogen-bonded Turntrans54.235.5-177.4-62.7-179.2170.500114E30E28-E30 VanDerWaalsContact C-N 3.29Å; E28-E30 PolarHBondContact O-N 3.49Å
29G95.5Very high96.6Very high64 Ų6452.5 Ų52.566%0.6628%0.28SS*.THydrogen-bonded Turntrans86.5-10.518000000114.8F27F27-G29 PolarHBondContact O-N 3.32Å
30E96.8Very high96.6Very high139 Ų13947 Ų4765%0.6526%0.262SS*.EExtended strand (participates in β ladder)trans-95.6140.7-179.1-65.6-62.1149.800111.9F26 F27 E28 V32F26-E30 CarbonylContact C-O 3.53Å; F26-E30 WeakPolarHBondContact CA-O 3.37Å; F27-E30 PolarHBondContact N-O 3.29Å; F27-E30 PolarHBondContact O-N 3.41Å; E28-E30 VanDerWaalsContact C-N 3.29Å; E28-E30 PolarHBondContact O-N 3.49Å; E30-V32 PolarHBondContact O-N 3.17Å
31L96.5Very high96.5Very high86 Ų8648.5 Ų48.545%0.4527%0.266SS..EExtended strand (participates in β ladder)trans-74.1112.4175-177.767.4000109.7F26 A33 V34F26-L31 HydrophobicContact CD1-CB 4.26Å; F26-L31 HydrophobicContact CD2-CD1 4.34Å; F26-L31 HydrophobicContact CE1-CB 3.88Å; F26-L31 HydrophobicContact CE1-CD1 4.08Å; F26-L31 HydrophobicContact CE2-CD1 3.84Å; F26-L31 HydrophobicContact CZ-CB 4.32Å; F26-L31 HydrophobicContact CZ-CD1 3.7Å; L31-A33 VanDerWaalsContact CD1-O 3.31Å; L31-A33 WeakPolarHBondContact CD1-O 3.29Å; L31-V34 HydrophobicContact CD1-CG1 3.98Å; L31-V34 HydrophobicContact CD2-CG1 3.64Å; L31-V34 HydrophobicContact CG-CG1 3.99Å
32V97.5Very high96.1Very high12 Ų1251.3 Ų51.37%0.07328%0.277CS..EExtended strand (participates in β ladder)trans-110.7-11.8-175.1-62.50000114.1A25 F27 E30 V56 H59 L64A25-V32 HydrophobicContact CB-CG2 4.4Å; A25-V32 VanDerWaalsContact O-CG2 3.31Å; A25-V32 WeakPolarHBondContact O-CG2 3.49Å; A25-V32 PolarHBondContact O-N 3.48Å; F27-V32 HydrophobicContact CB-CG1 3.9Å; F27-V32 HydrophobicContact CB-CG2 4Å; E30-V32 PolarHBondContact O-N 3.17Å; V32-V56 HydrophobicContact CB-CG2 4.47Å; V32-V56 WeakPolarHBondContact O-CG2 3.45Å; V32-V56 PolarHBondContact O-N 2.95Å; V32-H59 HydrophobicContact CB-CB 4.25Å; V32-H59 HydrophobicContact CG2-CB 4.44Å; V32-L64 HydrophobicContact CG2-CD1 4.29Å
33A97.2Very high95.7Very high4 Ų457.3 Ų57.33%0.03331%0.308CS..EExtended strand (participates in β ladder)trans-155154.9170.900000111.8G24 A25 L31 G54 V55 L64 M68G24-A33 CarbonylContact C-O 3.47Å; G24-A33 VanDerWaalsContact CA-O 3.22Å; G24-A33 WeakPolarHBondContact CA-O 3.12Å; A25-A33 HydrophobicContact CB-CB 3.94Å; A25-A33 PolarHBondContact N-O 3.41Å; A25-A33 PolarHBondContact O-N 2.86Å; L31-A33 VanDerWaalsContact CD1-O 3.31Å; L31-A33 WeakPolarHBondContact CD1-O 3.29Å; A33-G54 CarbonylContact C-O 3.42Å; A33-G54 WeakPolarHBondContact CA-O 3.49Å; A33-G54 VanDerWaalsContact CB-O 3.32Å; A33-G54 WeakPolarHBondContact CB-O 3.42Å; A33-V55 HydrophobicContact CB-CB 4.27Å; A33-V55 HydrophobicContact CB-CG1 4.27Å; A33-V55 HydrophobicContact CB-CG2 3.85Å; A33-L64 HydrophobicContact CB-CD1 4.29Å; A33-M68 HydrophobicContact CB-CE 3.64Å; A33-M68 HydrophobicContact CB-SD 3.67Å
34V96.9Very high95.4Very high39 Ų3959.8 Ų59.824%0.23634%0.337CS..EExtended strand (participates in β ladder)trans-137.7149.4175-64.40000110.3C23 L31 L36 T53 G54C23-V34 WeakPolarHBondContact O-CA 3.46Å; L31-V34 HydrophobicContact CD1-CG1 3.98Å; L31-V34 HydrophobicContact CD2-CG1 3.64Å; L31-V34 HydrophobicContact CG-CG1 3.99Å; V34-L36 HydrophobicContact CB-CD2 4.44Å; V34-L36 HydrophobicContact CB-CG 4.45Å; V34-T53 WeakPolarHBondContact O-CA 3.42Å; V34-G54 PolarHBondContact N-O 3.22Å; V34-G54 PolarHBondContact O-N 3.47Å
35L96.6Very high95.4Very high0 Ų062.9 Ų62.90%034%0.343CS..EExtended strand (participates in β ladder)trans-135.2111163.4-176.9166.3000106S22 C23 N37 Y65 M68 M69 C72S22-L35 WeakPolarHBondContact CA-O 3.1Å; S22-L35 VanDerWaalsContact CB-O 3.28Å; S22-L35 WeakPolarHBondContact CB-O 3.48Å; C23-L35 PolarHBondContact N-O 3.49Å; C23-L35 PolarHBondContact O-N 3.1Å; L35-N37 WeakPolarHBondContact CD2-ND2 3.31Å; L35-N37 WeakPolarHBondContact CD2-OD1 3.46Å; L35-Y65 HydrophobicContact CD1-CD2 4.47Å; L35-Y65 HydrophobicContact CD1-CE2 4.01Å; L35-M68 HydrophobicContact CB-CB 4.3Å; L35-M68 HydrophobicContact CB-CE 4.21Å; L35-M68 HydrophobicContact CB-SD 4.45Å; L35-M68 HydrophobicContact CD1-CB 4.26Å; L35-M69 HydrophobicContact CD1-CB 4.06Å; L35-M69 HydrophobicContact CD1-CE 3.94Å; L35-M69 HydrophobicContact CD1-SD 4.34Å; L35-C72 HydrophobicContact CD2-CB 4.37Å
36L97.3Very high95.4Very high19 Ų1966.2 Ų66.210%0.09935%0.354CS..EExtended strand (participates in β ladder)trans-106119.9-174.8-59.2-174.8000110F12 V17 Y19 S22 V34 A51 A52F12-L36 HydrophobicContact CD1-CD1 4.49Å; F12-L36 HydrophobicContact CD2-CD1 3.97Å; F12-L36 HydrophobicContact CE1-CD1 4.17Å; F12-L36 HydrophobicContact CE2-CD1 3.56Å; F12-L36 HydrophobicContact CG-CD1 4.41Å; F12-L36 HydrophobicContact CZ-CD1 3.68Å; V17-L36 HydrophobicContact CG1-CB 4.1Å; Y19-L36 HydrophobicContact CD1-CD2 4.16Å; Y19-L36 HydrophobicContact CE1-CD2 4.13Å; S22-L36 WeakPolarHBondContact OG-CA 3.43Å; V34-L36 HydrophobicContact CB-CD2 4.44Å; V34-L36 HydrophobicContact CB-CG 4.45Å; L36-A51 PolarHBondContact O-N 3.41Å; L36-A52 HydrophobicContact CB-CB 4.35Å; L36-A52 HydrophobicContact CD1-CB 4.28Å; L36-A52 PolarHBondContact N-O 3.11Å; L36-A52 PolarHBondContact O-N 2.91Å
37N97.8Very high95.4Very high0 Ų059.7 Ų59.70%033%0.326CS..EExtended strand (participates in β ladder)trans-100.2117.3-177-70.1-34.2000111V17 R18 L21 S22 L35 F49 Y84V17-N37 CarbonylContact C-O 3.5Å; V17-N37 WeakPolarHBondContact CA-O 3.44Å; R18-N37 PolarHBondContact N-O 2.87Å; L21-N37 PolarHBondContact O-ND2 3.2Å; S22-N37 PolarHBondContact OG-N 3.32Å; L35-N37 WeakPolarHBondContact CD2-ND2 3.31Å; L35-N37 WeakPolarHBondContact CD2-OD1 3.46Å; N37-F49 CarbonylContact C-O 3.53Å; N37-F49 WeakPolarHBondContact CA-O 3.28Å; N37-Y84 VanDerWaalsContact OD1-CE2 3.23Å; N37-Y84 WeakPolarHBondContact OD1-CE2 3.27Å; N37-Y84 PolarHBondContact OD1-OH 3.22Å
38A97.6Very high95.5Very high0 Ų054.5 Ų54.50%030%0.303CS..EExtended strand (participates in β ladder)trans-78.7149.1159.800000110.4E15 N16 V17 A48 F49 A51 F150E15-A38 HydrophobicContact CB-CB 4.39Å; E15-A38 WeakPolarHBondContact O-CB 3.46Å; N16-A38 WeakPolarHBondContact O-CA 3.32Å; V17-A38 HydrophobicContact CG2-CB 4.23Å; A38-A48 CarbonylContact O-C 3.53Å; A38-A48 WeakPolarHBondContact O-CA 3.31Å; A38-F49 PolarHBondContact N-O 3.5Å; A38-F49 PolarHBondContact O-N 3.42Å; A38-A51 HydrophobicContact CB-CB 3.86Å; A38-F150 HydrophobicContact CB-CD1 4.43Å; A38-F150 HydrophobicContact CB-CE1 3.49Å; A38-F150 VanDerWaalsContact CB-CE1 3.49Å; A38-F150 HydrophobicContact CB-CZ 3.87Å
39V97Very high95.6Very high12 Ų1246.7 Ų46.77%0.07327%0.266CS..EExtended strand (participates in β ladder)trans-130.4150.5178.7-530000112.1N16 R18 L21 V47 F81N16-V39 WeakPolarHBondContact ND2-CG2 3.39Å; N16-V39 PolarHBondContact ND2-O 3.3Å; N16-V39 PolarHBondContact O-N 2.9Å; N16-V39 VanDerWaalsContact O-N 3.09Å; R18-V39 HydrophobicContact CB-CG1 4.22Å; R18-V39 HydrophobicContact CG-CB 4.35Å; R18-V39 HydrophobicContact CG-CG1 3.99Å; R18-V39 HydrophobicContact CG-CG2 3.45Å; R18-V39 VanDerWaalsContact CG-CG2 3.45Å; L21-V39 HydrophobicContact CD1-CG1 3.82Å; V39-V47 VanDerWaalsContact CA-O 3.3Å; V39-V47 WeakPolarHBondContact CA-O 3.2Å; V39-F81 HydrophobicContact CB-CE1 3.95Å; V39-F81 HydrophobicContact CB-CZ 4.19Å; V39-F81 HydrophobicContact CG1-CE1 3.74Å; V39-F81 HydrophobicContact CG1-CZ 3.76Å
40G95.7Very high95.7Very high12 Ų1244.4 Ų44.412%0.12424%0.239CC..EExtended strand (participates in β ladder)trans-157.2-176.3173.900000110.9V47G40-V47 PolarHBondContact N-O 3.12Å; G40-V47 PolarHBondContact O-N 3.37Å
41E93.4Very high95.7Very high125 Ų12538.2 Ų38.258%0.58421%0.212SC*.EExtended strand (participates in β ladder)trans-120.6138.1171.9-66.8-174.2176.800109.1E45 E155E41-E45 CarbonylContact C-O 3.57Å; E41-E45 VanDerWaalsContact CA-O 3.26Å; E41-E45 WeakPolarHBondContact CA-O 3.4Å; E41-E155 VanDerWaalsContact O-OE1 3.14Å
42Y89Confident95.5Very high67 Ų6735.3 Ų35.326%0.26320%0.2SC..EExtended strand (participates in β ladder)trans-135124.7176.2-162.7-121.6000109.3G44 E45 T147 R153Y42-G44 PolarHBondContact O-N 3.42Å; Y42-G44 VanDerWaalsContact O-N 3.07Å; Y42-E45 PolarHBondContact N-O 2.94Å; Y42-E45 WeakPolarHBondContact O-CB 3.38Å; Y42-E45 PolarHBondContact O-N 2.9Å; Y42-T147 HydrophobicContact CE2-CG2 4.1Å; Y42-T147 WeakPolarHBondContact OH-CG2 3.29Å; Y42-R153 VanDerWaalsContact CG-NH1 3.32Å
43N87.2Confident95.4Very high136 Ų13637 Ų3773%0.72721%0.211SC*.THydrogen-bonded Turntrans50.234.7-178.8-65.6-19.5000113.8E45N43-E45 VanDerWaalsContact C-N 3.28Å; N43-E45 PolarHBondContact O-N 2.82Å
44G91.8Very high95.1Very high73 Ų7338.3 Ų38.375%0.75323%0.225SC*.THydrogen-bonded Turntrans78.93-177.800000115.2Y42Y42-G44 PolarHBondContact O-N 3.42Å; Y42-G44 VanDerWaalsContact O-N 3.07Å
45E95.1Very high95Very high98 Ų9837.9 Ų37.946%0.45822%0.222SC..EExtended strand (participates in β ladder)trans-101.4140.4177.1-60.2-172.713800111.2E41 Y42 N43 A82E41-E45 CarbonylContact C-O 3.57Å; E41-E45 VanDerWaalsContact CA-O 3.26Å; E41-E45 WeakPolarHBondContact CA-O 3.4Å; Y42-E45 PolarHBondContact N-O 2.94Å; Y42-E45 WeakPolarHBondContact O-CB 3.38Å; Y42-E45 PolarHBondContact O-N 2.9Å; N43-E45 VanDerWaalsContact C-N 3.28Å; N43-E45 PolarHBondContact O-N 2.82Å; E45-A82 HydrophobicContact CB-CB 3.77Å; E45-A82 HydrophobicContact CG-CB 4.28Å
46K96.8Very high94.9Very high87 Ų8740.9 Ų40.938%0.37824%0.24SC..EExtended strand (participates in β ladder)trans-76.9132.3174-69.1-178.7-172.4176.50110.6Y79 F81 A82K46-Y79 PolarHBondContact NZ-O 2.89Å; K46-F81 HydrophobicContact CB-CD1 3.77Å; K46-F81 HydrophobicContact CB-CE1 4.04Å; K46-F81 HydrophobicContact CB-CG 4.13Å; K46-A82 PolarHBondContact O-N 2.76Å
47V97.2Very high94.7Very high2 Ų244.4 Ų44.41%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-124.7134-176-176.70000109.8V39 G40 F81 Y83 F150V39-V47 VanDerWaalsContact CA-O 3.3Å; V39-V47 WeakPolarHBondContact CA-O 3.2Å; G40-V47 PolarHBondContact N-O 3.12Å; G40-V47 PolarHBondContact O-N 3.37Å; V47-F81 VanDerWaalsContact C-CD1 3.49Å; V47-F81 WeakPolarHBondContact O-CE1 3.26Å; V47-Y83 HydrophobicContact CB-CE1 4.37Å; V47-Y83 HydrophobicContact CB-CE2 4.21Å; V47-Y83 HydrophobicContact CG1-CD2 3.77Å; V47-Y83 HydrophobicContact CG1-CE1 4.21Å; V47-Y83 HydrophobicContact CG1-CE2 3.21Å; V47-Y83 HydrophobicContact CG1-CG 4.46Å; V47-Y83 VanDerWaalsContact CG1-CZ 3.46Å; V47-Y83 HydrophobicContact CG2-CD1 4.09Å; V47-Y83 HydrophobicContact CG2-CE1 3.38Å; V47-Y83 HydrophobicContact CG2-CE2 4Å; V47-Y83 WeakPolarHBondContact CG2-OH 3.49Å; V47-F150 HydrophobicContact CB-CE2 4.38Å; V47-F150 HydrophobicContact CG1-CD2 4Å; V47-F150 HydrophobicContact CG1-CE2 4.07Å
48A97.7Very high94.6Very high0 Ų047.9 Ų47.90%029%0.293CS..EExtended strand (participates in β ladder)trans-108.9147.4168.400000110A38 L76 F81 Y83 Y84 G85A38-A48 CarbonylContact O-C 3.53Å; A38-A48 WeakPolarHBondContact O-CA 3.31Å; A48-L76 HydrophobicContact CB-CD1 3.62Å; A48-L76 HydrophobicContact CB-CD2 3.63Å; A48-L76 HydrophobicContact CB-CG 4.26Å; A48-F81 HydrophobicContact CB-CD1 3.83Å; A48-F81 HydrophobicContact CB-CE1 4.1Å; A48-Y83 PolarHBondContact N-O 2.71Å; A48-Y84 HydrophobicContact CB-CD2 3.86Å; A48-Y84 HydrophobicContact CB-CE2 4.4Å; A48-Y84 CarbonylContact O-C 3.47Å; A48-Y84 WeakPolarHBondContact O-CA 3.45Å; A48-G85 PolarHBondContact O-N 3.17Å
49F97.7Very high94.5Very high5 Ų549.3 Ų49.32%0.02230%0.299CS..EExtended strand (participates in β ladder)trans-141136.3-178.7-171.5-93000111N37 A38 A51 G85 E87 F150 E151N37-F49 CarbonylContact C-O 3.53Å; N37-F49 WeakPolarHBondContact CA-O 3.28Å; A38-F49 PolarHBondContact N-O 3.5Å; A38-F49 PolarHBondContact O-N 3.42Å; F49-A51 PolarHBondContact O-N 3.48Å; F49-G85 CarbonylContact C-O 3.53Å; F49-G85 VanDerWaalsContact CA-O 3.26Å; F49-G85 WeakPolarHBondContact CA-O 3.33Å; F49-G85 VanDerWaalsContact CD2-C 3.47Å; F49-G85 WeakPolarHBondContact CD2-O 2.93Å; F49-E87 HydrophobicContact CE2-CG 4.36Å; F49-E87 HydrophobicContact CZ-CB 4.23Å; F49-E87 HydrophobicContact CZ-CG 3.8Å; F49-F150 HydrophobicContact CB-CB 4.14Å; F49-F150 HydrophobicContact CB-CD1 3.56Å; F49-F150 HydrophobicContact CB-CD2 3.52Å; F49-F150 HydrophobicContact CB-CE1 3.84Å; F49-F150 HydrophobicContact CB-CE2 3.74Å; F49-F150 HydrophobicContact CB-CG 3.44Å; F49-F150 VanDerWaalsContact CB-CG 3.44Å; F49-F150 HydrophobicContact CB-CZ 3.92Å; F49-F150 HydrophobicContact CD1-CB 4.13Å; F49-F150 AromaticContact CD1-CD1 3.74Å; F49-F150 HydrophobicContact CD1-CD1 3.74Å; F49-F150 HydrophobicContact CD1-CE1 4.48Å; F49-F150 HydrophobicContact CD1-CG 4.02Å; F49-F150 HydrophobicContact CD2-CB 3.34Å; F49-F150 HydrophobicContact CD2-CD1 4.26Å; F49-F150 HydrophobicContact CD2-CD2 4.18Å; F49-F150 AromaticContact CD2-CG 3.68Å; F49-F150 HydrophobicContact CD2-CG 3.68Å; F49-F150 HydrophobicContact CE1-CB 4.36Å; F49-F150 HydrophobicContact CE1-CD1 4.47Å; F49-F150 HydrophobicContact CE2-CB 3.62Å; F49-F150 HydrophobicContact CE2-CG 4.4Å; F49-F150 HydrophobicContact CG-CB 3.61Å; F49-F150 AromaticContact CG-CD1 3.6Å; F49-F150 HydrophobicContact CG-CD1 3.6Å; F49-F150 AromaticContact CG-CD2 4Å; F49-F150 HydrophobicContact CG-CD2 4Å; F49-F150 HydrophobicContact CG-CE1 4.34Å; F49-F150 AromaticContact CG-CG 3.45Å; F49-F150 HydrophobicContact CG-CG 3.45Å; F49-F150 VanDerWaalsContact CG-CG 3.45Å; F49-F150 HydrophobicContact CZ-CB 4.11Å; F49-E151 HydrophobicContact CD1-CG 4.4Å; F49-E151 HydrophobicContact CE1-CG 4.01Å
50D97.1Very high94.2Very high16 Ų1655.8 Ų55.89%0.08632%0.322CS..EExtended strand (participates in β ladder)trans-68.693.6173.3-166.7-17.7000109.9A52 T53 Y84 G85 L86D50-A52 PolarHBondContact OD1-N 3.29Å; D50-T53 VanDerWaalsContact CG-OG1 3.22Å; D50-T53 PolarHBondContact OD1-N 2.82Å; D50-T53 PolarHBondContact OD1-OG1 3.14Å; D50-T53 PolarHBondContact OD2-OG1 2.95Å; D50-Y84 HydrophobicContact CB-CE1 4.19Å; D50-Y84 VanDerWaalsContact CB-OH 3.23Å; D50-Y84 WeakPolarHBondContact CB-OH 3.4Å; D50-G85 PolarHBondContact N-O 3.31Å; D50-L86 HydrophobicContact CB-CB 3.59Å
51A95.7Very high93.7Very high9 Ų967.3 Ų67.37%0.07436%0.362CS..EExtended strand (participates in β ladder)trans-73.5-35.5176.600000111.2V17 L36 A38 F49V17-A51 HydrophobicContact CG2-CB 3.66Å; L36-A51 PolarHBondContact O-N 3.41Å; A38-A51 HydrophobicContact CB-CB 3.86Å; F49-A51 PolarHBondContact O-N 3.48Å
52A94.2Very high93.6Very high25 Ų2567.3 Ų67.321%0.20736%0.36CS..EExtended strand (participates in β ladder)trans-161.1131.8175.300000112.4F12 L36 D50F12-A52 HydrophobicContact CE1-CB 3.81Å; F12-A52 HydrophobicContact CZ-CB 4Å; L36-A52 HydrophobicContact CB-CB 4.35Å; L36-A52 HydrophobicContact CD1-CB 4.28Å; L36-A52 PolarHBondContact N-O 3.11Å; L36-A52 PolarHBondContact O-N 2.91Å; D50-A52 PolarHBondContact OD1-N 3.29Å
53T93.7Very high93.6Very high49 Ų4965.9 Ų65.930%0.30137%0.366SS..EExtended strand (participates in β ladder)trans-124.7134.8170-76.50000110.7V34 D50 Y65V34-T53 WeakPolarHBondContact O-CA 3.42Å; D50-T53 VanDerWaalsContact CG-OG1 3.22Å; D50-T53 PolarHBondContact OD1-N 2.82Å; D50-T53 PolarHBondContact OD1-OG1 3.14Å; D50-T53 PolarHBondContact OD2-OG1 2.95Å; T53-Y65 HydrophobicContact CG2-CD2 3.55Å; T53-Y65 HydrophobicContact CG2-CE2 3.73Å
54G92.5Very high93.9Very high31 Ų3161 Ų6132%0.3234%0.34SS..EExtended strand (participates in β ladder)trans-143140.8-179.800000112.3A33 V34A33-G54 CarbonylContact C-O 3.42Å; A33-G54 WeakPolarHBondContact CA-O 3.49Å; A33-G54 VanDerWaalsContact CB-O 3.32Å; A33-G54 WeakPolarHBondContact CB-O 3.42Å; V34-G54 PolarHBondContact N-O 3.22Å; V34-G54 PolarHBondContact O-N 3.47Å
55V94.5Very high93.9Very high29 Ų2958.8 Ų58.818%0.17631%0.309CS..EExtended strand (participates in β ladder)trans-134.4124.1169.7-176.30000108.5A33 H59 R60 L64A33-V55 HydrophobicContact CB-CB 4.27Å; A33-V55 HydrophobicContact CB-CG1 4.27Å; A33-V55 HydrophobicContact CB-CG2 3.85Å; V55-H59 HydrophobicContact CG1-CB 4.14Å; V55-R60 HydrophobicContact CB-CG 4.05Å; V55-R60 HydrophobicContact CG1-CG 3.86Å; V55-R60 PolarHBondContact O-NE 3.48Å; V55-L64 HydrophobicContact CG1-CD1 4.08Å
56V94.3Very high93.7Very high64 Ų6456.3 Ų56.339%0.38830%0.302SS..  trans-53133.1176172.40000109.1V32 A58 H59 R60V32-V56 HydrophobicContact CB-CG2 4.47Å; V32-V56 WeakPolarHBondContact O-CG2 3.45Å; V32-V56 PolarHBondContact O-N 2.95Å; V56-A58 VanDerWaalsContact C-N 3.27Å; V56-A58 PolarHBondContact O-N 3.34Å; V56-A58 VanDerWaalsContact O-N 3.09Å; V56-H59 WeakPolarHBondContact O-CA 3.39Å; V56-H59 PolarHBondContact O-N 3.4Å; V56-R60 PolarHBondContact O-N 2.81Å
57P93.8Very high93.5Very high92 Ų9259 Ų5960%0.59731%0.314SS*.G310 helixtrans-48.6-42.2-172.8-31.836.1000115.3H59 R60P57-H59 PolarHBondContact O-N 3.04Å; P57-R60 PolarHBondContact O-N 3.4Å
58A95.7Very high93.5Very high73 Ų7359.3 Ų59.360%0.60332%0.315SS*.G310 helixtrans-66.2-15.3178.800000114.5V56 K62V56-A58 VanDerWaalsContact C-N 3.27Å; V56-A58 PolarHBondContact O-N 3.34Å; V56-A58 VanDerWaalsContact O-N 3.09Å; A58-K62 WeakPolarHBondContact O-CE 3.44Å; A58-K62 PolarHBondContact O-NZ 2.85Å
59H94.6Very high93.3Very high30 Ų3059.3 Ų59.314%0.13932%0.315CS..G310 helixtrans-109.51.4-179-63.3-92.9000113.4F27 V32 V55 V56 P57 L64F27-H59 AromaticContact CD1-CE1 3.6Å; F27-H59 AromaticContact CG-CE1 3.75Å; V32-H59 HydrophobicContact CB-CB 4.25Å; V32-H59 HydrophobicContact CG2-CB 4.44Å; V55-H59 HydrophobicContact CG1-CB 4.14Å; V56-H59 WeakPolarHBondContact O-CA 3.39Å; V56-H59 PolarHBondContact O-N 3.4Å; P57-H59 PolarHBondContact O-N 3.04Å; H59-L64 HydrophobicContact CB-CD1 3.85Å
60R90.4Very high93.1Very high148 Ų14863.7 Ų63.756%0.55834%0.339SS*.THydrogen-bonded Turntrans-67.3158.4177-67.5179.1-175.7174.5-1.8112.2V55 V56 P57 K62V55-R60 HydrophobicContact CB-CG 4.05Å; V55-R60 HydrophobicContact CG1-CG 3.86Å; V55-R60 PolarHBondContact O-NE 3.48Å; V56-R60 PolarHBondContact O-N 2.81Å; P57-R60 PolarHBondContact O-N 3.4Å; R60-K62 PolarHBondContact O-N 2.93Å
61R86.4Confident93Very high255 Ų25569.4 Ų69.496%0.96236%0.36SS*.THydrogen-bonded Turntrans59.920.7179.4-56.3-176-67.4-124.3-0.3114.9
62K89.5Confident93Very high124 Ų12469 Ų6954%0.53936%0.357SS..SBendtrans-101.114174.1-61.8179.2-177.6172.60113.2A58 R60 L64A58-K62 WeakPolarHBondContact O-CE 3.44Å; A58-K62 PolarHBondContact O-NZ 2.85Å; R60-K62 PolarHBondContact O-N 2.93Å; K62-L64 VanDerWaalsContact C-N 3.26Å; K62-L64 HydrophobicContact CB-CG 4.46Å; K62-L64 PolarHBondContact O-N 3.38Å
63G90.2Very high93Very high37 Ų3768.7 Ų68.738%0.38135%0.352SS..SBendtrans70.914.4-178.400000115.1Y65 S66 K67G63-Y65 PolarHBondContact O-N 2.85Å; G63-S66 PolarHBondContact O-N 3.15Å; G63-K67 WeakPolarHBondContact O-CG 3.21Å; G63-K67 PolarHBondContact O-N 2.95Å
64L92.7Very high93.1Very high35 Ų3572.1 Ų72.118%0.18337%0.365CS..Hα-helixtrans-60.7-43.4-177.9-69.5178.7000112.7A25 V32 A33 V55 H59 K62 S66 K67 M68A25-L64 HydrophobicContact CB-CD2 4.2Å; V32-L64 HydrophobicContact CG2-CD1 4.29Å; A33-L64 HydrophobicContact CB-CD1 4.29Å; V55-L64 HydrophobicContact CG1-CD1 4.08Å; H59-L64 HydrophobicContact CB-CD1 3.85Å; K62-L64 VanDerWaalsContact C-N 3.26Å; K62-L64 HydrophobicContact CB-CG 4.46Å; K62-L64 PolarHBondContact O-N 3.38Å; L64-S66 PolarHBondContact O-N 2.91Å; L64-K67 PolarHBondContact O-N 3.32Å; L64-M68 WeakPolarHBondContact O-CB 3.39Å; L64-M68 WeakPolarHBondContact O-CG 3.2Å; L64-M68 PolarHBondContact O-N 3.19Å
65Y91.4Very high93.2Very high25 Ų2572 Ų7210%0.09836%0.356CS..Hα-helixtrans-57.4-50.7177.9177.2-98000111.9L35 T53 G63 K67 M68 M69 T98 Y99 M102L35-Y65 HydrophobicContact CD1-CD2 4.47Å; L35-Y65 HydrophobicContact CD1-CE2 4.01Å; T53-Y65 HydrophobicContact CG2-CD2 3.55Å; T53-Y65 HydrophobicContact CG2-CE2 3.73Å; G63-Y65 PolarHBondContact O-N 2.85Å; Y65-K67 VanDerWaalsContact C-N 3.3Å; Y65-K67 PolarHBondContact O-N 3.28Å; Y65-M68 PolarHBondContact O-N 3.46Å; Y65-M68 VanDerWaalsContact O-N 3.15Å; Y65-M69 HydrophobicContact CE1-CB 4.34Å; Y65-M69 HydrophobicContact CE1-CE 4.29Å; Y65-M69 HydrophobicContact CE2-CE 4.24Å; Y65-M69 WeakPolarHBondContact O-CB 3.28Å; Y65-M69 PolarHBondContact O-N 3.39Å; Y65-M69 WeakPolarHBondContact OH-CE 3.3Å; Y65-T98 HydrophobicContact CD1-CG2 3.67Å; Y65-T98 HydrophobicContact CE1-CG2 4.05Å; Y65-Y99 HydrophobicContact CD1-CE1 4.3Å; Y65-Y99 AromaticContact CE1-CD1 3.61Å; Y65-Y99 HydrophobicContact CE1-CD1 3.61Å; Y65-Y99 AromaticContact CE1-CE1 3.48Å; Y65-Y99 HydrophobicContact CE1-CE1 3.48Å; Y65-Y99 VanDerWaalsContact CE1-CE1 3.48Å; Y65-Y99 AromaticContact CE2-CE1 3.9Å; Y65-Y99 HydrophobicContact CE2-CE1 3.9Å; Y65-Y99 AromaticContact CZ-CD1 3.68Å; Y65-Y99 AromaticContact CZ-CE1 3.23Å; Y65-Y99 VanDerWaalsContact OH-CD1 3.28Å; Y65-Y99 WeakPolarHBondContact OH-CD1 3.44Å; Y65-Y99 WeakPolarHBondContact OH-CE1 3.41Å; Y65-M102 HydrophobicContact CD1-SD 3.84Å; Y65-M102 HydrophobicContact CE1-SD 3.47Å; Y65-M102 WeakPolarHBondContact CE1-SD 3.3Å
66S91.3Very high93.3Very high46 Ų4670.6 Ų70.632%0.32235%0.348SS..Hα-helixtrans-58.2-43.3179.7-56.20000111.6G63 L64 M69 D70G63-S66 PolarHBondContact O-N 3.15Å; L64-S66 PolarHBondContact O-N 2.91Å; S66-M69 PolarHBondContact O-N 3.46Å; S66-D70 WeakPolarHBondContact O-CB 3.22Å; S66-D70 PolarHBondContact O-N 3.34Å
67K94.1Very high93.4Very high143 Ų14372.2 Ų72.262%0.62235%0.35SS*.Hα-helixtrans-63.1-43.2176.2-68.6179.6177-172.20113.1G63 L64 Y65 M69 Y71G63-K67 WeakPolarHBondContact O-CG 3.21Å; G63-K67 PolarHBondContact O-N 2.95Å; L64-K67 PolarHBondContact O-N 3.32Å; Y65-K67 VanDerWaalsContact C-N 3.3Å; Y65-K67 PolarHBondContact O-N 3.28Å; K67-M69 VanDerWaalsContact C-N 3.35Å; K67-Y71 WeakPolarHBondContact O-CB 3.49Å; K67-Y71 PolarHBondContact O-N 2.99Å; K67-Y71 VanDerWaalsContact O-N 3.11Å
68M95.8Very high93.5Very high9 Ų974.1 Ų74.14%0.04435%0.351CS..Hα-helixtrans-64.1-42178.1-77.4-167.8-49.200111.4C23 A25 A33 L35 L64 Y65 Y71 C72C23-M68 WeakPolarHBondContact SG-CB 3.5Å; C23-M68 VanDerWaalsContact SG-CG 3.55Å; C23-M68 PolarHBondContact SG-O 3.09Å; A25-M68 HydrophobicContact CB-CG 4.43Å; A25-M68 HydrophobicContact CB-SD 4.1Å; A33-M68 HydrophobicContact CB-CE 3.64Å; A33-M68 HydrophobicContact CB-SD 3.67Å; L35-M68 HydrophobicContact CB-CB 4.3Å; L35-M68 HydrophobicContact CB-CE 4.21Å; L35-M68 HydrophobicContact CB-SD 4.45Å; L35-M68 HydrophobicContact CD1-CB 4.26Å; L64-M68 WeakPolarHBondContact O-CB 3.39Å; L64-M68 WeakPolarHBondContact O-CG 3.2Å; L64-M68 PolarHBondContact O-N 3.19Å; Y65-M68 PolarHBondContact O-N 3.46Å; Y65-M68 VanDerWaalsContact O-N 3.15Å; M68-Y71 PolarHBondContact O-N 3.21Å; M68-C72 PolarHBondContact O-N 3.5Å; M68-C72 PolarHBondContact O-SG 3.02Å
69M94.3Very high93.5Very high0 Ų075.9 Ų75.90%034%0.342CS..Hα-helixtrans-68.7-44.5177.5177.764.577.700111.7L35 Y65 S66 K67 Y71 C72 L73 Y84 M102 M247L35-M69 HydrophobicContact CD1-CB 4.06Å; L35-M69 HydrophobicContact CD1-CE 3.94Å; L35-M69 HydrophobicContact CD1-SD 4.34Å; Y65-M69 HydrophobicContact CE1-CB 4.34Å; Y65-M69 HydrophobicContact CE1-CE 4.29Å; Y65-M69 HydrophobicContact CE2-CE 4.24Å; Y65-M69 WeakPolarHBondContact O-CB 3.28Å; Y65-M69 PolarHBondContact O-N 3.39Å; Y65-M69 WeakPolarHBondContact OH-CE 3.3Å; S66-M69 PolarHBondContact O-N 3.46Å; K67-M69 VanDerWaalsContact C-N 3.35Å; M69-Y71 PolarHBondContact O-N 3.19Å; M69-C72 PolarHBondContact O-N 3.01Å; M69-C72 VanDerWaalsContact O-N 3.14Å; M69-L73 HydrophobicContact CG-CD1 3.8Å; M69-L73 HydrophobicContact CG-CG 4.19Å; M69-L73 WeakPolarHBondContact O-CB 3.39Å; M69-L73 VanDerWaalsContact O-CG 3.31Å; M69-L73 WeakPolarHBondContact O-CG 3.47Å; M69-L73 PolarHBondContact O-N 3.17Å; M69-L73 HydrophobicContact SD-CD1 4.02Å; M69-L73 HydrophobicContact SD-CD2 4.27Å; M69-L73 HydrophobicContact SD-CG 3.85Å; M69-Y84 HydrophobicContact CE-CD1 4.14Å; M69-Y84 HydrophobicContact CE-CE1 3.38Å; M69-Y84 HydrophobicContact CE-CE2 4.47Å; M69-Y84 HydrophobicContact SD-CD1 4.39Å; M69-Y84 HydrophobicContact SD-CE1 4.04Å; M69-Y84 HydrophobicContact SD-CE2 4.37Å; M69-M102 HydrophobicContact CB-CE 3.46Å; M69-M102 VanDerWaalsContact CB-CE 3.46Å; M69-M102 HydrophobicContact CB-SD 3.9Å; M69-M102 HydrophobicContact CG-CE 3.16Å; M69-M102 HydrophobicContact CG-SD 3.77Å; M69-M247 HydrophobicContact CG-CE 4.48Å; M69-M247 HydrophobicContact SD-CE 3.95Å
70D93.9Very high93.6Very high98 Ų9880.7 Ų80.752%0.52437%0.369SS..Hα-helixtrans-56-42.7175.2-67.3-20.6000111.1S66 E74S66-D70 WeakPolarHBondContact O-CB 3.22Å; S66-D70 PolarHBondContact O-N 3.34Å; D70-E74 PolarHBondContact O-N 3.23Å
71Y95Very high93.9Very high135 Ų13574.5 Ų74.553%0.52935%0.347SS..Hα-helixtrans-63.7-47.7175175.9-93.5000112.6C23 K67 M68 M69 L73 E74 L75C23-Y71 HydrophobicContact CB-CD1 3.64Å; C23-Y71 HydrophobicContact CB-CE1 3.84Å; K67-Y71 WeakPolarHBondContact O-CB 3.49Å; K67-Y71 PolarHBondContact O-N 2.99Å; K67-Y71 VanDerWaalsContact O-N 3.11Å; M68-Y71 PolarHBondContact O-N 3.21Å; M69-Y71 PolarHBondContact O-N 3.19Å; Y71-L73 VanDerWaalsContact C-N 3.34Å; Y71-L73 PolarHBondContact O-N 3.08Å; Y71-E74 PolarHBondContact O-N 3.1Å; Y71-L75 HydrophobicContact CD1-CD1 4.02Å; Y71-L75 HydrophobicContact CE1-CD1 3.36Å; Y71-L75 HydrophobicContact CE1-CG 4.29Å; Y71-L75 PolarHBondContact O-N 3.16Å
72C95.6Very high94.4Very high0 Ų063.9 Ų63.90%031%0.313CS..Hα-helixtrans-64.2-40.8179.6-66.50000111.4C23 L35 M68 M69 E74 L75 L76C23-C72 PolarHBondContact SG-SG 3.21Å; L35-C72 HydrophobicContact CD2-CB 4.37Å; M68-C72 PolarHBondContact O-N 3.5Å; M68-C72 PolarHBondContact O-SG 3.02Å; M69-C72 PolarHBondContact O-N 3.01Å; M69-C72 VanDerWaalsContact O-N 3.14Å; C72-E74 VanDerWaalsContact C-N 3.32Å; C72-E74 PolarHBondContact O-N 3.47Å; C72-L75 WeakPolarHBondContact O-CB 3.49Å; C72-L75 PolarHBondContact O-N 2.98Å; C72-L75 VanDerWaalsContact O-N 3.17Å; C72-L76 WeakPolarHBondContact O-CG 3.11Å; C72-L76 PolarHBondContact O-N 2.71Å
73L94.4Very high94.7Very high19 Ų1959.4 Ų59.410%0.09929%0.293CS..Hα-helixtrans-63.8-37.8179.8-71.9169.5000113M69 Y71 L75 L76 K77 Y84 M247M69-L73 HydrophobicContact CG-CD1 3.8Å; M69-L73 HydrophobicContact CG-CG 4.19Å; M69-L73 WeakPolarHBondContact O-CB 3.39Å; M69-L73 VanDerWaalsContact O-CG 3.31Å; M69-L73 WeakPolarHBondContact O-CG 3.47Å; M69-L73 PolarHBondContact O-N 3.17Å; M69-L73 HydrophobicContact SD-CD1 4.02Å; M69-L73 HydrophobicContact SD-CD2 4.27Å; M69-L73 HydrophobicContact SD-CG 3.85Å; Y71-L73 VanDerWaalsContact C-N 3.34Å; Y71-L73 PolarHBondContact O-N 3.08Å; L73-L75 VanDerWaalsContact C-N 3.32Å; L73-L75 PolarHBondContact O-N 2.8Å; L73-L76 HydrophobicContact CD2-CD1 4.45Å; L73-L76 PolarHBondContact O-N 2.93Å; L73-K77 WeakPolarHBondContact O-CB 3.4Å; L73-K77 VanDerWaalsContact O-CG 3.28Å; L73-K77 WeakPolarHBondContact O-CG 3.22Å; L73-K77 PolarHBondContact O-N 3.2Å; L73-Y84 HydrophobicContact CD2-CG 4.48Å; L73-M247 HydrophobicContact CD1-CE 3.44Å; L73-M247 VanDerWaalsContact CD1-CE 3.44Å; L73-M247 HydrophobicContact CD2-CE 3.35Å; L73-M247 HydrophobicContact CG-CE 3.87Å
74E95.1Very high95Very high122 Ų12257.7 Ų57.757%0.5728%0.275SS*.Hα-helixtrans-62.7-41.8174.8-166.960.3-15300111.4D70 Y71 C72 Q78D70-E74 PolarHBondContact O-N 3.23Å; Y71-E74 PolarHBondContact O-N 3.1Å; C72-E74 VanDerWaalsContact C-N 3.32Å; C72-E74 PolarHBondContact O-N 3.47Å; E74-Q78 WeakPolarHBondContact O-CB 2.7Å; E74-Q78 PolarHBondContact O-N 3.09Å; E74-Q78 VanDerWaalsContact O-N 3.08Å
75L95.1Very high95.2Very high28 Ų2856.1 Ų56.115%0.14727%0.268CS..Hα-helixtrans-62.4-48173.5-69.7174.7000111.5Y71 C72 L73 K77 Q78 Y79Y71-L75 HydrophobicContact CD1-CD1 4.02Å; Y71-L75 HydrophobicContact CE1-CD1 3.36Å; Y71-L75 HydrophobicContact CE1-CG 4.29Å; Y71-L75 PolarHBondContact O-N 3.16Å; C72-L75 WeakPolarHBondContact O-CB 3.49Å; C72-L75 PolarHBondContact O-N 2.98Å; C72-L75 VanDerWaalsContact O-N 3.17Å; L73-L75 VanDerWaalsContact C-N 3.32Å; L73-L75 PolarHBondContact O-N 2.8Å; L75-K77 VanDerWaalsContact C-N 3.34Å; L75-K77 PolarHBondContact O-N 3.07Å; L75-Q78 WeakPolarHBondContact O-CB 3.3Å; L75-Q78 PolarHBondContact O-N 3.31Å; L75-Q78 VanDerWaalsContact O-N 3.1Å; L75-Y79 WeakPolarHBondContact O-CD2 3.35Å; L75-Y79 PolarHBondContact O-N 2.86Å; L75-Y79 VanDerWaalsContact O-N 3.08Å
76L96.2Very high95.5Very high0 Ų055 Ų550%026%0.263CS..Hα-helixtrans-61.6-41.6-177.9-67.9175.6000111.9A48 C72 L73 Q78 Y79 N80 F81 Y84A48-L76 HydrophobicContact CB-CD1 3.62Å; A48-L76 HydrophobicContact CB-CD2 3.63Å; A48-L76 HydrophobicContact CB-CG 4.26Å; C72-L76 WeakPolarHBondContact O-CG 3.11Å; C72-L76 PolarHBondContact O-N 2.71Å; L73-L76 HydrophobicContact CD2-CD1 4.45Å; L73-L76 PolarHBondContact O-N 2.93Å; L76-Q78 PolarHBondContact O-N 3Å; L76-Y79 CarbonylContact O-C 3.58Å; L76-Y79 PolarHBondContact O-N 2.97Å; L76-N80 PolarHBondContact O-N 3.16Å; L76-F81 HydrophobicContact CB-CB 4.03Å; L76-F81 HydrophobicContact CB-CD2 4.2Å; L76-F81 HydrophobicContact CB-CG 4.25Å; L76-F81 HydrophobicContact CD2-CB 4.41Å; L76-F81 HydrophobicContact CD2-CD1 4.12Å; L76-F81 HydrophobicContact CD2-CD2 3.61Å; L76-F81 HydrophobicContact CD2-CE1 4.31Å; L76-F81 HydrophobicContact CD2-CE2 3.81Å; L76-F81 HydrophobicContact CD2-CG 3.77Å; L76-F81 HydrophobicContact CD2-CZ 4.16Å; L76-F81 WeakPolarHBondContact O-CD2 3.16Å; L76-F81 PolarHBondContact O-N 3.28Å; L76-Y84 HydrophobicContact CD1-CD2 3.48Å; L76-Y84 VanDerWaalsContact CD1-CD2 3.48Å; L76-Y84 HydrophobicContact CD1-CE2 4.01Å
77K95.5Very high95.8Very high98 Ų9854.5 Ų54.543%0.42626%0.256SS..Hα-helixtrans-57.3-47.9170.8-75.6168.9-179.6171.20111.9L73 L75 Y79 N80 C249L73-K77 WeakPolarHBondContact O-CB 3.4Å; L73-K77 VanDerWaalsContact O-CG 3.28Å; L73-K77 WeakPolarHBondContact O-CG 3.22Å; L73-K77 PolarHBondContact O-N 3.2Å; L75-K77 VanDerWaalsContact C-N 3.34Å; L75-K77 PolarHBondContact O-N 3.07Å; K77-Y79 PolarHBondContact O-N 2.84Å; K77-N80 PolarHBondContact O-N 2.83Å; K77-C249 WeakPolarHBondContact CD-OXT 3.42Å; K77-C249 WeakPolarHBondContact CE-OXT 3.25Å; K77-C249 WeakPolarHBondContact CG-OXT 3.45Å
78Q96Very high96Very high132 Ų13248 Ų4862%0.61723%0.228SC*.Hα-helixtrans-58.8-32.6179.7-171-177-12.500112.5E74 L75 L76E74-Q78 WeakPolarHBondContact O-CB 2.7Å; E74-Q78 PolarHBondContact O-N 3.09Å; E74-Q78 VanDerWaalsContact O-N 3.08Å; L75-Q78 WeakPolarHBondContact O-CB 3.3Å; L75-Q78 PolarHBondContact O-N 3.31Å; L75-Q78 VanDerWaalsContact O-N 3.1Å; L76-Q78 PolarHBondContact O-N 3Å
79Y96Very high96Very high109 Ų10951.2 Ų51.243%0.42725%0.245SC..THydrogen-bonded Turntrans-93.59.4178.5-68.8-70.9000114.7L21 K46 L75 L76 K77L21-Y79 HydrophobicContact CD2-CD2 3.53Å; L21-Y79 HydrophobicContact CD2-CE2 3.81Å; L21-Y79 HydrophobicContact CD2-CG 4.32Å; K46-Y79 PolarHBondContact NZ-O 2.89Å; L75-Y79 WeakPolarHBondContact O-CD2 3.35Å; L75-Y79 PolarHBondContact O-N 2.86Å; L75-Y79 VanDerWaalsContact O-N 3.08Å; L76-Y79 CarbonylContact O-C 3.58Å; L76-Y79 PolarHBondContact O-N 2.97Å; K77-Y79 PolarHBondContact O-N 2.84Å
80N96.3Very high96.2Very high132 Ų13253.3 Ų53.371%0.70625%0.254SS*.THydrogen-bonded Turntrans57.144.5179.6-50.9-76.9000112.9L76 K77L76-N80 PolarHBondContact O-N 3.16Å; K77-N80 PolarHBondContact O-N 2.83Å
81F97.8Very high96.4Very high18 Ų1854.3 Ų54.38%0.07926%0.264CS..  trans-68.4139.1163.2-77.6-97.5000109.2L21 V39 K46 V47 A48 L76 C249L21-F81 HydrophobicContact CD1-CE2 3.76Å; L21-F81 HydrophobicContact CD1-CZ 3.59Å; V39-F81 HydrophobicContact CB-CE1 3.95Å; V39-F81 HydrophobicContact CB-CZ 4.19Å; V39-F81 HydrophobicContact CG1-CE1 3.74Å; V39-F81 HydrophobicContact CG1-CZ 3.76Å; K46-F81 HydrophobicContact CB-CD1 3.77Å; K46-F81 HydrophobicContact CB-CE1 4.04Å; K46-F81 HydrophobicContact CB-CG 4.13Å; V47-F81 VanDerWaalsContact C-CD1 3.49Å; V47-F81 WeakPolarHBondContact O-CE1 3.26Å; A48-F81 HydrophobicContact CB-CD1 3.83Å; A48-F81 HydrophobicContact CB-CE1 4.1Å; L76-F81 HydrophobicContact CB-CB 4.03Å; L76-F81 HydrophobicContact CB-CD2 4.2Å; L76-F81 HydrophobicContact CB-CG 4.25Å; L76-F81 HydrophobicContact CD2-CB 4.41Å; L76-F81 HydrophobicContact CD2-CD1 4.12Å; L76-F81 HydrophobicContact CD2-CD2 3.61Å; L76-F81 HydrophobicContact CD2-CE1 4.31Å; L76-F81 HydrophobicContact CD2-CE2 3.81Å; L76-F81 HydrophobicContact CD2-CG 3.77Å; L76-F81 HydrophobicContact CD2-CZ 4.16Å; L76-F81 WeakPolarHBondContact O-CD2 3.16Å; L76-F81 PolarHBondContact O-N 3.28Å; F81-C249 HydrophobicContact CB-CB 4.33Å; F81-C249 VanDerWaalsContact O-CB 3.22Å; F81-C249 WeakPolarHBondContact O-CB 3.49Å
82A96.6Very high96.4Very high31 Ų3151.5 Ų51.526%0.25626%0.258SS..  trans-81.3-43.2-179.700000111.1E45 K46 C249E45-A82 HydrophobicContact CB-CB 3.77Å; E45-A82 HydrophobicContact CG-CB 4.28Å; K46-A82 PolarHBondContact O-N 2.76Å; A82-C249 PolarHBondContact O-N 2.82Å
83Y96.2Very high96.3Very high31 Ų3159.3 Ų59.312%0.12229%0.292CS..EExtended strand (participates in β ladder)trans-151.8160.5-179.868.1-94.4000113.6V47 A48 K246 M247 C249V47-Y83 HydrophobicContact CB-CE1 4.37Å; V47-Y83 HydrophobicContact CB-CE2 4.21Å; V47-Y83 HydrophobicContact CG1-CD2 3.77Å; V47-Y83 HydrophobicContact CG1-CE1 4.21Å; V47-Y83 HydrophobicContact CG1-CE2 3.21Å; V47-Y83 HydrophobicContact CG1-CG 4.46Å; V47-Y83 VanDerWaalsContact CG1-CZ 3.46Å; V47-Y83 HydrophobicContact CG2-CD1 4.09Å; V47-Y83 HydrophobicContact CG2-CE1 3.38Å; V47-Y83 HydrophobicContact CG2-CE2 4Å; V47-Y83 WeakPolarHBondContact CG2-OH 3.49Å; A48-Y83 PolarHBondContact N-O 2.71Å; Y83-K246 VanDerWaalsContact CB-CE 3.4Å; Y83-K246 HydrophobicContact CD1-CD 4.46Å; Y83-K246 HydrophobicContact CD2-CD 3.55Å; Y83-K246 HydrophobicContact CD2-CG 3.81Å; Y83-K246 HydrophobicContact CE2-CD 3.97Å; Y83-K246 HydrophobicContact CG-CD 3.82Å; Y83-K246 HydrophobicContact CG-CG 4.23Å; Y83-K246 VanDerWaalsContact CG-NZ 3.34Å; Y83-M247 WeakPolarHBondContact CA-O 3.09Å; Y83-M247 VanDerWaalsContact CB-O 3.3Å; Y83-M247 WeakPolarHBondContact CB-O 3.23Å; Y83-C249 VanDerWaalsContact C-SG 3.5Å
84Y96.9Very high96.2Very high0 Ų062.7 Ų62.70%032%0.316CS..EExtended strand (participates in β ladder)trans-114.4129.9175.8-172.9-88.9000110.1N37 A48 D50 M69 L73 L76 L86 L104 K246 M247N37-Y84 VanDerWaalsContact OD1-CE2 3.23Å; N37-Y84 WeakPolarHBondContact OD1-CE2 3.27Å; N37-Y84 PolarHBondContact OD1-OH 3.22Å; A48-Y84 HydrophobicContact CB-CD2 3.86Å; A48-Y84 HydrophobicContact CB-CE2 4.4Å; A48-Y84 CarbonylContact O-C 3.47Å; A48-Y84 WeakPolarHBondContact O-CA 3.45Å; D50-Y84 HydrophobicContact CB-CE1 4.19Å; D50-Y84 VanDerWaalsContact CB-OH 3.23Å; D50-Y84 WeakPolarHBondContact CB-OH 3.4Å; M69-Y84 HydrophobicContact CE-CD1 4.14Å; M69-Y84 HydrophobicContact CE-CE1 3.38Å; M69-Y84 HydrophobicContact CE-CE2 4.47Å; M69-Y84 HydrophobicContact SD-CD1 4.39Å; M69-Y84 HydrophobicContact SD-CE1 4.04Å; M69-Y84 HydrophobicContact SD-CE2 4.37Å; L73-Y84 HydrophobicContact CD2-CG 4.48Å; L76-Y84 HydrophobicContact CD1-CD2 3.48Å; L76-Y84 VanDerWaalsContact CD1-CD2 3.48Å; L76-Y84 HydrophobicContact CD1-CE2 4.01Å; Y84-L86 HydrophobicContact CE1-CD2 4.44Å; Y84-L104 HydrophobicContact CD1-CD2 4.29Å; Y84-K246 CarbonylContact O-C 3.58Å; Y84-K246 VanDerWaalsContact O-CA 3.31Å; Y84-K246 WeakPolarHBondContact O-CA 3.2Å; Y84-M247 HydrophobicContact CD1-CE 4Å; Y84-M247 HydrophobicContact CG-CE 4.2Å; Y84-M247 PolarHBondContact N-O 2.88Å; Y84-M247 PolarHBondContact O-N 3.29Å
85G96.7Very high96.1Very high3 Ų357.5 Ų57.53%0.03129%0.294CS..EExtended strand (participates in β ladder)trans-119.3159.517800000113.5A48 F49 D50 M245A48-G85 PolarHBondContact O-N 3.17Å; F49-G85 CarbonylContact C-O 3.53Å; F49-G85 VanDerWaalsContact CA-O 3.26Å; F49-G85 WeakPolarHBondContact CA-O 3.33Å; F49-G85 VanDerWaalsContact CD2-C 3.47Å; F49-G85 WeakPolarHBondContact CD2-O 2.93Å; D50-G85 PolarHBondContact N-O 3.31Å; G85-M245 CarbonylContact C-O 3.1Å; G85-M245 VanDerWaalsContact CA-O 3.26Å; G85-M245 WeakPolarHBondContact CA-O 3.23Å
86L97.4Very high96.1Very high2 Ų256.8 Ų56.81%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-153.9166.4166.865.481.1000111.3D50 Y84 V88 Y99 L104 E244 M245D50-L86 HydrophobicContact CB-CB 3.59Å; Y84-L86 HydrophobicContact CE1-CD2 4.44Å; L86-V88 HydrophobicContact CD1-CB 3.94Å; L86-V88 HydrophobicContact CD1-CG1 4.04Å; L86-Y99 HydrophobicContact CD1-CD2 3.66Å; L86-Y99 HydrophobicContact CD1-CE2 3.76Å; L86-Y99 HydrophobicContact CD1-CG 4.37Å; L86-Y99 HydrophobicContact CD2-CD1 3.93Å; L86-Y99 HydrophobicContact CD2-CD2 3.88Å; L86-Y99 HydrophobicContact CD2-CE1 4.08Å; L86-Y99 HydrophobicContact CD2-CE2 3.99Å; L86-Y99 HydrophobicContact CD2-CG 3.83Å; L86-Y99 HydrophobicContact CG-CD2 4.46Å; L86-L104 HydrophobicContact CD2-CD2 3.49Å; L86-L104 VanDerWaalsContact CD2-CD2 3.49Å; L86-L104 HydrophobicContact CG-CD2 3.63Å; L86-E244 WeakPolarHBondContact O-CA 3.34Å; L86-M245 HydrophobicContact CD1-CB 3.95Å; L86-M245 HydrophobicContact CD1-CG 4.15Å; L86-M245 HydrophobicContact CD1-SD 4.24Å; L86-M245 HydrophobicContact CG-CB 4.21Å; L86-M245 PolarHBondContact N-O 2.81Å; L86-M245 PolarHBondContact O-N 3.34Å
87E97.5Very high96Very high35 Ų3559.8 Ų59.816%0.16432%0.315CS..EExtended strand (participates in β ladder)trans-116.2138.4167-76.1170.1-160.400111.4F49 S149 N219 F243 E244F49-E87 HydrophobicContact CE2-CG 4.36Å; F49-E87 HydrophobicContact CZ-CB 4.23Å; F49-E87 HydrophobicContact CZ-CG 3.8Å; E87-S149 WeakPolarHBondContact OE1-CB 3.44Å; E87-S149 PolarHBondContact OE1-OG 3Å; E87-N219 PolarHBondContact OE1-ND2 3.08Å; E87-N219 PolarHBondContact OE2-ND2 2.85Å; E87-F243 CarbonylContact C-O 3.54Å; E87-F243 VanDerWaalsContact CA-O 3.31Å; E87-F243 WeakPolarHBondContact CA-O 3.28Å; E87-E244 HydrophobicContact CG-CG 4.46Å
88V96.9Very high95.8Very high7 Ų757.5 Ų57.54%0.04231%0.309CS..EExtended strand (participates in β ladder)trans-138.4133.1-179.562.10000111.7L86 Q90 N92 A95 V96 Y99 Q242 F243 M245L86-V88 HydrophobicContact CD1-CB 3.94Å; L86-V88 HydrophobicContact CD1-CG1 4.04Å; V88-Q90 PolarHBondContact O-N 3.45Å; V88-N92 HydrophobicContact CG2-CB 4.34Å; V88-A95 HydrophobicContact CG2-CB 3.92Å; V88-V96 HydrophobicContact CG1-CG2 3.88Å; V88-V96 HydrophobicContact CG2-CG2 3.94Å; V88-Y99 HydrophobicContact CB-CD2 4.08Å; V88-Y99 HydrophobicContact CB-CE2 3.73Å; V88-Y99 HydrophobicContact CG1-CD2 4.12Å; V88-Y99 HydrophobicContact CG1-CE2 4.3Å; V88-Y99 HydrophobicContact CG2-CD2 4.12Å; V88-Y99 HydrophobicContact CG2-CE2 3.61Å; V88-Q242 CarbonylContact O-C 3.54Å; V88-Q242 WeakPolarHBondContact O-CA 3.29Å; V88-F243 HydrophobicContact CG1-CB 3.91Å; V88-F243 HydrophobicContact CG1-CD2 4.32Å; V88-F243 PolarHBondContact N-O 2.71Å; V88-F243 PolarHBondContact O-N 3.16Å; V88-M245 HydrophobicContact CG1-CG 4.14Å; V88-M245 HydrophobicContact CG1-SD 3.62Å
89I97.4Very high95.7Very high75 Ų7552.6 Ų52.639%0.38529%0.285SS..EExtended strand (participates in β ladder)trans-60.6127.2173.4-60.5174000109.3T91 N92 C240 D241 Q242I89-T91 WeakPolarHBondContact CG2-OG1 3.03Å; I89-T91 PolarHBondContact O-N 2.85Å; I89-T91 VanDerWaalsContact O-N 3.15Å; I89-N92 VanDerWaalsContact O-CB 3.29Å; I89-N92 WeakPolarHBondContact O-CB 3.47Å; I89-N92 PolarHBondContact O-N 3.1Å; I89-C240 HydrophobicContact CG2-CB 4.41Å; I89-D241 CarbonylContact C-O 3.54Å; I89-D241 WeakPolarHBondContact CA-O 3.13Å; I89-Q242 HydrophobicContact CG1-CG 4.24Å
90Q98Very high95.7Very high44 Ų4454.6 Ų54.621%0.20629%0.292CS..THydrogen-bonded Turntrans-59.5-33-172.9-62.4-1649.100113V88 N92 E109 D241 Q242 F243V88-Q90 PolarHBondContact O-N 3.45Å; Q90-N92 PolarHBondContact O-N 2.86Å; Q90-E109 PolarHBondContact NE2-OE2 2.84Å; Q90-E109 VanDerWaalsContact NE2-OE2 3.11Å; Q90-D241 HydrophobicContact CB-CB 4.24Å; Q90-D241 VanDerWaalsContact CD-CB 3.49Å; Q90-D241 HydrophobicContact CG-CB 3.69Å; Q90-D241 PolarHBondContact N-O 3.32Å; Q90-Q242 PolarHBondContact NE2-O 3.06Å; Q90-F243 HydrophobicContact CB-CD2 4.28Å; Q90-F243 HydrophobicContact CB-CE2 3.81Å; Q90-F243 HydrophobicContact CB-CZ 4.02Å; Q90-F243 HydrophobicContact CG-CD1 3.9Å; Q90-F243 HydrophobicContact CG-CD2 3.8Å; Q90-F243 HydrophobicContact CG-CE1 3.71Å; Q90-F243 HydrophobicContact CG-CE2 3.6Å; Q90-F243 HydrophobicContact CG-CG 3.95Å; Q90-F243 HydrophobicContact CG-CZ 3.54Å; Q90-F243 VanDerWaalsContact NE2-CE1 3.25Å
91T97.2Very high95.6Very high119 Ų11957.4 Ų57.473%0.7330%0.298SS*.THydrogen-bonded Turntrans-71.8-13.2178.760.70000113.4I89 K93I89-T91 WeakPolarHBondContact CG2-OG1 3.03Å; I89-T91 PolarHBondContact O-N 2.85Å; I89-T91 VanDerWaalsContact O-N 3.15Å; T91-K93 PolarHBondContact O-N 2.87Å
92N95Very high95.2Very high76 Ų7658.2 Ų58.241%0.40630%0.303SS..  trans-8061.9174.6-166.8-7.2000111.6V88 I89 Q90 P94 A95 V96V88-N92 HydrophobicContact CG2-CB 4.34Å; I89-N92 VanDerWaalsContact O-CB 3.29Å; I89-N92 WeakPolarHBondContact O-CB 3.47Å; I89-N92 PolarHBondContact O-N 3.1Å; Q90-N92 PolarHBondContact O-N 2.86Å; N92-P94 VanDerWaalsContact C-N 3.28Å; N92-P94 VanDerWaalsContact O-N 3.15Å; N92-A95 HydrophobicContact CB-CB 4.22Å; N92-A95 VanDerWaalsContact CG-CB 3.41Å; N92-A95 WeakPolarHBondContact ND2-CB 3.38Å; N92-A95 PolarHBondContact O-N 2.82Å; N92-A95 WeakPolarHBondContact OD1-CB 3.34Å; N92-A95 PolarHBondContact OD1-N 3.26Å; N92-V96 WeakPolarHBondContact O-CG2 3.37Å; N92-V96 PolarHBondContact O-N 3.13Å
93K95.3Very high95.1Very high164 Ų16458.8 Ų58.871%0.71331%0.311SS*.Hα-helixtrans-49.1-40.2-178.6-59.3-176.3-179.9-178.10113.7T91 A97T91-K93 PolarHBondContact O-N 2.87Å; K93-A97 VanDerWaalsContact O-CB 3.31Å; K93-A97 WeakPolarHBondContact O-CB 3.36Å; K93-A97 PolarHBondContact O-N 3.2Å
94P91.8Very high95.2Very high91 Ų9157.4 Ų57.459%0.59131%0.306SS*.Hα-helixtrans-62.5-41.5176.3-24.636000114N92 T98N92-P94 VanDerWaalsContact C-N 3.28Å; N92-P94 VanDerWaalsContact O-N 3.15Å; P94-T98 PolarHBondContact O-N 3.28Å; P94-T98 VanDerWaalsContact O-N 3.08Å; P94-T98 PolarHBondContact O-OG1 3.02Å
95A91.7Very high95.2Very high13 Ų1364.2 Ų64.211%0.10734%0.338CS..Hα-helixtrans-68.3-48.417800000110.7V88 N92 A97 T98 Y99V88-A95 HydrophobicContact CG2-CB 3.92Å; N92-A95 HydrophobicContact CB-CB 4.22Å; N92-A95 VanDerWaalsContact CG-CB 3.41Å; N92-A95 WeakPolarHBondContact ND2-CB 3.38Å; N92-A95 PolarHBondContact O-N 2.82Å; N92-A95 WeakPolarHBondContact OD1-CB 3.34Å; N92-A95 PolarHBondContact OD1-N 3.26Å; A95-A97 VanDerWaalsContact C-N 3.3Å; A95-A97 PolarHBondContact O-N 3.21Å; A95-T98 CarbonylContact O-C 3.6Å; A95-T98 WeakPolarHBondContact O-CA 3.3Å; A95-T98 WeakPolarHBondContact O-CB 3.4Å; A95-T98 PolarHBondContact O-N 3.24Å; A95-Y99 HydrophobicContact CB-CD2 4.4Å; A95-Y99 HydrophobicContact CB-CE2 3.73Å; A95-Y99 VanDerWaalsContact O-CD2 3.27Å; A95-Y99 WeakPolarHBondContact O-CD2 3.25Å; A95-Y99 PolarHBondContact O-N 2.84Å
96V95.5Very high95.3Very high13 Ų1366.3 Ų66.38%0.07935%0.348CS..Hα-helixtrans-54.6-45.8176.6177.50000111.5V88 N92 T98 Y99 R100 F243V88-V96 HydrophobicContact CG1-CG2 3.88Å; V88-V96 HydrophobicContact CG2-CG2 3.94Å; N92-V96 WeakPolarHBondContact O-CG2 3.37Å; N92-V96 PolarHBondContact O-N 3.13Å; V96-T98 VanDerWaalsContact C-N 3.32Å; V96-T98 PolarHBondContact O-N 3.08Å; V96-Y99 PolarHBondContact O-N 2.98Å; V96-R100 PolarHBondContact O-N 3.11Å; V96-F243 HydrophobicContact CG1-CD2 4.39Å; V96-F243 HydrophobicContact CG1-CE2 4.4Å; V96-F243 HydrophobicContact CG2-CD2 4.05Å; V96-F243 HydrophobicContact CG2-CE2 4.32Å
97A94.1Very high95.3Very high62 Ų6270 Ų7051%0.51237%0.367SS..Hα-helixtrans-64-37.2177.200000112.5K93 A95 K101K93-A97 VanDerWaalsContact O-CB 3.31Å; K93-A97 WeakPolarHBondContact O-CB 3.36Å; K93-A97 PolarHBondContact O-N 3.2Å; A95-A97 VanDerWaalsContact C-N 3.3Å; A95-A97 PolarHBondContact O-N 3.21Å; A97-K101 WeakPolarHBondContact O-CB 3.26Å; A97-K101 PolarHBondContact O-N 3Å; A97-K101 VanDerWaalsContact O-N 3.14Å
98T91.7Very high95.3Very high51 Ų5170 Ų7031%0.31337%0.366SS..Hα-helixtrans-64.7-49.6175.5-58.10000110.4Y65 P94 A95 V96 R100 K101 M102Y65-T98 HydrophobicContact CD1-CG2 3.67Å; Y65-T98 HydrophobicContact CE1-CG2 4.05Å; P94-T98 PolarHBondContact O-N 3.28Å; P94-T98 VanDerWaalsContact O-N 3.08Å; P94-T98 PolarHBondContact O-OG1 3.02Å; A95-T98 CarbonylContact O-C 3.6Å; A95-T98 WeakPolarHBondContact O-CA 3.3Å; A95-T98 WeakPolarHBondContact O-CB 3.4Å; A95-T98 PolarHBondContact O-N 3.24Å; V96-T98 VanDerWaalsContact C-N 3.32Å; V96-T98 PolarHBondContact O-N 3.08Å; T98-R100 PolarHBondContact O-N 3.16Å; T98-K101 WeakPolarHBondContact O-CB 3.37Å; T98-K101 PolarHBondContact O-N 2.83Å; T98-K101 VanDerWaalsContact O-N 3.16Å; T98-M102 WeakPolarHBondContact O-CG 3.37Å; T98-M102 PolarHBondContact O-N 2.88Å; T98-M102 VanDerWaalsContact O-N 3.15Å
99Y94.5Very high95.4Very high28 Ų2873.7 Ų73.711%0.1138%0.383CS..Hα-helixtrans-62.8-44.1-178.2-55.7-28.4000112.2Y65 L86 V88 A95 V96 K101 M102 G103 L104 M245Y65-Y99 HydrophobicContact CD1-CE1 4.3Å; Y65-Y99 AromaticContact CE1-CD1 3.61Å; Y65-Y99 HydrophobicContact CE1-CD1 3.61Å; Y65-Y99 AromaticContact CE1-CE1 3.48Å; Y65-Y99 HydrophobicContact CE1-CE1 3.48Å; Y65-Y99 VanDerWaalsContact CE1-CE1 3.48Å; Y65-Y99 AromaticContact CE2-CE1 3.9Å; Y65-Y99 HydrophobicContact CE2-CE1 3.9Å; Y65-Y99 AromaticContact CZ-CD1 3.68Å; Y65-Y99 AromaticContact CZ-CE1 3.23Å; Y65-Y99 VanDerWaalsContact OH-CD1 3.28Å; Y65-Y99 WeakPolarHBondContact OH-CD1 3.44Å; Y65-Y99 WeakPolarHBondContact OH-CE1 3.41Å; L86-Y99 HydrophobicContact CD1-CD2 3.66Å; L86-Y99 HydrophobicContact CD1-CE2 3.76Å; L86-Y99 HydrophobicContact CD1-CG 4.37Å; L86-Y99 HydrophobicContact CD2-CD1 3.93Å; L86-Y99 HydrophobicContact CD2-CD2 3.88Å; L86-Y99 HydrophobicContact CD2-CE1 4.08Å; L86-Y99 HydrophobicContact CD2-CE2 3.99Å; L86-Y99 HydrophobicContact CD2-CG 3.83Å; L86-Y99 HydrophobicContact CG-CD2 4.46Å; V88-Y99 HydrophobicContact CB-CD2 4.08Å; V88-Y99 HydrophobicContact CB-CE2 3.73Å; V88-Y99 HydrophobicContact CG1-CD2 4.12Å; V88-Y99 HydrophobicContact CG1-CE2 4.3Å; V88-Y99 HydrophobicContact CG2-CD2 4.12Å; V88-Y99 HydrophobicContact CG2-CE2 3.61Å; A95-Y99 HydrophobicContact CB-CD2 4.4Å; A95-Y99 HydrophobicContact CB-CE2 3.73Å; A95-Y99 VanDerWaalsContact O-CD2 3.27Å; A95-Y99 WeakPolarHBondContact O-CD2 3.25Å; A95-Y99 PolarHBondContact O-N 2.84Å; V96-Y99 PolarHBondContact O-N 2.98Å; Y99-K101 VanDerWaalsContact C-N 3.31Å; Y99-K101 PolarHBondContact O-N 2.88Å; Y99-M102 WeakPolarHBondContact O-CA 3.37Å; Y99-M102 WeakPolarHBondContact O-CB 3.43Å; Y99-M102 PolarHBondContact O-N 3.11Å; Y99-G103 PolarHBondContact O-N 3.3Å; Y99-L104 WeakPolarHBondContact O-CD1 3.34Å; Y99-L104 PolarHBondContact O-N 2.55Å; Y99-L104 VanDerWaalsContact O-N 3.12Å; Y99-M245 HydrophobicContact CD2-SD 4.02Å; Y99-M245 HydrophobicContact CG-SD 4.46Å
100R95.9Very high95.4Very high151 Ų15170.2 Ų70.257%0.5737%0.365SS*.Hα-helixtrans-58.7-41.5173.2-77.1-172172.6173.9-3.9112.9V96 T98 M102 G103 L104 M245V96-R100 PolarHBondContact O-N 3.11Å; T98-R100 PolarHBondContact O-N 3.16Å; R100-M102 PolarHBondContact O-N 2.86Å; R100-G103 PolarHBondContact O-N 2.93Å; R100-G103 VanDerWaalsContact O-N 3.08Å; R100-L104 WeakPolarHBondContact CA-O 3.36Å; R100-M245 HydrophobicContact CG-CE 3.8Å
101K93.4Very high95.4Very high191 Ų19168.1 Ų68.183%0.8336%0.355SS*.Hα-helixtrans-63-27.3176.8-178.4178.1175.9-175.20112.2A97 T98 Y99 G103A97-K101 WeakPolarHBondContact O-CB 3.26Å; A97-K101 PolarHBondContact O-N 3Å; A97-K101 VanDerWaalsContact O-N 3.14Å; T98-K101 WeakPolarHBondContact O-CB 3.37Å; T98-K101 PolarHBondContact O-N 2.83Å; T98-K101 VanDerWaalsContact O-N 3.16Å; Y99-K101 VanDerWaalsContact C-N 3.31Å; Y99-K101 PolarHBondContact O-N 2.88Å; K101-G103 VanDerWaalsContact C-N 3.29Å
102M90.4Very high95.5Very high36 Ų3662.4 Ų62.418%0.17732%0.32CS..THydrogen-bonded Turntrans-83.7-3.1177.2-62.3-158.969.400113.7Y65 M69 T98 Y99 R100 L104Y65-M102 HydrophobicContact CD1-SD 3.84Å; Y65-M102 HydrophobicContact CE1-SD 3.47Å; Y65-M102 WeakPolarHBondContact CE1-SD 3.3Å; M69-M102 HydrophobicContact CB-CE 3.46Å; M69-M102 VanDerWaalsContact CB-CE 3.46Å; M69-M102 HydrophobicContact CB-SD 3.9Å; M69-M102 HydrophobicContact CG-CE 3.16Å; M69-M102 HydrophobicContact CG-SD 3.77Å; T98-M102 WeakPolarHBondContact O-CG 3.37Å; T98-M102 PolarHBondContact O-N 2.88Å; T98-M102 VanDerWaalsContact O-N 3.15Å; Y99-M102 WeakPolarHBondContact O-CA 3.37Å; Y99-M102 WeakPolarHBondContact O-CB 3.43Å; Y99-M102 PolarHBondContact O-N 3.11Å; R100-M102 PolarHBondContact O-N 2.86Å; M102-L104 HydrophobicContact CB-CD1 4.05Å
103G94.2Very high95.7Very high42 Ų4258.8 Ų58.843%0.43330%0.301SS..THydrogen-bonded Turntrans100.21.8179.200000114.4Y99 R100 K101 E105 M247Y99-G103 PolarHBondContact O-N 3.3Å; R100-G103 PolarHBondContact O-N 2.93Å; R100-G103 VanDerWaalsContact O-N 3.08Å; K101-G103 VanDerWaalsContact C-N 3.29Å; G103-E105 PolarHBondContact O-N 3.22Å; G103-M247 WeakPolarHBondContact O-CB 3.36Å
104L97.1Very high95.8Very high3 Ų356.5 Ų56.52%0.01629%0.288CS..PPolyproline II helixtrans-73.3128.3173.7-68.698.8000111.6Y84 L86 Y99 R100 M102 M245 K246 M247Y84-L104 HydrophobicContact CD1-CD2 4.29Å; L86-L104 HydrophobicContact CD2-CD2 3.49Å; L86-L104 VanDerWaalsContact CD2-CD2 3.49Å; L86-L104 HydrophobicContact CG-CD2 3.63Å; Y99-L104 WeakPolarHBondContact O-CD1 3.34Å; Y99-L104 PolarHBondContact O-N 2.55Å; Y99-L104 VanDerWaalsContact O-N 3.12Å; R100-L104 WeakPolarHBondContact CA-O 3.36Å; M102-L104 HydrophobicContact CB-CD1 4.05Å; L104-M245 HydrophobicContact CB-CB 4.02Å; L104-M245 HydrophobicContact CB-CE 3.85Å; L104-M245 HydrophobicContact CD2-CB 3.94Å; L104-M245 VanDerWaalsContact O-CE 3.24Å; L104-M245 WeakPolarHBondContact O-CE 3.44Å; L104-K246 WeakPolarHBondContact CA-O 3.44Å; L104-M247 HydrophobicContact CD1-CE 3.86Å; L104-M247 HydrophobicContact CD1-CG 4.4Å; L104-M247 HydrophobicContact CD1-SD 3.43Å; L104-M247 WeakPolarHBondContact CD1-SD 3.39Å; L104-M247 HydrophobicContact CG-CB 4.15Å; L104-M247 HydrophobicContact CG-CE 4.29Å; L104-M247 HydrophobicContact CG-CG 3.92Å; L104-M247 HydrophobicContact CG-SD 3.59Å; L104-M247 VanDerWaalsContact CG-SD 3.59Å
105E98.1Very high96.1Very high143 Ų14353 Ų5367%0.66827%0.269SS*.EExtended strand (participates in β ladder)trans-99.4146.2174.6-59.4-170.2163.900110.1G103 I107 M245 K246G103-E105 PolarHBondContact O-N 3.22Å; E105-I107 PolarHBondContact O-N 2.91Å; E105-M245 CarbonylContact O-C 3.54Å; E105-M245 WeakPolarHBondContact O-CA 3.37Å; E105-M245 WeakPolarHBondContact O-CB 3.44Å; E105-K246 PolarHBondContact N-O 2.65Å; E105-K246 PolarHBondContact O-N 2.97Å
106I98Very high96.4Very high46 Ų4654.8 Ų54.824%0.23628%0.276CS..EExtended strand (participates in β ladder)trans-76.7122.2172.8-60.7177.2000107.4F243 M245I106-F243 HydrophobicContact CD1-CB 4.44Å; I106-F243 HydrophobicContact CD1-CD1 3.8Å; I106-F243 HydrophobicContact CD1-CD2 3.73Å; I106-F243 HydrophobicContact CD1-CE1 3.89Å; I106-F243 HydrophobicContact CD1-CE2 3.82Å; I106-F243 HydrophobicContact CD1-CG 3.73Å; I106-F243 HydrophobicContact CD1-CZ 3.91Å; I106-F243 HydrophobicContact CG1-CB 4.29Å; I106-F243 HydrophobicContact CG1-CD1 4.35Å; I106-F243 HydrophobicContact CG1-CD2 4.4Å; I106-F243 HydrophobicContact CG1-CG 4.11Å; I106-F243 HydrophobicContact CG2-CB 4.11Å; I106-F243 HydrophobicContact CG2-CD1 3.57Å; I106-F243 HydrophobicContact CG2-CE1 4.24Å; I106-F243 HydrophobicContact CG2-CG 4.01Å; I106-M245 HydrophobicContact CG1-CE 4.01Å; I106-M245 HydrophobicContact CG1-CG 4.11Å; I106-M245 HydrophobicContact CG1-SD 4.34Å
107I97.4Very high96.5Very high81 Ų8155 Ų5542%0.41528%0.279SS..EExtended strand (participates in β ladder)trans-108.2-26.5-179.659.3165.2000112.8E105 E244 K246E105-I107 PolarHBondContact O-N 2.91Å; I107-E244 HydrophobicContact CD1-CG 4.01Å; I107-E244 HydrophobicContact CG1-CB 4.03Å; I107-E244 HydrophobicContact CG1-CG 4.02Å; I107-E244 WeakPolarHBondContact CG1-O 3.44Å; I107-E244 PolarHBondContact N-O 2.92Å; I107-K246 HydrophobicContact CD1-CB 3.8Å; I107-K246 HydrophobicContact CD1-CD 4.45Å; I107-K246 HydrophobicContact CG1-CB 4.3Å; I107-K246 HydrophobicContact CG2-CB 4.01Å
108K97.6Very high96.7Very high35 Ų3557.1 Ų57.115%0.15228%0.277CS..EExtended strand (participates in β ladder)trans-146.7155.4177.2-62.6179.5-178.3-176.90111.1Y110 D146 T147 F243 E244K108-Y110 HydrophobicContact CB-CE1 4.26Å; K108-Y110 HydrophobicContact CB-CE2 4.43Å; K108-Y110 HydrophobicContact CD-CE1 4.06Å; K108-Y110 WeakPolarHBondContact CD-OH 3.5Å; K108-Y110 PolarHBondContact NZ-OH 3.34Å; K108-D146 WeakPolarHBondContact CD-OD2 3.42Å; K108-D146 VanDerWaalsContact CE-OD2 3.22Å; K108-D146 WeakPolarHBondContact CE-OD2 3.38Å; K108-D146 VanDerWaalsContact NZ-CG 3.33Å; K108-D146 IonicContact NZ-OD1 2.83Å; K108-D146 PolarHBondContact NZ-OD1 2.85Å; K108-D146 IonicContact NZ-OD2 3.77Å; K108-D146 PolarHBondContact NZ-OD2 3.29Å; K108-T147 PolarHBondContact NZ-O 2.67Å; K108-F243 WeakPolarHBondContact O-CA 3.49Å; K108-E244 HydrophobicContact CB-CB 3.99Å; K108-E244 WeakPolarHBondContact CD-OE2 3.27Å; K108-E244 PolarHBondContact N-O 3.49Å; K108-E244 PolarHBondContact O-N 2.89Å
109E98.4Very high96.8Very high84 Ų8464.4 Ų64.439%0.39331%0.308SS..EExtended strand (participates in β ladder)trans-115.5135.9169.1-53.9-164.6-143.600108.7Q90 F222 F243Q90-E109 PolarHBondContact NE2-OE2 2.84Å; Q90-E109 VanDerWaalsContact NE2-OE2 3.11Å; E109-F222 HydrophobicContact CB-CB 4.12Å; E109-F222 HydrophobicContact CB-CD2 3.87Å; E109-F222 HydrophobicContact CB-CE2 4.46Å; E109-F222 HydrophobicContact CB-CG 4.01Å; E109-F222 WeakPolarHBondContact O-CD2 3.5Å; E109-F222 PolarHBondContact O-N 3.06Å; E109-F243 HydrophobicContact CG-CD1 3.86Å; E109-F243 HydrophobicContact CG-CE1 3.82Å
110Y98.5Very high96.9Very high1 Ų167.8 Ų67.80%0.00434%0.335CS..EExtended strand (participates in β ladder)trans-126.5130-172.5-74-42.8000111.7K108 N219 I220 N221 D241 Q242 E244K108-Y110 HydrophobicContact CB-CE1 4.26Å; K108-Y110 HydrophobicContact CB-CE2 4.43Å; K108-Y110 HydrophobicContact CD-CE1 4.06Å; K108-Y110 WeakPolarHBondContact CD-OH 3.5Å; K108-Y110 PolarHBondContact NZ-OH 3.34Å; Y110-N219 HydrophobicContact CD1-CB 4Å; Y110-N219 VanDerWaalsContact CD1-O 3.32Å; Y110-N219 WeakPolarHBondContact CD1-O 3.31Å; Y110-N219 HydrophobicContact CD2-CB 4Å; Y110-N219 VanDerWaalsContact CD2-ND2 3.33Å; Y110-N219 WeakPolarHBondContact CD2-ND2 3.3Å; Y110-N219 HydrophobicContact CE1-CB 4.09Å; Y110-N219 WeakPolarHBondContact CE1-O 3.15Å; Y110-N219 HydrophobicContact CE2-CB 4.04Å; Y110-N219 HydrophobicContact CG-CB 3.99Å; Y110-I220 CarbonylContact C-O 3.49Å; Y110-I220 VanDerWaalsContact CA-O 3.3Å; Y110-I220 WeakPolarHBondContact CA-O 3.17Å; Y110-N221 HydrophobicContact CD1-CB 4.31Å; Y110-N221 HydrophobicContact CE1-CB 4.08Å; Y110-D241 CarbonylContact O-C 3.55Å; Y110-D241 VanDerWaalsContact O-CA 3.27Å; Y110-D241 WeakPolarHBondContact O-CA 3.26Å; Y110-Q242 PolarHBondContact N-O 2.86Å; Y110-Q242 PolarHBondContact O-N 3.1Å; Y110-E244 HydrophobicContact CD2-CB 4.21Å; Y110-E244 HydrophobicContact CE2-CB 3.64Å; Y110-E244 HydrophobicContact CE2-CG 4.27Å; Y110-E244 WeakPolarHBondContact CE2-OE2 3.41Å; Y110-E244 PolarHBondContact OH-OE2 2.84Å
111A98.4Very high97Very high0 Ų062.7 Ų62.70%032%0.318CS..EExtended strand (participates in β ladder)trans-89.4137.4167.300000109.1F113 I220 F222 I228A111-F113 HydrophobicContact CB-CD2 4.38Å; A111-F113 HydrophobicContact CB-CE2 3.81Å; A111-I220 HydrophobicContact CB-CB 4.44Å; A111-I220 PolarHBondContact N-O 2.95Å; A111-I220 PolarHBondContact O-N 2.92Å; A111-F222 HydrophobicContact CB-CD2 4.17Å; A111-F222 HydrophobicContact CB-CE2 3.73Å; A111-F222 HydrophobicContact CB-CZ 4.4Å; A111-F222 VanDerWaalsContact N-CE2 3.32Å; A111-I228 HydrophobicContact CB-CD1 4.02Å; A111-I228 HydrophobicContact CB-CG1 4.25Å
112C98.4Very high97.2Very high0 Ų062.1 Ų62.10%032%0.316CS..EExtended strand (participates in β ladder)trans-116.3128.9178.2-58.20000110.5L217 H238 F239 C240 Q242C112-L217 CarbonylContact C-O 3.53Å; C112-L217 WeakPolarHBondContact CA-O 3.19Å; C112-H238 PolarHBondContact O-CD2 2.74Å; C112-F239 HydrophobicContact CB-CD1 4.11Å; C112-F239 HydrophobicContact CB-CE1 3.43Å; C112-F239 VanDerWaalsContact CB-CE1 3.43Å; C112-F239 HydrophobicContact CB-CE2 4.36Å; C112-F239 HydrophobicContact CB-CZ 3.57Å; C112-F239 WeakPolarHBondContact O-CD1 3.49Å; C112-F239 PolarHBondContact O-N 3.36Å; C112-C240 WeakPolarHBondContact CB-O 3.34Å; C112-C240 PolarHBondContact N-O 3.12Å; C112-Q242 PolarHBondContact SG-OE1 3.35Å
113F98.5Very high97.5Very high0 Ų061.5 Ų61.50%032%0.319CS..EExtended strand (participates in β ladder)trans-118.6148.8-177-76.3-95.7000111.7A111 L217 I220 I228 M231 E232 F236 D237 H238A111-F113 HydrophobicContact CB-CD2 4.38Å; A111-F113 HydrophobicContact CB-CE2 3.81Å; F113-L217 HydrophobicContact CB-CB 4.4Å; F113-L217 PolarHBondContact N-O 3.24Å; F113-L217 PolarHBondContact O-N 3.39Å; F113-L217 VanDerWaalsContact O-O 3.1Å; F113-I220 HydrophobicContact CD2-CD1 3.57Å; F113-I220 HydrophobicContact CE2-CD1 3.99Å; F113-I220 HydrophobicContact CG-CD1 4.43Å; F113-I228 HydrophobicContact CE2-CG1 4.44Å; F113-I228 HydrophobicContact CE2-CG2 4.25Å; F113-I228 HydrophobicContact CZ-CG2 3.95Å; F113-M231 HydrophobicContact CB-CE 3.86Å; F113-M231 HydrophobicContact CD1-CB 3.73Å; F113-M231 HydrophobicContact CD2-CB 4.41Å; F113-M231 HydrophobicContact CE1-CB 3.67Å; F113-M231 HydrophobicContact CE2-CB 4.35Å; F113-M231 HydrophobicContact CG-CB 4.09Å; F113-M231 HydrophobicContact CG-CE 4.26Å; F113-M231 HydrophobicContact CG-CG 4.5Å; F113-M231 HydrophobicContact CZ-CB 3.99Å; F113-E232 HydrophobicContact CE1-CG 3.92Å; F113-E232 HydrophobicContact CZ-CG 4.16Å; F113-F236 HydrophobicContact CB-CB 4.28Å; F113-F236 HydrophobicContact CD1-CB 3.8Å; F113-F236 HydrophobicContact CG-CB 4.48Å; F113-D237 CarbonylContact C-O 3.58Å; F113-D237 VanDerWaalsContact CA-O 3.25Å; F113-D237 WeakPolarHBondContact CA-O 3.44Å; F113-H238 HydrophobicContact CD1-CB 4.12Å; F113-H238 HydrophobicContact CE1-CB 3.62Å; F113-H238 HydrophobicContact CE2-CB 4.45Å; F113-H238 HydrophobicContact CZ-CB 3.81Å
114R97.9Very high97.7Very high116 Ų11660.6 Ų60.644%0.43831%0.305SS..EExtended strand (participates in β ladder)trans-145.6173.6173.671.2-179.7-165.7151.38.9112.5V215 R216 D237 F239R114-V215 CarbonylContact C-O 3.36Å; R114-V215 VanDerWaalsContact CA-O 3.22Å; R114-V215 WeakPolarHBondContact CA-O 3.28Å; R114-R216 HydrophobicContact CB-CG 4.16Å; R114-D237 HydrophobicContact CG-CB 4.3Å; R114-D237 PolarHBondContact N-O 3.46Å; R114-D237 IonicContact NE-OD2 3.61Å; R114-D237 PolarHBondContact O-N 3.01Å; R114-F239 HydrophobicContact CB-CD1 3.89Å; R114-F239 HydrophobicContact CB-CE1 4.11Å; R114-F239 HydrophobicContact CG-CB 4.21Å; R114-F239 HydrophobicContact CG-CD1 3.7Å; R114-F239 HydrophobicContact CG-CE1 4.38Å; R114-F239 HydrophobicContact CG-CG 4.14Å
115G97.8Very high97.7Very high18 Ų1869.8 Ų69.819%0.18635%0.348CS..EExtended strand (participates in β ladder)trans95.8-147178.900000113.1D214 V215 F236G115-D214 PolarHBondContact N-OD1 2.87Å; G115-D214 VanDerWaalsContact N-OD1 3.08Å; G115-V215 PolarHBondContact N-O 3.43Å; G115-V215 VanDerWaalsContact N-O 3.07Å; G115-V215 WeakPolarHBondContact O-CB 3.49Å; G115-V215 PolarHBondContact O-N 3.05Å; G115-F236 VanDerWaalsContact O-CE1 3.3Å; G115-F236 WeakPolarHBondContact O-CE1 3.47Å
116N98.1Very high97.6Very high50 Ų5068.6 Ų68.627%0.26735%0.346SS..  trans-141.3156.5-171.5-67.285.3000110.6S209 Y212 Q213N116-S209 WeakPolarHBondContact ND2-CA 3.31Å; N116-S209 PolarHBondContact ND2-O 3.08Å; N116-Y212 PolarHBondContact ND2-O 3.39Å; N116-Q213 VanDerWaalsContact OD1-C 3.24Å; N116-Q213 PolarHBondContact OD1-O 3.27Å
117A98.1Very high97.6Very high18 Ų1869 Ų6915%0.14935%0.346CS..  trans-60.6147.2170.300000112.1M121 V206 S209 L234 F236A117-M121 HydrophobicContact CB-CB 4.29Å; A117-V206 HydrophobicContact CB-CB 4.28Å; A117-V206 HydrophobicContact CB-CG1 4.23Å; A117-V206 HydrophobicContact CB-CG2 3.81Å; A117-S209 PolarHBondContact N-OG 3.22Å; A117-S209 VanDerWaalsContact N-OG 3.14Å; A117-L234 CarbonylContact C-O 3.55Å; A117-L234 VanDerWaalsContact CA-O 3.32Å; A117-L234 WeakPolarHBondContact CA-O 3.43Å; A117-F236 HydrophobicContact CB-CE2 4.24Å
118K97.7Very high97.6Very high105 Ų10569 Ų6946%0.45734%0.344SS..  trans-58.9145.9172.5-64.9160.3-172.7152.30109.8S120 M121 E233 L234K118-S120 PolarHBondContact O-N 3.15Å; K118-M121 HydrophobicContact CB-CG 4.16Å; K118-M121 WeakPolarHBondContact O-CB 3.43Å; K118-M121 PolarHBondContact O-N 3.15Å; K118-E233 PolarHBondContact NZ-O 3.38Å; K118-L234 WeakPolarHBondContact CG-O 3.39Å; K118-L234 PolarHBondContact N-O 3.15Å
119E95.2Very high97.7Very high205 Ų20569.9 Ų69.996%0.95835%0.349SS*.THydrogen-bonded Turntrans-56.3-24.5178.1-62.8-178.6176.900114.1M121E119-M121 VanDerWaalsContact C-N 3.32Å
120S96.5Very high97.6Very high99 Ų9967.4 Ų67.469%0.69234%0.338SS*.THydrogen-bonded Turntrans-77.9-14.7177.163.30000114K118K118-S120 PolarHBondContact O-N 3.15Å
121M97.3Very high97.6Very high43 Ų4368.6 Ų68.621%0.21235%0.346CS..  trans-77.7150.9177.3-57.1-52.8-98.500109.6A117 K118 E119 V206 E233 L234A117-M121 HydrophobicContact CB-CB 4.29Å; K118-M121 HydrophobicContact CB-CG 4.16Å; K118-M121 WeakPolarHBondContact O-CB 3.43Å; K118-M121 PolarHBondContact O-N 3.15Å; E119-M121 VanDerWaalsContact C-N 3.32Å; M121-V206 HydrophobicContact CB-CG1 4.48Å; M121-V206 HydrophobicContact CB-CG2 3.84Å; M121-E233 HydrophobicContact CE-CG 4.16Å; M121-L234 HydrophobicContact CB-CD2 4.33Å; M121-L234 HydrophobicContact CE-CD2 3.62Å; M121-L234 HydrophobicContact CE-CG 4.18Å; M121-L234 HydrophobicContact CG-CD2 4.15Å
122K97.4Very high97.6Very high179 Ų17968.7 Ų68.778%0.77835%0.347SS*.  trans-120.6134.4178.2-64.5-166.8176.3-169.70109.5
123G97.7Very high97.5Very high23 Ų2372.8 Ų72.824%0.23737%0.372CS..  trans-73.7-165.1165.200000111.1V206 N207G123-V206 VanDerWaalsContact N-CG1 3.33Å; G123-N207 VanDerWaalsContact CA-OD1 3.3Å; G123-N207 WeakPolarHBondContact CA-OD1 3.45Å
124T97.7Very high97.4Very high24 Ų2478.7 Ų78.715%0.14740%0.399CS..  trans-117.6150.8175.6-170.70000110.1N126 F127 T169 E203 L204 N207T124-N126 PolarHBondContact OG1-N 2.97Å; T124-N126 VanDerWaalsContact OG1-N 3.12Å; T124-F127 HydrophobicContact CG2-CB 4.07Å; T124-F127 HydrophobicContact CG2-CD1 4.19Å; T124-F127 WeakPolarHBondContact O-CD1 3.3Å; T124-F127 WeakPolarHBondContact O-CE1 3.19Å; T124-T169 HydrophobicContact CG2-CG2 4.17Å; T124-E203 WeakPolarHBondContact CB-OE2 3.44Å; T124-E203 HydrophobicContact CG2-CB 4.02Å; T124-L204 HydrophobicContact CG2-CD2 4.4Å; T124-N207 PolarHBondContact N-OD1 2.89Å; T124-N207 PolarHBondContact O-ND2 3.16Å; T124-N207 PolarHBondContact O-OD1 3.09Å
125E97.3Very high97.4Very high195 Ų19573.7 Ų73.791%0.91138%0.381SS*.SBendtrans-89.8-13.1165.8-64.3-175.6171.900111.1F127E125-F127 VanDerWaalsContact C-N 3.3Å; E125-F127 PolarHBondContact O-N 3.3Å
126N96.1Very high97.3Very high119 Ų11975.8 Ų75.864%0.63639%0.391SS*.SBendtrans-94.154.2-176.3-17236.8000111.7T124T124-N126 PolarHBondContact OG1-N 2.97Å; T124-N126 VanDerWaalsContact OG1-N 3.12Å
127F97.9Very high97.1Very high54 Ų5474.1 Ų74.124%0.23738%0.382CS..  trans-124.6156.7172.174.7-82.8000110.6T124 E125 E129 M167 H168 T169 L204 N207T124-F127 HydrophobicContact CG2-CB 4.07Å; T124-F127 HydrophobicContact CG2-CD1 4.19Å; T124-F127 WeakPolarHBondContact O-CD1 3.3Å; T124-F127 WeakPolarHBondContact O-CE1 3.19Å; E125-F127 VanDerWaalsContact C-N 3.3Å; E125-F127 PolarHBondContact O-N 3.3Å; F127-E129 HydrophobicContact CE2-CB 4.39Å; F127-M167 HydrophobicContact CB-CG 4.34Å; F127-M167 HydrophobicContact CD2-CG 3.35Å; F127-M167 HydrophobicContact CD2-SD 3.78Å; F127-M167 HydrophobicContact CE2-CE 4.32Å; F127-M167 HydrophobicContact CE2-CG 3.94Å; F127-M167 HydrophobicContact CE2-SD 4.02Å; F127-M167 HydrophobicContact CG-CG 4.09Å; F127-M167 HydrophobicContact CG-SD 4.25Å; F127-H168 CarbonylContact C-O 3.52Å; F127-H168 VanDerWaalsContact CA-O 3.28Å; F127-H168 WeakPolarHBondContact CA-O 3.45Å; F127-T169 HydrophobicContact CB-CG2 4.5Å; F127-L204 HydrophobicContact CB-CD2 3.67Å; F127-L204 HydrophobicContact CG-CD2 4.39Å; F127-N207 WeakPolarHBondContact CE1-ND2 3.34Å
128Q98.1Very high96.9Very high80 Ų8080.2 Ų80.237%0.37441%0.407SS..EExtended strand (participates in β ladder)trans-117.8157169.9-62.7-175.67500109M167 H168 G170Q128-M167 WeakPolarHBondContact O-CA 3.31Å; Q128-H168 PolarHBondContact N-O 3.28Å; Q128-H168 PolarHBondContact O-N 2.86Å; Q128-G170 PolarHBondContact NE2-O 3.31Å
129E97.9Very high96.7Very high55 Ų5577.5 Ų77.526%0.25740%0.402SS..EExtended strand (participates in β ladder)trans-142.2126-179.7-177.1178.6-174.800111.5F127 R165 I166 Y181 R211F127-E129 HydrophobicContact CE2-CB 4.39Å; E129-R165 HydrophobicContact CG-CB 4.49Å; E129-R165 WeakPolarHBondContact OE1-CD 3.47Å; E129-R165 IonicContact OE1-NE 3.79Å; E129-I166 VanDerWaalsContact CA-O 3.28Å; E129-I166 WeakPolarHBondContact CA-O 3.41Å; E129-Y181 PolarHBondContact OE1-OH 3.48Å; E129-R211 IonicContact OE1-NH1 2.87Å; E129-R211 PolarHBondContact OE1-NH1 2.98Å; E129-R211 IonicContact OE2-CZ 3.15Å; E129-R211 VanDerWaalsContact OE2-CZ 3.22Å; E129-R211 IonicContact OE2-NH1 2.73Å; E129-R211 PolarHBondContact OE2-NH1 3.37Å; E129-R211 IonicContact OE2-NH2 3.71Å; E129-R211 PolarHBondContact OE2-NH2 3.16Å
130L97.5Very high96.8Very high32 Ų3267.8 Ų67.817%0.16836%0.356CS..EExtended strand (participates in β ladder)trans-136.9156.5-173-61.1172000110E134 F135 R165 I166L130-E134 HydrophobicContact CB-CB 4.34Å; L130-F135 HydrophobicContact CD1-CD2 4.43Å; L130-R165 WeakPolarHBondContact O-CA 3.47Å; L130-I166 HydrophobicContact CB-CG2 4.13Å; L130-I166 PolarHBondContact N-O 3.14Å; L130-I166 PolarHBondContact O-N 2.98Å
131P98Very high96.7Very high25 Ų2569.1 Ų69.116%0.16235%0.352CS..EExtended strand (participates in β ladder)trans-56.6146.5159.6-17.232.2000109.5T133 E134P131-T133 PolarHBondContact O-N 3.36Å; P131-T133 VanDerWaalsContact O-N 3.1Å; P131-E134 HydrophobicContact CB-CG 4.43Å; P131-E134 HydrophobicContact CG-CG 4.24Å; P131-E134 PolarHBondContact O-N 2.98Å
132I97.7Very high96.6Very high3 Ų372.4 Ų72.42%0.01538%0.377CS..G310 helixtrans-63-21179.164.1160.7000112.9E134 F135 L137 L157 P161 Y164 I166 I180I132-E134 PolarHBondContact O-N 3.08Å; I132-F135 PolarHBondContact O-N 2.97Å; I132-L137 HydrophobicContact CB-CD1 4.36Å; I132-L137 HydrophobicContact CB-CD2 4.17Å; I132-L137 HydrophobicContact CD1-CD1 4.29Å; I132-L157 HydrophobicContact CD1-CB 4.25Å; I132-P161 HydrophobicContact CD1-CB 4.02Å; I132-P161 HydrophobicContact CG1-CB 4.05Å; I132-P161 WeakPolarHBondContact CG1-O 3.04Å; I132-Y164 HydrophobicContact CD1-CD2 3.93Å; I132-Y164 HydrophobicContact CD1-CG 4.25Å; I132-Y164 PolarHBondContact N-O 3.06Å; I132-I166 HydrophobicContact CG2-CB 4.29Å; I132-I180 HydrophobicContact CG2-CG1 4.5Å; I132-I180 HydrophobicContact CG2-CG2 3.81Å
133T97.3Very high96.6Very high86 Ų8664.4 Ų64.453%0.52834%0.342SS..G310 helixtrans-67.7-19.5174.9540000113.6P131 P161P131-T133 PolarHBondContact O-N 3.36Å; P131-T133 VanDerWaalsContact O-N 3.1Å; T133-P161 HydrophobicContact CG2-CB 3.57Å; T133-P161 HydrophobicContact CG2-CG 3.9Å
134E96.7Very high96.5Very high124 Ų12465.5 Ų65.558%0.57934%0.339SS*.G310 helixtrans-99.93-177.9-64.6179.7-160.400112.3L130 P131 I132L130-E134 HydrophobicContact CB-CB 4.34Å; P131-E134 HydrophobicContact CB-CG 4.43Å; P131-E134 HydrophobicContact CG-CG 4.24Å; P131-E134 PolarHBondContact O-N 2.98Å; I132-E134 PolarHBondContact O-N 3.08Å
135F96.9Very high96.5Very high10 Ų1068.9 Ų68.94%0.04435%0.353CS..SBendtrans-116.7138.9-179.6-164-78.7000111.3L130 I132 L137 L140 I166 H168 E172 C175L130-F135 HydrophobicContact CD1-CD2 4.43Å; I132-F135 PolarHBondContact O-N 2.97Å; F135-L137 VanDerWaalsContact C-N 3.32Å; F135-L137 HydrophobicContact CB-CD2 4.38Å; F135-L137 HydrophobicContact CD1-CD2 4.33Å; F135-L137 PolarHBondContact O-N 3.07Å; F135-L140 HydrophobicContact CD1-CD1 4.27Å; F135-L140 HydrophobicContact CD1-CD2 4.2Å; F135-L140 HydrophobicContact CD1-CG 4.25Å; F135-L140 HydrophobicContact CE1-CD1 4.22Å; F135-L140 HydrophobicContact CE1-CD2 3.34Å; F135-L140 HydrophobicContact CE1-CG 3.77Å; F135-L140 HydrophobicContact CZ-CD2 3.84Å; F135-I166 HydrophobicContact CB-CD1 4.48Å; F135-I166 HydrophobicContact CB-CG2 3.74Å; F135-I166 HydrophobicContact CD1-CD1 3.81Å; F135-I166 HydrophobicContact CD2-CD1 3.97Å; F135-I166 HydrophobicContact CD2-CG2 4.01Å; F135-I166 HydrophobicContact CE1-CD1 4.04Å; F135-I166 HydrophobicContact CE2-CD1 4.15Å; F135-I166 HydrophobicContact CG-CD1 3.8Å; F135-I166 HydrophobicContact CG-CG2 4Å; F135-I166 HydrophobicContact CZ-CD1 4.18Å; F135-H168 AromaticContact CD2-CD2 3.79Å; F135-H168 AromaticContact CD2-NE2 3.75Å; F135-H168 AromaticContact CE2-CD2 3.52Å; F135-H168 AromaticContact CE2-CE1 3.82Å; F135-H168 AromaticContact CE2-CG 3.79Å; F135-H168 AromaticContact CE2-ND1 3.97Å; F135-H168 AromaticContact CE2-NE2 3.55Å; F135-E172 HydrophobicContact CD2-CG 4.01Å; F135-E172 HydrophobicContact CE2-CB 4.2Å; F135-E172 HydrophobicContact CE2-CG 3.98Å; F135-C175 HydrophobicContact CZ-CB 4.13Å
136P96.1Very high96.4Very high63 Ų6362 Ų6241%0.40932%0.322SS..  trans-7280.9176.730.9-36.3000111.6E138 S139 E172P136-E138 PolarHBondContact O-N 3.41Å; P136-S139 WeakPolarHBondContact O-CB 3.48Å; P136-S139 PolarHBondContact O-N 3Å; P136-S139 PolarHBondContact O-OG 3.37Å; P136-E172 HydrophobicContact CG-CB 4.09Å
137L95.1Very high96.3Very high14 Ų1458.9 Ų58.97%0.07331%0.308CS..G310 helixtrans-55.5-30.1-170.9-60-178.9000115I132 F135 S139 L140 I154 I180I132-L137 HydrophobicContact CB-CD1 4.36Å; I132-L137 HydrophobicContact CB-CD2 4.17Å; I132-L137 HydrophobicContact CD1-CD1 4.29Å; F135-L137 VanDerWaalsContact C-N 3.32Å; F135-L137 HydrophobicContact CB-CD2 4.38Å; F135-L137 HydrophobicContact CD1-CD2 4.33Å; F135-L137 PolarHBondContact O-N 3.07Å; L137-S139 PolarHBondContact O-N 2.93Å; L137-L140 HydrophobicContact CD2-CD1 3.92Å; L137-L140 VanDerWaalsContact O-CB 3.25Å; L137-L140 WeakPolarHBondContact O-CB 3.33Å; L137-L140 WeakPolarHBondContact O-CG 3.27Å; L137-L140 PolarHBondContact O-N 2.85Å; L137-L140 VanDerWaalsContact O-N 3.13Å; L137-I154 HydrophobicContact CB-CD1 3.73Å; L137-I154 HydrophobicContact CB-CG1 4.27Å; L137-I154 HydrophobicContact CB-CG2 4.24Å; L137-I154 HydrophobicContact CD1-CG2 3.81Å; L137-I154 WeakPolarHBondContact O-CD1 3.45Å; L137-I180 HydrophobicContact CD2-CD1 4.1Å
138E92.7Very high96.1Very high146 Ų14657.6 Ų57.668%0.68231%0.305SS*.G310 helixtrans-60.7-30.7174.8-63.2-68.7-179.200112.4P136 L140 E141P136-E138 PolarHBondContact O-N 3.41Å; E138-L140 PolarHBondContact O-N 3.03Å; E138-L140 VanDerWaalsContact O-N 3.12Å; E138-E141 PolarHBondContact O-N 3.34Å
139S94.6Very high96Very high49 Ų4953.8 Ų53.834%0.34329%0.287SS..G310 helixtrans-70.7-7.7178.8810000113.3P136 L137P136-S139 WeakPolarHBondContact O-CB 3.48Å; P136-S139 PolarHBondContact O-N 3Å; P136-S139 PolarHBondContact O-OG 3.37Å; L137-S139 PolarHBondContact O-N 2.93Å
140L96Very high95.9Very high0 Ų051.5 Ų51.50%028%0.276CS..G310 helixtrans-84.7-21.2-179.8-59.1177.5000112.9F135 L137 E138 P142 L143 I166 F178 I180F135-L140 HydrophobicContact CD1-CD1 4.27Å; F135-L140 HydrophobicContact CD1-CD2 4.2Å; F135-L140 HydrophobicContact CD1-CG 4.25Å; F135-L140 HydrophobicContact CE1-CD1 4.22Å; F135-L140 HydrophobicContact CE1-CD2 3.34Å; F135-L140 HydrophobicContact CE1-CG 3.77Å; F135-L140 HydrophobicContact CZ-CD2 3.84Å; L137-L140 HydrophobicContact CD2-CD1 3.92Å; L137-L140 VanDerWaalsContact O-CB 3.25Å; L137-L140 WeakPolarHBondContact O-CB 3.33Å; L137-L140 WeakPolarHBondContact O-CG 3.27Å; L137-L140 PolarHBondContact O-N 2.85Å; L137-L140 VanDerWaalsContact O-N 3.13Å; E138-L140 PolarHBondContact O-N 3.03Å; E138-L140 VanDerWaalsContact O-N 3.12Å; L140-P142 VanDerWaalsContact C-CD 3.47Å; L140-L143 HydrophobicContact CD2-CD1 4.2Å; L140-L143 WeakPolarHBondContact O-CB 3.43Å; L140-L143 PolarHBondContact O-N 2.69Å; L140-I166 HydrophobicContact CD1-CD1 3.72Å; L140-I166 HydrophobicContact CD2-CD1 4.14Å; L140-F178 HydrophobicContact CB-CD1 4.49Å; L140-F178 HydrophobicContact CB-CE1 3.87Å; L140-F178 HydrophobicContact CB-CE2 4.45Å; L140-F178 HydrophobicContact CB-CZ 3.86Å; L140-F178 HydrophobicContact CD1-CD2 4.03Å; L140-F178 HydrophobicContact CD1-CE2 3.88Å; L140-F178 HydrophobicContact CD1-CG 4.44Å; L140-F178 HydrophobicContact CD1-CZ 4.14Å; L140-F178 HydrophobicContact CD2-CB 4.36Å; L140-F178 HydrophobicContact CD2-CD1 3.65Å; L140-F178 HydrophobicContact CD2-CD2 4.26Å; L140-F178 HydrophobicContact CD2-CE1 3.91Å; L140-F178 HydrophobicContact CD2-CG 3.82Å; L140-F178 HydrophobicContact CD2-CZ 4.35Å; L140-F178 HydrophobicContact CG-CD1 4.5Å; L140-F178 HydrophobicContact CG-CE1 4.32Å; L140-F178 HydrophobicContact CG-CZ 4.35Å; L140-I180 HydrophobicContact CD1-CD1 3.92Å
141E94.8Very high95.7Very high127 Ų12750.8 Ų50.859%0.59327%0.272SS*.G310 helixtrans-52.3-46.5-176.6-172.2-172.6-169.100113E138 L143 R144E138-E141 PolarHBondContact O-N 3.34Å; E141-L143 PolarHBondContact O-N 2.66Å; E141-L143 VanDerWaalsContact O-N 3.08Å; E141-R144 PolarHBondContact O-N 3.2Å; E141-R144 VanDerWaalsContact O-N 3.15Å
142P95.4Very high95.6Very high113 Ų11349.9 Ų49.973%0.73427%0.266SS*.G310 helixtrans-68.4-11.2-179.1-19.134000114.7L140L140-P142 VanDerWaalsContact C-CD 3.47Å
143L96.9Very high95.5Very high11 Ų1150.2 Ų50.26%0.05827%0.267CS..G310 helixtrans-93.8-13.9179.7-62.4169.6000112.1L140 E141 C175 F178 G192 R193 R194L140-L143 HydrophobicContact CD2-CD1 4.2Å; L140-L143 WeakPolarHBondContact O-CB 3.43Å; L140-L143 PolarHBondContact O-N 2.69Å; E141-L143 PolarHBondContact O-N 2.66Å; E141-L143 VanDerWaalsContact O-N 3.08Å; L143-C175 HydrophobicContact CD1-CB 3.78Å; L143-F178 HydrophobicContact CB-CD1 4.24Å; L143-F178 HydrophobicContact CB-CE1 3.85Å; L143-F178 HydrophobicContact CD1-CD1 4.01Å; L143-F178 HydrophobicContact CD1-CE1 4.29Å; L143-G192 CarbonylContact O-C 3.46Å; L143-G192 WeakPolarHBondContact O-CA 3.41Å; L143-R193 PolarHBondContact O-N 3.24Å; L143-R193 VanDerWaalsContact O-O 3.11Å; L143-R194 HydrophobicContact CD2-CB 4.22Å; L143-R194 HydrophobicContact CD2-CG 3.27Å
144R96.6Very high95.4Very high45 Ų4546.9 Ų46.917%0.1725%0.246CC..  trans-78.8137.9-179.6-62-177.7-172.81189.6109.7E141 D146 F178E141-R144 PolarHBondContact O-N 3.2Å; E141-R144 VanDerWaalsContact O-N 3.15Å; R144-D146 WeakPolarHBondContact CB-O 3.44Å; R144-F178 HydrophobicContact CG-CZ 4.11Å
145H96.7Very high95.2Very high95 Ų9543.7 Ų43.744%0.4423%0.231SC..SBendtrans-71-35.1172.2-178.493.7000111.8T223 D224H145-T223 PolarHBondContact NE2-OG1 3.11Å; H145-T223 VanDerWaalsContact NE2-OG1 3.08Å; H145-D224 HydrophobicContact CB-CB 4.31Å; H145-D224 IonicContact CG-OD2 3.58Å; H145-D224 IonicContact ND1-OD1 2.91Å; H145-D224 IonicContact ND1-OD2 3.59Å; H145-D224 PolarHBondContact NE2-N 3.28Å
146D94.8Very high95.2Very high50 Ų5043.4 Ų43.427%0.26723%0.23SC..SBendtrans-145.2162.4-179.4-179.534.6000110.4K108 R144 N221K108-D146 WeakPolarHBondContact CD-OD2 3.42Å; K108-D146 VanDerWaalsContact CE-OD2 3.22Å; K108-D146 WeakPolarHBondContact CE-OD2 3.38Å; K108-D146 VanDerWaalsContact NZ-CG 3.33Å; K108-D146 IonicContact NZ-OD1 2.83Å; K108-D146 PolarHBondContact NZ-OD1 2.85Å; K108-D146 IonicContact NZ-OD2 3.77Å; K108-D146 PolarHBondContact NZ-OD2 3.29Å; R144-D146 WeakPolarHBondContact CB-O 3.44Å; D146-N221 HydrophobicContact CB-CB 4.08Å; D146-N221 VanDerWaalsContact CG-ND2 3.33Å; D146-N221 PolarHBondContact OD2-ND2 2.86Å
147T94Very high95.1Very high55 Ų5540.4 Ų40.434%0.33721%0.21SC..PPolyproline II helixtrans-60.5129.8169.8-56.10000109.7Y42 K108Y42-T147 HydrophobicContact CE2-CG2 4.1Å; Y42-T147 WeakPolarHBondContact OH-CG2 3.29Å; K108-T147 PolarHBondContact NZ-O 2.67Å
148P95.5Very high95.1Very high26 Ų2645 Ų4517%0.16923%0.232CC..PPolyproline II helixtrans-58.3150.1176.4-22.533.1000112.5N152 R153 Q190P148-N152 HydrophobicContact CB-CB 3.96Å; P148-R153 HydrophobicContact CB-CG 4.15Å; P148-R153 WeakPolarHBondContact O-CG 3.36Å; P148-Q190 HydrophobicContact CB-CG 4.4Å; P148-Q190 HydrophobicContact CG-CG 4.18Å
149S95Very high95.1Very high1 Ų141.3 Ų41.31%0.00722%0.217CC..PPolyproline II helixtrans-62161170.471.60000111.6E87 E151 N152 R153 N219E87-S149 WeakPolarHBondContact OE1-CB 3.44Å; E87-S149 PolarHBondContact OE1-OG 3Å; S149-E151 PolarHBondContact O-N 2.77Å; S149-E151 VanDerWaalsContact O-N 3.16Å; S149-N152 WeakPolarHBondContact O-CA 3.31Å; S149-N152 WeakPolarHBondContact O-CB 3.47Å; S149-N152 PolarHBondContact O-N 3.47Å; S149-N152 PolarHBondContact OG-ND2 3.31Å; S149-R153 WeakPolarHBondContact O-CG 3.43Å; S149-R153 PolarHBondContact O-N 2.88Å; S149-N219 VanDerWaalsContact OG-CG 3.28Å; S149-N219 PolarHBondContact OG-OD1 3Å
150F95.6Very high95.1Very high6 Ų641.4 Ų41.43%0.02621%0.211CC..G310 helixtrans-43.7-56.4-170.9176.3-83.1000113.5A38 V47 F49 N152 R153 I156A38-F150 HydrophobicContact CB-CD1 4.43Å; A38-F150 HydrophobicContact CB-CE1 3.49Å; A38-F150 VanDerWaalsContact CB-CE1 3.49Å; A38-F150 HydrophobicContact CB-CZ 3.87Å; V47-F150 HydrophobicContact CB-CE2 4.38Å; V47-F150 HydrophobicContact CG1-CD2 4Å; V47-F150 HydrophobicContact CG1-CE2 4.07Å; F49-F150 HydrophobicContact CB-CB 4.14Å; F49-F150 HydrophobicContact CB-CD1 3.56Å; F49-F150 HydrophobicContact CB-CD2 3.52Å; F49-F150 HydrophobicContact CB-CE1 3.84Å; F49-F150 HydrophobicContact CB-CE2 3.74Å; F49-F150 HydrophobicContact CB-CG 3.44Å; F49-F150 VanDerWaalsContact CB-CG 3.44Å; F49-F150 HydrophobicContact CB-CZ 3.92Å; F49-F150 HydrophobicContact CD1-CB 4.13Å; F49-F150 AromaticContact CD1-CD1 3.74Å; F49-F150 HydrophobicContact CD1-CD1 3.74Å; F49-F150 HydrophobicContact CD1-CE1 4.48Å; F49-F150 HydrophobicContact CD1-CG 4.02Å; F49-F150 HydrophobicContact CD2-CB 3.34Å; F49-F150 HydrophobicContact CD2-CD1 4.26Å; F49-F150 HydrophobicContact CD2-CD2 4.18Å; F49-F150 AromaticContact CD2-CG 3.68Å; F49-F150 HydrophobicContact CD2-CG 3.68Å; F49-F150 HydrophobicContact CE1-CB 4.36Å; F49-F150 HydrophobicContact CE1-CD1 4.47Å; F49-F150 HydrophobicContact CE2-CB 3.62Å; F49-F150 HydrophobicContact CE2-CG 4.4Å; F49-F150 HydrophobicContact CG-CB 3.61Å; F49-F150 AromaticContact CG-CD1 3.6Å; F49-F150 HydrophobicContact CG-CD1 3.6Å; F49-F150 AromaticContact CG-CD2 4Å; F49-F150 HydrophobicContact CG-CD2 4Å; F49-F150 HydrophobicContact CG-CE1 4.34Å; F49-F150 AromaticContact CG-CG 3.45Å; F49-F150 HydrophobicContact CG-CG 3.45Å; F49-F150 VanDerWaalsContact CG-CG 3.45Å; F49-F150 HydrophobicContact CZ-CB 4.11Å; F150-N152 PolarHBondContact O-N 2.48Å; F150-N152 VanDerWaalsContact O-N 3.11Å; F150-R153 PolarHBondContact O-N 2.98Å; F150-R153 PolarHBondContact O-NE 2.53Å; F150-I156 HydrophobicContact CD1-CG1 4.48Å; F150-I156 HydrophobicContact CE1-CD1 3.87Å; F150-I156 HydrophobicContact CE1-CG1 4.07Å; F150-I156 HydrophobicContact CE2-CD1 4.4Å; F150-I156 HydrophobicContact CZ-CD1 3.69Å; F150-I156 HydrophobicContact CZ-CG1 4.28Å; F150-I156 VanDerWaalsContact O-CG1 3.25Å; F150-I156 WeakPolarHBondContact O-CG1 3.5Å
151E94.1Very high95.2Very high17 Ų1743 Ų438%0.07922%0.221CC..G310 helixtrans-67.5-10.8-174.8-59.9179.4136.700113.7R11 E15 F49 S149 K189R11-E151 IonicContact NH2-OE1 3.97Å; E15-E151 HydrophobicContact CG-CG 4.36Å; F49-E151 HydrophobicContact CD1-CG 4.4Å; F49-E151 HydrophobicContact CE1-CG 4.01Å; S149-E151 PolarHBondContact O-N 2.77Å; S149-E151 VanDerWaalsContact O-N 3.16Å; E151-K189 WeakPolarHBondContact O-CE 3.49Å; E151-K189 PolarHBondContact O-NZ 3.18Å; E151-K189 VanDerWaalsContact O-NZ 3.11Å
152N95.6Very high95.2Very high6 Ų642.6 Ų42.63%0.03222%0.223CC..G310 helixtrans-109.6-4.2-173.3-73.1-25.1000112.3P148 S149 F150 K189 Q190 N219P148-N152 HydrophobicContact CB-CB 3.96Å; S149-N152 WeakPolarHBondContact O-CA 3.31Å; S149-N152 WeakPolarHBondContact O-CB 3.47Å; S149-N152 PolarHBondContact O-N 3.47Å; S149-N152 PolarHBondContact OG-ND2 3.31Å; F150-N152 PolarHBondContact O-N 2.48Å; F150-N152 VanDerWaalsContact O-N 3.11Å; N152-K189 WeakPolarHBondContact CB-O 3.22Å; N152-K189 WeakPolarHBondContact OD1-CD 3.46Å; N152-K189 WeakPolarHBondContact OD1-CE 3.11Å; N152-K189 PolarHBondContact OD1-NZ 2.85Å; N152-K189 PolarHBondContact OD1-O 2.82Å; N152-Q190 VanDerWaalsContact O-CD 3.32Å; N152-Q190 WeakPolarHBondContact O-CG 3.24Å; N152-Q190 PolarHBondContact O-NE2 2.74Å; N152-N219 PolarHBondContact ND2-OD1 2.86Å; N152-N219 VanDerWaalsContact ND2-OD1 3.12Å
153R95.3Very high95.3Very high11 Ų1138 Ų384%0.04219%0.192CC..SBendtrans-74.8152.6-178.9-55.9178.2-69.7151.84112.1Y42 P148 S149 F150 E155 I156 L157Y42-R153 VanDerWaalsContact CG-NH1 3.32Å; P148-R153 HydrophobicContact CB-CG 4.15Å; P148-R153 WeakPolarHBondContact O-CG 3.36Å; S149-R153 WeakPolarHBondContact O-CG 3.43Å; S149-R153 PolarHBondContact O-N 2.88Å; F150-R153 PolarHBondContact O-N 2.98Å; F150-R153 PolarHBondContact O-NE 2.53Å; R153-E155 VanDerWaalsContact C-N 3.28Å; R153-E155 VanDerWaalsContact CB-CD 3.41Å; R153-E155 HydrophobicContact CB-CG 4.44Å; R153-E155 WeakPolarHBondContact CB-OE1 3.4Å; R153-E155 WeakPolarHBondContact CB-OE2 3.37Å; R153-E155 VanDerWaalsContact CD-OE1 3.3Å; R153-E155 WeakPolarHBondContact CD-OE1 3.3Å; R153-E155 IonicContact CZ-OE1 3.32Å; R153-E155 IonicContact NE-OE1 3.46Å; R153-E155 PolarHBondContact NE-OE1 3.49Å; R153-E155 IonicContact NH1-OE1 3.66Å; R153-E155 PolarHBondContact NH1-OE1 3.26Å; R153-E155 IonicContact NH2-OE1 3.71Å; R153-E155 PolarHBondContact O-N 3.12Å; R153-I156 PolarHBondContact O-N 2.86Å; R153-L157 WeakPolarHBondContact O-CG 3.08Å; R153-L157 PolarHBondContact O-N 3.12Å; R153-L157 VanDerWaalsContact O-N 3.08Å
154I94.5Very high95.4Very high15 Ų1537.7 Ų37.78%0.07719%0.191CC..Hα-helixtrans-57-43.7-172.7-70.6168.7000111.1L137 I156 L157 Q158L137-I154 HydrophobicContact CB-CD1 3.73Å; L137-I154 HydrophobicContact CB-CG1 4.27Å; L137-I154 HydrophobicContact CB-CG2 4.24Å; L137-I154 HydrophobicContact CD1-CG2 3.81Å; L137-I154 WeakPolarHBondContact O-CD1 3.45Å; I154-I156 PolarHBondContact O-N 2.83Å; I154-L157 PolarHBondContact O-N 3.22Å; I154-L157 VanDerWaalsContact O-N 3.13Å; I154-Q158 HydrophobicContact CG2-CG 3.86Å; I154-Q158 WeakPolarHBondContact O-CB 3.17Å; I154-Q158 VanDerWaalsContact O-CG 3.3Å; I154-Q158 WeakPolarHBondContact O-CG 3.39Å; I154-Q158 PolarHBondContact O-N 3.02Å
155E93.5Very high95.4Very high58 Ų5839.5 Ų39.527%0.27120%0.197SC..Hα-helixtrans-60.3-27.5179.966.3-87.1-152.400112.9E41 R153 N159E41-E155 VanDerWaalsContact O-OE1 3.14Å; R153-E155 VanDerWaalsContact C-N 3.28Å; R153-E155 VanDerWaalsContact CB-CD 3.41Å; R153-E155 HydrophobicContact CB-CG 4.44Å; R153-E155 WeakPolarHBondContact CB-OE1 3.4Å; R153-E155 WeakPolarHBondContact CB-OE2 3.37Å; R153-E155 VanDerWaalsContact CD-OE1 3.3Å; R153-E155 WeakPolarHBondContact CD-OE1 3.3Å; R153-E155 IonicContact CZ-OE1 3.32Å; R153-E155 IonicContact NE-OE1 3.46Å; R153-E155 PolarHBondContact NE-OE1 3.49Å; R153-E155 IonicContact NH1-OE1 3.66Å; R153-E155 PolarHBondContact NH1-OE1 3.26Å; R153-E155 IonicContact NH2-OE1 3.71Å; R153-E155 PolarHBondContact O-N 3.12Å; E155-N159 PolarHBondContact O-ND2 3.43Å
156I95.6Very high95.5Very high3 Ų335 Ų352%0.01518%0.176CC..Hα-helixtrans-80.7-47.7173.9-57.6-52.8000110F150 R153 I154 Q158 N159F150-I156 HydrophobicContact CD1-CG1 4.48Å; F150-I156 HydrophobicContact CE1-CD1 3.87Å; F150-I156 HydrophobicContact CE1-CG1 4.07Å; F150-I156 HydrophobicContact CE2-CD1 4.4Å; F150-I156 HydrophobicContact CZ-CD1 3.69Å; F150-I156 HydrophobicContact CZ-CG1 4.28Å; F150-I156 VanDerWaalsContact O-CG1 3.25Å; F150-I156 WeakPolarHBondContact O-CG1 3.5Å; R153-I156 PolarHBondContact O-N 2.86Å; I154-I156 PolarHBondContact O-N 2.83Å; I156-Q158 PolarHBondContact O-N 2.81Å; I156-N159 WeakPolarHBondContact O-CB 3.43Å; I156-N159 PolarHBondContact O-N 3.18Å; I156-N159 VanDerWaalsContact O-N 3.1Å; I156-N159 PolarHBondContact O-ND2 2.9Å; I156-N159 VanDerWaalsContact O-ND2 3.16Å
157L96Very high95.7Very high0 Ų032.6 Ų32.60%016%0.164CC..Hα-helixtrans-60.6-32.3179.4-54.3-173.9000112.3I132 R153 I154 N159 F160 Y164 I180 K189 Q190I132-L157 HydrophobicContact CD1-CB 4.25Å; R153-L157 WeakPolarHBondContact O-CG 3.08Å; R153-L157 PolarHBondContact O-N 3.12Å; R153-L157 VanDerWaalsContact O-N 3.08Å; I154-L157 PolarHBondContact O-N 3.22Å; I154-L157 VanDerWaalsContact O-N 3.13Å; L157-N159 PolarHBondContact O-N 2.84Å; L157-F160 CarbonylContact O-C 3.6Å; L157-F160 PolarHBondContact O-N 2.94Å; L157-Y164 HydrophobicContact CB-CD2 4.06Å; L157-Y164 HydrophobicContact CB-CE2 3.91Å; L157-Y164 HydrophobicContact CD2-CD1 4.28Å; L157-Y164 HydrophobicContact CD2-CE1 3.68Å; L157-Y164 HydrophobicContact CD2-CE2 3.99Å; L157-Y164 WeakPolarHBondContact O-CE2 3.36Å; L157-I180 HydrophobicContact CD1-CG2 3.94Å; L157-K189 HydrophobicContact CD1-CB 4.21Å; L157-K189 HydrophobicContact CD2-CB 4.11Å; L157-K189 HydrophobicContact CD2-CG 4.23Å; L157-Q190 HydrophobicContact CD1-CG 4.39Å
158Q93.8Very high95.9Very high112 Ų11230 Ų3052%0.52315%0.148SC..THydrogen-bonded Turntrans-67.4-12.5178.4-80.8-179.7-27.400114.4I154 I156 F160 P161I154-Q158 HydrophobicContact CG2-CG 3.86Å; I154-Q158 WeakPolarHBondContact O-CB 3.17Å; I154-Q158 VanDerWaalsContact O-CG 3.3Å; I154-Q158 WeakPolarHBondContact O-CG 3.39Å; I154-Q158 PolarHBondContact O-N 3.02Å; I156-Q158 PolarHBondContact O-N 2.81Å; Q158-F160 VanDerWaalsContact C-N 3.27Å; Q158-F160 PolarHBondContact O-N 3.01Å; Q158-P161 WeakPolarHBondContact O-CD 3.14Å
159N93.3Very high96.1Very high68 Ų6828.8 Ų28.836%0.36414%0.14SC..THydrogen-bonded Turntrans-68.4-30.9172.8-66.6-46.3000111.9E155 I156 L157E155-N159 PolarHBondContact O-ND2 3.43Å; I156-N159 WeakPolarHBondContact O-CB 3.43Å; I156-N159 PolarHBondContact O-N 3.18Å; I156-N159 VanDerWaalsContact O-N 3.1Å; I156-N159 PolarHBondContact O-ND2 2.9Å; I156-N159 VanDerWaalsContact O-ND2 3.16Å; L157-N159 PolarHBondContact O-N 2.84Å
160F95.4Very high96.1Very high50 Ų5029.9 Ų29.922%0.21915%0.151CC..SBendtrans-137.964.1-179-71.8-99.9000110.2K13 L157 Q158 D162 D163 Y164K13-F160 HydrophobicContact CB-CE2 4.43Å; K13-F160 HydrophobicContact CB-CZ 4.11Å; K13-F160 HydrophobicContact CD-CE1 4.24Å; K13-F160 HydrophobicContact CD-CZ 3.61Å; K13-F160 HydrophobicContact CG-CE2 4.05Å; K13-F160 HydrophobicContact CG-CZ 3.57Å; K13-F160 VanDerWaalsContact O-CE2 3.29Å; K13-F160 WeakPolarHBondContact O-CE2 3.33Å; L157-F160 CarbonylContact O-C 3.6Å; L157-F160 PolarHBondContact O-N 2.94Å; Q158-F160 VanDerWaalsContact C-N 3.27Å; Q158-F160 PolarHBondContact O-N 3.01Å; F160-D162 PolarHBondContact O-N 3.38Å; F160-D162 VanDerWaalsContact O-N 3.17Å; F160-D163 VanDerWaalsContact CB-OD2 3.28Å; F160-D163 WeakPolarHBondContact CB-OD2 3.47Å; F160-D163 WeakPolarHBondContact O-CB 3.21Å; F160-D163 PolarHBondContact O-N 2.9Å; F160-D163 VanDerWaalsContact O-N 3.08Å; F160-Y164 WeakPolarHBondContact O-CD2 3.43Å; F160-Y164 WeakPolarHBondContact O-CE2 3.26Å
161P96.3Very high95.9Very high35 Ų3532.6 Ų32.623%0.22717%0.166CC..G310 helixtrans-69.4-22.8-167.732.1-36.9000112.5I132 T133 Q158 D163 Y164I132-P161 HydrophobicContact CD1-CB 4.02Å; I132-P161 HydrophobicContact CG1-CB 4.05Å; I132-P161 WeakPolarHBondContact CG1-O 3.04Å; T133-P161 HydrophobicContact CG2-CB 3.57Å; T133-P161 HydrophobicContact CG2-CG 3.9Å; Q158-P161 WeakPolarHBondContact O-CD 3.14Å; P161-D163 PolarHBondContact O-N 3.45Å; P161-Y164 PolarHBondContact O-N 3.47Å
162D96.4Very high95.6Very high117 Ų11735 Ų3563%0.62618%0.177SC*.G310 helixtrans-65-18175.9-68.2-24.1000113F160 Y164 K183F160-D162 PolarHBondContact O-N 3.38Å; F160-D162 VanDerWaalsContact O-N 3.17Å; D162-Y164 VanDerWaalsContact C-N 3.29Å; D162-K183 WeakPolarHBondContact O-CD 3.25Å; D162-K183 VanDerWaalsContact O-CE 3.3Å; D162-K183 WeakPolarHBondContact O-CE 3.35Å; D162-K183 PolarHBondContact O-NZ 3.37Å
163D96.7Very high95.2Very high17 Ų1743.7 Ų43.79%0.09122%0.215CC..G310 helixtrans-77.5-17.6179.8-66.7-14.5000113.1H10 F160 P161 Q182 K183H10-D163 IonicContact CE1-OD1 3.24Å; H10-D163 IonicContact CE1-OD2 2.74Å; H10-D163 PolarHBondContact CE1-OD2 3.42Å; H10-D163 IonicContact NE2-OD1 3.62Å; H10-D163 IonicContact NE2-OD2 3.54Å; H10-D163 PolarHBondContact NE2-OD2 3.25Å; F160-D163 VanDerWaalsContact CB-OD2 3.28Å; F160-D163 WeakPolarHBondContact CB-OD2 3.47Å; F160-D163 WeakPolarHBondContact O-CB 3.21Å; F160-D163 PolarHBondContact O-N 2.9Å; F160-D163 VanDerWaalsContact O-N 3.08Å; P161-D163 PolarHBondContact O-N 3.45Å; D163-Q182 WeakPolarHBondContact O-CA 3.49Å; D163-K183 WeakPolarHBondContact O-CG 3.47Å; D163-K183 PolarHBondContact O-N 3.01Å
164Y98.2Very high95.1Very high5 Ų549.1 Ų49.12%0.0224%0.241CC..EExtended strand (participates in β ladder)trans-117.1142.8-166.7-51.9-78.4000111.8I132 L157 F160 P161 D162 Y181 Q182 K189I132-Y164 HydrophobicContact CD1-CD2 3.93Å; I132-Y164 HydrophobicContact CD1-CG 4.25Å; I132-Y164 PolarHBondContact N-O 3.06Å; L157-Y164 HydrophobicContact CB-CD2 4.06Å; L157-Y164 HydrophobicContact CB-CE2 3.91Å; L157-Y164 HydrophobicContact CD2-CD1 4.28Å; L157-Y164 HydrophobicContact CD2-CE1 3.68Å; L157-Y164 HydrophobicContact CD2-CE2 3.99Å; L157-Y164 WeakPolarHBondContact O-CE2 3.36Å; F160-Y164 WeakPolarHBondContact O-CD2 3.43Å; F160-Y164 WeakPolarHBondContact O-CE2 3.26Å; P161-Y164 PolarHBondContact O-N 3.47Å; D162-Y164 VanDerWaalsContact C-N 3.29Å; Y164-Y181 WeakPolarHBondContact CA-O 3.11Å; Y164-Q182 HydrophobicContact CD1-CB 4.5Å; Y164-Q182 HydrophobicContact CD1-CG 3.63Å; Y164-Q182 HydrophobicContact CE1-CG 3.28Å; Y164-K189 HydrophobicContact CD1-CG 4.1Å; Y164-K189 HydrophobicContact CE1-CD 4.4Å; Y164-K189 HydrophobicContact CE1-CG 3.78Å
165R98.5Very high95.3Very high82 Ų8248.6 Ų48.631%0.30924%0.238SC..EExtended strand (participates in β ladder)trans-118.7153.2167.3-51.9-151.977.6104.3-2.7109.8E129 L130 I180 Y181 K183E129-R165 HydrophobicContact CG-CB 4.49Å; E129-R165 WeakPolarHBondContact OE1-CD 3.47Å; E129-R165 IonicContact OE1-NE 3.79Å; L130-R165 WeakPolarHBondContact O-CA 3.47Å; R165-I180 WeakPolarHBondContact O-CA 3.42Å; R165-Y181 HydrophobicContact CB-CD1 4.45Å; R165-Y181 HydrophobicContact CB-CE1 3.82Å; R165-Y181 PolarHBondContact N-O 3.22Å; R165-Y181 PolarHBondContact O-N 2.91Å; R165-K183 HydrophobicContact CG-CB 4Å
166I98.6Very high95.5Very high0 Ų047.4 Ų47.40%023%0.233CC..EExtended strand (participates in β ladder)trans-108.9128.5167.9-177.8161.9000108.9E129 L130 I132 F135 L140 H168 F178 I179 I180E129-I166 VanDerWaalsContact CA-O 3.28Å; E129-I166 WeakPolarHBondContact CA-O 3.41Å; L130-I166 HydrophobicContact CB-CG2 4.13Å; L130-I166 PolarHBondContact N-O 3.14Å; L130-I166 PolarHBondContact O-N 2.98Å; I132-I166 HydrophobicContact CG2-CB 4.29Å; F135-I166 HydrophobicContact CB-CD1 4.48Å; F135-I166 HydrophobicContact CB-CG2 3.74Å; F135-I166 HydrophobicContact CD1-CD1 3.81Å; F135-I166 HydrophobicContact CD2-CD1 3.97Å; F135-I166 HydrophobicContact CD2-CG2 4.01Å; F135-I166 HydrophobicContact CE1-CD1 4.04Å; F135-I166 HydrophobicContact CE2-CD1 4.15Å; F135-I166 HydrophobicContact CG-CD1 3.8Å; F135-I166 HydrophobicContact CG-CG2 4Å; F135-I166 HydrophobicContact CZ-CD1 4.18Å; L140-I166 HydrophobicContact CD1-CD1 3.72Å; L140-I166 HydrophobicContact CD2-CD1 4.14Å; I166-H168 HydrophobicContact CG1-CB 4.42Å; I166-F178 HydrophobicContact CD1-CB 4.07Å; I166-F178 HydrophobicContact CD1-CD2 4.17Å; I166-F178 HydrophobicContact CD1-CG 4.38Å; I166-F178 HydrophobicContact CG1-CB 4.28Å; I166-I179 WeakPolarHBondContact CA-O 3.24Å; I166-I180 HydrophobicContact CB-CG1 4.23Å; I166-I180 HydrophobicContact CD1-CG1 4.17Å; I166-I180 HydrophobicContact CG1-CG1 4.22Å
167M98.5Very high95.6Very high0 Ų047.2 Ų47.20%023%0.233CC..EExtended strand (participates in β ladder)trans-108.2129.5167-163.8-169.3-66.600107.5F127 Q128 F178 I179 Y181 L204 N207 L208F127-M167 HydrophobicContact CB-CG 4.34Å; F127-M167 HydrophobicContact CD2-CG 3.35Å; F127-M167 HydrophobicContact CD2-SD 3.78Å; F127-M167 HydrophobicContact CE2-CE 4.32Å; F127-M167 HydrophobicContact CE2-CG 3.94Å; F127-M167 HydrophobicContact CE2-SD 4.02Å; F127-M167 HydrophobicContact CG-CG 4.09Å; F127-M167 HydrophobicContact CG-SD 4.25Å; Q128-M167 WeakPolarHBondContact O-CA 3.31Å; M167-F178 CarbonylContact O-C 3.56Å; M167-F178 VanDerWaalsContact O-CA 3.25Å; M167-F178 WeakPolarHBondContact O-CA 3.48Å; M167-I179 HydrophobicContact CB-CD1 4.18Å; M167-I179 HydrophobicContact CB-CG1 3.72Å; M167-I179 PolarHBondContact N-O 2.91Å; M167-I179 PolarHBondContact O-N 3.14Å; M167-I179 HydrophobicContact SD-CD1 4.31Å; M167-Y181 HydrophobicContact CB-CE1 4.31Å; M167-Y181 HydrophobicContact CE-CE1 4.35Å; M167-L204 HydrophobicContact CG-CD2 3.84Å; M167-L204 HydrophobicContact SD-CB 4.32Å; M167-L204 HydrophobicContact SD-CD2 3.8Å; M167-N207 HydrophobicContact CE-CB 4.24Å; M167-N207 HydrophobicContact SD-CB 3.73Å; M167-L208 HydrophobicContact CE-CD1 4.47Å
168H98.6Very high95.7Very high0 Ų047.2 Ų47.20%023%0.233CC..EExtended strand (participates in β ladder)trans-147154.2-175.666.490.6000113.1F127 Q128 F135 I166 A177 F178F127-H168 CarbonylContact C-O 3.52Å; F127-H168 VanDerWaalsContact CA-O 3.28Å; F127-H168 WeakPolarHBondContact CA-O 3.45Å; Q128-H168 PolarHBondContact N-O 3.28Å; Q128-H168 PolarHBondContact O-N 2.86Å; F135-H168 AromaticContact CD2-CD2 3.79Å; F135-H168 AromaticContact CD2-NE2 3.75Å; F135-H168 AromaticContact CE2-CD2 3.52Å; F135-H168 AromaticContact CE2-CE1 3.82Å; F135-H168 AromaticContact CE2-CG 3.79Å; F135-H168 AromaticContact CE2-ND1 3.97Å; F135-H168 AromaticContact CE2-NE2 3.55Å; I166-H168 HydrophobicContact CG1-CB 4.42Å; H168-A177 CarbonylContact C-O 3.59Å; H168-A177 WeakPolarHBondContact CA-O 3.35Å; H168-A177 WeakPolarHBondContact CB-O 3.41Å; H168-F178 HydrophobicContact CB-CB 3.96Å
169T98.4Very high96Very high2 Ų241.9 Ų41.91%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-100.6152.3168.260.90000110.6T124 F127 N176 A177 E200 L204T124-T169 HydrophobicContact CG2-CG2 4.17Å; F127-T169 HydrophobicContact CB-CG2 4.5Å; T169-N176 PolarHBondContact O-N 2.91Å; T169-N176 WeakPolarHBondContact OG1-CB 3.19Å; T169-A177 PolarHBondContact N-O 3.08Å; T169-A177 PolarHBondContact OG1-N 2.79Å; T169-A177 VanDerWaalsContact OG1-N 3.13Å; T169-E200 VanDerWaalsContact CB-OE2 3.29Å; T169-E200 WeakPolarHBondContact CB-OE2 3.41Å; T169-E200 HydrophobicContact CG2-CB 4.31Å; T169-E200 PolarHBondContact OG1-OE2 2.93Å; T169-L204 HydrophobicContact CG2-CD1 4.47Å; T169-L204 HydrophobicContact CG2-CD2 3.87Å; T169-L204 HydrophobicContact CG2-CG 4.22Å
170G95.7Very high96.2Very high23 Ų2338.7 Ų38.724%0.23719%0.19CC..EExtended strand (participates in β ladder)trans79.6-154.5-170.300000112Q128Q128-G170 PolarHBondContact NE2-O 3.31Å
171N92.1Very high96.4Very high63 Ų6336.4 Ų36.434%0.33718%0.181SC..  trans-118.7173.3177.464.962.9000110.9K173 E174 C175N171-K173 PolarHBondContact O-N 3.5Å; N171-K173 VanDerWaalsContact O-N 3.16Å; N171-K173 WeakPolarHBondContact OD1-CA 3.44Å; N171-K173 WeakPolarHBondContact OD1-CB 3.22Å; N171-K173 PolarHBondContact OD1-N 2.85Å; N171-E174 CarbonylContact O-C 3.58Å; N171-E174 PolarHBondContact O-N 3.44Å; N171-E174 VanDerWaalsContact O-N 3.09Å; N171-E174 PolarHBondContact OD1-N 2.73Å; N171-C175 WeakPolarHBondContact O-CA 3.21Å; N171-C175 PolarHBondContact O-N 2.87Å
172E87.7Confident96.4Very high68 Ų6836.4 Ų36.432%0.31818%0.178SC..SBendtrans-62.4-24.3-174.7-55.685.3168.700113F135 P136F135-E172 HydrophobicContact CD2-CG 4.01Å; F135-E172 HydrophobicContact CE2-CB 4.2Å; F135-E172 HydrophobicContact CE2-CG 3.98Å; P136-E172 HydrophobicContact CG-CB 4.09Å
173K86.9Confident96.4Very high189 Ų18934.2 Ų34.282%0.82216%0.162SC*.SBendtrans-88.4-30.2176.1-60.2-178.8-179.21780112.6N171N171-K173 PolarHBondContact O-N 3.5Å; N171-K173 VanDerWaalsContact O-N 3.16Å; N171-K173 WeakPolarHBondContact OD1-CA 3.44Å; N171-K173 WeakPolarHBondContact OD1-CB 3.22Å; N171-K173 PolarHBondContact OD1-N 2.85Å
174E92.9Very high96.2Very high125 Ų12539.8 Ų39.858%0.58419%0.192SC*.SBendtrans-13057.3-176.4-67-172.3166.800110.7N171 N176N171-E174 CarbonylContact O-C 3.58Å; N171-E174 PolarHBondContact O-N 3.44Å; N171-E174 VanDerWaalsContact O-N 3.09Å; N171-E174 PolarHBondContact OD1-N 2.73Å; E174-N176 PolarHBondContact O-N 2.99Å
175C97.6Very high96Very high3 Ų341.2 Ų41.22%0.0220%0.203CC..EExtended strand (participates in β ladder)trans-65.4130.9176.5-179.60000109.5F135 L143 N171 A177 R194F135-C175 HydrophobicContact CZ-CB 4.13Å; L143-C175 HydrophobicContact CD1-CB 3.78Å; N171-C175 WeakPolarHBondContact O-CA 3.21Å; N171-C175 PolarHBondContact O-N 2.87Å; C175-A177 PolarHBondContact SG-O 3.07Å; C175-R194 PolarHBondContact O-NE 2.95Å
176N97.7Very high95.9Very high33 Ų3337.3 Ų37.318%0.17619%0.188CC..EExtended strand (participates in β ladder)trans-96.9-45-179.8-75.2-33.4000111.7T169 E174 R193 R194 R197 E200T169-N176 PolarHBondContact O-N 2.91Å; T169-N176 WeakPolarHBondContact OG1-CB 3.19Å; E174-N176 PolarHBondContact O-N 2.99Å; N176-R193 CarbonylContact O-C 3.53Å; N176-R193 VanDerWaalsContact O-CA 3.27Å; N176-R193 WeakPolarHBondContact O-CA 3.37Å; N176-R194 PolarHBondContact O-N 3.2Å; N176-R197 HydrophobicContact CB-CG 4.44Å; N176-E200 WeakPolarHBondContact CB-OE2 3.38Å
177A98.5Very high95.8Very high0 Ų039 Ų390%020%0.196CC..EExtended strand (participates in β ladder)trans-147.2152172.600000109.5H168 T169 C175 G192 R193 E200 L201 L204H168-A177 CarbonylContact C-O 3.59Å; H168-A177 WeakPolarHBondContact CA-O 3.35Å; H168-A177 WeakPolarHBondContact CB-O 3.41Å; T169-A177 PolarHBondContact N-O 3.08Å; T169-A177 PolarHBondContact OG1-N 2.79Å; T169-A177 VanDerWaalsContact OG1-N 3.13Å; C175-A177 PolarHBondContact SG-O 3.07Å; A177-G192 CarbonylContact C-O 3.59Å; A177-G192 VanDerWaalsContact CA-O 3.27Å; A177-G192 WeakPolarHBondContact CA-O 3.32Å; A177-R193 HydrophobicContact CB-CB 4.2Å; A177-E200 HydrophobicContact CB-CB 3.91Å; A177-L201 HydrophobicContact CB-CB 4.03Å; A177-L204 HydrophobicContact CB-CD1 4.1Å
178F98.6Very high95.8Very high0 Ų039 Ų390%020%0.196CC..EExtended strand (participates in β ladder)trans-146.7155.9176.777.3-85.5000112.1L140 L143 R144 I166 M167 H168 I180 Q190 W191 G192 L201L140-F178 HydrophobicContact CB-CD1 4.49Å; L140-F178 HydrophobicContact CB-CE1 3.87Å; L140-F178 HydrophobicContact CB-CE2 4.45Å; L140-F178 HydrophobicContact CB-CZ 3.86Å; L140-F178 HydrophobicContact CD1-CD2 4.03Å; L140-F178 HydrophobicContact CD1-CE2 3.88Å; L140-F178 HydrophobicContact CD1-CG 4.44Å; L140-F178 HydrophobicContact CD1-CZ 4.14Å; L140-F178 HydrophobicContact CD2-CB 4.36Å; L140-F178 HydrophobicContact CD2-CD1 3.65Å; L140-F178 HydrophobicContact CD2-CD2 4.26Å; L140-F178 HydrophobicContact CD2-CE1 3.91Å; L140-F178 HydrophobicContact CD2-CG 3.82Å; L140-F178 HydrophobicContact CD2-CZ 4.35Å; L140-F178 HydrophobicContact CG-CD1 4.5Å; L140-F178 HydrophobicContact CG-CE1 4.32Å; L140-F178 HydrophobicContact CG-CZ 4.35Å; L143-F178 HydrophobicContact CB-CD1 4.24Å; L143-F178 HydrophobicContact CB-CE1 3.85Å; L143-F178 HydrophobicContact CD1-CD1 4.01Å; L143-F178 HydrophobicContact CD1-CE1 4.29Å; R144-F178 HydrophobicContact CG-CZ 4.11Å; I166-F178 HydrophobicContact CD1-CB 4.07Å; I166-F178 HydrophobicContact CD1-CD2 4.17Å; I166-F178 HydrophobicContact CD1-CG 4.38Å; I166-F178 HydrophobicContact CG1-CB 4.28Å; M167-F178 CarbonylContact O-C 3.56Å; M167-F178 VanDerWaalsContact O-CA 3.25Å; M167-F178 WeakPolarHBondContact O-CA 3.48Å; H168-F178 HydrophobicContact CB-CB 3.96Å; F178-I180 HydrophobicContact CD2-CG1 4.04Å; F178-I180 HydrophobicContact CE2-CD1 4.26Å; F178-I180 HydrophobicContact CE2-CG1 4.13Å; F178-Q190 HydrophobicContact CE2-CB 3.94Å; F178-W191 VanDerWaalsContact CZ-C 3.43Å; F178-W191 VanDerWaalsContact O-CA 3.27Å; F178-W191 WeakPolarHBondContact O-CA 3.41Å; F178-G192 PolarHBondContact N-O 2.72Å; F178-G192 PolarHBondContact O-N 2.88Å; F178-L201 VanDerWaalsContact O-CD1 3.31Å; F178-L201 WeakPolarHBondContact O-CD1 3.37Å
179I98.7Very high95.7Very high0 Ų039.3 Ų39.30%020%0.197CC..EExtended strand (participates in β ladder)trans-130.5137.1161.256.7174.2000108.8I166 M167 V188 Q190 W191 L201 L204 M205 L208I166-I179 WeakPolarHBondContact CA-O 3.24Å; M167-I179 HydrophobicContact CB-CD1 4.18Å; M167-I179 HydrophobicContact CB-CG1 3.72Å; M167-I179 PolarHBondContact N-O 2.91Å; M167-I179 PolarHBondContact O-N 3.14Å; M167-I179 HydrophobicContact SD-CD1 4.31Å; I179-V188 HydrophobicContact CB-CG1 4.23Å; I179-V188 HydrophobicContact CG2-CG1 4.41Å; I179-Q190 CarbonylContact C-O 3.43Å; I179-Q190 WeakPolarHBondContact CA-O 3.25Å; I179-W191 HydrophobicContact CG2-CB 4.09Å; I179-L201 HydrophobicContact CG2-CD1 3.59Å; I179-L204 HydrophobicContact CD1-CB 4.08Å; I179-L204 HydrophobicContact CG1-CB 4.22Å; I179-L204 HydrophobicContact CG2-CB 4.45Å; I179-M205 HydrophobicContact CD1-SD 4.37Å; I179-M205 HydrophobicContact CG2-SD 4.03Å; I179-L208 HydrophobicContact CD1-CB 4Å; I179-L208 HydrophobicContact CD1-CD2 4Å; I179-L208 HydrophobicContact CD1-CG 4.43Å
180I98.6Very high95.7Very high0 Ų039.4 Ų39.40%020%0.198CC..EExtended strand (participates in β ladder)trans-106129166-61.6176.3000107.1I132 L137 L140 L157 R165 I166 F178 V188 K189 Q190I132-I180 HydrophobicContact CG2-CG1 4.5Å; I132-I180 HydrophobicContact CG2-CG2 3.81Å; L137-I180 HydrophobicContact CD2-CD1 4.1Å; L140-I180 HydrophobicContact CD1-CD1 3.92Å; L157-I180 HydrophobicContact CD1-CG2 3.94Å; R165-I180 WeakPolarHBondContact O-CA 3.42Å; I166-I180 HydrophobicContact CB-CG1 4.23Å; I166-I180 HydrophobicContact CD1-CG1 4.17Å; I166-I180 HydrophobicContact CG1-CG1 4.22Å; F178-I180 HydrophobicContact CD2-CG1 4.04Å; F178-I180 HydrophobicContact CE2-CD1 4.26Å; F178-I180 HydrophobicContact CE2-CG1 4.13Å; I180-V188 CarbonylContact O-C 3.59Å; I180-V188 WeakPolarHBondContact O-CG1 3.2Å; I180-K189 PolarHBondContact O-N 3.15Å; I180-Q190 HydrophobicContact CB-CB 4.12Å; I180-Q190 HydrophobicContact CD1-CB 4.24Å; I180-Q190 HydrophobicContact CG1-CB 4.37Å; I180-Q190 PolarHBondContact N-O 2.93Å; I180-Q190 PolarHBondContact O-N 3.3Å
181Y98.3Very high95.8Very high3 Ų339.9 Ų39.91%0.01219%0.192CC..EExtended strand (participates in β ladder)trans-142.3153.8-175.173-85000112E129 Y164 R165 M167 Q187 L208 R211 Y212E129-Y181 PolarHBondContact OE1-OH 3.48Å; Y164-Y181 WeakPolarHBondContact CA-O 3.11Å; R165-Y181 HydrophobicContact CB-CD1 4.45Å; R165-Y181 HydrophobicContact CB-CE1 3.82Å; R165-Y181 PolarHBondContact N-O 3.22Å; R165-Y181 PolarHBondContact O-N 2.91Å; M167-Y181 HydrophobicContact CB-CE1 4.31Å; M167-Y181 HydrophobicContact CE-CE1 4.35Å; Y181-Q187 CarbonylContact C-O 3.46Å; Y181-Q187 VanDerWaalsContact CA-O 3.26Å; Y181-Q187 WeakPolarHBondContact CA-O 3.36Å; Y181-L208 HydrophobicContact CD1-CD1 4.03Å; Y181-L208 HydrophobicContact CD2-CD1 3.61Å; Y181-L208 HydrophobicContact CE1-CD1 4.02Å; Y181-L208 HydrophobicContact CE2-CD1 3.58Å; Y181-L208 HydrophobicContact CG-CD1 3.82Å; Y181-L208 HydrophobicContact CG-CD2 4.33Å; Y181-R211 PolarHBondContact OH-NH1 3.06Å; Y181-R211 VanDerWaalsContact OH-NH1 3.12Å; Y181-Y212 HydrophobicContact CD2-CE2 4.28Å; Y181-Y212 AromaticContact CE2-CE2 3.83Å; Y181-Y212 HydrophobicContact CE2-CE2 3.83Å; Y181-Y212 AromaticContact CE2-CZ 3.99Å; Y181-Y212 WeakPolarHBondContact CE2-OH 3.38Å
182Q96.9Very high96.1Very high35 Ų3537 Ų3716%0.16418%0.177CC..EExtended strand (participates in β ladder)trans-73.8122.8173.2-78.5-177.6-30.400110.5D163 Y164 D184 S185 G186 Q187 K189D163-Q182 WeakPolarHBondContact O-CA 3.49Å; Y164-Q182 HydrophobicContact CD1-CB 4.5Å; Y164-Q182 HydrophobicContact CD1-CG 3.63Å; Y164-Q182 HydrophobicContact CE1-CG 3.28Å; Q182-D184 VanDerWaalsContact C-N 3.26Å; Q182-D184 PolarHBondContact O-N 3.12Å; Q182-S185 VanDerWaalsContact CB-OG 3.3Å; Q182-S185 WeakPolarHBondContact CB-OG 3.28Å; Q182-S185 PolarHBondContact O-N 2.87Å; Q182-S185 PolarHBondContact OE1-OG 3.32Å; Q182-S185 VanDerWaalsContact OE1-OG 3.06Å; Q182-G186 PolarHBondContact O-N 3.04Å; Q182-Q187 PolarHBondContact N-O 2.9Å; Q182-K189 HydrophobicContact CG-CD 4.41Å; Q182-K189 HydrophobicContact CG-CG 4.26Å
183K96.1Very high96.6Very high71 Ų7135.3 Ų35.331%0.30917%0.168SC..THydrogen-bonded Turntrans-64.1-26.8-172.676.2-170.7177.5-1710114D162 D163 R165 Y212D162-K183 WeakPolarHBondContact O-CD 3.25Å; D162-K183 VanDerWaalsContact O-CE 3.3Å; D162-K183 WeakPolarHBondContact O-CE 3.35Å; D162-K183 PolarHBondContact O-NZ 3.37Å; D163-K183 WeakPolarHBondContact O-CG 3.47Å; D163-K183 PolarHBondContact O-N 3.01Å; R165-K183 HydrophobicContact CG-CB 4Å; K183-Y212 WeakPolarHBondContact O-CE1 3.37Å; K183-Y212 PolarHBondContact O-OH 2.84Å
184D93.1Very high97.1Very high134 Ų13431.7 Ų31.772%0.71715%0.149SC*.THydrogen-bonded Turntrans-92.7-22.9-176.3-62.6-36.5000112.7Q182Q182-D184 VanDerWaalsContact C-N 3.26Å; Q182-D184 PolarHBondContact O-N 3.12Å
185S93.5Very high97.2Very high35 Ų3534.5 Ų34.525%0.24516%0.162CC..THydrogen-bonded Turntrans-115.8-18.9-171.973.30000114.3Q182 Q187Q182-S185 VanDerWaalsContact CB-OG 3.3Å; Q182-S185 WeakPolarHBondContact CB-OG 3.28Å; Q182-S185 PolarHBondContact O-N 2.87Å; Q182-S185 PolarHBondContact OE1-OG 3.32Å; Q182-S185 VanDerWaalsContact OE1-OG 3.06Å; S185-Q187 PolarHBondContact O-N 3.13Å; S185-Q187 WeakPolarHBondContact OG-CB 3.27Å; S185-Q187 PolarHBondContact OG-N 2.94Å; S185-Q187 VanDerWaalsContact OG-N 3.15Å
186G96.4Very high97.1Very high0 Ų037.2 Ų37.20%019%0.191CC..  trans69.88.9-170.900000113.5Q182 V188Q182-G186 PolarHBondContact O-N 3.04Å; G186-V188 PolarHBondContact O-N 2.86Å
187Q96.8Very high97.1Very high34 Ų3440.7 Ų40.716%0.15920%0.201CC..EExtended strand (participates in β ladder)trans-69.5118.5175-176.3173.75.600109.4Y181 Q182 S185 K189 R216Y181-Q187 CarbonylContact C-O 3.46Å; Y181-Q187 VanDerWaalsContact CA-O 3.26Å; Y181-Q187 WeakPolarHBondContact CA-O 3.36Å; Q182-Q187 PolarHBondContact N-O 2.9Å; S185-Q187 PolarHBondContact O-N 3.13Å; S185-Q187 WeakPolarHBondContact OG-CB 3.27Å; S185-Q187 PolarHBondContact OG-N 2.94Å; S185-Q187 VanDerWaalsContact OG-N 3.15Å; Q187-K189 HydrophobicContact CG-CD 4.27Å; Q187-R216 HydrophobicContact CG-CB 4.38Å
188V98.4Very high97Very high1 Ų141.8 Ų41.81%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-80.4126.8176.3-178.60000108.7I179 I180 G186 Q190 W191 M205 L208 V215 R216 L217I179-V188 HydrophobicContact CB-CG1 4.23Å; I179-V188 HydrophobicContact CG2-CG1 4.41Å; I180-V188 CarbonylContact O-C 3.59Å; I180-V188 WeakPolarHBondContact O-CG1 3.2Å; G186-V188 PolarHBondContact O-N 2.86Å; V188-Q190 WeakPolarHBondContact CG1-O 3.44Å; V188-W191 HydrophobicContact CG1-CE3 3.86Å; V188-M205 HydrophobicContact CG2-CE 4.28Å; V188-M205 HydrophobicContact CG2-SD 4.15Å; V188-L208 HydrophobicContact CG2-CD2 3.32Å; V188-V215 HydrophobicContact CG2-CG1 4.11Å; V188-R216 PolarHBondContact N-O 2.91Å; V188-L217 HydrophobicContact CB-CD1 3.5Å; V188-L217 VanDerWaalsContact CB-CD1 3.5Å; V188-L217 HydrophobicContact CB-CG 3.72Å; V188-L217 HydrophobicContact CG1-CD1 4.13Å; V188-L217 HydrophobicContact CG1-CD2 4.42Å; V188-L217 HydrophobicContact CG1-CG 4.06Å; V188-L217 HydrophobicContact CG2-CD1 3.46Å; V188-L217 VanDerWaalsContact CG2-CD1 3.46Å; V188-L217 HydrophobicContact CG2-CG 4.25Å
189K97.4Very high97Very high6 Ų644.6 Ų44.63%0.02623%0.227CC..EExtended strand (participates in β ladder)trans-102.1-35.2-177.6-56.4-68-83.7155.80111.5E151 N152 L157 Y164 I180 Q182 Q187E151-K189 WeakPolarHBondContact O-CE 3.49Å; E151-K189 PolarHBondContact O-NZ 3.18Å; E151-K189 VanDerWaalsContact O-NZ 3.11Å; N152-K189 WeakPolarHBondContact CB-O 3.22Å; N152-K189 WeakPolarHBondContact OD1-CD 3.46Å; N152-K189 WeakPolarHBondContact OD1-CE 3.11Å; N152-K189 PolarHBondContact OD1-NZ 2.85Å; N152-K189 PolarHBondContact OD1-O 2.82Å; L157-K189 HydrophobicContact CD1-CB 4.21Å; L157-K189 HydrophobicContact CD2-CB 4.11Å; L157-K189 HydrophobicContact CD2-CG 4.23Å; Y164-K189 HydrophobicContact CD1-CG 4.1Å; Y164-K189 HydrophobicContact CE1-CD 4.4Å; Y164-K189 HydrophobicContact CE1-CG 3.78Å; I180-K189 PolarHBondContact O-N 3.15Å; Q182-K189 HydrophobicContact CG-CD 4.41Å; Q182-K189 HydrophobicContact CG-CG 4.26Å; Q187-K189 HydrophobicContact CG-CD 4.27Å
190Q97.9Very high97Very high4 Ų445.9 Ų45.92%0.01923%0.233CC..EExtended strand (participates in β ladder)trans-141.2158.3173.4-62.4-171.821.500111.5P148 N152 L157 F178 I179 I180 V188P148-Q190 HydrophobicContact CB-CG 4.4Å; P148-Q190 HydrophobicContact CG-CG 4.18Å; N152-Q190 VanDerWaalsContact O-CD 3.32Å; N152-Q190 WeakPolarHBondContact O-CG 3.24Å; N152-Q190 PolarHBondContact O-NE2 2.74Å; L157-Q190 HydrophobicContact CD1-CG 4.39Å; F178-Q190 HydrophobicContact CE2-CB 3.94Å; I179-Q190 CarbonylContact C-O 3.43Å; I179-Q190 WeakPolarHBondContact CA-O 3.25Å; I180-Q190 HydrophobicContact CB-CB 4.12Å; I180-Q190 HydrophobicContact CD1-CB 4.24Å; I180-Q190 HydrophobicContact CG1-CB 4.37Å; I180-Q190 PolarHBondContact N-O 2.93Å; I180-Q190 PolarHBondContact O-N 3.3Å; V188-Q190 WeakPolarHBondContact CG1-O 3.44Å
191W98.4Very high97Very high33 Ų3345.9 Ų45.913%0.12523%0.233CC..EExtended strand (participates in β ladder)trans-149.2161.5170.755.287.7000110F178 I179 V188 L201 L217 H218 I220 W227F178-W191 VanDerWaalsContact CZ-C 3.43Å; F178-W191 VanDerWaalsContact O-CA 3.27Å; F178-W191 WeakPolarHBondContact O-CA 3.41Å; I179-W191 HydrophobicContact CG2-CB 4.09Å; V188-W191 HydrophobicContact CG1-CE3 3.86Å; W191-L201 HydrophobicContact CB-CD1 3.93Å; W191-L201 HydrophobicContact CB-CD2 4.33Å; W191-L217 HydrophobicContact CD2-CD2 4.11Å; W191-L217 HydrophobicContact CE3-CD2 3.76Å; W191-L217 HydrophobicContact CE3-CG 4.22Å; W191-L217 HydrophobicContact CZ3-CD2 4.08Å; W191-L217 HydrophobicContact CZ3-CG 4.22Å; W191-H218 WeakPolarHBondContact CH2-O 3.27Å; W191-I220 HydrophobicContact CH2-CG1 3.98Å; W191-I220 HydrophobicContact CZ2-CB 4.21Å; W191-I220 HydrophobicContact CZ2-CG1 3.68Å; W191-W227 AromaticContact CD1-CD1 3.76Å; W191-W227 AromaticContact CD1-NE1 3.54Å; W191-W227 AromaticContact CE2-NE1 3.85Å; W191-W227 AromaticContact CG-NE1 3.89Å; W191-W227 AromaticContact NE1-CD1 3.4Å; W191-W227 AromaticContact NE1-NE1 3.47Å
192G98Very high97Very high2 Ų245.8 Ų45.82%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-174166.1172.900000111.9L143 A177 F178L143-G192 CarbonylContact O-C 3.46Å; L143-G192 WeakPolarHBondContact O-CA 3.41Å; A177-G192 CarbonylContact C-O 3.59Å; A177-G192 VanDerWaalsContact CA-O 3.27Å; A177-G192 WeakPolarHBondContact CA-O 3.32Å; F178-G192 PolarHBondContact N-O 2.72Å; F178-G192 PolarHBondContact O-N 2.88Å
193R97.9Very high97Very high33 Ų3346.9 Ų46.913%0.12524%0.238CC..EExtended strand (participates in β ladder)trans-158.1151.9-174.361-175-174.1-89.6-0.8111.1L143 N176 A177 R197 L201 D224L143-R193 PolarHBondContact O-N 3.24Å; L143-R193 VanDerWaalsContact O-O 3.11Å; N176-R193 CarbonylContact O-C 3.53Å; N176-R193 VanDerWaalsContact O-CA 3.27Å; N176-R193 WeakPolarHBondContact O-CA 3.37Å; A177-R193 HydrophobicContact CB-CB 4.2Å; R193-R197 HydrophobicContact CB-CB 4.42Å; R193-L201 HydrophobicContact CB-CB 4.25Å; R193-L201 HydrophobicContact CB-CD2 4.44Å; R193-L201 HydrophobicContact CG-CD2 4.36Å; R193-D224 IonicContact CZ-OD1 2.98Å; R193-D224 IonicContact CZ-OD2 3.52Å; R193-D224 IonicContact NH1-OD1 2.86Å; R193-D224 IonicContact NH1-OD2 3.86Å; R193-D224 PolarHBondContact NH1-OD2 3.48Å; R193-D224 VanDerWaalsContact NH2-CG 3.34Å; R193-D224 IonicContact NH2-OD1 3.2Å; R193-D224 PolarHBondContact NH2-OD1 3.38Å; R193-D224 IonicContact NH2-OD2 2.66Å; R193-D224 PolarHBondContact NH2-OD2 2.95Å; R193-D224 VanDerWaalsContact NH2-OD2 3.15Å
194R96.9Very high97.2Very high114 Ų11443.5 Ų43.543%0.4322%0.223SC..  trans-68.9156.5163.6-67.1-174.5179.5-92.7-2.1110L143 C175 N176 G196 R197L143-R194 HydrophobicContact CD2-CB 4.22Å; L143-R194 HydrophobicContact CD2-CG 3.27Å; C175-R194 PolarHBondContact O-NE 2.95Å; N176-R194 PolarHBondContact O-N 3.2Å; R194-G196 PolarHBondContact O-N 3.15Å; R194-R197 HydrophobicContact CB-CB 4.39Å; R194-R197 HydrophobicContact CB-CG 3.81Å; R194-R197 WeakPolarHBondContact O-CB 3.14Å; R194-R197 PolarHBondContact O-N 2.99Å
195E95.1Very high97.4Very high183 Ų18337.1 Ų37.186%0.85519%0.189SC*.THydrogen-bonded Turntrans-52.1135.3171.9-171.952-129.800110.8R197E195-R197 PolarHBondContact O-N 3.24Å
196G96Very high97.7Very high60 Ų6035.8 Ų35.862%0.61918%0.179SC*.THydrogen-bonded Turntrans73.8-2-174.900000116.4R194R194-G196 PolarHBondContact O-N 3.15Å
197R96.9Very high97.8Very high106 Ų10636.3 Ų36.340%0.418%0.182SC..  trans-100.725.9-179.1-55.5-57.5-163.7157.3-5.3114.4N176 R193 R194 E195 S199 E200 L201N176-R197 HydrophobicContact CB-CG 4.44Å; R193-R197 HydrophobicContact CB-CB 4.42Å; R194-R197 HydrophobicContact CB-CB 4.39Å; R194-R197 HydrophobicContact CB-CG 3.81Å; R194-R197 WeakPolarHBondContact O-CB 3.14Å; R194-R197 PolarHBondContact O-N 2.99Å; E195-R197 PolarHBondContact O-N 3.24Å; R197-S199 PolarHBondContact O-N 3.49Å; R197-E200 VanDerWaalsContact CD-OE1 3.25Å; R197-E200 WeakPolarHBondContact CD-OE1 3.48Å; R197-E200 IonicContact CZ-OE1 3.35Å; R197-E200 IonicContact NE-OE1 3.54Å; R197-E200 IonicContact NH1-OE1 2.65Å; R197-E200 PolarHBondContact NH1-OE1 2.85Å; R197-E200 PolarHBondContact O-N 2.84Å; R197-L201 PolarHBondContact O-N 3.38Å
198I97.8Very high97.8Very high23 Ų2334.7 Ų34.712%0.11818%0.175CC..Hα-helixtrans-56.7-37.3176.1-172.177.7000112.9L201 G202 L226 W227 K230I198-L201 PolarHBondContact O-N 3.14Å; I198-G202 PolarHBondContact O-N 3.22Å; I198-L226 HydrophobicContact CB-CD2 3.97Å; I198-L226 HydrophobicContact CB-CG 4.31Å; I198-L226 HydrophobicContact CD1-CD2 4.06Å; I198-L226 HydrophobicContact CD1-CG 3.8Å; I198-L226 HydrophobicContact CG1-CD2 4.08Å; I198-L226 HydrophobicContact CG1-CG 3.87Å; I198-L226 HydrophobicContact CG2-CD2 4.23Å; I198-W227 HydrophobicContact CD1-CB 4.32Å; I198-W227 HydrophobicContact CD1-CD2 4.46Å; I198-W227 HydrophobicContact CD1-CE3 3.62Å; I198-W227 HydrophobicContact CD1-CZ3 4.39Å; I198-W227 HydrophobicContact CG1-CE3 4.49Å; I198-K230 HydrophobicContact CD1-CB 4.22Å; I198-K230 HydrophobicContact CG1-CB 4.01Å; I198-K230 HydrophobicContact CG1-CG 4.04Å
199S97.6Very high97.8Very high60 Ų6035.3 Ų35.342%0.4218%0.179SC..Hα-helixtrans-64.4-41.7179-58.40000111.7R197 L201 G202 E203R197-S199 PolarHBondContact O-N 3.49Å; S199-L201 PolarHBondContact O-N 2.75Å; S199-G202 CarbonylContact O-C 3.49Å; S199-G202 WeakPolarHBondContact O-CA 3.44Å; S199-G202 PolarHBondContact O-N 3.04Å; S199-G202 VanDerWaalsContact O-N 3.11Å; S199-E203 WeakPolarHBondContact O-CG 3.3Å; S199-E203 PolarHBondContact O-N 2.78Å
200E98.1Very high97.8Very high26 Ų2641.6 Ų41.612%0.12121%0.208CC..Hα-helixtrans-64.3-41.4177.6-68.7-176.7-143.300111.5T169 N176 A177 R197 G202 E203 L204T169-E200 VanDerWaalsContact CB-OE2 3.29Å; T169-E200 WeakPolarHBondContact CB-OE2 3.41Å; T169-E200 HydrophobicContact CG2-CB 4.31Å; T169-E200 PolarHBondContact OG1-OE2 2.93Å; N176-E200 WeakPolarHBondContact CB-OE2 3.38Å; A177-E200 HydrophobicContact CB-CB 3.91Å; R197-E200 VanDerWaalsContact CD-OE1 3.25Å; R197-E200 WeakPolarHBondContact CD-OE1 3.48Å; R197-E200 IonicContact CZ-OE1 3.35Å; R197-E200 IonicContact NE-OE1 3.54Å; R197-E200 IonicContact NH1-OE1 2.65Å; R197-E200 PolarHBondContact NH1-OE1 2.85Å; R197-E200 PolarHBondContact O-N 2.84Å; E200-G202 VanDerWaalsContact C-N 3.27Å; E200-G202 PolarHBondContact O-N 2.82Å; E200-E203 WeakPolarHBondContact O-CB 3.33Å; E200-E203 PolarHBondContact O-N 3.29Å; E200-L204 WeakPolarHBondContact O-CG 3.27Å; E200-L204 PolarHBondContact O-N 2.86Å
201L98.5Very high97.7Very high0 Ų046.1 Ų46.10%023%0.225CC..Hα-helixtrans-61.2-39.8173.3179.859.4000111.5A177 F178 I179 W191 R193 R197 I198 S199 L204 M205 W227A177-L201 HydrophobicContact CB-CB 4.03Å; F178-L201 VanDerWaalsContact O-CD1 3.31Å; F178-L201 WeakPolarHBondContact O-CD1 3.37Å; I179-L201 HydrophobicContact CG2-CD1 3.59Å; W191-L201 HydrophobicContact CB-CD1 3.93Å; W191-L201 HydrophobicContact CB-CD2 4.33Å; R193-L201 HydrophobicContact CB-CB 4.25Å; R193-L201 HydrophobicContact CB-CD2 4.44Å; R193-L201 HydrophobicContact CG-CD2 4.36Å; R197-L201 PolarHBondContact O-N 3.38Å; I198-L201 PolarHBondContact O-N 3.14Å; S199-L201 PolarHBondContact O-N 2.75Å; L201-L204 PolarHBondContact O-N 3.4Å; L201-M205 PolarHBondContact O-N 2.95Å; L201-W227 HydrophobicContact CB-CH2 4.41Å; L201-W227 HydrophobicContact CB-CZ3 4.25Å; L201-W227 HydrophobicContact CD1-CH2 4.43Å; L201-W227 HydrophobicContact CD1-CZ2 4.45Å; L201-W227 HydrophobicContact CD2-CD2 3.81Å; L201-W227 HydrophobicContact CD2-CE3 3.81Å; L201-W227 HydrophobicContact CD2-CH2 3.91Å; L201-W227 HydrophobicContact CD2-CZ2 3.86Å; L201-W227 HydrophobicContact CD2-CZ3 3.87Å; L201-W227 HydrophobicContact CG-CE3 4.21Å; L201-W227 HydrophobicContact CG-CH2 3.54Å; L201-W227 HydrophobicContact CG-CZ2 3.83Å; L201-W227 HydrophobicContact CG-CZ3 3.73Å
202G98.5Very high97.7Very high1 Ų146.8 Ų46.81%0.0123%0.228CC..Hα-helixtrans-64-40.1174.400000113.2I198 S199 E200 M205 V206I198-G202 PolarHBondContact O-N 3.22Å; S199-G202 CarbonylContact O-C 3.49Å; S199-G202 WeakPolarHBondContact O-CA 3.44Å; S199-G202 PolarHBondContact O-N 3.04Å; S199-G202 VanDerWaalsContact O-N 3.11Å; E200-G202 VanDerWaalsContact C-N 3.27Å; E200-G202 PolarHBondContact O-N 2.82Å; G202-M205 WeakPolarHBondContact O-CB 3.48Å; G202-M205 PolarHBondContact O-N 2.92Å; G202-V206 WeakPolarHBondContact O-CG2 3.41Å; G202-V206 PolarHBondContact O-N 3.34Å; G202-V206 VanDerWaalsContact O-N 3.1Å
203E98.6Very high97.4Very high59 Ų5955.7 Ų55.728%0.27627%0.269SS..Hα-helixtrans-60.4-45.7175.5-73163-173.500110.9T124 S199 E200 M205 V206 N207T124-E203 WeakPolarHBondContact CB-OE2 3.44Å; T124-E203 HydrophobicContact CG2-CB 4.02Å; S199-E203 WeakPolarHBondContact O-CG 3.3Å; S199-E203 PolarHBondContact O-N 2.78Å; E200-E203 WeakPolarHBondContact O-CB 3.33Å; E200-E203 PolarHBondContact O-N 3.29Å; E203-M205 PolarHBondContact O-N 2.64Å; E203-V206 WeakPolarHBondContact O-CA 3.27Å; E203-V206 WeakPolarHBondContact O-CB 3.3Å; E203-V206 PolarHBondContact O-N 2.89Å; E203-N207 PolarHBondContact O-N 2.97Å; E203-N207 PolarHBondContact O-OD1 2.9Å
204L98.8Very high97.3Very high0 Ų056.6 Ų56.60%028%0.276CS..Hα-helixtrans-57.1-37.5174.9-64-178.9000112.5T124 F127 M167 T169 A177 I179 E200 L201 N207 L208T124-L204 HydrophobicContact CG2-CD2 4.4Å; F127-L204 HydrophobicContact CB-CD2 3.67Å; F127-L204 HydrophobicContact CG-CD2 4.39Å; M167-L204 HydrophobicContact CG-CD2 3.84Å; M167-L204 HydrophobicContact SD-CB 4.32Å; M167-L204 HydrophobicContact SD-CD2 3.8Å; T169-L204 HydrophobicContact CG2-CD1 4.47Å; T169-L204 HydrophobicContact CG2-CD2 3.87Å; T169-L204 HydrophobicContact CG2-CG 4.22Å; A177-L204 HydrophobicContact CB-CD1 4.1Å; I179-L204 HydrophobicContact CD1-CB 4.08Å; I179-L204 HydrophobicContact CG1-CB 4.22Å; I179-L204 HydrophobicContact CG2-CB 4.45Å; E200-L204 WeakPolarHBondContact O-CG 3.27Å; E200-L204 PolarHBondContact O-N 2.86Å; L201-L204 PolarHBondContact O-N 3.4Å; L204-N207 PolarHBondContact O-N 3.46Å; L204-L208 PolarHBondContact O-N 3.02Å
205M98.6Very high97.4Very high0 Ų051.1 Ų51.10%026%0.256CS..Hα-helixtrans-66.7-34.6174.1-72.4-54.7-5300113.1I179 V188 L201 G202 E203 L208 S209 V215 L217 W227 M231 L234 F236I179-M205 HydrophobicContact CD1-SD 4.37Å; I179-M205 HydrophobicContact CG2-SD 4.03Å; V188-M205 HydrophobicContact CG2-CE 4.28Å; V188-M205 HydrophobicContact CG2-SD 4.15Å; L201-M205 PolarHBondContact O-N 2.95Å; G202-M205 WeakPolarHBondContact O-CB 3.48Å; G202-M205 PolarHBondContact O-N 2.92Å; E203-M205 PolarHBondContact O-N 2.64Å; M205-L208 PolarHBondContact O-N 2.98Å; M205-S209 WeakPolarHBondContact O-CB 3.44Å; M205-S209 PolarHBondContact O-N 3Å; M205-S209 PolarHBondContact O-OG 3.17Å; M205-V215 HydrophobicContact CE-CG1 3.56Å; M205-L217 HydrophobicContact CE-CD1 3.21Å; M205-L217 HydrophobicContact SD-CD1 3.79Å; M205-L217 HydrophobicContact SD-CD2 4.38Å; M205-W227 HydrophobicContact CB-CH2 4.44Å; M205-W227 HydrophobicContact CG-CH2 3.49Å; M205-W227 VanDerWaalsContact CG-CH2 3.49Å; M205-W227 HydrophobicContact CG-CZ2 3.71Å; M205-W227 HydrophobicContact SD-CZ2 4.43Å; M205-M231 HydrophobicContact CE-CE 4.21Å; M205-M231 HydrophobicContact CG-SD 4.3Å; M205-L234 HydrophobicContact CB-CD1 4.28Å; M205-F236 HydrophobicContact CB-CE2 4.24Å; M205-F236 HydrophobicContact CB-CZ 4.28Å; M205-F236 HydrophobicContact CE-CE1 3.81Å; M205-F236 HydrophobicContact CE-CE2 4.27Å; M205-F236 HydrophobicContact CE-CZ 3.5Å
206V98.5Very high97.5Very high6 Ų645.8 Ų45.84%0.03623%0.228CC..Hα-helixtrans-66.2-48.4172.1-175.90000109.9A117 M121 G123 G202 E203 L208 S209 E210 L234A117-V206 HydrophobicContact CB-CB 4.28Å; A117-V206 HydrophobicContact CB-CG1 4.23Å; A117-V206 HydrophobicContact CB-CG2 3.81Å; M121-V206 HydrophobicContact CB-CG1 4.48Å; M121-V206 HydrophobicContact CB-CG2 3.84Å; G123-V206 VanDerWaalsContact N-CG1 3.33Å; G202-V206 WeakPolarHBondContact O-CG2 3.41Å; G202-V206 PolarHBondContact O-N 3.34Å; G202-V206 VanDerWaalsContact O-N 3.1Å; E203-V206 WeakPolarHBondContact O-CA 3.27Å; E203-V206 WeakPolarHBondContact O-CB 3.3Å; E203-V206 PolarHBondContact O-N 2.89Å; V206-L208 PolarHBondContact O-N 3.49Å; V206-S209 WeakPolarHBondContact O-CA 3.25Å; V206-S209 WeakPolarHBondContact O-CB 3.26Å; V206-S209 PolarHBondContact O-N 3.08Å; V206-E210 PolarHBondContact O-N 2.83Å; V206-E210 VanDerWaalsContact O-N 3.15Å; V206-L234 HydrophobicContact CG2-CD2 3.6Å
207N98.5Very high97.5Very high11 Ų1143 Ų436%0.05920%0.199CC..Hα-helixtrans-56-38176.1-71.795.6000112.3G123 T124 F127 M167 E203 L204 R211G123-N207 VanDerWaalsContact CA-OD1 3.3Å; G123-N207 WeakPolarHBondContact CA-OD1 3.45Å; T124-N207 PolarHBondContact N-OD1 2.89Å; T124-N207 PolarHBondContact O-ND2 3.16Å; T124-N207 PolarHBondContact O-OD1 3.09Å; F127-N207 WeakPolarHBondContact CE1-ND2 3.34Å; M167-N207 HydrophobicContact CE-CB 4.24Å; M167-N207 HydrophobicContact SD-CB 3.73Å; E203-N207 PolarHBondContact O-N 2.97Å; E203-N207 PolarHBondContact O-OD1 2.9Å; L204-N207 PolarHBondContact O-N 3.46Å; N207-R211 PolarHBondContact O-NE 2.88Å
208L98.3Very high97.4Very high0 Ų039.8 Ų39.80%019%0.188CC..Hα-helixtrans-70.6-39.5174.9-169.969000112.1M167 I179 Y181 V188 L204 M205 V206 E210 R211 Y212 V215M167-L208 HydrophobicContact CE-CD1 4.47Å; I179-L208 HydrophobicContact CD1-CB 4Å; I179-L208 HydrophobicContact CD1-CD2 4Å; I179-L208 HydrophobicContact CD1-CG 4.43Å; Y181-L208 HydrophobicContact CD1-CD1 4.03Å; Y181-L208 HydrophobicContact CD2-CD1 3.61Å; Y181-L208 HydrophobicContact CE1-CD1 4.02Å; Y181-L208 HydrophobicContact CE2-CD1 3.58Å; Y181-L208 HydrophobicContact CG-CD1 3.82Å; Y181-L208 HydrophobicContact CG-CD2 4.33Å; V188-L208 HydrophobicContact CG2-CD2 3.32Å; L204-L208 PolarHBondContact O-N 3.02Å; M205-L208 PolarHBondContact O-N 2.98Å; V206-L208 PolarHBondContact O-N 3.49Å; L208-E210 PolarHBondContact O-N 3.15Å; L208-R211 WeakPolarHBondContact O-CB 3.37Å; L208-R211 PolarHBondContact O-N 3.12Å; L208-Y212 HydrophobicContact CD1-CD2 3.69Å; L208-Y212 HydrophobicContact CD1-CE2 3.5Å; L208-Y212 VanDerWaalsContact CD1-CE2 3.5Å; L208-Y212 HydrophobicContact CG-CD2 4.05Å; L208-Y212 HydrophobicContact CG-CE2 4.36Å; L208-Y212 PolarHBondContact O-N 2.81Å; L208-V215 HydrophobicContact CD2-CG1 3.64Å; L208-V215 HydrophobicContact CD2-CG2 4.13Å; L208-V215 HydrophobicContact CG-CG1 4.35Å; L208-V215 HydrophobicContact CG-CG2 3.96Å
209S97.6Very high97.3Very high14 Ų1439.2 Ų39.210%0.09819%0.185CC..Hα-helixtrans-61.4-24.8178.5-62.70000113.4N116 A117 M205 V206 R211 F236N116-S209 WeakPolarHBondContact ND2-CA 3.31Å; N116-S209 PolarHBondContact ND2-O 3.08Å; A117-S209 PolarHBondContact N-OG 3.22Å; A117-S209 VanDerWaalsContact N-OG 3.14Å; M205-S209 WeakPolarHBondContact O-CB 3.44Å; M205-S209 PolarHBondContact O-N 3Å; M205-S209 PolarHBondContact O-OG 3.17Å; V206-S209 WeakPolarHBondContact O-CA 3.25Å; V206-S209 WeakPolarHBondContact O-CB 3.26Å; V206-S209 PolarHBondContact O-N 3.08Å; S209-R211 PolarHBondContact O-N 2.92Å; S209-F236 VanDerWaalsContact OG-CZ 3.27Å; S209-F236 WeakPolarHBondContact OG-CZ 3.35Å
210E96.7Very high97.3Very high138 Ų13836.3 Ų36.365%0.64517%0.165SC*.THydrogen-bonded Turntrans-72.5-14176-68.6171.4176.700112.9V206 L208V206-E210 PolarHBondContact O-N 2.83Å; V206-E210 VanDerWaalsContact O-N 3.15Å; L208-E210 PolarHBondContact O-N 3.15Å
211R96.7Very high97.3Very high100 Ų10036 Ų3638%0.37716%0.164SC..THydrogen-bonded Turntrans-109.1-25.7-171-56.4172.3-176.7-159.6-2.5113.9E129 Y181 N207 L208 S209E129-R211 IonicContact OE1-NH1 2.87Å; E129-R211 PolarHBondContact OE1-NH1 2.98Å; E129-R211 IonicContact OE2-CZ 3.15Å; E129-R211 VanDerWaalsContact OE2-CZ 3.22Å; E129-R211 IonicContact OE2-NH1 2.73Å; E129-R211 PolarHBondContact OE2-NH1 3.37Å; E129-R211 IonicContact OE2-NH2 3.71Å; E129-R211 PolarHBondContact OE2-NH2 3.16Å; Y181-R211 PolarHBondContact OH-NH1 3.06Å; Y181-R211 VanDerWaalsContact OH-NH1 3.12Å; N207-R211 PolarHBondContact O-NE 2.88Å; L208-R211 WeakPolarHBondContact O-CB 3.37Å; L208-R211 PolarHBondContact O-N 3.12Å; S209-R211 PolarHBondContact O-N 2.92Å
212Y97.3Very high97.3Very high46 Ų4638.9 Ų38.918%0.1818%0.177CC..  trans-126.8143.8-175.9-60.2-85.4000110.7N116 Y181 K183 L208 D214N116-Y212 PolarHBondContact ND2-O 3.39Å; Y181-Y212 HydrophobicContact CD2-CE2 4.28Å; Y181-Y212 AromaticContact CE2-CE2 3.83Å; Y181-Y212 HydrophobicContact CE2-CE2 3.83Å; Y181-Y212 AromaticContact CE2-CZ 3.99Å; Y181-Y212 WeakPolarHBondContact CE2-OH 3.38Å; K183-Y212 WeakPolarHBondContact O-CE1 3.37Å; K183-Y212 PolarHBondContact O-OH 2.84Å; L208-Y212 HydrophobicContact CD1-CD2 3.69Å; L208-Y212 HydrophobicContact CD1-CE2 3.5Å; L208-Y212 VanDerWaalsContact CD1-CE2 3.5Å; L208-Y212 HydrophobicContact CG-CD2 4.05Å; L208-Y212 HydrophobicContact CG-CE2 4.36Å; L208-Y212 PolarHBondContact O-N 2.81Å; Y212-D214 VanDerWaalsContact C-N 3.35Å; Y212-D214 PolarHBondContact O-N 2.86Å
213Q93.1Very high97.2Very high190 Ų19043.2 Ų43.289%0.88820%0.203SC*.SBendtrans-77.1-16.9-178.3-69.9-171.3-26.600115N116N116-Q213 VanDerWaalsContact OD1-C 3.24Å; N116-Q213 PolarHBondContact OD1-O 3.27Å
214D95.3Very high97.2Very high51 Ų5140.6 Ų40.627%0.27319%0.191SC..SBendtrans-154.886.9179.9178.151.5000108.3G115 Y212 R216G115-D214 PolarHBondContact N-OD1 2.87Å; G115-D214 VanDerWaalsContact N-OD1 3.08Å; Y212-D214 VanDerWaalsContact C-N 3.35Å; Y212-D214 PolarHBondContact O-N 2.86Å; D214-R216 IonicContact OD2-NH1 2.93Å; D214-R216 PolarHBondContact OD2-NH1 3.21Å
215V98.1Very high97.1Very high0 Ų046 Ų460%022%0.216CC..EExtended strand (participates in β ladder)trans-74.5132.7176.1171.20000108.3R114 G115 V188 M205 L208 L217 F236R114-V215 CarbonylContact C-O 3.36Å; R114-V215 VanDerWaalsContact CA-O 3.22Å; R114-V215 WeakPolarHBondContact CA-O 3.28Å; G115-V215 PolarHBondContact N-O 3.43Å; G115-V215 VanDerWaalsContact N-O 3.07Å; G115-V215 WeakPolarHBondContact O-CB 3.49Å; G115-V215 PolarHBondContact O-N 3.05Å; V188-V215 HydrophobicContact CG2-CG1 4.11Å; M205-V215 HydrophobicContact CE-CG1 3.56Å; L208-V215 HydrophobicContact CD2-CG1 3.64Å; L208-V215 HydrophobicContact CD2-CG2 4.13Å; L208-V215 HydrophobicContact CG-CG1 4.35Å; L208-V215 HydrophobicContact CG-CG2 3.96Å; V215-L217 HydrophobicContact CG1-CD1 4.12Å; V215-F236 HydrophobicContact CB-CE1 4Å; V215-F236 HydrophobicContact CG1-CE1 4.02Å
216R97.3Very high97.1Very high71 Ų7150.3 Ų50.327%0.26824%0.239SC..EExtended strand (participates in β ladder)trans-117130.7-178.8-68.5-174-68.6-81.3-3.8111.1R114 Q187 V188 D214R114-R216 HydrophobicContact CB-CG 4.16Å; Q187-R216 HydrophobicContact CG-CB 4.38Å; V188-R216 PolarHBondContact N-O 2.91Å; D214-R216 IonicContact OD2-NH1 2.93Å; D214-R216 PolarHBondContact OD2-NH1 3.21Å
217L96.4Very high97.1Very high0 Ų050 Ų500%024%0.237CC..EExtended strand (participates in β ladder)trans-120.7112.8167.2-9379.8000108.3C112 F113 V188 W191 M205 V215 I220 W227 M231C112-L217 CarbonylContact C-O 3.53Å; C112-L217 WeakPolarHBondContact CA-O 3.19Å; F113-L217 HydrophobicContact CB-CB 4.4Å; F113-L217 PolarHBondContact N-O 3.24Å; F113-L217 PolarHBondContact O-N 3.39Å; F113-L217 VanDerWaalsContact O-O 3.1Å; V188-L217 HydrophobicContact CB-CD1 3.5Å; V188-L217 VanDerWaalsContact CB-CD1 3.5Å; V188-L217 HydrophobicContact CB-CG 3.72Å; V188-L217 HydrophobicContact CG1-CD1 4.13Å; V188-L217 HydrophobicContact CG1-CD2 4.42Å; V188-L217 HydrophobicContact CG1-CG 4.06Å; V188-L217 HydrophobicContact CG2-CD1 3.46Å; V188-L217 VanDerWaalsContact CG2-CD1 3.46Å; V188-L217 HydrophobicContact CG2-CG 4.25Å; W191-L217 HydrophobicContact CD2-CD2 4.11Å; W191-L217 HydrophobicContact CE3-CD2 3.76Å; W191-L217 HydrophobicContact CE3-CG 4.22Å; W191-L217 HydrophobicContact CZ3-CD2 4.08Å; W191-L217 HydrophobicContact CZ3-CG 4.22Å; M205-L217 HydrophobicContact CE-CD1 3.21Å; M205-L217 HydrophobicContact SD-CD1 3.79Å; M205-L217 HydrophobicContact SD-CD2 4.38Å; V215-L217 HydrophobicContact CG1-CD1 4.12Å; L217-I220 HydrophobicContact CB-CD1 4.43Å; L217-I220 HydrophobicContact CD2-CD1 4.14Å; L217-I220 HydrophobicContact CD2-CG1 4.48Å; L217-W227 HydrophobicContact CD2-CZ2 4.11Å; L217-M231 HydrophobicContact CB-CE 4.49Å; L217-M231 HydrophobicContact CD1-CE 4.17Å; L217-M231 HydrophobicContact CD2-CE 4.11Å; L217-M231 HydrophobicContact CD2-SD 4.45Å; L217-M231 HydrophobicContact CG-CE 4.49Å
218H95.2Very high97.1Very high40 Ų4050 Ų5019%0.18524%0.237CC..EExtended strand (participates in β ladder)trans-99.5162.4168.5-56.9169.6000108.5W191 F239W191-H218 WeakPolarHBondContact CH2-O 3.27Å; H218-F239 AromaticContact CD2-CZ 3.96Å; H218-F239 AromaticContact NE2-CZ 3.78Å
219N96Very high97Very high10 Ų1056.8 Ų56.85%0.05327%0.266CS..EExtended strand (participates in β ladder)trans70.133.1167.9-41.4108.8000116.5E87 Y110 S149 N152 N221E87-N219 PolarHBondContact OE1-ND2 3.08Å; E87-N219 PolarHBondContact OE2-ND2 2.85Å; Y110-N219 HydrophobicContact CD1-CB 4Å; Y110-N219 VanDerWaalsContact CD1-O 3.32Å; Y110-N219 WeakPolarHBondContact CD1-O 3.31Å; Y110-N219 HydrophobicContact CD2-CB 4Å; Y110-N219 VanDerWaalsContact CD2-ND2 3.33Å; Y110-N219 WeakPolarHBondContact CD2-ND2 3.3Å; Y110-N219 HydrophobicContact CE1-CB 4.09Å; Y110-N219 WeakPolarHBondContact CE1-O 3.15Å; Y110-N219 HydrophobicContact CE2-CB 4.04Å; Y110-N219 HydrophobicContact CG-CB 3.99Å; S149-N219 VanDerWaalsContact OG-CG 3.28Å; S149-N219 PolarHBondContact OG-OD1 3Å; N152-N219 PolarHBondContact ND2-OD1 2.86Å; N152-N219 VanDerWaalsContact ND2-OD1 3.12Å; N219-N221 PolarHBondContact O-N 2.81Å
220I97.9Very high97.1Very high0 Ų057.4 Ų57.40%027%0.267CS..EExtended strand (participates in β ladder)trans-73.2109.9167.4-55.8179.3000108.8Y110 A111 F113 W191 L217 F222 I228 M231Y110-I220 CarbonylContact C-O 3.49Å; Y110-I220 VanDerWaalsContact CA-O 3.3Å; Y110-I220 WeakPolarHBondContact CA-O 3.17Å; A111-I220 HydrophobicContact CB-CB 4.44Å; A111-I220 PolarHBondContact N-O 2.95Å; A111-I220 PolarHBondContact O-N 2.92Å; F113-I220 HydrophobicContact CD2-CD1 3.57Å; F113-I220 HydrophobicContact CE2-CD1 3.99Å; F113-I220 HydrophobicContact CG-CD1 4.43Å; W191-I220 HydrophobicContact CH2-CG1 3.98Å; W191-I220 HydrophobicContact CZ2-CB 4.21Å; W191-I220 HydrophobicContact CZ2-CG1 3.68Å; L217-I220 HydrophobicContact CB-CD1 4.43Å; L217-I220 HydrophobicContact CD2-CD1 4.14Å; L217-I220 HydrophobicContact CD2-CG1 4.48Å; I220-F222 PolarHBondContact O-N 3.1Å; I220-I228 HydrophobicContact CG2-CD1 4.3Å; I220-I228 HydrophobicContact CG2-CG1 3.66Å; I220-M231 HydrophobicContact CD1-CG 4.04Å
221N97.9Very high97.2Very high18 Ų1850.8 Ų50.810%0.09624%0.237CC..EExtended strand (participates in β ladder)trans-57.3129.8178-170.7-49.1000110Y110 D146 N219 T223 D224Y110-N221 HydrophobicContact CD1-CB 4.31Å; Y110-N221 HydrophobicContact CE1-CB 4.08Å; D146-N221 HydrophobicContact CB-CB 4.08Å; D146-N221 VanDerWaalsContact CG-ND2 3.33Å; D146-N221 PolarHBondContact OD2-ND2 2.86Å; N219-N221 PolarHBondContact O-N 2.81Å; N221-T223 VanDerWaalsContact CG-OG1 3.31Å; N221-T223 PolarHBondContact O-N 3.18Å; N221-T223 WeakPolarHBondContact OD1-CB 3.42Å; N221-T223 WeakPolarHBondContact OD1-CG2 3.47Å; N221-T223 PolarHBondContact OD1-N 2.91Å; N221-T223 PolarHBondContact OD1-OG1 3.02Å; N221-D224 PolarHBondContact O-N 3.26Å
222F97.3Very high97.2Very high62 Ų6250.8 Ų50.827%0.27224%0.241SC..THydrogen-bonded Turntrans-56.7-18.6178.7-96.7-115000113.6E109 A111 I220 D224 Q225 D241E109-F222 HydrophobicContact CB-CB 4.12Å; E109-F222 HydrophobicContact CB-CD2 3.87Å; E109-F222 HydrophobicContact CB-CE2 4.46Å; E109-F222 HydrophobicContact CB-CG 4.01Å; E109-F222 WeakPolarHBondContact O-CD2 3.5Å; E109-F222 PolarHBondContact O-N 3.06Å; A111-F222 HydrophobicContact CB-CD2 4.17Å; A111-F222 HydrophobicContact CB-CE2 3.73Å; A111-F222 HydrophobicContact CB-CZ 4.4Å; A111-F222 VanDerWaalsContact N-CE2 3.32Å; I220-F222 PolarHBondContact O-N 3.1Å; F222-D224 VanDerWaalsContact C-N 3.27Å; F222-D224 PolarHBondContact O-N 3.11Å; F222-Q225 PolarHBondContact O-NE2 2.8Å; F222-D241 HydrophobicContact CE2-CB 4.42Å; F222-D241 WeakPolarHBondContact CE2-OD1 3.39Å; F222-D241 HydrophobicContact CZ-CB 4.43Å; F222-D241 VanDerWaalsContact CZ-OD1 3.26Å; F222-D241 WeakPolarHBondContact CZ-OD1 3.36Å
223T97.5Very high97.3Very high92 Ų9253.1 Ų53.156%0.56425%0.253SS*.THydrogen-bonded Turntrans-70-21.8172.561.10000113.3H145 N221 Q225H145-T223 PolarHBondContact NE2-OG1 3.11Å; H145-T223 VanDerWaalsContact NE2-OG1 3.08Å; N221-T223 VanDerWaalsContact CG-OG1 3.31Å; N221-T223 PolarHBondContact O-N 3.18Å; N221-T223 WeakPolarHBondContact OD1-CB 3.42Å; N221-T223 WeakPolarHBondContact OD1-CG2 3.47Å; N221-T223 PolarHBondContact OD1-N 2.91Å; N221-T223 PolarHBondContact OD1-OG1 3.02Å; T223-Q225 VanDerWaalsContact C-N 3.25Å; T223-Q225 PolarHBondContact O-N 3.18Å; T223-Q225 VanDerWaalsContact O-N 3.1Å
224D97.7Very high97.5Very high4 Ų444.2 Ų44.22%0.02121%0.212CC..  trans-86.960.7175-161.7-10.8000111.5H145 R193 N221 F222 L226 W227 I228H145-D224 HydrophobicContact CB-CB 4.31Å; H145-D224 IonicContact CG-OD2 3.58Å; H145-D224 IonicContact ND1-OD1 2.91Å; H145-D224 IonicContact ND1-OD2 3.59Å; H145-D224 PolarHBondContact NE2-N 3.28Å; R193-D224 IonicContact CZ-OD1 2.98Å; R193-D224 IonicContact CZ-OD2 3.52Å; R193-D224 IonicContact NH1-OD1 2.86Å; R193-D224 IonicContact NH1-OD2 3.86Å; R193-D224 PolarHBondContact NH1-OD2 3.48Å; R193-D224 VanDerWaalsContact NH2-CG 3.34Å; R193-D224 IonicContact NH2-OD1 3.2Å; R193-D224 PolarHBondContact NH2-OD1 3.38Å; R193-D224 IonicContact NH2-OD2 2.66Å; R193-D224 PolarHBondContact NH2-OD2 2.95Å; R193-D224 VanDerWaalsContact NH2-OD2 3.15Å; N221-D224 PolarHBondContact O-N 3.26Å; F222-D224 VanDerWaalsContact C-N 3.27Å; F222-D224 PolarHBondContact O-N 3.11Å; D224-L226 PolarHBondContact O-N 3.45Å; D224-L226 VanDerWaalsContact O-N 3.16Å; D224-W227 HydrophobicContact CB-CB 4.17Å; D224-W227 PolarHBondContact O-N 3.17Å; D224-W227 WeakPolarHBondContact OD1-CB 3.37Å; D224-W227 PolarHBondContact OD1-N 3.04Å; D224-W227 WeakPolarHBondContact OD2-CB 3.41Å; D224-I228 PolarHBondContact O-N 3.02Å; D224-I228 VanDerWaalsContact O-N 3.1Å
225Q97.7Very high97.7Very high113 Ų11343.1 Ų43.153%0.52821%0.213SC..Hα-helixtrans-58.5-28.8179.2-70.7-66.5-54.100112.7F222 T223 K229F222-Q225 PolarHBondContact O-NE2 2.8Å; T223-Q225 VanDerWaalsContact C-N 3.25Å; T223-Q225 PolarHBondContact O-N 3.18Å; T223-Q225 VanDerWaalsContact O-N 3.1Å; Q225-K229 WeakPolarHBondContact O-CB 3.18Å; Q225-K229 PolarHBondContact O-N 3.41Å; Q225-K229 VanDerWaalsContact O-N 3.09Å
226L97.7Very high97.7Very high90 Ų9043.5 Ų43.547%0.47121%0.214SC..Hα-helixtrans-66.9-41.4177.2-175.464.4000111.1I198 D224 K230I198-L226 HydrophobicContact CB-CD2 3.97Å; I198-L226 HydrophobicContact CB-CG 4.31Å; I198-L226 HydrophobicContact CD1-CD2 4.06Å; I198-L226 HydrophobicContact CD1-CG 3.8Å; I198-L226 HydrophobicContact CG1-CD2 4.08Å; I198-L226 HydrophobicContact CG1-CG 3.87Å; I198-L226 HydrophobicContact CG2-CD2 4.23Å; D224-L226 PolarHBondContact O-N 3.45Å; D224-L226 VanDerWaalsContact O-N 3.16Å; L226-K230 WeakPolarHBondContact O-CB 3.47Å; L226-K230 PolarHBondContact O-N 2.9Å; L226-K230 VanDerWaalsContact O-N 3.08Å
227W98.1Very high97.7Very high0 Ų044 Ų440%022%0.223CC..Hα-helixtrans-71.9-42.6177.7-170.5-138.9000113.4W191 I198 L201 M205 L217 D224 K229 K230 M231 L234W191-W227 AromaticContact CD1-CD1 3.76Å; W191-W227 AromaticContact CD1-NE1 3.54Å; W191-W227 AromaticContact CE2-NE1 3.85Å; W191-W227 AromaticContact CG-NE1 3.89Å; W191-W227 AromaticContact NE1-CD1 3.4Å; W191-W227 AromaticContact NE1-NE1 3.47Å; I198-W227 HydrophobicContact CD1-CB 4.32Å; I198-W227 HydrophobicContact CD1-CD2 4.46Å; I198-W227 HydrophobicContact CD1-CE3 3.62Å; I198-W227 HydrophobicContact CD1-CZ3 4.39Å; I198-W227 HydrophobicContact CG1-CE3 4.49Å; L201-W227 HydrophobicContact CB-CH2 4.41Å; L201-W227 HydrophobicContact CB-CZ3 4.25Å; L201-W227 HydrophobicContact CD1-CH2 4.43Å; L201-W227 HydrophobicContact CD1-CZ2 4.45Å; L201-W227 HydrophobicContact CD2-CD2 3.81Å; L201-W227 HydrophobicContact CD2-CE3 3.81Å; L201-W227 HydrophobicContact CD2-CH2 3.91Å; L201-W227 HydrophobicContact CD2-CZ2 3.86Å; L201-W227 HydrophobicContact CD2-CZ3 3.87Å; L201-W227 HydrophobicContact CG-CE3 4.21Å; L201-W227 HydrophobicContact CG-CH2 3.54Å; L201-W227 HydrophobicContact CG-CZ2 3.83Å; L201-W227 HydrophobicContact CG-CZ3 3.73Å; M205-W227 HydrophobicContact CB-CH2 4.44Å; M205-W227 HydrophobicContact CG-CH2 3.49Å; M205-W227 VanDerWaalsContact CG-CH2 3.49Å; M205-W227 HydrophobicContact CG-CZ2 3.71Å; M205-W227 HydrophobicContact SD-CZ2 4.43Å; L217-W227 HydrophobicContact CD2-CZ2 4.11Å; D224-W227 HydrophobicContact CB-CB 4.17Å; D224-W227 PolarHBondContact O-N 3.17Å; D224-W227 WeakPolarHBondContact OD1-CB 3.37Å; D224-W227 PolarHBondContact OD1-N 3.04Å; D224-W227 WeakPolarHBondContact OD2-CB 3.41Å; W227-K229 VanDerWaalsContact C-N 3.33Å; W227-K229 PolarHBondContact O-N 3.34Å; W227-K230 HydrophobicContact CE3-CB 3.78Å; W227-K230 HydrophobicContact CE3-CG 4Å; W227-K230 HydrophobicContact CZ3-CB 4.01Å; W227-K230 HydrophobicContact CZ3-CG 3.72Å; W227-K230 PolarHBondContact O-N 2.62Å; W227-K230 VanDerWaalsContact O-N 3.07Å; W227-M231 HydrophobicContact CD2-CG 4.14Å; W227-M231 HydrophobicContact CE3-CG 4.49Å; W227-M231 HydrophobicContact CH2-CG 4.38Å; W227-M231 HydrophobicContact CH2-SD 3.6Å; W227-M231 HydrophobicContact CZ2-CG 4.06Å; W227-M231 HydrophobicContact CZ2-SD 3.39Å; W227-M231 WeakPolarHBondContact CZ2-SD 3.34Å; W227-M231 HydrophobicContact CZ3-SD 4.28Å; W227-M231 WeakPolarHBondContact O-CG 3.44Å; W227-M231 PolarHBondContact O-N 2.95Å; W227-L234 HydrophobicContact CH2-CD1 4.5Å
228I98.4Very high97.8Very high12 Ų1247.1 Ų47.16%0.06224%0.237CC..Hα-helixtrans-54.3-51.9174.5-67.7173.4000110A111 F113 I220 D224 K230 M231 E232A111-I228 HydrophobicContact CB-CD1 4.02Å; A111-I228 HydrophobicContact CB-CG1 4.25Å; F113-I228 HydrophobicContact CE2-CG1 4.44Å; F113-I228 HydrophobicContact CE2-CG2 4.25Å; F113-I228 HydrophobicContact CZ-CG2 3.95Å; I220-I228 HydrophobicContact CG2-CD1 4.3Å; I220-I228 HydrophobicContact CG2-CG1 3.66Å; D224-I228 PolarHBondContact O-N 3.02Å; D224-I228 VanDerWaalsContact O-N 3.1Å; I228-K230 VanDerWaalsContact C-N 3.29Å; I228-K230 PolarHBondContact O-N 3.13Å; I228-M231 WeakPolarHBondContact O-CB 3.38Å; I228-M231 PolarHBondContact O-N 3.21Å; I228-E232 PolarHBondContact O-N 3.11Å
229K98.2Very high97.8Very high141 Ų14149 Ų4961%0.61325%0.245SC*.Hα-helixtrans-60-38.9177.5-176.1179.6178.3-177.20112.4Q225 W227 E232 E233Q225-K229 WeakPolarHBondContact O-CB 3.18Å; Q225-K229 PolarHBondContact O-N 3.41Å; Q225-K229 VanDerWaalsContact O-N 3.09Å; W227-K229 VanDerWaalsContact C-N 3.33Å; W227-K229 PolarHBondContact O-N 3.34Å; K229-E232 PolarHBondContact O-N 3.49Å; K229-E233 WeakPolarHBondContact O-CB 3.38Å; K229-E233 PolarHBondContact O-N 3Å
230K98.3Very high97.9Very high27 Ų2749.7 Ų49.712%0.11725%0.25CC..Hα-helixtrans-66.8-37.5178.9-173.661.6179.7179.90111.9I198 L226 W227 I228 E233 L234I198-K230 HydrophobicContact CD1-CB 4.22Å; I198-K230 HydrophobicContact CG1-CB 4.01Å; I198-K230 HydrophobicContact CG1-CG 4.04Å; L226-K230 WeakPolarHBondContact O-CB 3.47Å; L226-K230 PolarHBondContact O-N 2.9Å; L226-K230 VanDerWaalsContact O-N 3.08Å; W227-K230 HydrophobicContact CE3-CB 3.78Å; W227-K230 HydrophobicContact CE3-CG 4Å; W227-K230 HydrophobicContact CZ3-CB 4.01Å; W227-K230 HydrophobicContact CZ3-CG 3.72Å; W227-K230 PolarHBondContact O-N 2.62Å; W227-K230 VanDerWaalsContact O-N 3.07Å; I228-K230 VanDerWaalsContact C-N 3.29Å; I228-K230 PolarHBondContact O-N 3.13Å; K230-E233 IonicContact NZ-OE1 2.67Å; K230-E233 PolarHBondContact NZ-OE1 3.39Å; K230-E233 IonicContact NZ-OE2 3.22Å; K230-E233 WeakPolarHBondContact O-CB 3.46Å; K230-E233 PolarHBondContact O-N 2.78Å; K230-L234 HydrophobicContact CG-CD1 4.1Å; K230-L234 HydrophobicContact CG-CG 4.5Å; K230-L234 WeakPolarHBondContact O-CB 3.4Å; K230-L234 WeakPolarHBondContact O-CD1 3.22Å; K230-L234 VanDerWaalsContact O-CG 3.22Å; K230-L234 WeakPolarHBondContact O-CG 3.32Å; K230-L234 PolarHBondContact O-N 3.26Å
231M98.4Very high97.9Very high0 Ų051.9 Ų51.90%026%0.261CS..Hα-helixtrans-62.7-44.4175.5-70.8-62.1-72.600111.8F113 M205 L217 I220 W227 I228 L234 G235 F236F113-M231 HydrophobicContact CB-CE 3.86Å; F113-M231 HydrophobicContact CD1-CB 3.73Å; F113-M231 HydrophobicContact CD2-CB 4.41Å; F113-M231 HydrophobicContact CE1-CB 3.67Å; F113-M231 HydrophobicContact CE2-CB 4.35Å; F113-M231 HydrophobicContact CG-CB 4.09Å; F113-M231 HydrophobicContact CG-CE 4.26Å; F113-M231 HydrophobicContact CG-CG 4.5Å; F113-M231 HydrophobicContact CZ-CB 3.99Å; M205-M231 HydrophobicContact CE-CE 4.21Å; M205-M231 HydrophobicContact CG-SD 4.3Å; L217-M231 HydrophobicContact CB-CE 4.49Å; L217-M231 HydrophobicContact CD1-CE 4.17Å; L217-M231 HydrophobicContact CD2-CE 4.11Å; L217-M231 HydrophobicContact CD2-SD 4.45Å; L217-M231 HydrophobicContact CG-CE 4.49Å; I220-M231 HydrophobicContact CD1-CG 4.04Å; W227-M231 HydrophobicContact CD2-CG 4.14Å; W227-M231 HydrophobicContact CE3-CG 4.49Å; W227-M231 HydrophobicContact CH2-CG 4.38Å; W227-M231 HydrophobicContact CH2-SD 3.6Å; W227-M231 HydrophobicContact CZ2-CG 4.06Å; W227-M231 HydrophobicContact CZ2-SD 3.39Å; W227-M231 WeakPolarHBondContact CZ2-SD 3.34Å; W227-M231 HydrophobicContact CZ3-SD 4.28Å; W227-M231 WeakPolarHBondContact O-CG 3.44Å; W227-M231 PolarHBondContact O-N 2.95Å; I228-M231 WeakPolarHBondContact O-CB 3.38Å; I228-M231 PolarHBondContact O-N 3.21Å; M231-L234 PolarHBondContact O-N 2.83Å; M231-L234 HydrophobicContact SD-CD1 4.37Å; M231-G235 PolarHBondContact O-N 2.73Å; M231-F236 HydrophobicContact CB-CB 4.38Å; M231-F236 HydrophobicContact CE-CB 3.73Å; M231-F236 HydrophobicContact CE-CD1 3.58Å; M231-F236 HydrophobicContact CE-CD2 3.62Å; M231-F236 HydrophobicContact CE-CE1 4.02Å; M231-F236 HydrophobicContact CE-CE2 4.07Å; M231-F236 HydrophobicContact CE-CG 3.35Å; M231-F236 HydrophobicContact CE-CZ 4.25Å; M231-F236 PolarHBondContact O-N 3.37Å; M231-F236 HydrophobicContact SD-CD2 4.12Å; M231-F236 HydrophobicContact SD-CE2 4.44Å; M231-F236 HydrophobicContact SD-CG 4.41Å
232E98Very high98Very high99 Ų9952.3 Ų52.346%0.46326%0.263SS..Hα-helixtrans-62.9-41.8174.3-63.8174157.400112.2F113 I228 K229 L234 G235F113-E232 HydrophobicContact CE1-CG 3.92Å; F113-E232 HydrophobicContact CZ-CG 4.16Å; I228-E232 PolarHBondContact O-N 3.11Å; K229-E232 PolarHBondContact O-N 3.49Å; E232-L234 PolarHBondContact O-N 3.3Å; E232-G235 PolarHBondContact O-N 2.87Å; E232-G235 VanDerWaalsContact O-N 3.11Å
233E98.2Very high98Very high95 Ų9550.5 Ų50.544%0.44426%0.255SS..Hα-helixtrans-58.6-47.9175.4-175.1-161.8130.400110.8K118 M121 K229 K230 G235K118-E233 PolarHBondContact NZ-O 3.38Å; M121-E233 HydrophobicContact CE-CG 4.16Å; K229-E233 WeakPolarHBondContact O-CB 3.38Å; K229-E233 PolarHBondContact O-N 3Å; K230-E233 IonicContact NZ-OE1 2.67Å; K230-E233 PolarHBondContact NZ-OE1 3.39Å; K230-E233 IonicContact NZ-OE2 3.22Å; K230-E233 WeakPolarHBondContact O-CB 3.46Å; K230-E233 PolarHBondContact O-N 2.78Å; E233-G235 PolarHBondContact O-N 3.04Å
234L98.4Very high98Very high3 Ų347.1 Ų47.12%0.01623%0.233CC..Hα-helixtrans-59.8-30.1175.6-72.3164.4000112.3A117 K118 M121 M205 V206 W227 K230 M231 E232 F236A117-L234 CarbonylContact C-O 3.55Å; A117-L234 VanDerWaalsContact CA-O 3.32Å; A117-L234 WeakPolarHBondContact CA-O 3.43Å; K118-L234 WeakPolarHBondContact CG-O 3.39Å; K118-L234 PolarHBondContact N-O 3.15Å; M121-L234 HydrophobicContact CB-CD2 4.33Å; M121-L234 HydrophobicContact CE-CD2 3.62Å; M121-L234 HydrophobicContact CE-CG 4.18Å; M121-L234 HydrophobicContact CG-CD2 4.15Å; M205-L234 HydrophobicContact CB-CD1 4.28Å; V206-L234 HydrophobicContact CG2-CD2 3.6Å; W227-L234 HydrophobicContact CH2-CD1 4.5Å; K230-L234 HydrophobicContact CG-CD1 4.1Å; K230-L234 HydrophobicContact CG-CG 4.5Å; K230-L234 WeakPolarHBondContact O-CB 3.4Å; K230-L234 WeakPolarHBondContact O-CD1 3.22Å; K230-L234 VanDerWaalsContact O-CG 3.22Å; K230-L234 WeakPolarHBondContact O-CG 3.32Å; K230-L234 PolarHBondContact O-N 3.26Å; M231-L234 PolarHBondContact O-N 2.83Å; M231-L234 HydrophobicContact SD-CD1 4.37Å; E232-L234 PolarHBondContact O-N 3.3Å; L234-F236 HydrophobicContact CB-CD2 3.81Å; L234-F236 HydrophobicContact CB-CE2 4.05Å; L234-F236 HydrophobicContact CD1-CE2 4.41Å
235G98Very high98Very high28 Ų2846.9 Ų46.929%0.28923%0.232SC..THydrogen-bonded Turntrans107.312.8177.400000115.1M231 E232 E233M231-G235 PolarHBondContact O-N 2.73Å; E232-G235 PolarHBondContact O-N 2.87Å; E232-G235 VanDerWaalsContact O-N 3.11Å; E233-G235 PolarHBondContact O-N 3.04Å
236F98.3Very high98Very high8 Ų844.2 Ų44.24%0.03522%0.218CC..  trans-69.2144.2171.2-72.1-98.8000110.7F113 G115 A117 M205 S209 V215 M231 L234F113-F236 HydrophobicContact CB-CB 4.28Å; F113-F236 HydrophobicContact CD1-CB 3.8Å; F113-F236 HydrophobicContact CG-CB 4.48Å; G115-F236 VanDerWaalsContact O-CE1 3.3Å; G115-F236 WeakPolarHBondContact O-CE1 3.47Å; A117-F236 HydrophobicContact CB-CE2 4.24Å; M205-F236 HydrophobicContact CB-CE2 4.24Å; M205-F236 HydrophobicContact CB-CZ 4.28Å; M205-F236 HydrophobicContact CE-CE1 3.81Å; M205-F236 HydrophobicContact CE-CE2 4.27Å; M205-F236 HydrophobicContact CE-CZ 3.5Å; S209-F236 VanDerWaalsContact OG-CZ 3.27Å; S209-F236 WeakPolarHBondContact OG-CZ 3.35Å; V215-F236 HydrophobicContact CB-CE1 4Å; V215-F236 HydrophobicContact CG1-CE1 4.02Å; M231-F236 HydrophobicContact CB-CB 4.38Å; M231-F236 HydrophobicContact CE-CB 3.73Å; M231-F236 HydrophobicContact CE-CD1 3.58Å; M231-F236 HydrophobicContact CE-CD2 3.62Å; M231-F236 HydrophobicContact CE-CE1 4.02Å; M231-F236 HydrophobicContact CE-CE2 4.07Å; M231-F236 HydrophobicContact CE-CG 3.35Å; M231-F236 HydrophobicContact CE-CZ 4.25Å; M231-F236 PolarHBondContact O-N 3.37Å; M231-F236 HydrophobicContact SD-CD2 4.12Å; M231-F236 HydrophobicContact SD-CE2 4.44Å; M231-F236 HydrophobicContact SD-CG 4.41Å; L234-F236 HydrophobicContact CB-CD2 3.81Å; L234-F236 HydrophobicContact CB-CE2 4.05Å; L234-F236 HydrophobicContact CD1-CE2 4.41Å
237D97.9Very high97.9Very high83 Ų8340.8 Ų40.844%0.44420%0.2SC..EExtended strand (participates in β ladder)trans-86.4120180-179.539.4000110.1F113 R114 F239F113-D237 CarbonylContact C-O 3.58Å; F113-D237 VanDerWaalsContact CA-O 3.25Å; F113-D237 WeakPolarHBondContact CA-O 3.44Å; R114-D237 HydrophobicContact CG-CB 4.3Å; R114-D237 PolarHBondContact N-O 3.46Å; R114-D237 IonicContact NE-OD2 3.61Å; R114-D237 PolarHBondContact O-N 3.01Å; D237-F239 PolarHBondContact O-N 3.1Å
238H98Very high97.7Very high64 Ų6446.6 Ų46.630%0.29623%0.231SC..EExtended strand (participates in β ladder)trans-76.798.8169-176.1-177.1000108.6C112 F113 C240 D241C112-H238 PolarHBondContact O-CD2 2.74Å; F113-H238 HydrophobicContact CD1-CB 4.12Å; F113-H238 HydrophobicContact CE1-CB 3.62Å; F113-H238 HydrophobicContact CE2-CB 4.45Å; F113-H238 HydrophobicContact CZ-CB 3.81Å; H238-C240 PolarHBondContact CD2-O 3.07Å; H238-C240 PolarHBondContact NE2-O 3.08Å; H238-D241 IonicContact CD2-OD1 3.66Å; H238-D241 IonicContact CE1-OD1 2.74Å; H238-D241 PolarHBondContact CE1-OD1 3.4Å; H238-D241 IonicContact NE2-OD1 3.57Å; H238-D241 PolarHBondContact NE2-OD1 3.09Å
239F96.8Very high97.4Very high81 Ų8148.1 Ų48.136%0.35524%0.242SC..EExtended strand (participates in β ladder)trans-98.4-25.8-167.275.8-88.1000114.1C112 R114 H218 D237C112-F239 HydrophobicContact CB-CD1 4.11Å; C112-F239 HydrophobicContact CB-CE1 3.43Å; C112-F239 VanDerWaalsContact CB-CE1 3.43Å; C112-F239 HydrophobicContact CB-CE2 4.36Å; C112-F239 HydrophobicContact CB-CZ 3.57Å; C112-F239 WeakPolarHBondContact O-CD1 3.49Å; C112-F239 PolarHBondContact O-N 3.36Å; R114-F239 HydrophobicContact CB-CD1 3.89Å; R114-F239 HydrophobicContact CB-CE1 4.11Å; R114-F239 HydrophobicContact CG-CB 4.21Å; R114-F239 HydrophobicContact CG-CD1 3.7Å; R114-F239 HydrophobicContact CG-CE1 4.38Å; R114-F239 HydrophobicContact CG-CG 4.14Å; H218-F239 AromaticContact CD2-CZ 3.96Å; H218-F239 AromaticContact NE2-CZ 3.78Å; D237-F239 PolarHBondContact O-N 3.1Å
240C97.4Very high97.4Very high23 Ų2343.5 Ų43.516%0.15522%0.224CC..EExtended strand (participates in β ladder)trans-160.316717274.80000112.7I89 C112 H238I89-C240 HydrophobicContact CG2-CB 4.41Å; C112-C240 WeakPolarHBondContact CB-O 3.34Å; C112-C240 PolarHBondContact N-O 3.12Å; H238-C240 PolarHBondContact CD2-O 3.07Å; H238-C240 PolarHBondContact NE2-O 3.08Å
241D98.3Very high97.3Very high46 Ų4644.4 Ų44.425%0.24623%0.229CC..EExtended strand (participates in β ladder)trans-113.1148.7168.5-62-42000110.5I89 Q90 Y110 F222 H238I89-D241 CarbonylContact C-O 3.54Å; I89-D241 WeakPolarHBondContact CA-O 3.13Å; Q90-D241 HydrophobicContact CB-CB 4.24Å; Q90-D241 VanDerWaalsContact CD-CB 3.49Å; Q90-D241 HydrophobicContact CG-CB 3.69Å; Q90-D241 PolarHBondContact N-O 3.32Å; Y110-D241 CarbonylContact O-C 3.55Å; Y110-D241 VanDerWaalsContact O-CA 3.27Å; Y110-D241 WeakPolarHBondContact O-CA 3.26Å; F222-D241 HydrophobicContact CE2-CB 4.42Å; F222-D241 WeakPolarHBondContact CE2-OD1 3.39Å; F222-D241 HydrophobicContact CZ-CB 4.43Å; F222-D241 VanDerWaalsContact CZ-OD1 3.26Å; F222-D241 WeakPolarHBondContact CZ-OD1 3.36Å; H238-D241 IonicContact CD2-OD1 3.66Å; H238-D241 IonicContact CE1-OD1 2.74Å; H238-D241 PolarHBondContact CE1-OD1 3.4Å; H238-D241 IonicContact NE2-OD1 3.57Å; H238-D241 PolarHBondContact NE2-OD1 3.09Å
242Q98.3Very high97.3Very high27 Ų2746.8 Ų46.813%0.12624%0.242CC..EExtended strand (participates in β ladder)trans-126.1154.8174.4-64.1176.8-57.200111.3V88 I89 Q90 Y110 C112V88-Q242 CarbonylContact O-C 3.54Å; V88-Q242 WeakPolarHBondContact O-CA 3.29Å; I89-Q242 HydrophobicContact CG1-CG 4.24Å; Q90-Q242 PolarHBondContact NE2-O 3.06Å; Y110-Q242 PolarHBondContact N-O 2.86Å; Y110-Q242 PolarHBondContact O-N 3.1Å; C112-Q242 PolarHBondContact SG-OE1 3.35Å
243F98.4Very high97.2Very high25 Ų2543.8 Ų43.811%0.1123%0.229CC..EExtended strand (participates in β ladder)trans-100.8135.8160.4-63.9-51.9000108.6E87 V88 Q90 V96 I106 K108 E109 M245E87-F243 CarbonylContact C-O 3.54Å; E87-F243 VanDerWaalsContact CA-O 3.31Å; E87-F243 WeakPolarHBondContact CA-O 3.28Å; V88-F243 HydrophobicContact CG1-CB 3.91Å; V88-F243 HydrophobicContact CG1-CD2 4.32Å; V88-F243 PolarHBondContact N-O 2.71Å; V88-F243 PolarHBondContact O-N 3.16Å; Q90-F243 HydrophobicContact CB-CD2 4.28Å; Q90-F243 HydrophobicContact CB-CE2 3.81Å; Q90-F243 HydrophobicContact CB-CZ 4.02Å; Q90-F243 HydrophobicContact CG-CD1 3.9Å; Q90-F243 HydrophobicContact CG-CD2 3.8Å; Q90-F243 HydrophobicContact CG-CE1 3.71Å; Q90-F243 HydrophobicContact CG-CE2 3.6Å; Q90-F243 HydrophobicContact CG-CG 3.95Å; Q90-F243 HydrophobicContact CG-CZ 3.54Å; Q90-F243 VanDerWaalsContact NE2-CE1 3.25Å; V96-F243 HydrophobicContact CG1-CD2 4.39Å; V96-F243 HydrophobicContact CG1-CE2 4.4Å; V96-F243 HydrophobicContact CG2-CD2 4.05Å; V96-F243 HydrophobicContact CG2-CE2 4.32Å; I106-F243 HydrophobicContact CD1-CB 4.44Å; I106-F243 HydrophobicContact CD1-CD1 3.8Å; I106-F243 HydrophobicContact CD1-CD2 3.73Å; I106-F243 HydrophobicContact CD1-CE1 3.89Å; I106-F243 HydrophobicContact CD1-CE2 3.82Å; I106-F243 HydrophobicContact CD1-CG 3.73Å; I106-F243 HydrophobicContact CD1-CZ 3.91Å; I106-F243 HydrophobicContact CG1-CB 4.29Å; I106-F243 HydrophobicContact CG1-CD1 4.35Å; I106-F243 HydrophobicContact CG1-CD2 4.4Å; I106-F243 HydrophobicContact CG1-CG 4.11Å; I106-F243 HydrophobicContact CG2-CB 4.11Å; I106-F243 HydrophobicContact CG2-CD1 3.57Å; I106-F243 HydrophobicContact CG2-CE1 4.24Å; I106-F243 HydrophobicContact CG2-CG 4.01Å; K108-F243 WeakPolarHBondContact O-CA 3.49Å; E109-F243 HydrophobicContact CG-CD1 3.86Å; E109-F243 HydrophobicContact CG-CE1 3.82Å; F243-M245 HydrophobicContact CB-CG 3.99Å
244E98Very high97.2Very high20 Ų2040.6 Ų40.69%0.09322%0.216CC..EExtended strand (participates in β ladder)trans-85.7129.3154.2-164.3174.3165.500107.8L86 E87 I107 K108 Y110L86-E244 WeakPolarHBondContact O-CA 3.34Å; E87-E244 HydrophobicContact CG-CG 4.46Å; I107-E244 HydrophobicContact CD1-CG 4.01Å; I107-E244 HydrophobicContact CG1-CB 4.03Å; I107-E244 HydrophobicContact CG1-CG 4.02Å; I107-E244 WeakPolarHBondContact CG1-O 3.44Å; I107-E244 PolarHBondContact N-O 2.92Å; K108-E244 HydrophobicContact CB-CB 3.99Å; K108-E244 WeakPolarHBondContact CD-OE2 3.27Å; K108-E244 PolarHBondContact N-O 3.49Å; K108-E244 PolarHBondContact O-N 2.89Å; Y110-E244 HydrophobicContact CD2-CB 4.21Å; Y110-E244 HydrophobicContact CE2-CB 3.64Å; Y110-E244 HydrophobicContact CE2-CG 4.27Å; Y110-E244 WeakPolarHBondContact CE2-OE2 3.41Å; Y110-E244 PolarHBondContact OH-OE2 2.84Å
245M97.9Very high97.1Very high0 Ų043.1 Ų43.10%023%0.229CC..EExtended strand (participates in β ladder)trans-123142.7179-54.5-173.66700110.6G85 L86 V88 Y99 R100 L104 E105 I106 F243G85-M245 CarbonylContact C-O 3.1Å; G85-M245 VanDerWaalsContact CA-O 3.26Å; G85-M245 WeakPolarHBondContact CA-O 3.23Å; L86-M245 HydrophobicContact CD1-CB 3.95Å; L86-M245 HydrophobicContact CD1-CG 4.15Å; L86-M245 HydrophobicContact CD1-SD 4.24Å; L86-M245 HydrophobicContact CG-CB 4.21Å; L86-M245 PolarHBondContact N-O 2.81Å; L86-M245 PolarHBondContact O-N 3.34Å; V88-M245 HydrophobicContact CG1-CG 4.14Å; V88-M245 HydrophobicContact CG1-SD 3.62Å; Y99-M245 HydrophobicContact CD2-SD 4.02Å; Y99-M245 HydrophobicContact CG-SD 4.46Å; R100-M245 HydrophobicContact CG-CE 3.8Å; L104-M245 HydrophobicContact CB-CB 4.02Å; L104-M245 HydrophobicContact CB-CE 3.85Å; L104-M245 HydrophobicContact CD2-CB 3.94Å; L104-M245 VanDerWaalsContact O-CE 3.24Å; L104-M245 WeakPolarHBondContact O-CE 3.44Å; E105-M245 CarbonylContact O-C 3.54Å; E105-M245 WeakPolarHBondContact O-CA 3.37Å; E105-M245 WeakPolarHBondContact O-CB 3.44Å; I106-M245 HydrophobicContact CG1-CE 4.01Å; I106-M245 HydrophobicContact CG1-CG 4.11Å; I106-M245 HydrophobicContact CG1-SD 4.34Å; F243-M245 HydrophobicContact CB-CG 3.99Å
246K96.7Very high97Very high57 Ų5744.1 Ų44.125%0.24823%0.225CC..EExtended strand (participates in β ladder)trans-137148.6-179.2167.9178.1162.4161.90110.7Y83 Y84 L104 E105 I107Y83-K246 VanDerWaalsContact CB-CE 3.4Å; Y83-K246 HydrophobicContact CD1-CD 4.46Å; Y83-K246 HydrophobicContact CD2-CD 3.55Å; Y83-K246 HydrophobicContact CD2-CG 3.81Å; Y83-K246 HydrophobicContact CE2-CD 3.97Å; Y83-K246 HydrophobicContact CG-CD 3.82Å; Y83-K246 HydrophobicContact CG-CG 4.23Å; Y83-K246 VanDerWaalsContact CG-NZ 3.34Å; Y84-K246 CarbonylContact O-C 3.58Å; Y84-K246 VanDerWaalsContact O-CA 3.31Å; Y84-K246 WeakPolarHBondContact O-CA 3.2Å; L104-K246 WeakPolarHBondContact CA-O 3.44Å; E105-K246 PolarHBondContact N-O 2.65Å; E105-K246 PolarHBondContact O-N 2.97Å; I107-K246 HydrophobicContact CD1-CB 3.8Å; I107-K246 HydrophobicContact CD1-CD 4.45Å; I107-K246 HydrophobicContact CG1-CB 4.3Å; I107-K246 HydrophobicContact CG2-CB 4.01Å
247M95.9Very high96.9Very high17 Ų1746.9 Ų46.98%0.08424%0.24CC..EExtended strand (participates in β ladder)trans-139.6155159.864.8-165.8177.200110.4M69 L73 Y83 Y84 G103 L104M69-M247 HydrophobicContact CG-CE 4.48Å; M69-M247 HydrophobicContact SD-CE 3.95Å; L73-M247 HydrophobicContact CD1-CE 3.44Å; L73-M247 VanDerWaalsContact CD1-CE 3.44Å; L73-M247 HydrophobicContact CD2-CE 3.35Å; L73-M247 HydrophobicContact CG-CE 3.87Å; Y83-M247 WeakPolarHBondContact CA-O 3.09Å; Y83-M247 VanDerWaalsContact CB-O 3.3Å; Y83-M247 WeakPolarHBondContact CB-O 3.23Å; Y84-M247 HydrophobicContact CD1-CE 4Å; Y84-M247 HydrophobicContact CG-CE 4.2Å; Y84-M247 PolarHBondContact N-O 2.88Å; Y84-M247 PolarHBondContact O-N 3.29Å; G103-M247 WeakPolarHBondContact O-CB 3.36Å; L104-M247 HydrophobicContact CD1-CE 3.86Å; L104-M247 HydrophobicContact CD1-CG 4.4Å; L104-M247 HydrophobicContact CD1-SD 3.43Å; L104-M247 WeakPolarHBondContact CD1-SD 3.39Å; L104-M247 HydrophobicContact CG-CB 4.15Å; L104-M247 HydrophobicContact CG-CE 4.29Å; L104-M247 HydrophobicContact CG-CG 3.92Å; L104-M247 HydrophobicContact CG-SD 3.59Å; L104-M247 VanDerWaalsContact CG-SD 3.59Å
248D94.8Very high96.8Very high122 Ų12243.9 Ų43.965%0.65222%0.223SC*.EExtended strand (participates in β ladder)trans-70146.7171.9-59.7-27.3000110.1
249C91.4Very high96.7Very high45 Ų4542.1 Ų42.130%0.30422%0.216SC..  trans-83.50174.8-75.60000110.3K77 F81 A82 Y83K77-C249 WeakPolarHBondContact CD-OXT 3.42Å; K77-C249 WeakPolarHBondContact CE-OXT 3.25Å; K77-C249 WeakPolarHBondContact CG-OXT 3.45Å; F81-C249 HydrophobicContact CB-CB 4.33Å; F81-C249 VanDerWaalsContact O-CB 3.22Å; F81-C249 WeakPolarHBondContact O-CB 3.49Å; A82-C249 PolarHBondContact O-N 2.82Å; Y83-C249 VanDerWaalsContact C-SG 3.5Å

Retrieved 249 of 249 residues in 2184 ms (Link to these results)

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