A0A077Z2T3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z2T3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 185 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
1M46.3Very low38.5Very low206 Ų206131 Ų131100%1.01567%0.67SS**  0-43.80-154.9161.8158.800111.6V3 R4 L5M1-V3 PolarHBondContact O-N 3.4Å; M1-R4 PolarHBondContact O-N 3.17Å; M1-R4 VanDerWaalsContact O-N 3.1Å; M1-L5 PolarHBondContact O-N 3.03Å
2Q35.2Very low39.3Very low145 Ų145123.7 Ų123.768%0.67863%0.63SS**Hα-helixtrans-53.5-44.8176.1-152.1162.7-0.500114.5R4 L5 E6Q2-R4 PolarHBondContact O-N 3.27Å; Q2-R4 VanDerWaalsContact O-N 3.15Å; Q2-L5 WeakPolarHBondContact O-CB 3.27Å; Q2-L5 PolarHBondContact O-N 2.73Å; Q2-E6 PolarHBondContact O-N 3.01Å
3V36.3Very low40.2Very low102 Ų102121.5 Ų121.562%0.61864%0.642SS**Hα-helixtrans-61.1-26.8177.7-173.30000113.4M1 K7M1-V3 PolarHBondContact O-N 3.4Å; V3-K7 PolarHBondContact O-N 3.42Å
4R34Very low41.2Very low207 Ų207128.3 Ų128.378%0.78165%0.654SS**Hα-helixtrans-82.9-22.6178.6-140.3179.6-169.6-178.83112.1M1 Q2 K8M1-R4 PolarHBondContact O-N 3.17Å; M1-R4 VanDerWaalsContact O-N 3.1Å; Q2-R4 PolarHBondContact O-N 3.27Å; Q2-R4 VanDerWaalsContact O-N 3.15Å; R4-K8 WeakPolarHBondContact O-CG 3.2Å
5L35.2Very low42.3Very low102 Ų102121 Ų12153%0.53462%0.62SS.*Hα-helixtrans-81.9-42.2174.3-72.2162.2000110.8M1 Q2 K7 K8 A9M1-L5 PolarHBondContact O-N 3.03Å; Q2-L5 WeakPolarHBondContact O-CB 3.27Å; Q2-L5 PolarHBondContact O-N 2.73Å; L5-K7 PolarHBondContact O-N 2.73Å; L5-K8 WeakPolarHBondContact O-CB 3.5Å; L5-K8 PolarHBondContact O-N 2.88Å; L5-A9 PolarHBondContact O-N 3.07Å
6E32.1Very low43.4Very low126 Ų126116.3 Ų116.359%0.58960%0.599SS**Hα-helixtrans-63.4-41.1179.1-71.2174.7173.900112.5Q2 K8 A9 G10Q2-E6 PolarHBondContact O-N 3.01Å; E6-K8 VanDerWaalsContact C-N 3.25Å; E6-K8 PolarHBondContact O-N 3.44Å; E6-A9 PolarHBondContact O-N 2.68Å; E6-G10 PolarHBondContact O-N 2.83Å
7K36.5Very low44.3Very low163 Ų163115.9 Ų115.971%0.70961%0.606SS**Hα-helixtrans-63-30.3172.8-81-171.7174.7-175.60113V3 L5V3-K7 PolarHBondContact O-N 3.42Å; L5-K7 PolarHBondContact O-N 2.73Å
8K41.4Very low45.5Very low146 Ų146117.5 Ų117.564%0.63561%0.607SS**Hα-helixtrans-77.3-36.4177.7-79.2-175.2174.7-170.30112.8R4 L5 E6 G10 D11 F12R4-K8 WeakPolarHBondContact O-CG 3.2Å; L5-K8 WeakPolarHBondContact O-CB 3.5Å; L5-K8 PolarHBondContact O-N 2.88Å; E6-K8 VanDerWaalsContact C-N 3.25Å; E6-K8 PolarHBondContact O-N 3.44Å; K8-G10 PolarHBondContact O-N 2.8Å; K8-D11 PolarHBondContact O-N 3.42Å; K8-F12 PolarHBondContact O-N 3.32Å; K8-F12 VanDerWaalsContact O-N 3.12Å
9A39.1Very low47.1Very low71 Ų71111.3 Ų111.359%0.58758%0.575SS**Hα-helixtrans-64.2-39.7179.700000112.4L5 E6 F12L5-A9 PolarHBondContact O-N 3.07Å; E6-A9 PolarHBondContact O-N 2.68Å; A9-F12 WeakPolarHBondContact O-CB 3.29Å; A9-F12 PolarHBondContact O-N 3.04Å
10G38.8Very low49Very low60 Ų60111.5 Ų111.562%0.61957%0.571SS**Hα-helixtrans-69.5-37.1178.300000114.3E6 K8 F12E6-G10 PolarHBondContact O-N 2.83Å; K8-G10 PolarHBondContact O-N 2.8Å; G10-F12 VanDerWaalsContact C-N 3.31Å
11D48.8Very low51Low113 Ų113109.2 Ų109.260%0.60456%0.556SS**Hα-helixtrans-72.4-25.4175-88.1-17.4000112.2K8 A13 R14 W104K8-D11 PolarHBondContact O-N 3.42Å; D11-A13 PolarHBondContact O-N 3.44Å; D11-R14 PolarHBondContact O-N 2.84Å; D11-W104 HydrophobicContact CB-CH2 4.31Å; D11-W104 VanDerWaalsContact O-CZ3 3.27Å; D11-W104 WeakPolarHBondContact O-CZ3 3.42Å
12F47.6Very low53.2Low43 Ų43101 Ų10119%0.18952%0.519CS..Hα-helixtrans-57.4-33.1-176.9-152.4-92.4000113.8K8 A9 G10 R14 G103 W104 N106 C131K8-F12 PolarHBondContact O-N 3.32Å; K8-F12 VanDerWaalsContact O-N 3.12Å; A9-F12 WeakPolarHBondContact O-CB 3.29Å; A9-F12 PolarHBondContact O-N 3.04Å; G10-F12 VanDerWaalsContact C-N 3.31Å; F12-R14 PolarHBondContact O-N 3.04Å; F12-R14 VanDerWaalsContact O-N 3.13Å; F12-G103 WeakPolarHBondContact CE2-O 3.46Å; F12-W104 HydrophobicContact CD2-CE3 4.25Å; F12-W104 VanDerWaalsContact CZ-C 3.48Å; F12-W104 VanDerWaalsContact CZ-O 3.28Å; F12-W104 WeakPolarHBondContact CZ-O 3.48Å; F12-N106 HydrophobicContact CE1-CB 3.62Å; F12-N106 HydrophobicContact CZ-CB 3.62Å; F12-C131 HydrophobicContact CE2-CB 3.65Å; F12-C131 WeakPolarHBondContact CE2-SG 3.32Å; F12-C131 HydrophobicContact CZ-CB 3.84Å
13A51.4Low55.9Low95 Ų9599 Ų9979%0.78551%0.509SS*.THydrogen-bonded Turntrans-65-15178.200000113.5D11D11-A13 PolarHBondContact O-N 3.44Å
14R54.6Low58.7Low217 Ų217100.9 Ų100.982%0.81951%0.509SS*.SBendtrans-120.874.3177.1-65.5-174.8-174167.93.8110.8D11 F12D11-R14 PolarHBondContact O-N 2.84Å; F12-R14 PolarHBondContact O-N 3.04Å; F12-R14 VanDerWaalsContact O-N 3.13Å
15S56.7Low61.5Low19 Ų1992.5 Ų92.513%0.13348%0.481CS..  trans-48.1138.2162.264.40000109.8S81S15-S81 WeakPolarHBondContact CB-OG 3.35Å
16P60.5Low64.4Low45 Ų4588.9 Ų88.929%0.29246%0.463SS..  trans-53.5137.5-178.9-19.425.5000110.4K18 T19P16-K18 PolarHBondContact O-N 3.14Å; P16-T19 HydrophobicContact CB-CG2 3.9Å; P16-T19 HydrophobicContact CG-CG2 3.99Å; P16-T19 WeakPolarHBondContact O-CB 3.39Å; P16-T19 WeakPolarHBondContact O-CG2 3.23Å; P16-T19 PolarHBondContact O-N 3.13Å; P16-T19 PolarHBondContact O-OG1 2.95Å
17P58.1Low67.4Low110 Ų11090.2 Ų90.271%0.71447%0.467SS*.G310 helixtrans-52.7-28.9-174.1-27.332.6000113.8T19P17-T19 PolarHBondContact O-N 2.88Å
18K66Low70.2Confident145 Ų14588.4 Ų88.463%0.6346%0.461SS*.G310 helixtrans-764.3-179.3-60.6-177.6-176.3177.50114.4P16 R41P16-K18 PolarHBondContact O-N 3.14Å; K18-R41 VanDerWaalsContact C-NH1 3.3Å; K18-R41 VanDerWaalsContact CA-NH1 3.35Å; K18-R41 HydrophobicContact CB-CG 4.25Å; K18-R41 PolarHBondContact O-NE 3.19Å; K18-R41 VanDerWaalsContact O-NE 3.15Å; K18-R41 PolarHBondContact O-NH1 3.17Å; K18-R41 PolarHBondContact O-NH2 3.23Å
19T75.9Confident72.7Confident0 Ų085.3 Ų85.30%045%0.451CS..G310 helixtrans-107.6-2.8-175.666.30000112.8P16 P17 W38 C79 S81 G84P16-T19 HydrophobicContact CB-CG2 3.9Å; P16-T19 HydrophobicContact CG-CG2 3.99Å; P16-T19 WeakPolarHBondContact O-CB 3.39Å; P16-T19 WeakPolarHBondContact O-CG2 3.23Å; P16-T19 PolarHBondContact O-N 3.13Å; P16-T19 PolarHBondContact O-OG1 2.95Å; P17-T19 PolarHBondContact O-N 2.88Å; T19-W38 PolarHBondContact O-NE1 3.29Å; T19-C79 WeakPolarHBondContact CG2-O 3.32Å; T19-S81 PolarHBondContact OG1-OG 2.91Å; T19-G84 WeakPolarHBondContact O-CA 3.11Å
20K85Confident75.4Confident115 Ų11583.1 Ų83.150%0.544%0.436SS..SBendtrans-83.1154.9-175.4-60.8-175.3179-174.20113.3R41K20-R41 PolarHBondContact O-NH2 3.05Å
21Y91.5Very high78.1Confident64 Ų6482.4 Ų82.425%0.25142%0.42SS..  trans-56136.4169.5-177.7-105.8000113.1E23 V26 P83 K86 H87Y21-E23 HydrophobicContact CD1-CB 4.44Å; Y21-E23 HydrophobicContact CE1-CB 3.79Å; Y21-E23 HydrophobicContact CE1-CG 4.36Å; Y21-V26 HydrophobicContact CE2-CG2 3.69Å; Y21-P83 WeakPolarHBondContact CB-O 3.21Å; Y21-K86 HydrophobicContact CD1-CD 3.75Å; Y21-K86 HydrophobicContact CD1-CG 4.25Å; Y21-K86 HydrophobicContact CD2-CB 3.66Å; Y21-K86 HydrophobicContact CD2-CD 4.17Å; Y21-K86 HydrophobicContact CD2-CG 3.75Å; Y21-K86 HydrophobicContact CE1-CD 3.9Å; Y21-K86 HydrophobicContact CE1-CG 4.33Å; Y21-K86 HydrophobicContact CE2-CB 4.21Å; Y21-K86 HydrophobicContact CE2-CD 4.31Å; Y21-K86 HydrophobicContact CE2-CG 3.83Å; Y21-K86 HydrophobicContact CG-CB 3.87Å; Y21-K86 HydrophobicContact CG-CD 3.88Å; Y21-K86 HydrophobicContact CG-CG 3.96Å; Y21-H87 WeakPolarHBondContact CA-CE1 3.43Å; Y21-H87 AromaticContact CD2-CD2 3.77Å; Y21-H87 AromaticContact CD2-CG 3.78Å; Y21-H87 AromaticContact CD2-ND1 3.9Å; Y21-H87 AromaticContact CD2-NE2 3.9Å
22S92.2Very high80.4Confident32 Ų3278.7 Ų78.722%0.22440%0.399CS..  trans-117.897.2175.7-178.80000111K24 T25 V26 H87S22-K24 PolarHBondContact O-N 3.02Å; S22-T25 WeakPolarHBondContact CB-OG1 3.13Å; S22-T25 PolarHBondContact O-N 3.15Å; S22-T25 WeakPolarHBondContact OG-CB 3.17Å; S22-T25 PolarHBondContact OG-N 3.37Å; S22-T25 PolarHBondContact OG-OG1 2.93Å; S22-V26 WeakPolarHBondContact O-CG2 2.87Å; S22-V26 PolarHBondContact O-N 3.36Å; S22-V26 VanDerWaalsContact O-N 3.1Å; S22-H87 PolarHBondContact N-NE2 3.25Å
23E93.1Very high82.7Confident103 Ų10378.9 Ų78.948%0.48140%0.401SS..Hα-helixtrans-60.9-37.1176.6-169.5178.5160.200112Y21 T25 V26 K27Y21-E23 HydrophobicContact CD1-CB 4.44Å; Y21-E23 HydrophobicContact CE1-CB 3.79Å; Y21-E23 HydrophobicContact CE1-CG 4.36Å; E23-T25 PolarHBondContact O-N 3.18Å; E23-V26 PolarHBondContact O-N 3.1Å; E23-K27 HydrophobicContact CG-CD 4.38Å; E23-K27 WeakPolarHBondContact O-CG 3.21Å; E23-K27 PolarHBondContact O-N 3.47Å; E23-K27 WeakPolarHBondContact OE1-CE 3.16Å; E23-K27 IonicContact OE1-NZ 3.16Å; E23-K27 PolarHBondContact OE1-NZ 3.42Å
24K94.3Very high84.9Confident142 Ų14274.4 Ų74.462%0.61736%0.364SS*.Hα-helixtrans-56.9-50.8175.1-178.4-178.1175.7-179.40111.1S22 V26 K27 E28S22-K24 PolarHBondContact O-N 3.02Å; K24-V26 VanDerWaalsContact C-N 3.34Å; K24-V26 PolarHBondContact O-N 2.84Å; K24-K27 PolarHBondContact O-N 3.35Å; K24-E28 WeakPolarHBondContact CE-OE1 3.44Å; K24-E28 HydrophobicContact CG-CG 4.5Å; K24-E28 WeakPolarHBondContact CG-OE1 3.45Å; K24-E28 IonicContact NZ-OE1 3.65Å; K24-E28 WeakPolarHBondContact O-CB 3.42Å; K24-E28 WeakPolarHBondContact O-CG 3.43Å; K24-E28 PolarHBondContact O-N 3.07Å
25T92.8Very high86.9Confident31 Ų3164 Ų6419%0.1933%0.325CS..Hα-helixtrans-65.5-38.4-177.8-53.30000111.6S22 E23 E28 L29 A34S22-T25 WeakPolarHBondContact CB-OG1 3.13Å; S22-T25 PolarHBondContact O-N 3.15Å; S22-T25 WeakPolarHBondContact OG-CB 3.17Å; S22-T25 PolarHBondContact OG-N 3.37Å; S22-T25 PolarHBondContact OG-OG1 2.93Å; E23-T25 PolarHBondContact O-N 3.18Å; T25-E28 PolarHBondContact O-N 3.07Å; T25-L29 HydrophobicContact CG2-CD1 3.81Å; T25-L29 HydrophobicContact CG2-CG 4.34Å; T25-L29 WeakPolarHBondContact O-CB 3.47Å; T25-L29 PolarHBondContact O-N 3.43Å; T25-A34 HydrophobicContact CG2-CB 3.85Å
26V95.6Very high88.8Confident27 Ų2763.1 Ų63.116%0.16432%0.319CS..Hα-helixtrans-64.2-41.3175.8173.70000111.5Y21 S22 E23 K24 G30 A34Y21-V26 HydrophobicContact CE2-CG2 3.69Å; S22-V26 WeakPolarHBondContact O-CG2 2.87Å; S22-V26 PolarHBondContact O-N 3.36Å; S22-V26 VanDerWaalsContact O-N 3.1Å; E23-V26 PolarHBondContact O-N 3.1Å; K24-V26 VanDerWaalsContact C-N 3.34Å; K24-V26 PolarHBondContact O-N 2.84Å; V26-G30 WeakPolarHBondContact O-CA 3.33Å; V26-G30 PolarHBondContact O-N 2.6Å; V26-A34 HydrophobicContact CB-CB 4.29Å; V26-A34 HydrophobicContact CG2-CB 3.53Å
27K95.7Very high90.5Very high153 Ų15364.9 Ų64.967%0.66532%0.323SS*.Hα-helixtrans-66.3-38.6176.2-73.9178.7-178.3170.60112.6E23 K24E23-K27 HydrophobicContact CG-CD 4.38Å; E23-K27 WeakPolarHBondContact O-CG 3.21Å; E23-K27 PolarHBondContact O-N 3.47Å; E23-K27 WeakPolarHBondContact OE1-CE 3.16Å; E23-K27 IonicContact OE1-NZ 3.16Å; E23-K27 PolarHBondContact OE1-NZ 3.42Å; K24-K27 PolarHBondContact O-N 3.35Å
28E95.1Very high92.3Very high125 Ų12559.8 Ų59.858%0.58429%0.289SS*.Hα-helixtrans-78.9-39.7-176.4-72.7172.4173.100113.2K24 T25K24-E28 WeakPolarHBondContact CE-OE1 3.44Å; K24-E28 HydrophobicContact CG-CG 4.5Å; K24-E28 WeakPolarHBondContact CG-OE1 3.45Å; K24-E28 IonicContact NZ-OE1 3.65Å; K24-E28 WeakPolarHBondContact O-CB 3.42Å; K24-E28 WeakPolarHBondContact O-CG 3.43Å; K24-E28 PolarHBondContact O-N 3.07Å; T25-E28 PolarHBondContact O-N 3.07Å
29L93.7Very high93.8Very high82 Ų8252.9 Ų52.943%0.42926%0.259SS..Hα-helixtrans-116.2-7.9-169.3-54-177.2000114T25 M33T25-L29 HydrophobicContact CG2-CD1 3.81Å; T25-L29 HydrophobicContact CG2-CG 4.34Å; T25-L29 WeakPolarHBondContact O-CB 3.47Å; T25-L29 PolarHBondContact O-N 3.43Å; L29-M33 HydrophobicContact CB-CB 3.92Å; L29-M33 HydrophobicContact CB-CG 3.77Å; L29-M33 HydrophobicContact CD1-CG 3.88Å; L29-M33 HydrophobicContact CG-CG 4.39Å; L29-M33 WeakPolarHBondContact O-CB 3.33Å
30G95.3Very high94.8Very high25 Ų2554 Ų5426%0.25827%0.265SS..  trans80165.6-171.200000113.5V26 A34V26-G30 WeakPolarHBondContact O-CA 3.33Å; V26-G30 PolarHBondContact O-N 2.6Å; G30-A34 VanDerWaalsContact O-CB 3.24Å; G30-A34 WeakPolarHBondContact O-CB 3.34Å; G30-A34 PolarHBondContact O-N 3.25Å
31P96.6Very high95.3Very high45 Ų4553.4 Ų53.429%0.29226%0.26SS..Hα-helixtrans-67.3-40.8-170.425.6-34.4000113.5A34 C35 H90 L91P31-A34 PolarHBondContact O-N 3.33Å; P31-C35 VanDerWaalsContact O-CB 3.27Å; P31-C35 WeakPolarHBondContact O-CB 3.32Å; P31-C35 PolarHBondContact O-N 3.26Å; P31-H90 HydrophobicContact CB-CB 4.49Å; P31-H90 HydrophobicContact CG-CB 4.44Å; P31-L91 HydrophobicContact CB-CD1 3.91Å
32Q97.1Very high95.5Very high34 Ų3450.4 Ų50.416%0.15925%0.248CC..Hα-helixtrans-59.8-53.2179.3-70.2-75.17.600111.5C35 A36 F68 I70 S93Q32-C35 PolarHBondContact O-N 3.27Å; Q32-A36 WeakPolarHBondContact O-CB 3.2Å; Q32-A36 PolarHBondContact O-N 2.76Å; Q32-F68 HydrophobicContact CB-CE2 4.15Å; Q32-I70 VanDerWaalsContact OE1-CG1 3.29Å; Q32-S93 PolarHBondContact NE2-OG 3.12Å; Q32-S93 VanDerWaalsContact NE2-OG 3.07Å
33M96.5Very high95.6Very high47 Ų4752.6 Ų52.623%0.23227%0.268CS..Hα-helixtrans-66.8-40.6-179.3-178.161.173.900112L29 A36 Q37 L61 F68L29-M33 HydrophobicContact CB-CB 3.92Å; L29-M33 HydrophobicContact CB-CG 3.77Å; L29-M33 HydrophobicContact CD1-CG 3.88Å; L29-M33 HydrophobicContact CG-CG 4.39Å; L29-M33 WeakPolarHBondContact O-CB 3.33Å; M33-A36 PolarHBondContact O-N 3.02Å; M33-Q37 WeakPolarHBondContact O-CG 3.45Å; M33-Q37 PolarHBondContact O-N 2.9Å; M33-Q37 HydrophobicContact SD-CG 4.27Å; M33-L61 HydrophobicContact CE-CD1 4.3Å; M33-L61 HydrophobicContact SD-CD1 3.88Å; M33-L61 HydrophobicContact SD-CD2 4.04Å; M33-L61 HydrophobicContact SD-CG 4.15Å; M33-F68 HydrophobicContact CE-CE1 3.62Å; M33-F68 HydrophobicContact CE-CZ 4.17Å; M33-F68 HydrophobicContact SD-CE1 4.38Å; M33-F68 HydrophobicContact SD-CZ 4.38Å
34A96.1Very high95.8Very high1 Ų148 Ų481%0.00825%0.247CC..Hα-helixtrans-62.7-43177.100000111.9T25 V26 G30 P31 W38T25-A34 HydrophobicContact CG2-CB 3.85Å; V26-A34 HydrophobicContact CB-CB 4.29Å; V26-A34 HydrophobicContact CG2-CB 3.53Å; G30-A34 VanDerWaalsContact O-CB 3.24Å; G30-A34 WeakPolarHBondContact O-CB 3.34Å; G30-A34 PolarHBondContact O-N 3.25Å; P31-A34 PolarHBondContact O-N 3.33Å; A34-W38 WeakPolarHBondContact O-CB 3.47Å; A34-W38 PolarHBondContact O-N 2.79Å
35C97.3Very high96Very high0 Ų044.2 Ų44.20%023%0.232CC..Hα-helixtrans-63.2-48.5174.6-170.60000111.2P31 Q32 Q37 W38 L39 I70 H87 L91P31-C35 VanDerWaalsContact O-CB 3.27Å; P31-C35 WeakPolarHBondContact O-CB 3.32Å; P31-C35 PolarHBondContact O-N 3.26Å; Q32-C35 PolarHBondContact O-N 3.27Å; C35-Q37 VanDerWaalsContact C-N 3.34Å; C35-Q37 PolarHBondContact O-N 2.74Å; C35-W38 WeakPolarHBondContact O-CB 3.44Å; C35-W38 PolarHBondContact O-N 2.86Å; C35-L39 WeakPolarHBondContact O-CG 3.36Å; C35-L39 PolarHBondContact O-N 3.39Å; C35-I70 HydrophobicContact CB-CD1 4.11Å; C35-H87 HydrophobicContact CB-CB 4.02Å; C35-L91 HydrophobicContact CB-CD1 4.4Å; C35-L91 HydrophobicContact CB-CD2 3.71Å; C35-L91 VanDerWaalsContact SG-CD2 3.5Å
36A97.6Very high96.3Very high0 Ų042.8 Ų42.80%022%0.223CC..Hα-helixtrans-54.5-47176.800000112.4Q32 M33 W38 L39 L40 F46 L61 F68 I70Q32-A36 WeakPolarHBondContact O-CB 3.2Å; Q32-A36 PolarHBondContact O-N 2.76Å; M33-A36 PolarHBondContact O-N 3.02Å; A36-W38 VanDerWaalsContact C-N 3.34Å; A36-W38 PolarHBondContact O-N 3.44Å; A36-L39 PolarHBondContact O-N 2.81Å; A36-L40 WeakPolarHBondContact O-CG 3.43Å; A36-L40 PolarHBondContact O-N 3.19Å; A36-L40 VanDerWaalsContact O-N 3.15Å; A36-F46 HydrophobicContact CB-CE1 3.72Å; A36-F46 HydrophobicContact CB-CE2 4.14Å; A36-F46 HydrophobicContact CB-CZ 3.45Å; A36-F46 VanDerWaalsContact CB-CZ 3.45Å; A36-L61 HydrophobicContact CB-CD1 3.88Å; A36-L61 HydrophobicContact CB-CD2 4.23Å; A36-F68 HydrophobicContact CB-CE2 4.23Å; A36-F68 HydrophobicContact CB-CZ 3.96Å; A36-I70 HydrophobicContact CB-CD1 4.22Å
37Q95.9Very high96.4Very high82 Ų8244 Ų4438%0.38323%0.225SC..Hα-helixtrans-65.5-36.3177.4-71.6-174.812.200112.8M33 C35 R41 L61M33-Q37 WeakPolarHBondContact O-CG 3.45Å; M33-Q37 PolarHBondContact O-N 2.9Å; M33-Q37 HydrophobicContact SD-CG 4.27Å; C35-Q37 VanDerWaalsContact C-N 3.34Å; C35-Q37 PolarHBondContact O-N 2.74Å; Q37-R41 WeakPolarHBondContact O-CB 3.49Å; Q37-R41 PolarHBondContact O-N 2.78Å; Q37-R41 VanDerWaalsContact O-N 3.14Å; Q37-L61 HydrophobicContact CG-CD2 3.83Å
38W96.1Very high96.5Very high2 Ų237.2 Ų37.21%0.00820%0.196CC..Hα-helixtrans-67.1-45.9175.8166.773.2000111.8T19 A34 C35 A36 L40 R41 C42 V80 F85 H87 F88T19-W38 PolarHBondContact O-NE1 3.29Å; A34-W38 WeakPolarHBondContact O-CB 3.47Å; A34-W38 PolarHBondContact O-N 2.79Å; C35-W38 WeakPolarHBondContact O-CB 3.44Å; C35-W38 PolarHBondContact O-N 2.86Å; A36-W38 VanDerWaalsContact C-N 3.34Å; A36-W38 PolarHBondContact O-N 3.44Å; W38-L40 PolarHBondContact O-N 2.72Å; W38-R41 WeakPolarHBondContact O-CB 3.37Å; W38-R41 PolarHBondContact O-N 3.01Å; W38-R41 VanDerWaalsContact O-N 3.14Å; W38-C42 PolarHBondContact O-N 3.22Å; W38-V80 HydrophobicContact CH2-CB 4.04Å; W38-V80 HydrophobicContact CH2-CG1 3.66Å; W38-V80 HydrophobicContact CZ2-CB 3.86Å; W38-V80 HydrophobicContact CZ2-CG1 3.63Å; W38-F85 AromaticContact CH2-CD1 3.65Å; W38-F85 HydrophobicContact CH2-CD1 3.65Å; W38-F85 AromaticContact CH2-CE1 3.99Å; W38-F85 HydrophobicContact CH2-CE1 3.99Å; W38-F85 HydrophobicContact CZ2-CD1 4.3Å; W38-H87 AromaticContact CD1-CE1 3.54Å; W38-H87 AromaticContact CD1-ND1 3.79Å; W38-H87 HydrophobicContact CD2-CB 4.4Å; W38-H87 AromaticContact CD2-CE1 3.97Å; W38-H87 AromaticContact CD2-ND1 3.48Å; W38-H87 AromaticContact CE2-ND1 3.94Å; W38-H87 HydrophobicContact CE3-CB 3.99Å; W38-H87 AromaticContact CE3-ND1 3.95Å; W38-H87 AromaticContact CG-CE1 3.38Å; W38-H87 AromaticContact CG-ND1 3.41Å; W38-F88 AromaticContact CH2-CE2 3.93Å; W38-F88 HydrophobicContact CH2-CE2 3.93Å; W38-F88 HydrophobicContact CZ3-CD2 4.32Å; W38-F88 AromaticContact CZ3-CE2 3.62Å; W38-F88 HydrophobicContact CZ3-CE2 3.62Å; W38-F88 HydrophobicContact CZ3-CZ 4.04Å
39L97.4Very high96.6Very high0 Ų036.9 Ų36.90%020%0.195CC..Hα-helixtrans-55.5-52.3176.8-70.9169.7000111.3C35 A36 R41 C42 A43 A44 F46 I70 V73 L75 F88C35-L39 WeakPolarHBondContact O-CG 3.36Å; C35-L39 PolarHBondContact O-N 3.39Å; A36-L39 PolarHBondContact O-N 2.81Å; L39-R41 VanDerWaalsContact C-N 3.27Å; L39-R41 PolarHBondContact O-N 3.3Å; L39-C42 CarbonylContact O-C 3.6Å; L39-C42 WeakPolarHBondContact O-CA 3.24Å; L39-C42 WeakPolarHBondContact O-CB 3.44Å; L39-C42 PolarHBondContact O-N 3.24Å; L39-A43 PolarHBondContact O-N 3.14Å; L39-A44 CarbonylContact C-O 3.45Å; L39-A44 HydrophobicContact CB-CB 4.14Å; L39-A44 HydrophobicContact CD2-CB 3.9Å; L39-A44 PolarHBondContact O-N 3.36Å; L39-F46 HydrophobicContact CB-CD1 4.21Å; L39-F46 HydrophobicContact CD1-CB 3.99Å; L39-F46 HydrophobicContact CD1-CD1 3.85Å; L39-F46 HydrophobicContact CD1-CG 4.11Å; L39-I70 HydrophobicContact CD1-CD1 4.34Å; L39-V73 HydrophobicContact CD1-CG1 3.88Å; L39-V73 HydrophobicContact CD1-CG2 4.1Å; L39-V73 HydrophobicContact CD2-CG1 3.62Å; L39-V73 HydrophobicContact CG-CG1 4.42Å; L39-L75 HydrophobicContact CD2-CD2 3.57Å; L39-F88 HydrophobicContact CD2-CZ 4.29Å
40L96.4Very high96.7Very high23 Ų2336.9 Ų36.912%0.1222%0.215CC..Hα-helixtrans-61.2-35.1178.3-65.7-176.8000113.1A36 W38 C42 A43 F46 V55 S56 K58 L61A36-L40 WeakPolarHBondContact O-CG 3.43Å; A36-L40 PolarHBondContact O-N 3.19Å; A36-L40 VanDerWaalsContact O-N 3.15Å; W38-L40 PolarHBondContact O-N 2.72Å; L40-C42 PolarHBondContact O-N 3.2Å; L40-A43 PolarHBondContact O-N 2.94Å; L40-F46 HydrophobicContact CD2-CE1 4.25Å; L40-F46 HydrophobicContact CG-CE1 4.15Å; L40-V55 WeakPolarHBondContact CD2-O 3.43Å; L40-S56 VanDerWaalsContact CD2-C 3.43Å; L40-K58 HydrophobicContact CD1-CG 4.35Å; L40-L61 HydrophobicContact CD1-CB 3.89Å; L40-L61 HydrophobicContact CD1-CD2 3.79Å; L40-L61 HydrophobicContact CD1-CG 4.47Å
41R95.4Very high96.7Very high104 Ų10437 Ų3739%0.39221%0.212SC..Hα-helixtrans-69-26.9175.9177.6172.456.6132.81.5112.1K18 K20 Q37 W38 L39 A43K18-R41 VanDerWaalsContact C-NH1 3.3Å; K18-R41 VanDerWaalsContact CA-NH1 3.35Å; K18-R41 HydrophobicContact CB-CG 4.25Å; K18-R41 PolarHBondContact O-NE 3.19Å; K18-R41 VanDerWaalsContact O-NE 3.15Å; K18-R41 PolarHBondContact O-NH1 3.17Å; K18-R41 PolarHBondContact O-NH2 3.23Å; K20-R41 PolarHBondContact O-NH2 3.05Å; Q37-R41 WeakPolarHBondContact O-CB 3.49Å; Q37-R41 PolarHBondContact O-N 2.78Å; Q37-R41 VanDerWaalsContact O-N 3.14Å; W38-R41 WeakPolarHBondContact O-CB 3.37Å; W38-R41 PolarHBondContact O-N 3.01Å; W38-R41 VanDerWaalsContact O-N 3.14Å; L39-R41 VanDerWaalsContact C-N 3.27Å; L39-R41 PolarHBondContact O-N 3.3Å; R41-A43 VanDerWaalsContact C-N 3.3Å
42C94.8Very high96.7Very high1 Ų144.4 Ų44.41%0.00724%0.239CC..THydrogen-bonded Turntrans-86.62.5175.2-77.20000113.8W38 L39 L40 A44 S78 C79 V80W38-C42 PolarHBondContact O-N 3.22Å; L39-C42 CarbonylContact O-C 3.6Å; L39-C42 WeakPolarHBondContact O-CA 3.24Å; L39-C42 WeakPolarHBondContact O-CB 3.44Å; L39-C42 PolarHBondContact O-N 3.24Å; L40-C42 PolarHBondContact O-N 3.2Å; C42-A44 PolarHBondContact O-N 3.06Å; C42-S78 WeakPolarHBondContact O-CA 3.48Å; C42-S78 VanDerWaalsContact O-CB 3.32Å; C42-S78 WeakPolarHBondContact O-CB 3.34Å; C42-C79 VanDerWaalsContact CA-SG 3.53Å; C42-C79 PolarHBondContact O-N 2.63Å; C42-C79 PolarHBondContact O-SG 3.39Å; C42-V80 HydrophobicContact CB-CG1 3.55Å
43A95Very high96.6Very high78 Ų7849.2 Ų49.265%0.64526%0.262SS*.THydrogen-bonded Turntrans60.528.3-170.400000113.5L39 L40 R41L39-A43 PolarHBondContact O-N 3.14Å; L40-A43 PolarHBondContact O-N 2.94Å; R41-A43 VanDerWaalsContact C-N 3.3Å
44A97.3Very high96.7Very high5 Ų549.7 Ų49.74%0.04126%0.263CS..  trans-92.5163.7165.800000110.1L39 C42 D74 L75L39-A44 CarbonylContact C-O 3.45Å; L39-A44 HydrophobicContact CB-CB 4.14Å; L39-A44 HydrophobicContact CD2-CB 3.9Å; L39-A44 PolarHBondContact O-N 3.36Å; C42-A44 PolarHBondContact O-N 3.06Å; A44-D74 WeakPolarHBondContact CB-O 3.43Å; A44-L75 HydrophobicContact CB-CD2 3.83Å
45E98.5Very high96.8Very high64 Ų6449.7 Ų49.730%0.29926%0.262SS..EExtended strand (participates in β ladder)trans-128.8163.9176.360.2-178-157.900111.2F54 V55 S56 D74E45-F54 HydrophobicContact CB-CB 4.34Å; E45-F54 HydrophobicContact CB-CD1 4.21Å; E45-F54 HydrophobicContact CG-CB 4.26Å; E45-F54 HydrophobicContact CG-CD1 3.75Å; E45-F54 HydrophobicContact CG-CE1 4.48Å; E45-F54 HydrophobicContact CG-CG 4.28Å; E45-V55 WeakPolarHBondContact CA-O 3.37Å; E45-V55 WeakPolarHBondContact CB-O 3.17Å; E45-S56 WeakPolarHBondContact OE2-CB 3.43Å; E45-D74 HydrophobicContact CG-CB 3.89Å; E45-D74 PolarHBondContact N-O 3.25Å; E45-D74 PolarHBondContact O-N 3.02Å; E45-D74 VanDerWaalsContact O-O 3.12Å
46F98.7Very high96.8Very high0 Ų053.3 Ų53.30%029%0.288CS..EExtended strand (participates in β ladder)trans-151.6156-17963.7-85.6000111.5A36 L39 L40 V48 F54 V55 L61 L64 F68 I70 E72 V73A36-F46 HydrophobicContact CB-CE1 3.72Å; A36-F46 HydrophobicContact CB-CE2 4.14Å; A36-F46 HydrophobicContact CB-CZ 3.45Å; A36-F46 VanDerWaalsContact CB-CZ 3.45Å; L39-F46 HydrophobicContact CB-CD1 4.21Å; L39-F46 HydrophobicContact CD1-CB 3.99Å; L39-F46 HydrophobicContact CD1-CD1 3.85Å; L39-F46 HydrophobicContact CD1-CG 4.11Å; L40-F46 HydrophobicContact CD2-CE1 4.25Å; L40-F46 HydrophobicContact CG-CE1 4.15Å; F46-V48 HydrophobicContact CD2-CG1 4.09Å; F46-V48 HydrophobicContact CE2-CG1 3.8Å; F46-F54 VanDerWaalsContact C-CD1 3.5Å; F46-F54 CarbonylContact O-C 3.26Å; F46-F54 WeakPolarHBondContact O-CA 3.5Å; F46-V55 HydrophobicContact CD1-CB 4.31Å; F46-V55 HydrophobicContact CD2-CB 4.28Å; F46-V55 HydrophobicContact CD2-CG2 4.43Å; F46-V55 HydrophobicContact CE1-CB 3.87Å; F46-V55 HydrophobicContact CE1-CG1 3.86Å; F46-V55 HydrophobicContact CE2-CB 3.84Å; F46-V55 HydrophobicContact CE2-CG1 4.24Å; F46-V55 HydrophobicContact CE2-CG2 3.92Å; F46-V55 HydrophobicContact CG-CB 4.49Å; F46-V55 HydrophobicContact CZ-CB 3.6Å; F46-V55 HydrophobicContact CZ-CG1 3.56Å; F46-V55 HydrophobicContact CZ-CG2 4.1Å; F46-V55 PolarHBondContact N-O 3.3Å; F46-V55 WeakPolarHBondContact O-CB 3.39Å; F46-V55 PolarHBondContact O-N 3.05Å; F46-L61 HydrophobicContact CZ-CD1 4.16Å; F46-L64 HydrophobicContact CE2-CD1 4.24Å; F46-L64 HydrophobicContact CZ-CD1 4.49Å; F46-F68 HydrophobicContact CE2-CE2 4.41Å; F46-I70 HydrophobicContact CB-CG2 4.03Å; F46-I70 HydrophobicContact CD2-CD1 4.25Å; F46-I70 HydrophobicContact CD2-CG1 3.78Å; F46-I70 HydrophobicContact CD2-CG2 4.21Å; F46-I70 HydrophobicContact CE2-CG1 4.1Å; F46-I70 HydrophobicContact CG-CG1 4.44Å; F46-I70 HydrophobicContact CG-CG2 4.4Å; F46-E72 CarbonylContact C-O 3.2Å; F46-E72 WeakPolarHBondContact CA-O 3.47Å; F46-E72 WeakPolarHBondContact CB-O 3.36Å; F46-V73 HydrophobicContact CB-CG2 4.04Å
47R98.4Very high96.8Very high52 Ų5255.8 Ų55.820%0.19631%0.305CS..EExtended strand (participates in β ladder)trans-111.8140.1174-170.7167.466.276.83.5109.2S51 F54 E71 E72R47-S51 VanDerWaalsContact CD-O 3.23Å; R47-S51 WeakPolarHBondContact CD-O 3.27Å; R47-S51 WeakPolarHBondContact CG-O 3.48Å; R47-S51 PolarHBondContact NH1-O 3.25Å; R47-F54 HydrophobicContact CB-CD1 4.23Å; R47-F54 HydrophobicContact CB-CE1 4.21Å; R47-F54 HydrophobicContact CB-CG 4.41Å; R47-F54 HydrophobicContact CB-CZ 4.37Å; R47-E71 IonicContact CZ-OE2 3.95Å; R47-E71 IonicContact NH1-OE2 2.82Å; R47-E71 PolarHBondContact NH1-OE2 2.91Å; R47-E71 IonicContact NH2-OE2 3.69Å; R47-E71 PolarHBondContact NH2-OE2 2.93Å; R47-E71 PolarHBondContact O-N 3.06Å; R47-E72 HydrophobicContact CB-CB 4.18Å; R47-E72 IonicContact CZ-OE2 3.6Å; R47-E72 PolarHBondContact N-O 2.89Å; R47-E72 IonicContact NE-OE2 3.07Å; R47-E72 PolarHBondContact NE-OE2 2.99Å; R47-E72 IonicContact NH2-OE2 3.44Å; R47-E72 PolarHBondContact NH2-OE2 2.9Å; R47-E72 PolarHBondContact O-N 2.94Å
48V98.3Very high96.8Very high12 Ų1259.4 Ų59.47%0.07332%0.319CS..EExtended strand (participates in β ladder)trans-94.3155.8175.2-600000110.8F46 G50 S51 L64 F68 S69F46-V48 HydrophobicContact CD2-CG1 4.09Å; F46-V48 HydrophobicContact CE2-CG1 3.8Å; V48-G50 PolarHBondContact O-N 2.98Å; V48-S51 WeakPolarHBondContact O-CB 3.21Å; V48-S51 PolarHBondContact O-N 2.86Å; V48-L64 HydrophobicContact CG1-CD1 3.84Å; V48-L64 HydrophobicContact CG2-CD2 4.22Å; V48-F68 HydrophobicContact CB-CB 4.29Å; V48-F68 HydrophobicContact CG1-CB 4.01Å; V48-F68 HydrophobicContact CG1-CD2 3.56Å; V48-F68 HydrophobicContact CG1-CE2 4.34Å; V48-F68 HydrophobicContact CG1-CG 4.02Å; V48-S69 CarbonylContact C-O 3.52Å; V48-S69 WeakPolarHBondContact CA-O 3.38Å; V48-S69 WeakPolarHBondContact CB-O 3.5Å
49E97.3Very high96.8Very high117 Ų11762.7 Ų62.755%0.54735%0.347SS..THydrogen-bonded Turntrans-53133.6176.6-174.3169.7-147.400111.4S51 S69 E71E49-S51 PolarHBondContact O-N 3.39Å; E49-S69 PolarHBondContact N-O 2.98Å; E49-E71 HydrophobicContact CB-CB 4.45Å
50G95.2Very high96.8Very high82 Ų8264.8 Ų64.885%0.84536%0.357SS*.THydrogen-bonded Turntrans77.6-7.2-177.400000115.3V48V48-G50 PolarHBondContact O-N 2.98Å
51S96Very high96.8Very high28 Ų2864.3 Ų64.320%0.19636%0.355CS..  trans-91.6148.5173.7-175.60000111.8R47 V48 E49 E53R47-S51 VanDerWaalsContact CD-O 3.23Å; R47-S51 WeakPolarHBondContact CD-O 3.27Å; R47-S51 WeakPolarHBondContact CG-O 3.48Å; R47-S51 PolarHBondContact NH1-O 3.25Å; V48-S51 WeakPolarHBondContact O-CB 3.21Å; V48-S51 PolarHBondContact O-N 2.86Å; E49-S51 PolarHBondContact O-N 3.39Å; S51-E53 PolarHBondContact OG-N 2.97Å; S51-E53 PolarHBondContact OG-O 3.19Å; S51-E53 VanDerWaalsContact OG-O 3.14Å
52K95.1Very high96.8Very high201 Ų20168 Ų6887%0.87437%0.374SS*.SBendtrans-96.5-16.6167.2-67.4-177179.4-179.90112.9
53E96.3Very high96.9Very high134 Ų13472.3 Ų72.363%0.62640%0.403SS*.SBendtrans-101.7140.1-172.4-63.6-176.7177.700111.2S51S51-E53 PolarHBondContact OG-N 2.97Å; S51-E53 PolarHBondContact OG-O 3.19Å; S51-E53 VanDerWaalsContact OG-O 3.14Å
54F98.1Very high96.9Very high58 Ų5870.1 Ų70.125%0.25438%0.381SS..EExtended strand (participates in β ladder)trans-76.9143.9170.4-80.8-96.8000111.3E45 F46 R47 H60 E72 D74E45-F54 HydrophobicContact CB-CB 4.34Å; E45-F54 HydrophobicContact CB-CD1 4.21Å; E45-F54 HydrophobicContact CG-CB 4.26Å; E45-F54 HydrophobicContact CG-CD1 3.75Å; E45-F54 HydrophobicContact CG-CE1 4.48Å; E45-F54 HydrophobicContact CG-CG 4.28Å; F46-F54 VanDerWaalsContact C-CD1 3.5Å; F46-F54 CarbonylContact O-C 3.26Å; F46-F54 WeakPolarHBondContact O-CA 3.5Å; R47-F54 HydrophobicContact CB-CD1 4.23Å; R47-F54 HydrophobicContact CB-CE1 4.21Å; R47-F54 HydrophobicContact CB-CG 4.41Å; R47-F54 HydrophobicContact CB-CZ 4.37Å; F54-H60 PolarHBondContact O-CE1 3.48Å; F54-H60 PolarHBondContact O-ND1 3.01Å; F54-E72 HydrophobicContact CE1-CG 4.09Å; F54-E72 HydrophobicContact CZ-CG 3.79Å; F54-D74 HydrophobicContact CD1-CB 4.47Å; F54-D74 HydrophobicContact CE1-CB 3.88Å
55V98.5Very high96.6Very high0 Ų076.8 Ų76.80%041%0.411CS..EExtended strand (participates in β ladder)trans-95.9105.2173.9-175.70000107.6L40 E45 F46 H60 L61 L64L40-V55 WeakPolarHBondContact CD2-O 3.43Å; E45-V55 WeakPolarHBondContact CA-O 3.37Å; E45-V55 WeakPolarHBondContact CB-O 3.17Å; F46-V55 HydrophobicContact CD1-CB 4.31Å; F46-V55 HydrophobicContact CD2-CB 4.28Å; F46-V55 HydrophobicContact CD2-CG2 4.43Å; F46-V55 HydrophobicContact CE1-CB 3.87Å; F46-V55 HydrophobicContact CE1-CG1 3.86Å; F46-V55 HydrophobicContact CE2-CB 3.84Å; F46-V55 HydrophobicContact CE2-CG1 4.24Å; F46-V55 HydrophobicContact CE2-CG2 3.92Å; F46-V55 HydrophobicContact CG-CB 4.49Å; F46-V55 HydrophobicContact CZ-CB 3.6Å; F46-V55 HydrophobicContact CZ-CG1 3.56Å; F46-V55 HydrophobicContact CZ-CG2 4.1Å; F46-V55 PolarHBondContact N-O 3.3Å; F46-V55 WeakPolarHBondContact O-CB 3.39Å; F46-V55 PolarHBondContact O-N 3.05Å; V55-H60 HydrophobicContact CG1-CB 4.08Å; V55-L61 HydrophobicContact CG1-CB 4.09Å; V55-L64 HydrophobicContact CG2-CD1 3.93Å; V55-L64 HydrophobicContact CG2-CD2 4.26Å; V55-L64 HydrophobicContact CG2-CG 4.5Å
56S96.9Very high96.1Very high77 Ų7779.8 Ų79.854%0.53844%0.436SS..  trans-117.42.3-179.7590000113.2L40 E45L40-S56 VanDerWaalsContact CD2-C 3.43Å; E45-S56 WeakPolarHBondContact OE2-CB 3.43Å
57S97Very high95.9Very high52 Ų5285.9 Ų85.936%0.36447%0.469SS..SBendtrans-138.4153.1-179.578.60000113.1A59 H60 L61S57-A59 PolarHBondContact O-N 3.21Å; S57-H60 PolarHBondContact O-N 3.41Å; S57-H60 PolarHBondContact OG-N 2.91Å; S57-L61 PolarHBondContact O-N 3.03Å
58K95.6Very high95.8Very high157 Ų15784.4 Ų84.468%0.68346%0.464SS*.Hα-helixtrans-64.2-26.3174.9-66.2-177-174.1178.60112.9L40 K62L40-K58 HydrophobicContact CD1-CG 4.35Å; K58-K62 WeakPolarHBondContact O-CG 3.36Å; K58-K62 PolarHBondContact O-N 2.89Å; K58-K62 VanDerWaalsContact O-N 3.17Å
59A96.6Very high95.8Very high72 Ų7285.5 Ų85.560%0.59547%0.472SS*.Hα-helixtrans-68.4-47.1176.500000110.4S57 K62 S63S57-A59 PolarHBondContact O-N 3.21Å; A59-K62 PolarHBondContact O-N 2.85Å; A59-S63 PolarHBondContact O-N 3.06Å
60H97.2Very high95.9Very high44 Ų4480 Ų8020%0.20445%0.446CS..Hα-helixtrans-63.3-41.8174.9-170.6178.1000111.2F54 V55 S57 K62 S63 L64F54-H60 PolarHBondContact O-CE1 3.48Å; F54-H60 PolarHBondContact O-ND1 3.01Å; V55-H60 HydrophobicContact CG1-CB 4.08Å; S57-H60 PolarHBondContact O-N 3.41Å; S57-H60 PolarHBondContact OG-N 2.91Å; H60-K62 VanDerWaalsContact C-N 3.25Å; H60-K62 PolarHBondContact O-N 2.92Å; H60-S63 PolarHBondContact O-N 3.33Å; H60-S63 PolarHBondContact O-OG 3.46Å; H60-L64 PolarHBondContact O-N 3.44Å
61L97Very high96Very high13 Ų1377.2 Ų77.27%0.06841%0.411CS..Hα-helixtrans-57.5-37.5174.8176.557.6000113M33 A36 Q37 L40 F46 V55 S57 S63 L64 F68M33-L61 HydrophobicContact CE-CD1 4.3Å; M33-L61 HydrophobicContact SD-CD1 3.88Å; M33-L61 HydrophobicContact SD-CD2 4.04Å; M33-L61 HydrophobicContact SD-CG 4.15Å; A36-L61 HydrophobicContact CB-CD1 3.88Å; A36-L61 HydrophobicContact CB-CD2 4.23Å; Q37-L61 HydrophobicContact CG-CD2 3.83Å; L40-L61 HydrophobicContact CD1-CB 3.89Å; L40-L61 HydrophobicContact CD1-CD2 3.79Å; L40-L61 HydrophobicContact CD1-CG 4.47Å; F46-L61 HydrophobicContact CZ-CD1 4.16Å; V55-L61 HydrophobicContact CG1-CB 4.09Å; S57-L61 PolarHBondContact O-N 3.03Å; L61-S63 VanDerWaalsContact C-N 3.29Å; L61-S63 PolarHBondContact O-N 2.95Å; L61-L64 HydrophobicContact CD1-CD1 3.97Å; L61-L64 PolarHBondContact O-N 3.39Å; L61-F68 HydrophobicContact CD1-CE1 3.97Å; L61-F68 HydrophobicContact CD1-CZ 3.88Å
62K95.4Very high96.1Very high182 Ų18277.5 Ų77.579%0.79141%0.41SS*.Hα-helixtrans-71.7-20.4178.5-75.8175.6179-172.10113.8K58 A59 H60K58-K62 WeakPolarHBondContact O-CG 3.36Å; K58-K62 PolarHBondContact O-N 2.89Å; K58-K62 VanDerWaalsContact O-N 3.17Å; A59-K62 PolarHBondContact O-N 2.85Å; H60-K62 VanDerWaalsContact C-N 3.25Å; H60-K62 PolarHBondContact O-N 2.92Å
63S95.4Very high96.3Very high90 Ų9068 Ų6863%0.62937%0.368SS*.Hα-helixtrans-88.1-8.617765.30000113.3A59 H60 L61A59-S63 PolarHBondContact O-N 3.06Å; H60-S63 PolarHBondContact O-N 3.33Å; H60-S63 PolarHBondContact O-OG 3.46Å; L61-S63 VanDerWaalsContact C-N 3.29Å; L61-S63 PolarHBondContact O-N 2.95Å
64L95.5Very high96.4Very high33 Ų3363.1 Ų63.117%0.17335%0.346CS..SBendtrans-68.9148.8176.6-62-177.3000111.5F46 V48 V55 H60 L61 F68F46-L64 HydrophobicContact CE2-CD1 4.24Å; F46-L64 HydrophobicContact CZ-CD1 4.49Å; V48-L64 HydrophobicContact CG1-CD1 3.84Å; V48-L64 HydrophobicContact CG2-CD2 4.22Å; V55-L64 HydrophobicContact CG2-CD1 3.93Å; V55-L64 HydrophobicContact CG2-CD2 4.26Å; V55-L64 HydrophobicContact CG2-CG 4.5Å; H60-L64 PolarHBondContact O-N 3.44Å; L61-L64 HydrophobicContact CD1-CD1 3.97Å; L61-L64 PolarHBondContact O-N 3.39Å; L64-F68 HydrophobicContact CB-CD1 3.88Å; L64-F68 HydrophobicContact CB-CE1 4.43Å; L64-F68 HydrophobicContact CB-CG 4.44Å; L64-F68 HydrophobicContact CD1-CD1 3.98Å; L64-F68 HydrophobicContact CD1-CD2 4.38Å; L64-F68 HydrophobicContact CD1-CE1 4.18Å; L64-F68 HydrophobicContact CD1-CG 4.09Å; L64-F68 HydrophobicContact CD1-CZ 4.48Å
65Q92.4Very high96.4Very high144 Ų14460.4 Ų60.467%0.67333%0.334SS*.  trans-63.5143.2171-67.5-171.7-12.300110.6N67 F68Q65-N67 PolarHBondContact O-N 3.15Å; Q65-F68 VanDerWaalsContact O-CD1 3.29Å; Q65-F68 WeakPolarHBondContact O-CD1 3.18Å; Q65-F68 PolarHBondContact O-N 2.87Å
66P87.7Confident96.3Very high128 Ų12862.5 Ų62.583%0.83135%0.348SS*.THydrogen-bonded Turntrans-56.7-27.3-172.5-28.135.1000116.1
67N93.1Very high96.3Very high127 Ų12764.5 Ų64.568%0.67935%0.352SS*.THydrogen-bonded Turntrans-102.126.1-176.165.5-33.4000113.4Q65Q65-N67 PolarHBondContact O-N 3.15Å
68F97.1Very high96.1Very high22 Ų2262.3 Ų62.310%0.09634%0.337CS..  trans-59.3156.2176.372.6-99.5000112.1Q32 M33 A36 F46 V48 L61 L64 Q65 I70Q32-F68 HydrophobicContact CB-CE2 4.15Å; M33-F68 HydrophobicContact CE-CE1 3.62Å; M33-F68 HydrophobicContact CE-CZ 4.17Å; M33-F68 HydrophobicContact SD-CE1 4.38Å; M33-F68 HydrophobicContact SD-CZ 4.38Å; A36-F68 HydrophobicContact CB-CE2 4.23Å; A36-F68 HydrophobicContact CB-CZ 3.96Å; F46-F68 HydrophobicContact CE2-CE2 4.41Å; V48-F68 HydrophobicContact CB-CB 4.29Å; V48-F68 HydrophobicContact CG1-CB 4.01Å; V48-F68 HydrophobicContact CG1-CD2 3.56Å; V48-F68 HydrophobicContact CG1-CE2 4.34Å; V48-F68 HydrophobicContact CG1-CG 4.02Å; L61-F68 HydrophobicContact CD1-CE1 3.97Å; L61-F68 HydrophobicContact CD1-CZ 3.88Å; L64-F68 HydrophobicContact CB-CD1 3.88Å; L64-F68 HydrophobicContact CB-CE1 4.43Å; L64-F68 HydrophobicContact CB-CG 4.44Å; L64-F68 HydrophobicContact CD1-CD1 3.98Å; L64-F68 HydrophobicContact CD1-CD2 4.38Å; L64-F68 HydrophobicContact CD1-CE1 4.18Å; L64-F68 HydrophobicContact CD1-CG 4.09Å; L64-F68 HydrophobicContact CD1-CZ 4.48Å; Q65-F68 VanDerWaalsContact O-CD1 3.29Å; Q65-F68 WeakPolarHBondContact O-CD1 3.18Å; Q65-F68 PolarHBondContact O-N 2.87Å; F68-I70 HydrophobicContact CD2-CG1 4.4Å; F68-I70 HydrophobicContact CE2-CG1 4Å
69S98Very high96Very high35 Ų3557 Ų5725%0.24532%0.319CS..  trans-125.8127.4172.9-71.50000110.3V48 E49 E71V48-S69 CarbonylContact C-O 3.52Å; V48-S69 WeakPolarHBondContact CA-O 3.38Å; V48-S69 WeakPolarHBondContact CB-O 3.5Å; E49-S69 PolarHBondContact N-O 2.98Å; S69-E71 PolarHBondContact O-N 2.89Å
70I98.6Very high95.8Very high0 Ų053.6 Ų53.60%029%0.29CS..EExtended strand (participates in β ladder)trans-68.6125.1175.5-61.4172.6000108.9Q32 C35 A36 L39 F46 F68 V73 L91 S93 V94Q32-I70 VanDerWaalsContact OE1-CG1 3.29Å; C35-I70 HydrophobicContact CB-CD1 4.11Å; A36-I70 HydrophobicContact CB-CD1 4.22Å; L39-I70 HydrophobicContact CD1-CD1 4.34Å; F46-I70 HydrophobicContact CB-CG2 4.03Å; F46-I70 HydrophobicContact CD2-CD1 4.25Å; F46-I70 HydrophobicContact CD2-CG1 3.78Å; F46-I70 HydrophobicContact CD2-CG2 4.21Å; F46-I70 HydrophobicContact CE2-CG1 4.1Å; F46-I70 HydrophobicContact CG-CG1 4.44Å; F46-I70 HydrophobicContact CG-CG2 4.4Å; F68-I70 HydrophobicContact CD2-CG1 4.4Å; F68-I70 HydrophobicContact CE2-CG1 4Å; I70-V73 HydrophobicContact CG2-CG2 3.44Å; I70-V73 VanDerWaalsContact CG2-CG2 3.44Å; I70-L91 HydrophobicContact CD1-CD2 4.11Å; I70-S93 CarbonylContact O-C 3.54Å; I70-S93 VanDerWaalsContact O-C 3.26Å; I70-S93 VanDerWaalsContact O-CB 3.27Å; I70-S93 WeakPolarHBondContact O-CB 3.41Å; I70-S93 PolarHBondContact O-OG 2.99Å; I70-V94 HydrophobicContact CB-CG2 4.35Å; I70-V94 HydrophobicContact CG2-CG2 4.03Å; I70-V94 PolarHBondContact O-N 3.03Å
71E98.5Very high95.5Very high25 Ų2551.6 Ų51.612%0.11728%0.282CS..EExtended strand (participates in β ladder)trans-109.1-37.9-178.4-178.2176.6-119.200112.2R47 E49 S69 V94 K95 A96R47-E71 IonicContact CZ-OE2 3.95Å; R47-E71 IonicContact NH1-OE2 2.82Å; R47-E71 PolarHBondContact NH1-OE2 2.91Å; R47-E71 IonicContact NH2-OE2 3.69Å; R47-E71 PolarHBondContact NH2-OE2 2.93Å; R47-E71 PolarHBondContact O-N 3.06Å; E49-E71 HydrophobicContact CB-CB 4.45Å; S69-E71 PolarHBondContact O-N 2.89Å; E71-V94 CarbonylContact O-C 3.49Å; E71-V94 WeakPolarHBondContact O-CA 3.38Å; E71-K95 HydrophobicContact CG-CB 4.34Å; E71-K95 HydrophobicContact CG-CD 3.99Å; E71-K95 HydrophobicContact CG-CG 4.3Å; E71-K95 PolarHBondContact O-N 3.16Å; E71-K95 IonicContact OE1-NZ 2.73Å; E71-K95 PolarHBondContact OE1-NZ 3.15Å; E71-A96 PolarHBondContact O-N 3.16Å
72E98.7Very high95Very high34 Ų3451.4 Ų51.416%0.15928%0.283CS..EExtended strand (participates in β ladder)trans-137.7139.6-177.8172.5172.8-155.200109.7F46 R47 F54 A96 H98F46-E72 CarbonylContact C-O 3.2Å; F46-E72 WeakPolarHBondContact CA-O 3.47Å; F46-E72 WeakPolarHBondContact CB-O 3.36Å; R47-E72 HydrophobicContact CB-CB 4.18Å; R47-E72 IonicContact CZ-OE2 3.6Å; R47-E72 PolarHBondContact N-O 2.89Å; R47-E72 IonicContact NE-OE2 3.07Å; R47-E72 PolarHBondContact NE-OE2 2.99Å; R47-E72 IonicContact NH2-OE2 3.44Å; R47-E72 PolarHBondContact NH2-OE2 2.9Å; R47-E72 PolarHBondContact O-N 2.94Å; F54-E72 HydrophobicContact CE1-CG 4.09Å; F54-E72 HydrophobicContact CZ-CG 3.79Å; E72-A96 CarbonylContact C-O 3.52Å; E72-A96 WeakPolarHBondContact CA-O 3.39Å; E72-A96 HydrophobicContact CB-CB 4.04Å; E72-A96 HydrophobicContact CG-CB 3.76Å; E72-H98 IonicContact OE1-CD2 2.67Å; E72-H98 IonicContact OE1-NE2 3.88Å; E72-H98 PolarHBondContact OE1-NE2 3.3Å
73V98.8Very high94.8Very high0 Ų046.5 Ų46.50%027%0.269CS..EExtended strand (participates in β ladder)trans-129.4128.4-178.6-179.60000110L39 F46 I70 L75 F88 A96 I97 H98L39-V73 HydrophobicContact CD1-CG1 3.88Å; L39-V73 HydrophobicContact CD1-CG2 4.1Å; L39-V73 HydrophobicContact CD2-CG1 3.62Å; L39-V73 HydrophobicContact CG-CG1 4.42Å; F46-V73 HydrophobicContact CB-CG2 4.04Å; I70-V73 HydrophobicContact CG2-CG2 3.44Å; I70-V73 VanDerWaalsContact CG2-CG2 3.44Å; V73-L75 HydrophobicContact CG1-CD2 3.46Å; V73-L75 VanDerWaalsContact CG1-CD2 3.46Å; V73-L75 HydrophobicContact CG1-CG 4.01Å; V73-F88 HydrophobicContact CG1-CZ 4.17Å; V73-F88 HydrophobicContact CG2-CE1 4.01Å; V73-F88 HydrophobicContact CG2-CZ 4.47Å; V73-A96 PolarHBondContact N-O 2.99Å; V73-I97 HydrophobicContact CB-CG1 4.22Å; V73-I97 WeakPolarHBondContact O-CA 3.44Å; V73-H98 PolarHBondContact O-N 2.87Å
74D98.6Very high94.6Very high33 Ų3342.2 Ų42.218%0.17624%0.239CC..EExtended strand (participates in β ladder)trans-110.2115.3174.1-166.2-19.1000109.7A44 E45 F54 T76A44-D74 WeakPolarHBondContact CB-O 3.43Å; E45-D74 HydrophobicContact CG-CB 3.89Å; E45-D74 PolarHBondContact N-O 3.25Å; E45-D74 PolarHBondContact O-N 3.02Å; E45-D74 VanDerWaalsContact O-O 3.12Å; F54-D74 HydrophobicContact CD1-CB 4.47Å; F54-D74 HydrophobicContact CE1-CB 3.88Å; D74-T76 WeakPolarHBondContact OD1-CB 3.39Å; D74-T76 PolarHBondContact OD1-N 2.82Å; D74-T76 PolarHBondContact OD1-OG1 3.39Å
75L97.8Very high94.7Very high0 Ų040.6 Ų40.60%023%0.231CC..  trans-100.810.1-179.8-50.8175.9000111.8L39 A44 V73 D77 S78 V80 F85 I97 H98 C102L39-L75 HydrophobicContact CD2-CD2 3.57Å; A44-L75 HydrophobicContact CB-CD2 3.83Å; V73-L75 HydrophobicContact CG1-CD2 3.46Å; V73-L75 VanDerWaalsContact CG1-CD2 3.46Å; V73-L75 HydrophobicContact CG1-CG 4.01Å; L75-D77 PolarHBondContact O-N 2.67Å; L75-S78 WeakPolarHBondContact O-CB 3.37Å; L75-S78 PolarHBondContact O-N 3.33Å; L75-S78 PolarHBondContact O-OG 3.12Å; L75-V80 HydrophobicContact CB-CG2 4.17Å; L75-V80 HydrophobicContact CD1-CG2 4.17Å; L75-V80 HydrophobicContact CD2-CG1 4.01Å; L75-V80 HydrophobicContact CD2-CG2 4.34Å; L75-V80 HydrophobicContact CG-CG2 4.46Å; L75-F85 HydrophobicContact CD1-CE1 4.01Å; L75-F85 HydrophobicContact CD1-CZ 4.3Å; L75-I97 HydrophobicContact CD1-CG2 4.27Å; L75-H98 WeakPolarHBondContact CA-O 3.44Å; L75-H98 WeakPolarHBondContact CB-O 3.47Å; L75-H98 PolarHBondContact N-O 3.06Å; L75-C102 PolarHBondContact O-SG 3.41Å
76T97.2Very high94.8Very high45 Ų4537.5 Ų37.528%0.27622%0.215SC..THydrogen-bonded Turntrans-54.2127.5-176.8-60.40000111.4D74 S78 V100D74-T76 WeakPolarHBondContact OD1-CB 3.39Å; D74-T76 PolarHBondContact OD1-N 2.82Å; D74-T76 PolarHBondContact OD1-OG1 3.39Å; T76-S78 PolarHBondContact O-N 3.23Å; T76-V100 VanDerWaalsContact CA-O 3.25Å; T76-V100 WeakPolarHBondContact CA-O 3.41Å; T76-V100 HydrophobicContact CG2-CB 4.15Å; T76-V100 HydrophobicContact CG2-CG1 4.37Å
77D95.2Very high95.3Very high119 Ų11931.6 Ų31.664%0.63618%0.177SC*.THydrogen-bonded Turntrans55.614.2-179.7-65.3-52000115.1L75 V100 H101L75-D77 PolarHBondContact O-N 2.67Å; D77-V100 PolarHBondContact N-O 3.35Å; D77-V100 VanDerWaalsContact N-O 3.15Å; D77-H101 WeakPolarHBondContact OD1-CB 3.28Å; D77-H101 IonicContact OD1-CD2 2.8Å; D77-H101 IonicContact OD1-CG 3.23Å
78S93.7Very high95.5Very high6 Ų625.5 Ų25.54%0.04214%0.144CC..  trans-81.1161.4-179.576.60000111.9C42 L75 T76 V80C42-S78 WeakPolarHBondContact O-CA 3.48Å; C42-S78 VanDerWaalsContact O-CB 3.32Å; C42-S78 WeakPolarHBondContact O-CB 3.34Å; L75-S78 WeakPolarHBondContact O-CB 3.37Å; L75-S78 PolarHBondContact O-N 3.33Å; L75-S78 PolarHBondContact O-OG 3.12Å; T76-S78 PolarHBondContact O-N 3.23Å; S78-V80 VanDerWaalsContact C-N 3.34Å; S78-V80 WeakPolarHBondContact OG-CG2 3.36Å
79C92.7Very high95.4Very high45 Ų4526.4 Ų26.430%0.30415%0.15SC..  trans-9525.8176.163.30000113.5T19 C42T19-C79 WeakPolarHBondContact CG2-O 3.32Å; C42-C79 VanDerWaalsContact CA-SG 3.53Å; C42-C79 PolarHBondContact O-N 2.63Å; C42-C79 PolarHBondContact O-SG 3.39Å
80V93.3Very high95.1Very high0 Ų031.4 Ų31.40%017%0.169CC..  trans-63.5148.3176.2-64.20000112.1W38 C42 L75 S78 F85 W104 V105W38-V80 HydrophobicContact CH2-CB 4.04Å; W38-V80 HydrophobicContact CH2-CG1 3.66Å; W38-V80 HydrophobicContact CZ2-CB 3.86Å; W38-V80 HydrophobicContact CZ2-CG1 3.63Å; C42-V80 HydrophobicContact CB-CG1 3.55Å; L75-V80 HydrophobicContact CB-CG2 4.17Å; L75-V80 HydrophobicContact CD1-CG2 4.17Å; L75-V80 HydrophobicContact CD2-CG1 4.01Å; L75-V80 HydrophobicContact CD2-CG2 4.34Å; L75-V80 HydrophobicContact CG-CG2 4.46Å; S78-V80 VanDerWaalsContact C-N 3.34Å; S78-V80 WeakPolarHBondContact OG-CG2 3.36Å; V80-F85 HydrophobicContact CB-CE1 4.15Å; V80-F85 HydrophobicContact CG2-CE1 4.03Å; V80-F85 HydrophobicContact CG2-CZ 4.22Å; V80-W104 WeakPolarHBondContact O-CB 3.4Å; V80-V105 HydrophobicContact CG2-CG2 4.12Å
81S90.3Very high95.1Very high3 Ų331.4 Ų31.42%0.02117%0.169CC..  trans-139.1160.8179.167.90000111.1S15 T19 G84S15-S81 WeakPolarHBondContact CB-OG 3.35Å; T19-S81 PolarHBondContact OG1-OG 2.91Å; S81-G84 WeakPolarHBondContact O-CA 3.42Å; S81-G84 PolarHBondContact O-N 3.47Å
82G87.1Confident94.9Very high9 Ų936.6 Ų36.69%0.09319%0.191CC..G310 helixtrans-45.9-50.1-177.400000115G84 F85 G109G82-G84 PolarHBondContact O-N 3.5Å; G82-G84 VanDerWaalsContact O-N 3.1Å; G82-F85 WeakPolarHBondContact O-CB 3.46Å; G82-F85 PolarHBondContact O-N 3.08Å; G82-G109 VanDerWaalsContact CA-CA 3.48Å
83P89.8Confident94.9Very high78 Ų7836 Ų3651%0.50619%0.191SC..G310 helixtrans-59.3-24.4177.7-26.735.5000115Y21Y21-P83 WeakPolarHBondContact CB-O 3.21Å
84G93Very high94.9Very high0 Ų036 Ų360%019%0.191CC..G310 helixtrans-75.5-24.717600000113.5T19 S81 G82 K86 H87T19-G84 WeakPolarHBondContact O-CA 3.11Å; S81-G84 WeakPolarHBondContact O-CA 3.42Å; S81-G84 PolarHBondContact O-N 3.47Å; G82-G84 PolarHBondContact O-N 3.5Å; G82-G84 VanDerWaalsContact O-N 3.1Å; G84-K86 PolarHBondContact O-N 3.28Å; G84-K86 VanDerWaalsContact O-N 3.14Å; G84-H87 PolarHBondContact O-N 3.1Å; G84-H87 PolarHBondContact O-ND1 3.49Å
85F95.8Very high94.9Very high0 Ų037.8 Ų37.80%020%0.197CC..G310 helixtrans-67.3-13.9-177-66.7-30.8000114.6W38 L75 V80 G82 H87 F88 V105 G109 L113W38-F85 AromaticContact CH2-CD1 3.65Å; W38-F85 HydrophobicContact CH2-CD1 3.65Å; W38-F85 AromaticContact CH2-CE1 3.99Å; W38-F85 HydrophobicContact CH2-CE1 3.99Å; W38-F85 HydrophobicContact CZ2-CD1 4.3Å; L75-F85 HydrophobicContact CD1-CE1 4.01Å; L75-F85 HydrophobicContact CD1-CZ 4.3Å; V80-F85 HydrophobicContact CB-CE1 4.15Å; V80-F85 HydrophobicContact CG2-CE1 4.03Å; V80-F85 HydrophobicContact CG2-CZ 4.22Å; G82-F85 WeakPolarHBondContact O-CB 3.46Å; G82-F85 PolarHBondContact O-N 3.08Å; F85-H87 PolarHBondContact O-N 3.44Å; F85-F88 HydrophobicContact CB-CD2 4.19Å; F85-F88 AromaticContact CD1-CD2 3.92Å; F85-F88 HydrophobicContact CD1-CD2 3.92Å; F85-F88 AromaticContact CD1-CE2 3.64Å; F85-F88 HydrophobicContact CD1-CE2 3.64Å; F85-F88 HydrophobicContact CE1-CE2 4.14Å; F85-F88 HydrophobicContact CG-CD2 4.43Å; F85-F88 WeakPolarHBondContact O-CB 3.42Å; F85-F88 WeakPolarHBondContact O-CD2 3.27Å; F85-F88 PolarHBondContact O-N 3.22Å; F85-V105 HydrophobicContact CE2-CG1 3.96Å; F85-V105 HydrophobicContact CE2-CG2 3.93Å; F85-V105 HydrophobicContact CZ-CG1 4.29Å; F85-V105 HydrophobicContact CZ-CG2 3.58Å; F85-G109 WeakPolarHBondContact CD2-O 3.42Å; F85-L113 HydrophobicContact CB-CB 4.46Å; F85-L113 HydrophobicContact CD1-CD1 4.19Å; F85-L113 HydrophobicContact CD2-CB 3.9Å; F85-L113 HydrophobicContact CE1-CD2 4.46Å; F85-L113 HydrophobicContact CE2-CB 4.19Å; F85-L113 HydrophobicContact CE2-CD2 4.26Å; F85-L113 HydrophobicContact CG-CB 4.19Å; F85-L113 HydrophobicContact CG-CD1 4.26Å; F85-L113 HydrophobicContact CZ-CD2 4.14Å
86K95.8Very high94.9Very high78 Ų7838.3 Ų38.334%0.33920%0.202SC..G310 helixtrans-55.8-21.8166.5-170.1172.2179.8175.50113.2Y21 G84 F88 D89 W112Y21-K86 HydrophobicContact CD1-CD 3.75Å; Y21-K86 HydrophobicContact CD1-CG 4.25Å; Y21-K86 HydrophobicContact CD2-CB 3.66Å; Y21-K86 HydrophobicContact CD2-CD 4.17Å; Y21-K86 HydrophobicContact CD2-CG 3.75Å; Y21-K86 HydrophobicContact CE1-CD 3.9Å; Y21-K86 HydrophobicContact CE1-CG 4.33Å; Y21-K86 HydrophobicContact CE2-CB 4.21Å; Y21-K86 HydrophobicContact CE2-CD 4.31Å; Y21-K86 HydrophobicContact CE2-CG 3.83Å; Y21-K86 HydrophobicContact CG-CB 3.87Å; Y21-K86 HydrophobicContact CG-CD 3.88Å; Y21-K86 HydrophobicContact CG-CG 3.96Å; G84-K86 PolarHBondContact O-N 3.28Å; G84-K86 VanDerWaalsContact O-N 3.14Å; K86-F88 PolarHBondContact O-N 3.38Å; K86-D89 WeakPolarHBondContact CG-OD2 3.38Å; K86-D89 VanDerWaalsContact O-CB 3.27Å; K86-D89 WeakPolarHBondContact O-CB 3.48Å; K86-D89 PolarHBondContact O-N 3.35Å; K86-D89 VanDerWaalsContact O-N 3.08Å; K86-W112 HydrophobicContact CB-CZ2 4.49Å; K86-W112 HydrophobicContact CD-CZ2 4.33Å; K86-W112 HydrophobicContact CG-CZ2 4.28Å
87H96.9Very high95Very high4 Ų436.2 Ų36.22%0.01919%0.188CC..G310 helixtrans-66.3-17.2171.9-68.1104.1000114Y21 S22 C35 W38 G84 F85 L91Y21-H87 WeakPolarHBondContact CA-CE1 3.43Å; Y21-H87 AromaticContact CD2-CD2 3.77Å; Y21-H87 AromaticContact CD2-CG 3.78Å; Y21-H87 AromaticContact CD2-ND1 3.9Å; Y21-H87 AromaticContact CD2-NE2 3.9Å; S22-H87 PolarHBondContact N-NE2 3.25Å; C35-H87 HydrophobicContact CB-CB 4.02Å; W38-H87 AromaticContact CD1-CE1 3.54Å; W38-H87 AromaticContact CD1-ND1 3.79Å; W38-H87 HydrophobicContact CD2-CB 4.4Å; W38-H87 AromaticContact CD2-CE1 3.97Å; W38-H87 AromaticContact CD2-ND1 3.48Å; W38-H87 AromaticContact CE2-ND1 3.94Å; W38-H87 HydrophobicContact CE3-CB 3.99Å; W38-H87 AromaticContact CE3-ND1 3.95Å; W38-H87 AromaticContact CG-CE1 3.38Å; W38-H87 AromaticContact CG-ND1 3.41Å; G84-H87 PolarHBondContact O-N 3.1Å; G84-H87 PolarHBondContact O-ND1 3.49Å; F85-H87 PolarHBondContact O-N 3.44Å; H87-L91 WeakPolarHBondContact O-CD1 3.25Å
88F97.8Very high95.1Very high0 Ų031.8 Ų31.80%016%0.164CC..G310 helixtrans-78.5-10.6172.5-70.1-74.2000112.9W38 L39 V73 F85 K86 H90 L91 I97 L113 L117W38-F88 AromaticContact CH2-CE2 3.93Å; W38-F88 HydrophobicContact CH2-CE2 3.93Å; W38-F88 HydrophobicContact CZ3-CD2 4.32Å; W38-F88 AromaticContact CZ3-CE2 3.62Å; W38-F88 HydrophobicContact CZ3-CE2 3.62Å; W38-F88 HydrophobicContact CZ3-CZ 4.04Å; L39-F88 HydrophobicContact CD2-CZ 4.29Å; V73-F88 HydrophobicContact CG1-CZ 4.17Å; V73-F88 HydrophobicContact CG2-CE1 4.01Å; V73-F88 HydrophobicContact CG2-CZ 4.47Å; F85-F88 HydrophobicContact CB-CD2 4.19Å; F85-F88 AromaticContact CD1-CD2 3.92Å; F85-F88 HydrophobicContact CD1-CD2 3.92Å; F85-F88 AromaticContact CD1-CE2 3.64Å; F85-F88 HydrophobicContact CD1-CE2 3.64Å; F85-F88 HydrophobicContact CE1-CE2 4.14Å; F85-F88 HydrophobicContact CG-CD2 4.43Å; F85-F88 WeakPolarHBondContact O-CB 3.42Å; F85-F88 WeakPolarHBondContact O-CD2 3.27Å; F85-F88 PolarHBondContact O-N 3.22Å; K86-F88 PolarHBondContact O-N 3.38Å; F88-H90 PolarHBondContact O-N 2.97Å; F88-L91 HydrophobicContact CD1-CD2 3.92Å; F88-L91 HydrophobicContact CE1-CD2 4.47Å; F88-L91 WeakPolarHBondContact O-CB 3.46Å; F88-L91 PolarHBondContact O-N 3.44Å; F88-I97 HydrophobicContact CE1-CD1 4Å; F88-I97 HydrophobicContact CZ-CD1 4.07Å; F88-L113 HydrophobicContact CB-CD1 4.37Å; F88-L113 HydrophobicContact CD1-CD1 4.4Å; F88-L113 HydrophobicContact CD2-CD1 3.26Å; F88-L113 HydrophobicContact CE2-CD1 3.47Å; F88-L113 VanDerWaalsContact CE2-CD1 3.47Å; F88-L113 HydrophobicContact CG-CD1 3.77Å; F88-L113 HydrophobicContact CZ-CD1 4.14Å; F88-L117 HydrophobicContact CB-CD2 4.2Å; F88-L117 HydrophobicContact CB-CG 4.39Å; F88-L117 HydrophobicContact CD1-CD1 4.2Å; F88-L117 HydrophobicContact CD1-CD2 4.38Å; F88-L117 HydrophobicContact CG-CD1 4.47Å
89D95Very high95.3Very high41 Ų4131.6 Ų31.622%0.21916%0.162CC..THydrogen-bonded Turntrans-57.9130.8173.2-69.8-7.6000109.1K86 L91 W112 S116K86-D89 WeakPolarHBondContact CG-OD2 3.38Å; K86-D89 VanDerWaalsContact O-CB 3.27Å; K86-D89 WeakPolarHBondContact O-CB 3.48Å; K86-D89 PolarHBondContact O-N 3.35Å; K86-D89 VanDerWaalsContact O-N 3.08Å; D89-L91 VanDerWaalsContact C-N 3.28Å; D89-L91 PolarHBondContact O-N 3.21Å; D89-W112 PolarHBondContact OD1-NE1 2.72Å; D89-S116 PolarHBondContact OD1-OG 3.46Å
90H93.3Very high95.6Very high139 Ų13930.4 Ų30.464%0.64415%0.154SC*.THydrogen-bonded Turntrans72.92-177.5-42.4-75.6000116.6P31 F88 K92P31-H90 HydrophobicContact CB-CB 4.49Å; P31-H90 HydrophobicContact CG-CB 4.44Å; F88-H90 PolarHBondContact O-N 2.97Å; H90-K92 PolarHBondContact O-N 3.28Å
91L97.1Very high95.7Very high0 Ų034.7 Ų34.70%017%0.174CC..  trans-81.483.9172.7-83.460.8000110.5P31 C35 I70 H87 F88 D89 S93 V94 L117P31-L91 HydrophobicContact CB-CD1 3.91Å; C35-L91 HydrophobicContact CB-CD1 4.4Å; C35-L91 HydrophobicContact CB-CD2 3.71Å; C35-L91 VanDerWaalsContact SG-CD2 3.5Å; I70-L91 HydrophobicContact CD1-CD2 4.11Å; H87-L91 WeakPolarHBondContact O-CD1 3.25Å; F88-L91 HydrophobicContact CD1-CD2 3.92Å; F88-L91 HydrophobicContact CE1-CD2 4.47Å; F88-L91 WeakPolarHBondContact O-CB 3.46Å; F88-L91 PolarHBondContact O-N 3.44Å; D89-L91 VanDerWaalsContact C-N 3.28Å; D89-L91 PolarHBondContact O-N 3.21Å; L91-S93 VanDerWaalsContact C-N 3.27Å; L91-S93 PolarHBondContact O-N 3.06Å; L91-V94 HydrophobicContact CB-CG2 3.97Å; L91-V94 HydrophobicContact CD2-CG2 4.18Å; L91-L117 HydrophobicContact CB-CD2 4.49Å; L91-L117 WeakPolarHBondContact O-CD2 2.81Å
92K95.6Very high95.9Very high135 Ų13534.6 Ų34.659%0.58717%0.173SC*.THydrogen-bonded Turntrans-81.1-4.4-177.2-56.2-52.6179.3-168.10114.7H90 S120H90-K92 PolarHBondContact O-N 3.28Å; K92-S120 WeakPolarHBondContact O-CB 3.42Å
93S97.7Very high96Very high21 Ų2136.1 Ų36.115%0.14719%0.188CC..THydrogen-bonded Turntrans-94.4-13.7-177.753.10000114.1Q32 I70 L91 K95Q32-S93 PolarHBondContact NE2-OG 3.12Å; Q32-S93 VanDerWaalsContact NE2-OG 3.07Å; I70-S93 CarbonylContact O-C 3.54Å; I70-S93 VanDerWaalsContact O-C 3.26Å; I70-S93 VanDerWaalsContact O-CB 3.27Å; I70-S93 WeakPolarHBondContact O-CB 3.41Å; I70-S93 PolarHBondContact O-OG 2.99Å; L91-S93 VanDerWaalsContact C-N 3.27Å; L91-S93 PolarHBondContact O-N 3.06Å; S93-K95 PolarHBondContact O-N 2.91Å
94V98.7Very high96Very high0 Ų035.8 Ų35.80%018%0.177CC..  trans-73116.9-175.6179.20000110.1I70 E71 L91 I97 L117 S120 L121I70-V94 HydrophobicContact CB-CG2 4.35Å; I70-V94 HydrophobicContact CG2-CG2 4.03Å; I70-V94 PolarHBondContact O-N 3.03Å; E71-V94 CarbonylContact O-C 3.49Å; E71-V94 WeakPolarHBondContact O-CA 3.38Å; L91-V94 HydrophobicContact CB-CG2 3.97Å; L91-V94 HydrophobicContact CD2-CG2 4.18Å; V94-I97 HydrophobicContact CG1-CD1 4.16Å; V94-I97 HydrophobicContact CG1-CG1 3.82Å; V94-L117 HydrophobicContact CB-CD1 4.41Å; V94-L117 HydrophobicContact CB-CD2 4.03Å; V94-L117 HydrophobicContact CG1-CD1 4.02Å; V94-L117 HydrophobicContact CG2-CD2 4.44Å; V94-S120 CarbonylContact O-C 3.55Å; V94-S120 WeakPolarHBondContact O-CB 3.35Å; V94-S120 PolarHBondContact O-OG 3.14Å; V94-L121 HydrophobicContact CG1-CD1 4.13Å; V94-L121 PolarHBondContact O-N 3.1Å
95K98.6Very high96Very high71 Ų7135.8 Ų35.831%0.30918%0.177SC..  trans-106.3-26.9-179.2-64.8176.2-168.3158.30112.8E71 S93 E122 T123E71-K95 HydrophobicContact CG-CB 4.34Å; E71-K95 HydrophobicContact CG-CD 3.99Å; E71-K95 HydrophobicContact CG-CG 4.3Å; E71-K95 PolarHBondContact O-N 3.16Å; E71-K95 IonicContact OE1-NZ 2.73Å; E71-K95 PolarHBondContact OE1-NZ 3.15Å; S93-K95 PolarHBondContact O-N 2.91Å; K95-E122 HydrophobicContact CB-CG 4.29Å; K95-E122 HydrophobicContact CG-CG 4.45Å; K95-E122 WeakPolarHBondContact O-CA 3.46Å; K95-E122 PolarHBondContact O-N 3.38Å; K95-T123 PolarHBondContact O-N 2.92Å
96A98.7Very high95.9Very high11 Ų1137.7 Ų37.79%0.09119%0.188CC..EExtended strand (participates in β ladder)trans-134.1137.2-178.900000112.3E71 E72 V73 T123E71-A96 PolarHBondContact O-N 3.16Å; E72-A96 CarbonylContact C-O 3.52Å; E72-A96 WeakPolarHBondContact CA-O 3.39Å; E72-A96 HydrophobicContact CB-CB 4.04Å; E72-A96 HydrophobicContact CG-CB 3.76Å; V73-A96 PolarHBondContact N-O 2.99Å; A96-T123 WeakPolarHBondContact CA-O 3.13Å
97I98.6Very high96Very high0 Ų035.8 Ų35.80%018%0.181CC..EExtended strand (participates in β ladder)trans-134133.5172-76.2-162.9000110.6V73 L75 F88 V94 L113 L117 L121 T123 I124 E125V73-I97 HydrophobicContact CB-CG1 4.22Å; V73-I97 WeakPolarHBondContact O-CA 3.44Å; L75-I97 HydrophobicContact CD1-CG2 4.27Å; F88-I97 HydrophobicContact CE1-CD1 4Å; F88-I97 HydrophobicContact CZ-CD1 4.07Å; V94-I97 HydrophobicContact CG1-CD1 4.16Å; V94-I97 HydrophobicContact CG1-CG1 3.82Å; I97-L113 HydrophobicContact CD1-CD1 3.7Å; I97-L113 HydrophobicContact CD1-CD2 4.15Å; I97-L113 HydrophobicContact CD1-CG 4.18Å; I97-L113 HydrophobicContact CG2-CD2 4.21Å; I97-L117 HydrophobicContact CD1-CD1 3.29Å; I97-L117 HydrophobicContact CG1-CD1 4.21Å; I97-L121 HydrophobicContact CB-CD1 4.12Å; I97-L121 HydrophobicContact CG1-CD1 3.91Å; I97-T123 PolarHBondContact N-O 3.42Å; I97-I124 WeakPolarHBondContact O-CA 3.4Å; I97-E125 PolarHBondContact O-N 3.38Å
98H98.5Very high95.9Very high27 Ų2741.7 Ų41.713%0.12521%0.213CC..EExtended strand (participates in β ladder)trans-114.1112172.1-54.8-89.6000109.6E72 V73 L75 V100 E125E72-H98 IonicContact OE1-CD2 2.67Å; E72-H98 IonicContact OE1-NE2 3.88Å; E72-H98 PolarHBondContact OE1-NE2 3.3Å; V73-H98 PolarHBondContact O-N 2.87Å; L75-H98 WeakPolarHBondContact CA-O 3.44Å; L75-H98 WeakPolarHBondContact CB-O 3.47Å; L75-H98 PolarHBondContact N-O 3.06Å; H98-V100 HydrophobicContact CB-CG2 4.48Å; H98-E125 IonicContact CE1-OE2 3.87Å; H98-E125 IonicContact CG-OE2 3.9Å; H98-E125 IonicContact ND1-OE2 2.61Å; H98-E125 PolarHBondContact ND1-OE2 3.49Å
99C97.5Very high95.8Very high1 Ų141.8 Ų41.81%0.00721%0.214CC..EExtended strand (participates in β ladder)trans-11076.9177.8-171.20000108.5C102 E125 I126 A127 C129C99-C102 PolarHBondContact SG-SG 2.95Å; C99-E125 WeakPolarHBondContact CA-O 3.4Å; C99-E125 WeakPolarHBondContact CB-O 3.43Å; C99-E125 PolarHBondContact N-O 3.01Å; C99-I126 HydrophobicContact CB-CG1 4.4Å; C99-I126 WeakPolarHBondContact O-CA 3.34Å; C99-A127 PolarHBondContact O-N 3.03Å; C99-C129 PolarHBondContact O-SG 3.38Å
100V97.6Very high95.9Very high20 Ų2039.9 Ų39.912%0.12120%0.203CC..EExtended strand (participates in β ladder)trans-111.4131.9-175.7-173.50000109.9T76 D77 H98 C102 E125 A127T76-V100 VanDerWaalsContact CA-O 3.25Å; T76-V100 WeakPolarHBondContact CA-O 3.41Å; T76-V100 HydrophobicContact CG2-CB 4.15Å; T76-V100 HydrophobicContact CG2-CG1 4.37Å; D77-V100 PolarHBondContact N-O 3.35Å; D77-V100 VanDerWaalsContact N-O 3.15Å; H98-V100 HydrophobicContact CB-CG2 4.48Å; V100-C102 PolarHBondContact O-N 2.86Å; V100-C102 VanDerWaalsContact O-N 3.09Å; V100-C102 PolarHBondContact O-SG 2.88Å; V100-E125 HydrophobicContact CG2-CG 4.06Å; V100-A127 CarbonylContact C-O 3.53Å; V100-A127 VanDerWaalsContact CA-O 3.28Å; V100-A127 WeakPolarHBondContact CA-O 3.09Å; V100-A127 HydrophobicContact CG1-CB 4.29Å; V100-A127 HydrophobicContact CG2-CB 4.34Å
101H95.8Very high96.1Very high91 Ų9133.9 Ų33.942%0.42118%0.178SC..SBendtrans57.124.4-178.9-67.1-67000115D77 G103 A127 N128D77-H101 WeakPolarHBondContact OD1-CB 3.28Å; D77-H101 IonicContact OD1-CD2 2.8Å; D77-H101 IonicContact OD1-CG 3.23Å; H101-G103 PolarHBondContact O-N 2.99Å; H101-A127 PolarHBondContact N-O 3.29Å; H101-N128 WeakPolarHBondContact CE1-CB 3.08Å; H101-N128 PolarHBondContact CE1-ND2 3.22Å; H101-N128 WeakPolarHBondContact ND1-CB 3.25Å; H101-N128 PolarHBondContact NE2-ND2 3.41Å
102C93.9Very high96.1Very high0 Ų039.9 Ų39.90%020%0.201CC..  trans-79.792.6179.6-540000111.6L75 C99 V100 W104 V105L75-C102 PolarHBondContact O-SG 3.41Å; C99-C102 PolarHBondContact SG-SG 2.95Å; V100-C102 PolarHBondContact O-N 2.86Å; V100-C102 VanDerWaalsContact O-N 3.09Å; V100-C102 PolarHBondContact O-SG 2.88Å; C102-W104 PolarHBondContact O-N 2.94Å; C102-V105 HydrophobicContact CB-CB 4.13Å; C102-V105 HydrophobicContact CB-CG2 3.64Å; C102-V105 PolarHBondContact O-N 3.46Å
103G90.1Very high96.2Very high41 Ų4133.5 Ų33.542%0.42317%0.173SC..THydrogen-bonded Turntrans-68.9-11.3-173.700000116.8F12 H101F12-G103 WeakPolarHBondContact CE2-O 3.46Å; H101-G103 PolarHBondContact O-N 2.99Å
104W89.9Confident96.2Very high71 Ų7132.6 Ų32.627%0.26917%0.166SC..THydrogen-bonded Turntrans-115.46.1-175.9-59.994000113.7D11 F12 V80 C102D11-W104 HydrophobicContact CB-CH2 4.31Å; D11-W104 VanDerWaalsContact O-CZ3 3.27Å; D11-W104 WeakPolarHBondContact O-CZ3 3.42Å; F12-W104 HydrophobicContact CD2-CE3 4.25Å; F12-W104 VanDerWaalsContact CZ-C 3.48Å; F12-W104 VanDerWaalsContact CZ-O 3.28Å; F12-W104 WeakPolarHBondContact CZ-O 3.48Å; V80-W104 WeakPolarHBondContact O-CB 3.4Å; C102-W104 PolarHBondContact O-N 2.94Å
105V92.9Very high96.1Very high0 Ų038 Ų380%019%0.187CC..  trans-91.6119.6175.8176.90000108.4V80 F85 C102 L110 C131 V132V80-V105 HydrophobicContact CG2-CG2 4.12Å; F85-V105 HydrophobicContact CE2-CG1 3.96Å; F85-V105 HydrophobicContact CE2-CG2 3.93Å; F85-V105 HydrophobicContact CZ-CG1 4.29Å; F85-V105 HydrophobicContact CZ-CG2 3.58Å; C102-V105 HydrophobicContact CB-CB 4.13Å; C102-V105 HydrophobicContact CB-CG2 3.64Å; C102-V105 PolarHBondContact O-N 3.46Å; V105-L110 HydrophobicContact CG1-CB 4.33Å; V105-C131 WeakPolarHBondContact O-CB 3.49Å; V105-V132 HydrophobicContact CG1-CG2 4.13Å
106N94.4Very high96.1Very high41 Ų4135 Ų3522%0.21918%0.175CC..BIsolated β-bridgetrans-110.9-17817364.9-9.3000111.2F12 D108 G109 L110 C131F12-N106 HydrophobicContact CE1-CB 3.62Å; F12-N106 HydrophobicContact CZ-CB 3.62Å; N106-D108 PolarHBondContact O-N 2.86Å; N106-G109 PolarHBondContact O-N 2.76Å; N106-G109 PolarHBondContact OD1-N 2.83Å; N106-L110 WeakPolarHBondContact O-CB 3.28Å; N106-L110 PolarHBondContact O-N 2.93Å; N106-C131 VanDerWaalsContact CA-O 3.31Å; N106-C131 WeakPolarHBondContact CA-O 3.34Å; N106-C131 HydrophobicContact CB-CB 4.3Å
107D97.2Very high96Very high38 Ų3834.5 Ų34.520%0.20317%0.171CC..Hα-helixtrans-54.7-45.9178.5-65.8-21.8000113.2G109 L110 A111 V132 S133 G136D107-G109 PolarHBondContact O-N 3.14Å; D107-L110 PolarHBondContact O-N 3.14Å; D107-A111 WeakPolarHBondContact O-CB 3.39Å; D107-A111 PolarHBondContact O-N 3.24Å; D107-V132 WeakPolarHBondContact OD1-CA 3.34Å; D107-S133 PolarHBondContact OD1-N 3.15Å; D107-S133 PolarHBondContact OD1-OG 2.94Å; D107-S133 WeakPolarHBondContact OD2-CB 3.28Å; D107-S133 PolarHBondContact OD2-OG 3.26Å; D107-G136 VanDerWaalsContact CG-N 3.26Å; D107-G136 VanDerWaalsContact OD1-CA 3.29Å; D107-G136 WeakPolarHBondContact OD1-CA 3.47Å; D107-G136 PolarHBondContact OD1-N 3.45Å
108D95.5Very high95.9Very high127 Ų12736.2 Ų36.268%0.67918%0.18SC*.Hα-helixtrans-63.3-44.1179-63.6-36.9000112.2N106 A111 W112N106-D108 PolarHBondContact O-N 2.86Å; D108-A111 PolarHBondContact O-N 3.25Å; D108-W112 PolarHBondContact O-N 3.26Å
109G94.7Very high95.8Very high2 Ų239.4 Ų39.42%0.02120%0.198CC..Hα-helixtrans-61.5-48.7175.700000111.1G82 F85 N106 D107 A111 W112 L113G82-G109 VanDerWaalsContact CA-CA 3.48Å; F85-G109 WeakPolarHBondContact CD2-O 3.42Å; N106-G109 PolarHBondContact O-N 2.76Å; N106-G109 PolarHBondContact OD1-N 2.83Å; D107-G109 PolarHBondContact O-N 3.14Å; G109-A111 VanDerWaalsContact C-N 3.33Å; G109-A111 PolarHBondContact O-N 2.94Å; G109-W112 WeakPolarHBondContact O-CB 3.15Å; G109-W112 PolarHBondContact O-N 2.86Å; G109-L113 PolarHBondContact O-N 2.82Å
110L97.4Very high95.8Very high1 Ų139.7 Ų39.71%0.00520%0.201CC..Hα-helixtrans-60.4-43.6178.8178.359.6000111.8V105 N106 D107 W112 L113 I114 I126 V132 L137V105-L110 HydrophobicContact CG1-CB 4.33Å; N106-L110 WeakPolarHBondContact O-CB 3.28Å; N106-L110 PolarHBondContact O-N 2.93Å; D107-L110 PolarHBondContact O-N 3.14Å; L110-W112 VanDerWaalsContact C-N 3.35Å; L110-W112 PolarHBondContact O-N 2.56Å; L110-L113 WeakPolarHBondContact O-CB 3.28Å; L110-L113 PolarHBondContact O-N 3.45Å; L110-I114 HydrophobicContact CD1-CD1 3.95Å; L110-I114 HydrophobicContact CD1-CG1 4.24Å; L110-I114 HydrophobicContact CG-CD1 3.8Å; L110-I114 WeakPolarHBondContact O-CD1 3.19Å; L110-I114 VanDerWaalsContact O-CG1 3.28Å; L110-I114 WeakPolarHBondContact O-CG1 3.4Å; L110-I114 PolarHBondContact O-N 2.9Å; L110-I126 HydrophobicContact CD1-CD1 3.59Å; L110-I126 HydrophobicContact CD1-CG1 4.49Å; L110-I126 HydrophobicContact CD2-CD1 3.73Å; L110-I126 HydrophobicContact CG-CD1 4.3Å; L110-V132 HydrophobicContact CD2-CG1 3.63Å; L110-V132 HydrophobicContact CD2-CG2 4.36Å; L110-L137 HydrophobicContact CD2-CD2 3.98Å
111A97.8Very high95.8Very high13 Ų1338.8 Ų38.811%0.10720%0.195CC..Hα-helixtrans-56.5-50.7174.600000110.4D107 D108 G109 L113 I114 Y115D107-A111 WeakPolarHBondContact O-CB 3.39Å; D107-A111 PolarHBondContact O-N 3.24Å; D108-A111 PolarHBondContact O-N 3.25Å; G109-A111 VanDerWaalsContact C-N 3.33Å; G109-A111 PolarHBondContact O-N 2.94Å; A111-L113 VanDerWaalsContact C-N 3.33Å; A111-L113 PolarHBondContact O-N 3.46Å; A111-I114 WeakPolarHBondContact O-CB 3.47Å; A111-I114 PolarHBondContact O-N 3.06Å; A111-I114 VanDerWaalsContact O-N 3.16Å; A111-Y115 HydrophobicContact CB-CD2 4.45Å; A111-Y115 HydrophobicContact CB-CE2 4.48Å; A111-Y115 WeakPolarHBondContact O-CD2 3.26Å; A111-Y115 PolarHBondContact O-N 3.43Å
112W96.7Very high96Very high127 Ų12737 Ų3748%0.48119%0.187SC..Hα-helixtrans-55.1-48.5178.3-161.2-63.9000112K86 D89 D108 G109 L110 I114 Y115 S116K86-W112 HydrophobicContact CB-CZ2 4.49Å; K86-W112 HydrophobicContact CD-CZ2 4.33Å; K86-W112 HydrophobicContact CG-CZ2 4.28Å; D89-W112 PolarHBondContact OD1-NE1 2.72Å; D108-W112 PolarHBondContact O-N 3.26Å; G109-W112 WeakPolarHBondContact O-CB 3.15Å; G109-W112 PolarHBondContact O-N 2.86Å; L110-W112 VanDerWaalsContact C-N 3.35Å; L110-W112 PolarHBondContact O-N 2.56Å; W112-I114 VanDerWaalsContact C-N 3.32Å; W112-I114 PolarHBondContact O-N 3.33Å; W112-Y115 PolarHBondContact O-N 3.36Å; W112-Y115 VanDerWaalsContact O-N 3.15Å; W112-S116 PolarHBondContact O-N 3.4Å; W112-S116 PolarHBondContact O-OG 2.99Å; W112-S116 VanDerWaalsContact O-OG 3.12Å
113L97.5Very high96.2Very high1 Ų138.4 Ų38.41%0.00520%0.195CC..Hα-helixtrans-56.1-46.8178.3-177.564.3000112F85 F88 I97 G109 L110 A111 S116 L117F85-L113 HydrophobicContact CB-CB 4.46Å; F85-L113 HydrophobicContact CD1-CD1 4.19Å; F85-L113 HydrophobicContact CD2-CB 3.9Å; F85-L113 HydrophobicContact CE1-CD2 4.46Å; F85-L113 HydrophobicContact CE2-CB 4.19Å; F85-L113 HydrophobicContact CE2-CD2 4.26Å; F85-L113 HydrophobicContact CG-CB 4.19Å; F85-L113 HydrophobicContact CG-CD1 4.26Å; F85-L113 HydrophobicContact CZ-CD2 4.14Å; F88-L113 HydrophobicContact CB-CD1 4.37Å; F88-L113 HydrophobicContact CD1-CD1 4.4Å; F88-L113 HydrophobicContact CD2-CD1 3.26Å; F88-L113 HydrophobicContact CE2-CD1 3.47Å; F88-L113 VanDerWaalsContact CE2-CD1 3.47Å; F88-L113 HydrophobicContact CG-CD1 3.77Å; F88-L113 HydrophobicContact CZ-CD1 4.14Å; I97-L113 HydrophobicContact CD1-CD1 3.7Å; I97-L113 HydrophobicContact CD1-CD2 4.15Å; I97-L113 HydrophobicContact CD1-CG 4.18Å; I97-L113 HydrophobicContact CG2-CD2 4.21Å; G109-L113 PolarHBondContact O-N 2.82Å; L110-L113 WeakPolarHBondContact O-CB 3.28Å; L110-L113 PolarHBondContact O-N 3.45Å; A111-L113 VanDerWaalsContact C-N 3.33Å; A111-L113 PolarHBondContact O-N 3.46Å; L113-S116 PolarHBondContact O-N 3.12Å; L113-L117 HydrophobicContact CD1-CD1 3.95Å; L113-L117 HydrophobicContact CG-CD1 4.47Å; L113-L117 WeakPolarHBondContact O-CG 3.45Å; L113-L117 PolarHBondContact O-N 3.19Å
114I97.9Very high96.6Very high1 Ų136.5 Ų36.51%0.00518%0.176CC..Hα-helixtrans-60.2-46.7177.4-71164.5000110.3L110 A111 W112 S116 L117 L118 H139 L140 L143L110-I114 HydrophobicContact CD1-CD1 3.95Å; L110-I114 HydrophobicContact CD1-CG1 4.24Å; L110-I114 HydrophobicContact CG-CD1 3.8Å; L110-I114 WeakPolarHBondContact O-CD1 3.19Å; L110-I114 VanDerWaalsContact O-CG1 3.28Å; L110-I114 WeakPolarHBondContact O-CG1 3.4Å; L110-I114 PolarHBondContact O-N 2.9Å; A111-I114 WeakPolarHBondContact O-CB 3.47Å; A111-I114 PolarHBondContact O-N 3.06Å; A111-I114 VanDerWaalsContact O-N 3.16Å; W112-I114 VanDerWaalsContact C-N 3.32Å; W112-I114 PolarHBondContact O-N 3.33Å; I114-S116 PolarHBondContact O-N 3.41Å; I114-L117 CarbonylContact O-C 3.56Å; I114-L117 PolarHBondContact O-N 3.34Å; I114-L118 HydrophobicContact CG2-CD2 4.03Å; I114-L118 WeakPolarHBondContact O-CD2 3.42Å; I114-L118 WeakPolarHBondContact O-CG 3.32Å; I114-L118 PolarHBondContact O-N 2.85Å; I114-H139 HydrophobicContact CD1-CB 3.78Å; I114-H139 HydrophobicContact CG2-CB 4.37Å; I114-H139 WeakPolarHBondContact CG2-O 3.44Å; I114-L140 HydrophobicContact CD1-CD2 3.66Å; I114-L140 HydrophobicContact CD1-CG 3.98Å; I114-L140 HydrophobicContact CG1-CD2 4.1Å; I114-L143 HydrophobicContact CG2-CD2 3.85Å; I114-L143 HydrophobicContact CG2-CG 4.06Å
115Y97.3Very high97Very high113 Ų11335.7 Ų35.744%0.44318%0.175SC..Hα-helixtrans-66.2-35-179.2-79.8-72.6000113.2A111 W112 L117 L118 H139 H142A111-Y115 HydrophobicContact CB-CD2 4.45Å; A111-Y115 HydrophobicContact CB-CE2 4.48Å; A111-Y115 WeakPolarHBondContact O-CD2 3.26Å; A111-Y115 PolarHBondContact O-N 3.43Å; W112-Y115 PolarHBondContact O-N 3.36Å; W112-Y115 VanDerWaalsContact O-N 3.15Å; Y115-L117 VanDerWaalsContact C-N 3.26Å; Y115-L117 PolarHBondContact O-N 3.48Å; Y115-L118 HydrophobicContact CD1-CD1 3.72Å; Y115-L118 HydrophobicContact CD1-CD2 4.25Å; Y115-L118 HydrophobicContact CD1-CG 4.3Å; Y115-L118 HydrophobicContact CE1-CD1 4.37Å; Y115-L118 WeakPolarHBondContact O-CG 3.29Å; Y115-H139 AromaticContact CE2-ND1 3.8Å; Y115-H142 AromaticContact CZ-CD2 3.92Å; Y115-H142 PolarHBondContact OH-CD2 3.33Å; Y115-H142 PolarHBondContact OH-NE2 3.39Å
116S97.3Very high97.3Very high8 Ų835.7 Ų35.76%0.05618%0.175CC..Hα-helixtrans-66-29.4175.6-60.10000112.5D89 W112 L113 I114D89-S116 PolarHBondContact OD1-OG 3.46Å; W112-S116 PolarHBondContact O-N 3.4Å; W112-S116 PolarHBondContact O-OG 2.99Å; W112-S116 VanDerWaalsContact O-OG 3.12Å; L113-S116 PolarHBondContact O-N 3.12Å; I114-S116 PolarHBondContact O-N 3.41Å
117L97.7Very high97.4Very high1 Ų134 Ų341%0.00517%0.166CC..Hα-helixtrans-115.812.6-170.2-56.2179.3000115F88 L91 V94 I97 L113 I114 Y115 N119 S120 L121F88-L117 HydrophobicContact CB-CD2 4.2Å; F88-L117 HydrophobicContact CB-CG 4.39Å; F88-L117 HydrophobicContact CD1-CD1 4.2Å; F88-L117 HydrophobicContact CD1-CD2 4.38Å; F88-L117 HydrophobicContact CG-CD1 4.47Å; L91-L117 HydrophobicContact CB-CD2 4.49Å; L91-L117 WeakPolarHBondContact O-CD2 2.81Å; V94-L117 HydrophobicContact CB-CD1 4.41Å; V94-L117 HydrophobicContact CB-CD2 4.03Å; V94-L117 HydrophobicContact CG1-CD1 4.02Å; V94-L117 HydrophobicContact CG2-CD2 4.44Å; I97-L117 HydrophobicContact CD1-CD1 3.29Å; I97-L117 HydrophobicContact CG1-CD1 4.21Å; L113-L117 HydrophobicContact CD1-CD1 3.95Å; L113-L117 HydrophobicContact CG-CD1 4.47Å; L113-L117 WeakPolarHBondContact O-CG 3.45Å; L113-L117 PolarHBondContact O-N 3.19Å; I114-L117 CarbonylContact O-C 3.56Å; I114-L117 PolarHBondContact O-N 3.34Å; Y115-L117 VanDerWaalsContact C-N 3.26Å; Y115-L117 PolarHBondContact O-N 3.48Å; L117-N119 PolarHBondContact O-N 3.46Å; L117-S120 PolarHBondContact O-N 3.29Å; L117-S120 VanDerWaalsContact O-N 3.1Å; L117-S120 PolarHBondContact O-OG 2.99Å; L117-L121 HydrophobicContact CB-CB 4.1Å; L117-L121 HydrophobicContact CD1-CD1 4.24Å; L117-L121 PolarHBondContact O-N 2.87Å
118L96.2Very high97.4Very high37 Ų3734.2 Ų34.219%0.19417%0.168CC..THydrogen-bonded Turntrans-46.5-35-175.3-70.4172.2000115.8I114 Y115 H142 L143 T144I114-L118 HydrophobicContact CG2-CD2 4.03Å; I114-L118 WeakPolarHBondContact O-CD2 3.42Å; I114-L118 WeakPolarHBondContact O-CG 3.32Å; I114-L118 PolarHBondContact O-N 2.85Å; Y115-L118 HydrophobicContact CD1-CD1 3.72Å; Y115-L118 HydrophobicContact CD1-CD2 4.25Å; Y115-L118 HydrophobicContact CD1-CG 4.3Å; Y115-L118 HydrophobicContact CE1-CD1 4.37Å; Y115-L118 WeakPolarHBondContact O-CG 3.29Å; L118-H142 HydrophobicContact CD2-CB 3.61Å; L118-H142 WeakPolarHBondContact CD2-O 3.37Å; L118-L143 HydrophobicContact CD2-CD2 4.5Å; L118-T144 PolarHBondContact O-N 3.49Å; L118-T144 PolarHBondContact O-OG1 2.97Å
119N96.2Very high97.4Very high93 Ų9328.2 Ų28.250%0.49714%0.135SC..THydrogen-bonded Turntrans-109.97.4-169-60.9-35.2000113.6L117 T144 K145L117-N119 PolarHBondContact O-N 3.46Å; N119-T144 PolarHBondContact OD1-OG1 3.25Å; N119-T144 VanDerWaalsContact OD1-OG1 3.13Å; N119-K145 WeakPolarHBondContact O-CD 3.48Å; N119-K145 WeakPolarHBondContact O-CE 3.22Å; N119-K145 PolarHBondContact O-NZ 3.42Å
120S98Very high97.3Very high8 Ų829.6 Ų29.66%0.05615%0.15CC..THydrogen-bonded Turntrans-130.5-33.2-179.2650000113.4K92 V94 L117 E122K92-S120 WeakPolarHBondContact O-CB 3.42Å; V94-S120 CarbonylContact O-C 3.55Å; V94-S120 WeakPolarHBondContact O-CB 3.35Å; V94-S120 PolarHBondContact O-OG 3.14Å; L117-S120 PolarHBondContact O-N 3.29Å; L117-S120 VanDerWaalsContact O-N 3.1Å; L117-S120 PolarHBondContact O-OG 2.99Å; S120-E122 PolarHBondContact O-N 2.97Å
121L98.4Very high97.2Very high0 Ų031.2 Ų31.20%016%0.161CC..  trans-69.3124.7-173.1-158.267.2000111.8V94 I97 L117 I124 L143 K145 V146V94-L121 HydrophobicContact CG1-CD1 4.13Å; V94-L121 PolarHBondContact O-N 3.1Å; I97-L121 HydrophobicContact CB-CD1 4.12Å; I97-L121 HydrophobicContact CG1-CD1 3.91Å; L117-L121 HydrophobicContact CB-CB 4.1Å; L117-L121 HydrophobicContact CD1-CD1 4.24Å; L117-L121 PolarHBondContact O-N 2.87Å; L121-I124 HydrophobicContact CD2-CB 3.87Å; L121-I124 HydrophobicContact CD2-CD1 3.92Å; L121-I124 HydrophobicContact CD2-CG1 4.29Å; L121-L143 HydrophobicContact CB-CD2 4.18Å; L121-L143 HydrophobicContact CD2-CD1 4.07Å; L121-L143 HydrophobicContact CD2-CD2 4.14Å; L121-K145 CarbonylContact O-C 3.6Å; L121-K145 VanDerWaalsContact O-C 3.26Å; L121-V146 WeakPolarHBondContact O-CA 3.38Å; L121-V146 PolarHBondContact O-N 2.79Å
122E98.6Very high97.1Very high55 Ų5530.6 Ų30.626%0.25716%0.156SC..  trans-106.5-35.3178.4-57.6-165.3179.300111.7K95 S120 K147 Q148K95-E122 HydrophobicContact CB-CG 4.29Å; K95-E122 HydrophobicContact CG-CG 4.45Å; K95-E122 WeakPolarHBondContact O-CA 3.46Å; K95-E122 PolarHBondContact O-N 3.38Å; S120-E122 PolarHBondContact O-N 2.97Å; E122-K147 HydrophobicContact CB-CD 4.47Å; E122-K147 VanDerWaalsContact CD-NZ 3.33Å; E122-K147 PolarHBondContact O-N 3.44Å; E122-K147 IonicContact OE1-NZ 3.53Å; E122-K147 WeakPolarHBondContact OE2-CE 3.21Å; E122-K147 IonicContact OE2-NZ 2.73Å; E122-K147 PolarHBondContact OE2-NZ 3.23Å; E122-Q148 PolarHBondContact O-N 3.3Å
123T98.7Very high97.1Very high29 Ų2925.4 Ų25.418%0.17814%0.139CC..EExtended strand (participates in β ladder)trans-128.5130.9-179.3-58.90000109.8K95 A96 I97 Q148K95-T123 PolarHBondContact O-N 2.92Å; A96-T123 WeakPolarHBondContact CA-O 3.13Å; I97-T123 PolarHBondContact N-O 3.42Å; T123-Q148 WeakPolarHBondContact CA-O 3.32Å; T123-Q148 HydrophobicContact CG2-CB 4.33Å
124I98.7Very high97Very high1 Ų125.9 Ų25.91%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-133.8132.8170-172.7165.6000110.4I97 L121 I126 L140 L143 V146 Q148 I149 R150I97-I124 WeakPolarHBondContact O-CA 3.4Å; L121-I124 HydrophobicContact CD2-CB 3.87Å; L121-I124 HydrophobicContact CD2-CD1 3.92Å; L121-I124 HydrophobicContact CD2-CG1 4.29Å; I124-I126 HydrophobicContact CD1-CD1 4.02Å; I124-I126 HydrophobicContact CD1-CG1 4.18Å; I124-I126 HydrophobicContact CG1-CD1 4.3Å; I124-I126 HydrophobicContact CG1-CG1 3.99Å; I124-L140 HydrophobicContact CD1-CD2 3.83Å; I124-L140 HydrophobicContact CG2-CD2 3.89Å; I124-L143 HydrophobicContact CG2-CD1 4.13Å; I124-V146 HydrophobicContact CG2-CG2 4.37Å; I124-Q148 PolarHBondContact N-O 3.25Å; I124-I149 HydrophobicContact CG2-CB 4.39Å; I124-I149 HydrophobicContact CG2-CG1 3.79Å; I124-I149 HydrophobicContact CG2-CG2 4.48Å; I124-I149 WeakPolarHBondContact O-CA 3.43Å; I124-R150 PolarHBondContact O-N 3.29Å
125E98.7Very high96.9Very high53 Ų5328.5 Ų28.525%0.24817%0.166CC..EExtended strand (participates in β ladder)trans-118.2129.9171.6177.9168-147.600109.7I97 H98 C99 V100 R150I97-E125 PolarHBondContact O-N 3.38Å; H98-E125 IonicContact CE1-OE2 3.87Å; H98-E125 IonicContact CG-OE2 3.9Å; H98-E125 IonicContact ND1-OE2 2.61Å; H98-E125 PolarHBondContact ND1-OE2 3.49Å; C99-E125 WeakPolarHBondContact CA-O 3.4Å; C99-E125 WeakPolarHBondContact CB-O 3.43Å; C99-E125 PolarHBondContact N-O 3.01Å; V100-E125 HydrophobicContact CG2-CG 4.06Å; E125-R150 CarbonylContact C-O 3.59Å; E125-R150 VanDerWaalsContact CA-O 3.29Å; E125-R150 WeakPolarHBondContact CA-O 3.37Å; E125-R150 HydrophobicContact CB-CB 4.16Å; E125-R150 HydrophobicContact CG-CB 4.06Å
126I98.3Very high96.9Very high0 Ų023.1 Ų23.10%015%0.145CC..EExtended strand (participates in β ladder)trans-132.2106.9176.1-50.6171.7000107.1C99 L110 I124 C129 L137 L140 R150 L151 G152 L154C99-I126 HydrophobicContact CB-CG1 4.4Å; C99-I126 WeakPolarHBondContact O-CA 3.34Å; L110-I126 HydrophobicContact CD1-CD1 3.59Å; L110-I126 HydrophobicContact CD1-CG1 4.49Å; L110-I126 HydrophobicContact CD2-CD1 3.73Å; L110-I126 HydrophobicContact CG-CD1 4.3Å; I124-I126 HydrophobicContact CD1-CD1 4.02Å; I124-I126 HydrophobicContact CD1-CG1 4.18Å; I124-I126 HydrophobicContact CG1-CD1 4.3Å; I124-I126 HydrophobicContact CG1-CG1 3.99Å; I126-C129 HydrophobicContact CG2-CB 4.3Å; I126-L137 HydrophobicContact CD1-CD2 3.76Å; I126-L140 HydrophobicContact CD1-CD1 4.3Å; I126-L140 HydrophobicContact CD1-CD2 4.25Å; I126-R150 PolarHBondContact N-O 3.23Å; I126-L151 HydrophobicContact CB-CD2 3.93Å; I126-L151 HydrophobicContact CD1-CD2 4.17Å; I126-L151 HydrophobicContact CG1-CD2 4.32Å; I126-L151 WeakPolarHBondContact O-CA 3.26Å; I126-G152 PolarHBondContact O-N 3.14Å; I126-L154 HydrophobicContact CG2-CD1 4.47Å; I126-L154 HydrophobicContact CG2-CD2 4.09Å
127A97.4Very high97Very high6 Ų622.8 Ų22.85%0.0514%0.142CC..EExtended strand (participates in β ladder)trans-137.7147.8-178.300000112.8C99 V100 H101 C129 G152C99-A127 PolarHBondContact O-N 3.03Å; V100-A127 CarbonylContact C-O 3.53Å; V100-A127 VanDerWaalsContact CA-O 3.28Å; V100-A127 WeakPolarHBondContact CA-O 3.09Å; V100-A127 HydrophobicContact CG1-CB 4.29Å; V100-A127 HydrophobicContact CG2-CB 4.34Å; H101-A127 PolarHBondContact N-O 3.29Å; A127-C129 PolarHBondContact O-N 2.98Å; A127-C129 PolarHBondContact O-SG 2.89Å; A127-C129 VanDerWaalsContact O-SG 3.4Å; A127-G152 CarbonylContact C-O 3.57Å; A127-G152 WeakPolarHBondContact CA-O 3.11Å
128N96Very high97Very high43 Ų4324.7 Ų24.723%0.2315%0.154CC..SBendtrans55.327.9175.9-54.3-66.7000114.1H101 G152 N153H101-N128 WeakPolarHBondContact CE1-CB 3.08Å; H101-N128 PolarHBondContact CE1-ND2 3.22Å; H101-N128 WeakPolarHBondContact ND1-CB 3.25Å; H101-N128 PolarHBondContact NE2-ND2 3.41Å; N128-G152 PolarHBondContact N-O 2.78Å; N128-N153 VanDerWaalsContact CA-O 3.29Å; N128-N153 WeakPolarHBondContact CA-O 3.36Å; N128-N153 PolarHBondContact N-O 3.08Å; N128-N153 WeakPolarHBondContact OD1-CB 3.49Å; N128-N153 PolarHBondContact OD1-ND2 2.87Å
129C95.2Very high97.1Very high0 Ų025.4 Ų25.40%016%0.156CC..  trans-93.7105.9178.6-690000109.8C99 I126 A127 C131 V132 L154C99-C129 PolarHBondContact O-SG 3.38Å; I126-C129 HydrophobicContact CG2-CB 4.3Å; A127-C129 PolarHBondContact O-N 2.98Å; A127-C129 PolarHBondContact O-SG 2.89Å; A127-C129 VanDerWaalsContact O-SG 3.4Å; C129-C131 VanDerWaalsContact C-N 3.26Å; C129-C131 PolarHBondContact O-N 2.94Å; C129-V132 HydrophobicContact CB-CB 4.22Å; C129-V132 HydrophobicContact CB-CG2 3.87Å; C129-L154 HydrophobicContact CB-CD2 3.9Å
130G93.4Very high97.2Very high31 Ų3121 Ų2132%0.3213%0.132SC..THydrogen-bonded Turntrans-75-4.9-170.900000116.4L156G130-L156 VanDerWaalsContact O-CD1 3.28Å; G130-L156 WeakPolarHBondContact O-CD1 3.17Å; G130-L156 WeakPolarHBondContact O-CG 3.28Å
131C94.8Very high97.2Very high35 Ų3522.8 Ų22.824%0.23614%0.14CC..BIsolated β-bridgetrans-120.77.7-177-64.40000113.2F12 V105 N106 C129F12-C131 HydrophobicContact CE2-CB 3.65Å; F12-C131 WeakPolarHBondContact CE2-SG 3.32Å; F12-C131 HydrophobicContact CZ-CB 3.84Å; V105-C131 WeakPolarHBondContact O-CB 3.49Å; N106-C131 VanDerWaalsContact CA-O 3.31Å; N106-C131 WeakPolarHBondContact CA-O 3.34Å; N106-C131 HydrophobicContact CB-CB 4.3Å; C129-C131 VanDerWaalsContact C-N 3.26Å; C129-C131 PolarHBondContact O-N 2.94Å
132V96.5Very high97.1Very high0 Ų026.2 Ų26.20%016%0.156CC..  trans-100.4124.6175.6174.30000109.2V105 D107 L110 C129 L137V105-V132 HydrophobicContact CG1-CG2 4.13Å; D107-V132 WeakPolarHBondContact OD1-CA 3.34Å; L110-V132 HydrophobicContact CD2-CG1 3.63Å; L110-V132 HydrophobicContact CD2-CG2 4.36Å; C129-V132 HydrophobicContact CB-CB 4.22Å; C129-V132 HydrophobicContact CB-CG2 3.87Å; V132-L137 HydrophobicContact CG1-CD1 4.41Å; V132-L137 HydrophobicContact CG1-CD2 3.79Å; V132-L137 HydrophobicContact CG1-CG 3.78Å
133S96.3Very high97.1Very high18 Ų1823.6 Ų23.613%0.12614%0.144CC..BIsolated β-bridgetrans-109.9179.9178.484.20000111.6D107 A135 G136 L137D107-S133 PolarHBondContact OD1-N 3.15Å; D107-S133 PolarHBondContact OD1-OG 2.94Å; D107-S133 WeakPolarHBondContact OD2-CB 3.28Å; D107-S133 PolarHBondContact OD2-OG 3.26Å; S133-A135 PolarHBondContact O-N 3.4Å; S133-A135 WeakPolarHBondContact OG-CB 3.36Å; S133-A135 PolarHBondContact OG-N 2.96Å; S133-A135 VanDerWaalsContact OG-N 3.14Å; S133-G136 PolarHBondContact O-N 3.48Å; S133-L137 WeakPolarHBondContact O-CG 3.13Å; S133-L137 PolarHBondContact O-N 2.65Å
134G96.3Very high96.9Very high11 Ų1125.9 Ų25.911%0.11316%0.158CC..Hα-helixtrans-57.4-30.6173.400000113L137 V138G134-L137 PolarHBondContact O-N 3.3Å; G134-V138 PolarHBondContact O-N 2.96Å; G134-V138 VanDerWaalsContact O-N 3.08Å
135A95.8Very high96.9Very high57 Ų5731.2 Ų31.247%0.47118%0.181SC..Hα-helixtrans-67-40179.100000112.6S133 V138S133-A135 PolarHBondContact O-N 3.4Å; S133-A135 WeakPolarHBondContact OG-CB 3.36Å; S133-A135 PolarHBondContact OG-N 2.96Å; S133-A135 VanDerWaalsContact OG-N 3.14Å; A135-V138 VanDerWaalsContact O-CG1 3.28Å; A135-V138 WeakPolarHBondContact O-CG1 3.39Å
136G97.2Very high96.9Very high0 Ų028.8 Ų28.80%017%0.169CC..Hα-helixtrans-70.1-40.3174.300000112.4D107 S133 V138 H139D107-G136 VanDerWaalsContact CG-N 3.26Å; D107-G136 VanDerWaalsContact OD1-CA 3.29Å; D107-G136 WeakPolarHBondContact OD1-CA 3.47Å; D107-G136 PolarHBondContact OD1-N 3.45Å; S133-G136 PolarHBondContact O-N 3.48Å; G136-V138 VanDerWaalsContact C-N 3.32Å; G136-V138 PolarHBondContact O-N 3.18Å; G136-H139 PolarHBondContact O-CD2 3.4Å; G136-H139 PolarHBondContact O-N 3.03Å
137L98.5Very high96.9Very high0 Ų034.2 Ų34.20%019%0.193CC..Hα-helixtrans-68.5-28-177.3-65.4169.7000113.5L110 I126 V132 S133 G134 H139 L140 L151 L154 V157 L165L110-L137 HydrophobicContact CD2-CD2 3.98Å; I126-L137 HydrophobicContact CD1-CD2 3.76Å; V132-L137 HydrophobicContact CG1-CD1 4.41Å; V132-L137 HydrophobicContact CG1-CD2 3.79Å; V132-L137 HydrophobicContact CG1-CG 3.78Å; S133-L137 WeakPolarHBondContact O-CG 3.13Å; S133-L137 PolarHBondContact O-N 2.65Å; G134-L137 PolarHBondContact O-N 3.3Å; L137-H139 PolarHBondContact O-N 2.61Å; L137-H139 VanDerWaalsContact O-N 3.12Å; L137-L140 HydrophobicContact CB-CD1 4.37Å; L137-L140 HydrophobicContact CD2-CD1 4.02Å; L137-L140 VanDerWaalsContact O-CB 3.26Å; L137-L140 WeakPolarHBondContact O-CB 3.17Å; L137-L140 WeakPolarHBondContact O-CD1 3.36Å; L137-L140 WeakPolarHBondContact O-CG 3.17Å; L137-L140 PolarHBondContact O-N 2.98Å; L137-L151 HydrophobicContact CD1-CD1 4.45Å; L137-L151 HydrophobicContact CD2-CD1 4.47Å; L137-L151 HydrophobicContact CD2-CD2 3.73Å; L137-L154 HydrophobicContact CD1-CD1 3.58Å; L137-L154 HydrophobicContact CD2-CD1 4.05Å; L137-L154 HydrophobicContact CG-CD1 4.37Å; L137-V157 HydrophobicContact CD1-CG2 3.62Å; L137-L165 HydrophobicContact CB-CD1 3.71Å; L137-L165 HydrophobicContact CB-CD2 3.56Å; L137-L165 HydrophobicContact CB-CG 4.29Å; L137-L165 HydrophobicContact CD1-CD2 3.48Å; L137-L165 VanDerWaalsContact CD1-CD2 3.48Å; L137-L165 HydrophobicContact CG-CD2 4.16Å
138V97.7Very high96.9Very high42 Ų4236.3 Ų36.326%0.25520%0.202SC..G310 helixtrans-59.3-27.5-179.9840000111.9G134 A135 G136 L140 Q141 L165 V168G134-V138 PolarHBondContact O-N 2.96Å; G134-V138 VanDerWaalsContact O-N 3.08Å; A135-V138 VanDerWaalsContact O-CG1 3.28Å; A135-V138 WeakPolarHBondContact O-CG1 3.39Å; G136-V138 VanDerWaalsContact C-N 3.32Å; G136-V138 PolarHBondContact O-N 3.18Å; V138-L140 PolarHBondContact O-N 3.06Å; V138-L140 VanDerWaalsContact O-N 3.16Å; V138-Q141 WeakPolarHBondContact O-CB 3.43Å; V138-Q141 WeakPolarHBondContact O-CG 3.29Å; V138-Q141 PolarHBondContact O-N 3.29Å; V138-Q141 PolarHBondContact O-NE2 2.96Å; V138-L165 HydrophobicContact CB-CD1 4.4Å; V138-V168 HydrophobicContact CG2-CG1 3.98Å
139H98.2Very high97Very high51 Ų5134.2 Ų34.224%0.23619%0.191CC..G310 helixtrans-63.5-20.1178.1-68.7-62.3000113.6I114 Y115 G136 L137 Q141 H142I114-H139 HydrophobicContact CD1-CB 3.78Å; I114-H139 HydrophobicContact CG2-CB 4.37Å; I114-H139 WeakPolarHBondContact CG2-O 3.44Å; Y115-H139 AromaticContact CE2-ND1 3.8Å; G136-H139 PolarHBondContact O-CD2 3.4Å; G136-H139 PolarHBondContact O-N 3.03Å; L137-H139 PolarHBondContact O-N 2.61Å; L137-H139 VanDerWaalsContact O-N 3.12Å; H139-Q141 PolarHBondContact O-N 3.05Å; H139-H142 AromaticContact ND1-CD2 3.97Å; H139-H142 AromaticContact ND1-NE2 3.98Å; H139-H142 WeakPolarHBondContact O-CB 3.47Å; H139-H142 PolarHBondContact O-CD2 3.46Å; H139-H142 VanDerWaalsContact O-CD2 3.23Å; H139-H142 PolarHBondContact O-N 3.09Å
140L98.5Very high97.2Very high0 Ų038.2 Ų38.20%021%0.206CC..G310 helixtrans-56.8-24.7175.8-65.5168.8000112.5I114 I124 I126 L137 V138 H142 L143 I149 L151 L169I114-L140 HydrophobicContact CD1-CD2 3.66Å; I114-L140 HydrophobicContact CD1-CG 3.98Å; I114-L140 HydrophobicContact CG1-CD2 4.1Å; I124-L140 HydrophobicContact CD1-CD2 3.83Å; I124-L140 HydrophobicContact CG2-CD2 3.89Å; I126-L140 HydrophobicContact CD1-CD1 4.3Å; I126-L140 HydrophobicContact CD1-CD2 4.25Å; L137-L140 HydrophobicContact CB-CD1 4.37Å; L137-L140 HydrophobicContact CD2-CD1 4.02Å; L137-L140 VanDerWaalsContact O-CB 3.26Å; L137-L140 WeakPolarHBondContact O-CB 3.17Å; L137-L140 WeakPolarHBondContact O-CD1 3.36Å; L137-L140 WeakPolarHBondContact O-CG 3.17Å; L137-L140 PolarHBondContact O-N 2.98Å; V138-L140 PolarHBondContact O-N 3.06Å; V138-L140 VanDerWaalsContact O-N 3.16Å; L140-H142 PolarHBondContact O-N 3.15Å; L140-H142 VanDerWaalsContact O-N 3.12Å; L140-L143 HydrophobicContact CD2-CD1 3.95Å; L140-L143 PolarHBondContact O-N 3.33Å; L140-I149 HydrophobicContact CB-CD1 4.03Å; L140-I149 HydrophobicContact CD1-CD1 4.48Å; L140-I149 HydrophobicContact CD1-CG2 4.01Å; L140-L151 HydrophobicContact CD1-CD2 4.07Å; L140-L169 HydrophobicContact CB-CD2 3.83Å; L140-L169 HydrophobicContact CD1-CD1 4.37Å
141Q97.6Very high97.4Very high46 Ų4636.9 Ų36.922%0.21519%0.192CC..G310 helixtrans-58.2-22.8175.376.1-169.6-32.200113.5V138 H139 L169 Q172V138-Q141 WeakPolarHBondContact O-CB 3.43Å; V138-Q141 WeakPolarHBondContact O-CG 3.29Å; V138-Q141 PolarHBondContact O-N 3.29Å; V138-Q141 PolarHBondContact O-NE2 2.96Å; H139-Q141 PolarHBondContact O-N 3.05Å; Q141-L169 HydrophobicContact CB-CD2 3.98Å; Q141-Q172 HydrophobicContact CB-CB 3.95Å; Q141-Q172 HydrophobicContact CB-CG 4.19Å
142H97.5Very high97.5Very high73 Ų7335.3 Ų35.334%0.33818%0.181SC..G310 helixtrans-83.9-12.4-177.4-58.1-59000113.6Y115 L118 H139 L140 T144Y115-H142 AromaticContact CZ-CD2 3.92Å; Y115-H142 PolarHBondContact OH-CD2 3.33Å; Y115-H142 PolarHBondContact OH-NE2 3.39Å; L118-H142 HydrophobicContact CD2-CB 3.61Å; L118-H142 WeakPolarHBondContact CD2-O 3.37Å; H139-H142 AromaticContact ND1-CD2 3.97Å; H139-H142 AromaticContact ND1-NE2 3.98Å; H139-H142 WeakPolarHBondContact O-CB 3.47Å; H139-H142 PolarHBondContact O-CD2 3.46Å; H139-H142 VanDerWaalsContact O-CD2 3.23Å; H139-H142 PolarHBondContact O-N 3.09Å; L140-H142 PolarHBondContact O-N 3.15Å; L140-H142 VanDerWaalsContact O-N 3.12Å; H142-T144 PolarHBondContact O-N 2.75Å; H142-T144 VanDerWaalsContact O-N 3.14Å
143L97.8Very high97.4Very high0 Ų038.6 Ų38.60%020%0.199CC..  trans-67113.5179.2-64.4173000110.6I114 L118 L121 I124 L140 V146 R176I114-L143 HydrophobicContact CG2-CD2 3.85Å; I114-L143 HydrophobicContact CG2-CG 4.06Å; L118-L143 HydrophobicContact CD2-CD2 4.5Å; L121-L143 HydrophobicContact CB-CD2 4.18Å; L121-L143 HydrophobicContact CD2-CD1 4.07Å; L121-L143 HydrophobicContact CD2-CD2 4.14Å; I124-L143 HydrophobicContact CG2-CD1 4.13Å; L140-L143 HydrophobicContact CD2-CD1 3.95Å; L140-L143 PolarHBondContact O-N 3.33Å; L143-V146 HydrophobicContact CB-CB 3.64Å; L143-V146 HydrophobicContact CB-CG1 3.63Å; L143-V146 HydrophobicContact CD1-CB 4.01Å; L143-V146 HydrophobicContact CD1-CG1 4.42Å; L143-V146 HydrophobicContact CD1-CG2 4.07Å; L143-V146 HydrophobicContact CG-CB 4.49Å; L143-V146 WeakPolarHBondContact O-CG1 3.34Å; L143-R176 PolarHBondContact O-NH1 3.03Å; L143-R176 VanDerWaalsContact O-NH1 3.15Å
144T95.5Very high97.4Very high76 Ų7638 Ų3847%0.46619%0.194SC..SBendtrans-81.3-24-171.562.80000113.1L118 N119 H142 R176L118-T144 PolarHBondContact O-N 3.49Å; L118-T144 PolarHBondContact O-OG1 2.97Å; N119-T144 PolarHBondContact OD1-OG1 3.25Å; N119-T144 VanDerWaalsContact OD1-OG1 3.13Å; H142-T144 PolarHBondContact O-N 2.75Å; H142-T144 VanDerWaalsContact O-N 3.14Å; T144-R176 PolarHBondContact O-NH1 3.15Å
145K97.5Very high97.3Very high114 Ų11441.9 Ų41.950%0.49622%0.217SC..SBendtrans-111.42.3-179.7-64.6-165.1-176.2162.40114.7N119 L121 K147N119-K145 WeakPolarHBondContact O-CD 3.48Å; N119-K145 WeakPolarHBondContact O-CE 3.22Å; N119-K145 PolarHBondContact O-NZ 3.42Å; L121-K145 CarbonylContact O-C 3.6Å; L121-K145 VanDerWaalsContact O-C 3.26Å; K145-K147 PolarHBondContact O-N 3.5Å
146V98.4Very high97.3Very high1 Ų143.2 Ų43.21%0.00622%0.216CC..  trans-62.5130.3-178.471.10000110.7L121 I124 L143 I149 L173 C177L121-V146 WeakPolarHBondContact O-CA 3.38Å; L121-V146 PolarHBondContact O-N 2.79Å; I124-V146 HydrophobicContact CG2-CG2 4.37Å; L143-V146 HydrophobicContact CB-CB 3.64Å; L143-V146 HydrophobicContact CB-CG1 3.63Å; L143-V146 HydrophobicContact CD1-CB 4.01Å; L143-V146 HydrophobicContact CD1-CG1 4.42Å; L143-V146 HydrophobicContact CD1-CG2 4.07Å; L143-V146 HydrophobicContact CG-CB 4.49Å; L143-V146 WeakPolarHBondContact O-CG1 3.34Å; V146-I149 HydrophobicContact CG1-CD1 4.36Å; V146-I149 HydrophobicContact CG2-CD1 4.19Å; V146-I149 HydrophobicContact CG2-CG1 3.63Å; V146-L173 HydrophobicContact CG1-CD1 3.94Å; V146-L173 HydrophobicContact CG1-CD2 3.92Å; V146-C177 HydrophobicContact CG1-CB 4.29Å
147K98.4Very high97.2Very high114 Ų11443.8 Ų43.850%0.49622%0.22SC..  trans-112.2-25.8176.6-63.3173.7-172.9161.80111.1E122 K145 C177 H178E122-K147 HydrophobicContact CB-CD 4.47Å; E122-K147 VanDerWaalsContact CD-NZ 3.33Å; E122-K147 PolarHBondContact O-N 3.44Å; E122-K147 IonicContact OE1-NZ 3.53Å; E122-K147 WeakPolarHBondContact OE2-CE 3.21Å; E122-K147 IonicContact OE2-NZ 2.73Å; E122-K147 PolarHBondContact OE2-NZ 3.23Å; K145-K147 PolarHBondContact O-N 3.5Å; K147-C177 CarbonylContact O-C 3.26Å; K147-C177 WeakPolarHBondContact O-CA 3.47Å; K147-H178 PolarHBondContact O-N 3.28Å
148Q98.5Very high97Very high50 Ų5046.7 Ų46.723%0.23424%0.24CC..EExtended strand (participates in β ladder)trans-143.9126.3-178.5-171.1162.832.900112.7E122 T123 I124 R150 H178E122-Q148 PolarHBondContact O-N 3.3Å; T123-Q148 WeakPolarHBondContact CA-O 3.32Å; T123-Q148 HydrophobicContact CG2-CB 4.33Å; I124-Q148 PolarHBondContact N-O 3.25Å; Q148-R150 HydrophobicContact CG-CG 4.21Å; Q148-H178 CarbonylContact C-O 3.56Å; Q148-H178 WeakPolarHBondContact CA-O 3.28Å
149I98.6Very high96.7Very high0 Ų051 Ų510%026%0.257CS..EExtended strand (participates in β ladder)trans-119119.7171.7-65.6172.3000107.8I124 L140 V146 L151 L173 H178 I179 S180I124-I149 HydrophobicContact CG2-CB 4.39Å; I124-I149 HydrophobicContact CG2-CG1 3.79Å; I124-I149 HydrophobicContact CG2-CG2 4.48Å; I124-I149 WeakPolarHBondContact O-CA 3.43Å; L140-I149 HydrophobicContact CB-CD1 4.03Å; L140-I149 HydrophobicContact CD1-CD1 4.48Å; L140-I149 HydrophobicContact CD1-CG2 4.01Å; V146-I149 HydrophobicContact CG1-CD1 4.36Å; V146-I149 HydrophobicContact CG2-CD1 4.19Å; V146-I149 HydrophobicContact CG2-CG1 3.63Å; I149-L151 HydrophobicContact CG2-CD1 4.25Å; I149-L151 HydrophobicContact CG2-CD2 3.96Å; I149-L151 HydrophobicContact CG2-CG 3.81Å; I149-L173 HydrophobicContact CD1-CD1 3.42Å; I149-L173 VanDerWaalsContact CD1-CD1 3.42Å; I149-H178 PolarHBondContact N-O 3.43Å; I149-I179 HydrophobicContact CB-CG1 4.37Å; I149-I179 HydrophobicContact CB-CG2 4.45Å; I149-I179 HydrophobicContact CD1-CG1 4.42Å; I149-I179 HydrophobicContact CG2-CG2 4.4Å; I149-I179 WeakPolarHBondContact O-CA 3.38Å; I149-S180 PolarHBondContact O-N 3.2Å
150R98.4Very high96.5Very high83 Ų8350.8 Ų50.831%0.31327%0.269SS..EExtended strand (participates in β ladder)trans-111.6118.9171.8-60.6-173.6-176.985.9-5.9109.5I124 E125 I126 Q148I124-R150 PolarHBondContact O-N 3.29Å; E125-R150 CarbonylContact C-O 3.59Å; E125-R150 VanDerWaalsContact CA-O 3.29Å; E125-R150 WeakPolarHBondContact CA-O 3.37Å; E125-R150 HydrophobicContact CB-CB 4.16Å; E125-R150 HydrophobicContact CG-CB 4.06Å; I126-R150 PolarHBondContact N-O 3.23Å; Q148-R150 HydrophobicContact CG-CG 4.21Å
151L98.2Very high96.3Very high4 Ų454.5 Ų54.52%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-116.6141.2176-57177.9000108.9I126 L137 L140 I149 L154 L165 S180 Y181 P182I126-L151 HydrophobicContact CB-CD2 3.93Å; I126-L151 HydrophobicContact CD1-CD2 4.17Å; I126-L151 HydrophobicContact CG1-CD2 4.32Å; I126-L151 WeakPolarHBondContact O-CA 3.26Å; L137-L151 HydrophobicContact CD1-CD1 4.45Å; L137-L151 HydrophobicContact CD2-CD1 4.47Å; L137-L151 HydrophobicContact CD2-CD2 3.73Å; L140-L151 HydrophobicContact CD1-CD2 4.07Å; I149-L151 HydrophobicContact CG2-CD1 4.25Å; I149-L151 HydrophobicContact CG2-CD2 3.96Å; I149-L151 HydrophobicContact CG2-CG 3.81Å; L151-L154 HydrophobicContact CB-CD1 4.45Å; L151-L154 HydrophobicContact CD2-CD1 4.49Å; L151-L165 HydrophobicContact CD1-CD2 4.08Å; L151-S180 PolarHBondContact N-O 3.1Å; L151-Y181 HydrophobicContact CB-CD1 3.73Å; L151-Y181 HydrophobicContact CB-CD2 3.76Å; L151-Y181 HydrophobicContact CB-CE1 4.1Å; L151-Y181 HydrophobicContact CB-CE2 4.16Å; L151-Y181 HydrophobicContact CB-CG 3.54Å; L151-Y181 HydrophobicContact CD1-CD1 3.68Å; L151-Y181 HydrophobicContact CD1-CE1 4.09Å; L151-Y181 HydrophobicContact CD1-CG 4.27Å; L151-Y181 HydrophobicContact CG-CD1 4.35Å; L151-Y181 WeakPolarHBondContact O-CA 3.33Å; L151-Y181 WeakPolarHBondContact O-CD2 3.48Å; L151-P182 WeakPolarHBondContact O-CD 3.48Å
152G96.1Very high96.2Very high2 Ų253 Ų532%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-158.9137.7178.700000114.1I126 A127 N128 L154 Y184I126-G152 PolarHBondContact O-N 3.14Å; A127-G152 CarbonylContact C-O 3.57Å; A127-G152 WeakPolarHBondContact CA-O 3.11Å; N128-G152 PolarHBondContact N-O 2.78Å; G152-L154 PolarHBondContact O-N 3.49Å; G152-Y184 VanDerWaalsContact CA-CE2 3.49Å
153N95Very high96.1Very high69 Ų6956.4 Ų56.437%0.36929%0.293SS..  trans45.364.5173.9-168.426.1000114.2N128 P155 Y184N128-N153 VanDerWaalsContact CA-O 3.29Å; N128-N153 WeakPolarHBondContact CA-O 3.36Å; N128-N153 PolarHBondContact N-O 3.08Å; N128-N153 WeakPolarHBondContact OD1-CB 3.49Å; N128-N153 PolarHBondContact OD1-ND2 2.87Å; N153-P155 WeakPolarHBondContact O-CD 3.25Å; N153-Y184 HydrophobicContact CB-CD1 4.1Å; N153-Y184 HydrophobicContact CB-CD2 3.83Å; N153-Y184 HydrophobicContact CB-CE1 4.1Å; N153-Y184 HydrophobicContact CB-CE2 3.86Å; N153-Y184 HydrophobicContact CB-CG 3.95Å; N153-Y184 VanDerWaalsContact N-CD2 3.35Å
154L96Very high96Very high6 Ų661.8 Ų61.83%0.03132%0.32CS..  trans-108.298178.6-57.8171.1000109I126 C129 L137 L151 G152 L156 V157 Y181I126-L154 HydrophobicContact CG2-CD1 4.47Å; I126-L154 HydrophobicContact CG2-CD2 4.09Å; C129-L154 HydrophobicContact CB-CD2 3.9Å; L137-L154 HydrophobicContact CD1-CD1 3.58Å; L137-L154 HydrophobicContact CD2-CD1 4.05Å; L137-L154 HydrophobicContact CG-CD1 4.37Å; L151-L154 HydrophobicContact CB-CD1 4.45Å; L151-L154 HydrophobicContact CD2-CD1 4.49Å; G152-L154 PolarHBondContact O-N 3.49Å; L154-L156 PolarHBondContact O-N 3.03Å; L154-L156 VanDerWaalsContact O-N 3.16Å; L154-V157 HydrophobicContact CB-CB 4.33Å; L154-V157 HydrophobicContact CB-CG2 3.67Å; L154-V157 HydrophobicContact CD1-CG2 4.32Å; L154-V157 PolarHBondContact O-N 2.69Å; L154-Y181 WeakPolarHBondContact CB-OH 3.49Å
155P93.9Very high96.1Very high91 Ų9158.5 Ų58.559%0.59130%0.3SS*.THydrogen-bonded Turntrans-71.5-11.3-166.728.3-36.8000114.8N153N153-P155 WeakPolarHBondContact O-CD 3.25Å
156L95.7Very high96.1Very high85 Ų8554 Ų5445%0.44528%0.281SS..BIsolated β-bridgetrans-92.8-2.2173-66.7-175.7000113.2G130 L154G130-L156 VanDerWaalsContact O-CD1 3.28Å; G130-L156 WeakPolarHBondContact O-CD1 3.17Å; G130-L156 WeakPolarHBondContact O-CG 3.28Å; L154-L156 PolarHBondContact O-N 3.03Å; L154-L156 VanDerWaalsContact O-N 3.16Å
157V96.1Very high96Very high13 Ų1357.3 Ų57.38%0.07930%0.299CS..SBendtrans-95.1109.1174-173.80000107.4L137 L154 E161 K162 Y181L137-V157 HydrophobicContact CD1-CG2 3.62Å; L154-V157 HydrophobicContact CB-CB 4.33Å; L154-V157 HydrophobicContact CB-CG2 3.67Å; L154-V157 HydrophobicContact CD1-CG2 4.32Å; L154-V157 PolarHBondContact O-N 2.69Å; V157-E161 HydrophobicContact CG1-CB 4.14Å; V157-K162 HydrophobicContact CG1-CB 3.99Å; V157-Y181 HydrophobicContact CG1-CE1 4.34Å
158S93.5Very high96Very high61 Ų6153.9 Ų53.943%0.42729%0.287SS..  trans-68.4158.417264.90000111.3G160 E161 K162S158-G160 PolarHBondContact O-N 2.91Å; S158-E161 WeakPolarHBondContact CB-OE2 3.41Å; S158-E161 PolarHBondContact N-OE2 3.39Å; S158-E161 PolarHBondContact O-N 2.9Å; S158-E161 VanDerWaalsContact O-N 3.12Å; S158-E161 WeakPolarHBondContact OG-CB 3.41Å; S158-E161 VanDerWaalsContact OG-CD 3.3Å; S158-E161 VanDerWaalsContact OG-CG 3.24Å; S158-E161 WeakPolarHBondContact OG-CG 3.5Å; S158-E161 PolarHBondContact OG-N 3.23Å; S158-E161 PolarHBondContact OG-OE2 3.43Å; S158-K162 WeakPolarHBondContact O-CB 3.29Å; S158-K162 PolarHBondContact O-N 3.12Å
159E92.3Very high95.9Very high133 Ų13351.5 Ų51.562%0.62128%0.276SS*.Hα-helixtrans-58-35.4176.5-71.4-55.6133.400113K162 K163E159-K162 PolarHBondContact O-N 3.46Å; E159-K163 PolarHBondContact O-N 3.23Å; E159-K163 VanDerWaalsContact O-N 3.12Å
160G92.7Very high95.8Very high46 Ų4657.7 Ų57.747%0.47430%0.299SS..Hα-helixtrans-64.1-46.5174.600000112.3S158 K163 I164S158-G160 PolarHBondContact O-N 2.91Å; G160-K163 PolarHBondContact O-N 3.47Å; G160-I164 WeakPolarHBondContact O-CG1 3.44Å; G160-I164 PolarHBondContact O-N 3.18Å
161E94.2Very high95.8Very high77 Ų7760.6 Ų60.636%0.3632%0.32SS..Hα-helixtrans-65.8-39.4175.6-71.6166.4132.200111.9V157 S158 K163 I164 L165V157-E161 HydrophobicContact CG1-CB 4.14Å; S158-E161 WeakPolarHBondContact CB-OE2 3.41Å; S158-E161 PolarHBondContact N-OE2 3.39Å; S158-E161 PolarHBondContact O-N 2.9Å; S158-E161 VanDerWaalsContact O-N 3.12Å; S158-E161 WeakPolarHBondContact OG-CB 3.41Å; S158-E161 VanDerWaalsContact OG-CD 3.3Å; S158-E161 VanDerWaalsContact OG-CG 3.24Å; S158-E161 WeakPolarHBondContact OG-CG 3.5Å; S158-E161 PolarHBondContact OG-N 3.23Å; S158-E161 PolarHBondContact OG-OE2 3.43Å; E161-K163 VanDerWaalsContact C-N 3.31Å; E161-K163 PolarHBondContact O-N 3.06Å; E161-I164 PolarHBondContact O-N 2.58Å; E161-L165 WeakPolarHBondContact O-CB 3.31Å; E161-L165 PolarHBondContact O-N 3.13Å
162K95.7Very high95.7Very high15 Ų1566 Ų667%0.06535%0.346CS..Hα-helixtrans-55.3-47.6176.2178.2177.7-179.5176.90110.9V157 S158 E159 L165 L166 Y181 D183V157-K162 HydrophobicContact CG1-CB 3.99Å; S158-K162 WeakPolarHBondContact O-CB 3.29Å; S158-K162 PolarHBondContact O-N 3.12Å; E159-K162 PolarHBondContact O-N 3.46Å; K162-L165 PolarHBondContact O-N 3.28Å; K162-L166 HydrophobicContact CG-CD1 4.16Å; K162-L166 WeakPolarHBondContact O-CB 3.28Å; K162-L166 VanDerWaalsContact O-CG 3.29Å; K162-L166 WeakPolarHBondContact O-CG 3Å; K162-L166 PolarHBondContact O-N 3.24Å; K162-Y181 HydrophobicContact CB-CE1 4.45Å; K162-Y181 HydrophobicContact CD-CD1 4.19Å; K162-Y181 HydrophobicContact CD-CE1 4.14Å; K162-Y181 HydrophobicContact CD-CG 4.43Å; K162-Y181 VanDerWaalsContact CE-O 3.26Å; K162-Y181 WeakPolarHBondContact CE-O 3.27Å; K162-Y181 HydrophobicContact CG-CD1 3.83Å; K162-Y181 HydrophobicContact CG-CE1 3.81Å; K162-Y181 HydrophobicContact CG-CG 4.49Å; K162-Y181 PolarHBondContact NZ-O 3.39Å; K162-D183 IonicContact NZ-OD1 2.68Å; K162-D183 PolarHBondContact NZ-OD1 2.82Å
163K95.3Very high95.7Very high145 Ų14566.1 Ų66.163%0.6335%0.346SS*.Hα-helixtrans-61.1-51.2178.1-176.3177.2178.1-178.30111.5E159 G160 E161 L165 L166 D167E159-K163 PolarHBondContact O-N 3.23Å; E159-K163 VanDerWaalsContact O-N 3.12Å; G160-K163 PolarHBondContact O-N 3.47Å; E161-K163 VanDerWaalsContact C-N 3.31Å; E161-K163 PolarHBondContact O-N 3.06Å; K163-L165 VanDerWaalsContact C-N 3.34Å; K163-L165 PolarHBondContact O-N 3.12Å; K163-L166 PolarHBondContact O-N 2.71Å; K163-D167 PolarHBondContact O-N 3.04Å
164I96.3Very high95.6Very high113 Ų11364.3 Ų64.358%0.57934%0.343SS*.Hα-helixtrans-60.2-45.5-179.8-65.9167.1000110.8G160 E161 L166 D167 V168G160-I164 WeakPolarHBondContact O-CG1 3.44Å; G160-I164 PolarHBondContact O-N 3.18Å; E161-I164 PolarHBondContact O-N 2.58Å; I164-L166 PolarHBondContact O-N 2.88Å; I164-D167 PolarHBondContact O-N 3.16Å; I164-V168 HydrophobicContact CG2-CG2 4.37Å; I164-V168 WeakPolarHBondContact O-CG2 3.41Å; I164-V168 PolarHBondContact O-N 3.39Å
165L97.2Very high95.5Very high7 Ų772.5 Ų72.54%0.03739%0.387CS..Hα-helixtrans-57.6-50.1177.5174.568.7000111.1L137 V138 L151 E161 K162 K163 D167 V168 L169L137-L165 HydrophobicContact CB-CD1 3.71Å; L137-L165 HydrophobicContact CB-CD2 3.56Å; L137-L165 HydrophobicContact CB-CG 4.29Å; L137-L165 HydrophobicContact CD1-CD2 3.48Å; L137-L165 VanDerWaalsContact CD1-CD2 3.48Å; L137-L165 HydrophobicContact CG-CD2 4.16Å; V138-L165 HydrophobicContact CB-CD1 4.4Å; L151-L165 HydrophobicContact CD1-CD2 4.08Å; E161-L165 WeakPolarHBondContact O-CB 3.31Å; E161-L165 PolarHBondContact O-N 3.13Å; K162-L165 PolarHBondContact O-N 3.28Å; K163-L165 VanDerWaalsContact C-N 3.34Å; K163-L165 PolarHBondContact O-N 3.12Å; L165-D167 VanDerWaalsContact C-N 3.31Å; L165-D167 PolarHBondContact O-N 3.17Å; L165-V168 PolarHBondContact O-N 3.12Å; L165-L169 HydrophobicContact CD1-CD1 3.91Å; L165-L169 HydrophobicContact CD1-CG 4.01Å; L165-L169 HydrophobicContact CG-CD1 3.98Å; L165-L169 HydrophobicContact CG-CG 4.36Å; L165-L169 WeakPolarHBondContact O-CB 3.45Å; L165-L169 VanDerWaalsContact O-CG 3.28Å; L165-L169 WeakPolarHBondContact O-CG 3.35Å; L165-L169 PolarHBondContact O-N 3.37Å
166L96.9Very high95.5Very high18 Ų1873.9 Ų73.99%0.09438%0.38CS..Hα-helixtrans-62.2-39.6179.8-73174.8000111.9K162 K163 I164 R170 I179K162-L166 HydrophobicContact CG-CD1 4.16Å; K162-L166 WeakPolarHBondContact O-CB 3.28Å; K162-L166 VanDerWaalsContact O-CG 3.29Å; K162-L166 WeakPolarHBondContact O-CG 3Å; K162-L166 PolarHBondContact O-N 3.24Å; K163-L166 PolarHBondContact O-N 2.71Å; I164-L166 PolarHBondContact O-N 2.88Å; L166-R170 VanDerWaalsContact O-CB 3.28Å; L166-R170 WeakPolarHBondContact O-CB 3.41Å; L166-R170 WeakPolarHBondContact O-CD 3.44Å; L166-R170 WeakPolarHBondContact O-CG 3.43Å; L166-R170 PolarHBondContact O-N 3.46Å; L166-I179 HydrophobicContact CD2-CG2 3.7Å
167D96.9Very high95.6Very high72 Ų7270.3 Ų70.339%0.38536%0.363SS..Hα-helixtrans-64.3-46.4176.3-69.9-16.9000111.2K163 I164 L165 R170 L171K163-D167 PolarHBondContact O-N 3.04Å; I164-D167 PolarHBondContact O-N 3.16Å; L165-D167 VanDerWaalsContact C-N 3.31Å; L165-D167 PolarHBondContact O-N 3.17Å; D167-R170 PolarHBondContact O-N 3.05Å; D167-L171 WeakPolarHBondContact O-CB 3.46Å; D167-L171 VanDerWaalsContact O-CG 3.25Å; D167-L171 WeakPolarHBondContact O-CG 3.42Å; D167-L171 PolarHBondContact O-N 3.48Å
168V97.7Very high95.7Very high42 Ų4275.2 Ų75.226%0.25538%0.384SS..Hα-helixtrans-59.6-50.2176.3169.70000111.3V138 I164 L165 R170 L171 Q172V138-V168 HydrophobicContact CG2-CG1 3.98Å; I164-V168 HydrophobicContact CG2-CG2 4.37Å; I164-V168 WeakPolarHBondContact O-CG2 3.41Å; I164-V168 PolarHBondContact O-N 3.39Å; L165-V168 PolarHBondContact O-N 3.12Å; V168-R170 VanDerWaalsContact C-N 3.35Å; V168-R170 PolarHBondContact O-N 2.99Å; V168-L171 PolarHBondContact O-N 3.01Å; V168-Q172 HydrophobicContact CG1-CG 4.45Å; V168-Q172 WeakPolarHBondContact O-CG 3.29Å; V168-Q172 PolarHBondContact O-N 3.48Å
169L97.8Very high95.9Very high0 Ų073.3 Ų73.30%037%0.369CS..Hα-helixtrans-63.9-40.4-178.7-66.3-179.5000111.6L140 Q141 L165 L173 I179L140-L169 HydrophobicContact CB-CD2 3.83Å; L140-L169 HydrophobicContact CD1-CD1 4.37Å; Q141-L169 HydrophobicContact CB-CD2 3.98Å; L165-L169 HydrophobicContact CD1-CD1 3.91Å; L165-L169 HydrophobicContact CD1-CG 4.01Å; L165-L169 HydrophobicContact CG-CD1 3.98Å; L165-L169 HydrophobicContact CG-CG 4.36Å; L165-L169 WeakPolarHBondContact O-CB 3.45Å; L165-L169 VanDerWaalsContact O-CG 3.28Å; L165-L169 WeakPolarHBondContact O-CG 3.35Å; L165-L169 PolarHBondContact O-N 3.37Å; L169-L173 HydrophobicContact CB-CD1 4.46Å; L169-L173 HydrophobicContact CD2-CD1 4.45Å; L169-L173 WeakPolarHBondContact O-CB 3.24Å; L169-L173 WeakPolarHBondContact O-CG 3.45Å; L169-L173 PolarHBondContact O-N 3.42Å; L169-I179 HydrophobicContact CB-CD1 3.63Å
170R96.4Very high96.1Very high129 Ų12968.7 Ų68.749%0.48735%0.351SS..Hα-helixtrans-66.5-38.2176.6-74.2169-178149.2-0.5112.4L166 D167 V168 G174 I179L166-R170 VanDerWaalsContact O-CB 3.28Å; L166-R170 WeakPolarHBondContact O-CB 3.41Å; L166-R170 WeakPolarHBondContact O-CD 3.44Å; L166-R170 WeakPolarHBondContact O-CG 3.43Å; L166-R170 PolarHBondContact O-N 3.46Å; D167-R170 PolarHBondContact O-N 3.05Å; V168-R170 VanDerWaalsContact C-N 3.35Å; V168-R170 PolarHBondContact O-N 2.99Å; R170-G174 WeakPolarHBondContact O-CA 3.32Å; R170-G174 PolarHBondContact O-N 3.35Å; R170-I179 HydrophobicContact CG-CD1 4.01Å
171L97Very high96.3Very high144 Ų14467.7 Ų67.775%0.75433%0.334SS*.Hα-helixtrans-67.2-44.3176.6-74.4169.8000112D167 V168D167-L171 WeakPolarHBondContact O-CB 3.46Å; D167-L171 VanDerWaalsContact O-CG 3.25Å; D167-L171 WeakPolarHBondContact O-CG 3.42Å; D167-L171 PolarHBondContact O-N 3.48Å; V168-L171 PolarHBondContact O-N 3.01Å
172Q97.1Very high96.1Very high119 Ų11967.4 Ų67.456%0.55634%0.338SS*.Hα-helixtrans-81.2-37.7-175-65.7-59.9-3700113.5Q141 V168Q141-Q172 HydrophobicContact CB-CB 3.95Å; Q141-Q172 HydrophobicContact CB-CG 4.19Å; V168-Q172 HydrophobicContact CG1-CG 4.45Å; V168-Q172 WeakPolarHBondContact O-CG 3.29Å; V168-Q172 PolarHBondContact O-N 3.48Å
173L96.5Very high95.5Very high4 Ų472.2 Ų72.22%0.02137%0.365CS..Hα-helixtrans-90.4-24.5-179.9-55.4177000111.6V146 I149 L169 R176 C177 I179V146-L173 HydrophobicContact CG1-CD1 3.94Å; V146-L173 HydrophobicContact CG1-CD2 3.92Å; I149-L173 HydrophobicContact CD1-CD1 3.42Å; I149-L173 VanDerWaalsContact CD1-CD1 3.42Å; L169-L173 HydrophobicContact CB-CD1 4.46Å; L169-L173 HydrophobicContact CD2-CD1 4.45Å; L169-L173 WeakPolarHBondContact O-CB 3.24Å; L169-L173 WeakPolarHBondContact O-CG 3.45Å; L169-L173 PolarHBondContact O-N 3.42Å; L173-R176 WeakPolarHBondContact O-CG 3.38Å; L173-R176 PolarHBondContact O-NE 3.46Å; L173-C177 HydrophobicContact CB-CB 3.78Å; L173-C177 HydrophobicContact CD1-CB 4.06Å; L173-C177 HydrophobicContact CG-CB 4.49Å; L173-I179 HydrophobicContact CD1-CD1 4.32Å
174G92.7Very high94.1Very high30 Ų3071.8 Ų71.831%0.30936%0.36SS..G310 helixtrans56.3-151.8179.600000113.2R170 R176R170-G174 WeakPolarHBondContact O-CA 3.32Å; R170-G174 PolarHBondContact O-N 3.35Å; G174-R176 PolarHBondContact O-N 3.02Å
175N93.1Very high91.9Very high179 Ų17976.4 Ų76.496%0.95739%0.394SS*.G310 helixtrans-76.3-4.4-175.2-65.3-12.7000114.5C177N175-C177 VanDerWaalsContact C-N 3.3Å
176R94.8Very high91.6Very high119 Ų11979.9 Ų79.945%0.44941%0.412SS..G310 helixtrans-78.3-14.9178.555.8164.3-175.2113.5-4.6113.3L143 T144 L173 G174L143-R176 PolarHBondContact O-NH1 3.03Å; L143-R176 VanDerWaalsContact O-NH1 3.15Å; T144-R176 PolarHBondContact O-NH1 3.15Å; L173-R176 WeakPolarHBondContact O-CG 3.38Å; L173-R176 PolarHBondContact O-NE 3.46Å; G174-R176 PolarHBondContact O-N 3.02Å
177C97.5Very high91.3Very high11 Ų1183.2 Ų83.27%0.07443%0.428CS..SBendtrans-124126-179.3-175.50000111.1V146 K147 L173 N175V146-C177 HydrophobicContact CG1-CB 4.29Å; K147-C177 CarbonylContact O-C 3.26Å; K147-C177 WeakPolarHBondContact O-CA 3.47Å; L173-C177 HydrophobicContact CB-CB 3.78Å; L173-C177 HydrophobicContact CD1-CB 4.06Å; L173-C177 HydrophobicContact CG-CB 4.49Å; N175-C177 VanDerWaalsContact C-N 3.3Å
178H97.8Very high91Very high116 Ų11683.8 Ų83.854%0.53743%0.431SS..EExtended strand (participates in β ladder)trans-80.5122.6167.9-177.176.3000110.1K147 Q148 I149K147-H178 PolarHBondContact O-N 3.28Å; Q148-H178 CarbonylContact C-O 3.56Å; Q148-H178 WeakPolarHBondContact CA-O 3.28Å; I149-H178 PolarHBondContact N-O 3.43Å
179I97.8Very high90.6Very high21 Ų2186.2 Ų86.211%0.10844%0.441CS..EExtended strand (participates in β ladder)trans-117120-179.7-55.2160.5000108.4I149 L166 L169 R170 L173I149-I179 HydrophobicContact CB-CG1 4.37Å; I149-I179 HydrophobicContact CB-CG2 4.45Å; I149-I179 HydrophobicContact CD1-CG1 4.42Å; I149-I179 HydrophobicContact CG2-CG2 4.4Å; I149-I179 WeakPolarHBondContact O-CA 3.38Å; L166-I179 HydrophobicContact CD2-CG2 3.7Å; L169-I179 HydrophobicContact CB-CD1 3.63Å; R170-I179 HydrophobicContact CG-CD1 4.01Å; L173-I179 HydrophobicContact CD1-CD1 4.32Å
180S96.8Very high90.2Very high35 Ų3591.6 Ų91.625%0.24547%0.469CS..EExtended strand (participates in β ladder)trans-119.4127.6174.764.70000110.4I149 L151I149-S180 PolarHBondContact O-N 3.2Å; L151-S180 PolarHBondContact N-O 3.1Å
181Y96.4Very high89.8Confident26 Ų2689.1 Ų89.110%0.10247%0.468CS..  trans-140.975.2172.3-164.8171.2000109.8L151 L154 V157 K162L151-Y181 HydrophobicContact CB-CD1 3.73Å; L151-Y181 HydrophobicContact CB-CD2 3.76Å; L151-Y181 HydrophobicContact CB-CE1 4.1Å; L151-Y181 HydrophobicContact CB-CE2 4.16Å; L151-Y181 HydrophobicContact CB-CG 3.54Å; L151-Y181 HydrophobicContact CD1-CD1 3.68Å; L151-Y181 HydrophobicContact CD1-CE1 4.09Å; L151-Y181 HydrophobicContact CD1-CG 4.27Å; L151-Y181 HydrophobicContact CG-CD1 4.35Å; L151-Y181 WeakPolarHBondContact O-CA 3.33Å; L151-Y181 WeakPolarHBondContact O-CD2 3.48Å; L154-Y181 WeakPolarHBondContact CB-OH 3.49Å; V157-Y181 HydrophobicContact CG1-CE1 4.34Å; K162-Y181 HydrophobicContact CB-CE1 4.45Å; K162-Y181 HydrophobicContact CD-CD1 4.19Å; K162-Y181 HydrophobicContact CD-CE1 4.14Å; K162-Y181 HydrophobicContact CD-CG 4.43Å; K162-Y181 VanDerWaalsContact CE-O 3.26Å; K162-Y181 WeakPolarHBondContact CE-O 3.27Å; K162-Y181 HydrophobicContact CG-CD1 3.83Å; K162-Y181 HydrophobicContact CG-CE1 3.81Å; K162-Y181 HydrophobicContact CG-CG 4.49Å; K162-Y181 PolarHBondContact NZ-O 3.39Å
182P90.6Very high89.3Confident70 Ų7085.2 Ų85.246%0.45545%0.447SS..  trans-60.6150.4-177.826.7-35.1000111.6L151 Y184L151-P182 WeakPolarHBondContact O-CD 3.48Å; P182-Y184 HydrophobicContact CG-CE2 4.22Å
183D83Confident88.7Confident117 Ų11782.6 Ų82.663%0.62644%0.439SS*.  trans-70.3138.6167.5-58.9-38.9000108.8K162K162-D183 IonicContact NZ-OD1 2.68Å; K162-D183 PolarHBondContact NZ-OD1 2.82Å
184Y66.9Low88Confident136 Ų13689.2 Ų89.253%0.53347%0.474SS..  trans-102.2111.1170-78.6-100.2000107.2G152 N153 P182G152-Y184 VanDerWaalsContact CA-CE2 3.49Å; N153-Y184 HydrophobicContact CB-CD1 4.1Å; N153-Y184 HydrophobicContact CB-CD2 3.83Å; N153-Y184 HydrophobicContact CB-CE1 4.1Å; N153-Y184 HydrophobicContact CB-CE2 3.86Å; N153-Y184 HydrophobicContact CB-CG 3.95Å; N153-Y184 VanDerWaalsContact N-CD2 3.35Å; P182-Y184 HydrophobicContact CG-CE2 4.22Å
185T48.7Very low87.6Confident210 Ų21094.5 Ų94.5100%1.28849%0.489SS*.  trans-82.80170.952.50000111.4

Retrieved 185 of 185 residues in 627.1 ms (Link to these results)

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