A0A077Z0U7_TRITR Loading...

Nudix hydrolase 6

AlphaFold DB , UniProt , Accession A0A077Z0U7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 269 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
1M33.7Very low57.2Low246 Ų246113.8 Ų113.8100%1.21268%0.68SS**  01240-75.5173.6-172.900108.1A3M1-A3 PolarHBondContact O-N 3.12Å
2K30.4Very low60.5Low205 Ų205107.8 Ų107.889%0.89164%0.642SS**  trans-65.6118.8175.2-80.1176.7174.5176.60107.9T4K2-T4 PolarHBondContact O-N 3.01Å
3A37.9Very low63.2Low95 Ų95107.4 Ų107.479%0.78563%0.627SS**  trans-58.8105.2163.300000106.3M1 C5M1-A3 PolarHBondContact O-N 3.12Å; A3-C5 PolarHBondContact O-N 2.92Å
4T35Very low65.5Low126 Ų126107.8 Ų107.877%0.77362%0.624SS**  trans-56.3112.2166.745.50000105.6K2 S6K2-T4 PolarHBondContact O-N 3.01Å; T4-S6 PolarHBondContact O-N 2.92Å
5C36.2Very low67.3Low130 Ų130101.3 Ų101.388%0.87859%0.587SS**  trans-53.396.3169.4-76.80000107A3 G7A3-C5 PolarHBondContact O-N 2.92Å; C5-G7 PolarHBondContact O-N 2.94Å; C5-G7 VanDerWaalsContact O-N 3.15Å
6S47.2Very low68.8Low106 Ų106102.9 Ų102.974%0.74159%0.593SS**  trans-55.6122.7169.2570000105.5T4 S8T4-S6 PolarHBondContact O-N 2.92Å; S6-S8 PolarHBondContact O-N 3.12Å
7G58.5Low70.2Confident54 Ų54100.1 Ų100.156%0.55759%0.591SS**  trans-42.6139.7-176.300000111.3C5 I9C5-G7 PolarHBondContact O-N 2.94Å; C5-G7 VanDerWaalsContact O-N 3.15Å; G7-I9 PolarHBondContact O-N 3.24Å
8S76.5Confident71.6Confident99 Ų9995.3 Ų95.369%0.69256%0.563SS**  trans-52.1119.2178.448.50000108.8S6 L10S6-S8 PolarHBondContact O-N 3.12Å; S8-L10 WeakPolarHBondContact O-CG 3.5Å; S8-L10 PolarHBondContact O-N 3.33Å; S8-L10 VanDerWaalsContact O-N 3.12Å
9I86Confident73Confident73 Ų7391.2 Ų91.237%0.37454%0.538SS..  trans-59.8120.7-179.1-67.7172.8000108.1G7 F11G7-I9 PolarHBondContact O-N 3.24Å; I9-F11 HydrophobicContact CB-CZ 4.37Å; I9-F11 HydrophobicContact CG2-CD1 4.08Å; I9-F11 HydrophobicContact CG2-CE1 3.61Å; I9-F11 HydrophobicContact CG2-CE2 4.37Å; I9-F11 HydrophobicContact CG2-CZ 3.77Å
10L92.4Very high74.2Confident74 Ų7487.7 Ų87.739%0.38752%0.515SS..  trans-95115.2179.6-57175.9000110.2S8 K13 S15 R20S8-L10 WeakPolarHBondContact O-CG 3.5Å; S8-L10 PolarHBondContact O-N 3.33Å; S8-L10 VanDerWaalsContact O-N 3.12Å; L10-K13 HydrophobicContact CB-CD 4.2Å; L10-K13 HydrophobicContact CB-CG 4.19Å; L10-S15 WeakPolarHBondContact O-CB 3.38Å; L10-R20 WeakPolarHBondContact O-CD 3.37Å
11F95.1Very high75.2Confident44 Ų4486 Ų8619%0.19351%0.506CS..THydrogen-bonded Turntrans-84.5161.8-179.1-67.6-57.2000112.9I9 K13 Y27 T29 G33 P35I9-F11 HydrophobicContact CB-CZ 4.37Å; I9-F11 HydrophobicContact CG2-CD1 4.08Å; I9-F11 HydrophobicContact CG2-CE1 3.61Å; I9-F11 HydrophobicContact CG2-CE2 4.37Å; I9-F11 HydrophobicContact CG2-CZ 3.77Å; F11-K13 PolarHBondContact O-N 2.94Å; F11-Y27 HydrophobicContact CB-CE2 3.69Å; F11-Y27 VanDerWaalsContact CB-OH 3.28Å; F11-Y27 WeakPolarHBondContact CB-OH 3.46Å; F11-Y27 HydrophobicContact CD1-CE2 4.23Å; F11-Y27 VanDerWaalsContact CD1-OH 3.29Å; F11-Y27 WeakPolarHBondContact CD1-OH 3.32Å; F11-Y27 HydrophobicContact CG-CE2 4.07Å; F11-T29 HydrophobicContact CD2-CG2 3.76Å; F11-T29 HydrophobicContact CE2-CG2 4.4Å; F11-T29 HydrophobicContact CG-CG2 4.45Å; F11-G33 WeakPolarHBondContact CE2-O 3.31Å; F11-P35 HydrophobicContact CD1-CB 4.31Å; F11-P35 HydrophobicContact CD1-CG 4.3Å; F11-P35 HydrophobicContact CE1-CB 4.36Å; F11-P35 HydrophobicContact CE1-CG 3.87Å; F11-P35 HydrophobicContact CZ-CG 4.08Å
12N96.7Very high78.1Confident42 Ų4275.1 Ų75.123%0.22545%0.454CS..THydrogen-bonded Turntrans6122.3-177.9-63.8-73.8000115.2R20 Q26 Y27N12-R20 WeakPolarHBondContact CA-O 3.43Å; N12-R20 PolarHBondContact N-O 3.03Å; N12-Q26 HydrophobicContact CB-CG 3.96Å; N12-Q26 VanDerWaalsContact CG-CG 3.45Å; N12-Q26 WeakPolarHBondContact OD1-CA 3.37Å; N12-Q26 VanDerWaalsContact OD1-CG 3.3Å; N12-Q26 WeakPolarHBondContact OD1-CG 3.26Å; N12-Y27 PolarHBondContact N-OH 3.18Å; N12-Y27 VanDerWaalsContact N-OH 3.12Å; N12-Y27 PolarHBondContact ND2-O 3.16Å; N12-Y27 WeakPolarHBondContact OD1-CD1 3.47Å; N12-Y27 VanDerWaalsContact OD1-CE1 3.28Å; N12-Y27 WeakPolarHBondContact OD1-CE1 3.26Å; N12-Y27 PolarHBondContact OD1-N 3.34Å
13K96Very high80.9Confident102 Ų10267.9 Ų67.944%0.44343%0.427SS..SBendtrans-153.2172.9172.868176.3-159.1174.10110.9L10 F11 S15 R20L10-K13 HydrophobicContact CB-CD 4.2Å; L10-K13 HydrophobicContact CB-CG 4.19Å; F11-K13 PolarHBondContact O-N 2.94Å; K13-S15 PolarHBondContact O-N 2.73Å; K13-R20 VanDerWaalsContact O-CB 3.29Å; K13-R20 WeakPolarHBondContact O-CB 3.33Å; K13-R20 PolarHBondContact O-N 3.26Å; K13-R20 VanDerWaalsContact O-N 3.16Å
14I95Very high83.3Confident113 Ų11365.8 Ų65.858%0.57941%0.405SS*.EExtended strand (participates in β ladder)trans-71.5123.7167.4-57174000108.1V18 D19I14-V18 CarbonylContact C-O 3.56Å; I14-V18 VanDerWaalsContact CA-O 3.3Å; I14-V18 WeakPolarHBondContact CA-O 3.43Å; I14-D19 HydrophobicContact CG1-CB 4.31Å
15S93.5Very high85.9Confident11 Ų1165.6 Ų65.68%0.07739%0.393CS..EExtended strand (participates in β ladder)trans-138.5127.9178.3-169.90000109.2L10 K13 G17 V18L10-S15 WeakPolarHBondContact O-CB 3.38Å; K13-S15 PolarHBondContact O-N 2.73Å; S15-G17 VanDerWaalsContact C-N 3.27Å; S15-G17 PolarHBondContact O-N 3.38Å; S15-V18 PolarHBondContact N-O 3.28Å; S15-V18 WeakPolarHBondContact O-CB 3.49Å; S15-V18 PolarHBondContact O-N 2.94Å
16D90.9Very high88.8Confident127 Ų12767 Ų6768%0.67939%0.387SS*.THydrogen-bonded Turntrans56.439.5178-45.7-61.3000113.3V18D16-V18 PolarHBondContact O-N 3.13Å
17G92.5Very high91.1Very high55 Ų5562.3 Ų62.357%0.56735%0.353SS*.THydrogen-bonded Turntrans75.41.4-177.900000114.9S15S15-G17 VanDerWaalsContact C-N 3.27Å; S15-G17 PolarHBondContact O-N 3.38Å
18V96.2Very high93Very high13 Ų1369.5 Ų69.58%0.07936%0.363CS..EExtended strand (participates in β ladder)trans-102.1124.1178.8-173.80000109.8I14 S15 D16 R20 R52 D94I14-V18 CarbonylContact C-O 3.56Å; I14-V18 VanDerWaalsContact CA-O 3.3Å; I14-V18 WeakPolarHBondContact CA-O 3.43Å; S15-V18 PolarHBondContact N-O 3.28Å; S15-V18 WeakPolarHBondContact O-CB 3.49Å; S15-V18 PolarHBondContact O-N 2.94Å; D16-V18 PolarHBondContact O-N 3.13Å; V18-R20 HydrophobicContact CB-CG 4.25Å; V18-R20 HydrophobicContact CG1-CG 3.87Å; V18-R20 PolarHBondContact O-N 3.07Å; V18-R52 VanDerWaalsContact CG1-CD 3.45Å; V18-D94 WeakPolarHBondContact CG1-OD1 3.2Å; V18-D94 WeakPolarHBondContact CG2-OD1 3.34Å
19D97Very high93.9Very high17 Ų1768 Ų689%0.09135%0.35CS..EExtended strand (participates in β ladder)trans-70.4113.2165.2-170.3-4.7000109.5I14 T21 H57 D94 P96I14-D19 HydrophobicContact CG1-CB 4.31Å; D19-T21 VanDerWaalsContact OD1-CB 3.3Å; D19-T21 WeakPolarHBondContact OD1-CB 3.18Å; D19-T21 WeakPolarHBondContact OD1-CG2 3.25Å; D19-T21 PolarHBondContact OD1-N 3.14Å; D19-T21 PolarHBondContact OD1-OG1 3.03Å; D19-T21 PolarHBondContact OD2-OG1 3.39Å; D19-H57 PolarHBondContact O-CD2 2.93Å; D19-H57 VanDerWaalsContact O-CD2 3.27Å; D19-H57 PolarHBondContact O-NE2 3.28Å; D19-D94 WeakPolarHBondContact CB-O 3.35Å; D19-D94 PolarHBondContact N-O 3.19Å; D19-P96 HydrophobicContact CB-CG 4.43Å
20R97.1Very high94.2Very high22 Ų2266.2 Ų66.28%0.08334%0.341CS..  trans-111.121.1176.8-52.9171.1177.2-86.26.2111L10 N12 K13 V18 Y27L10-R20 WeakPolarHBondContact O-CD 3.37Å; N12-R20 WeakPolarHBondContact CA-O 3.43Å; N12-R20 PolarHBondContact N-O 3.03Å; K13-R20 VanDerWaalsContact O-CB 3.29Å; K13-R20 WeakPolarHBondContact O-CB 3.33Å; K13-R20 PolarHBondContact O-N 3.26Å; K13-R20 VanDerWaalsContact O-N 3.16Å; V18-R20 HydrophobicContact CB-CG 4.25Å; V18-R20 HydrophobicContact CG1-CG 3.87Å; V18-R20 PolarHBondContact O-N 3.07Å; R20-Y27 VanDerWaalsContact O-CE1 3.23Å; R20-Y27 WeakPolarHBondContact O-CE1 3.43Å; R20-Y27 PolarHBondContact O-OH 3.1Å
21T96.4Very high94.2Very high53 Ų5371.3 Ų71.333%0.32537%0.368SS..  trans-85.2149.317368.40000110.1D19 P55 H57D19-T21 VanDerWaalsContact OD1-CB 3.3Å; D19-T21 WeakPolarHBondContact OD1-CB 3.18Å; D19-T21 WeakPolarHBondContact OD1-CG2 3.25Å; D19-T21 PolarHBondContact OD1-N 3.14Å; D19-T21 PolarHBondContact OD1-OG1 3.03Å; D19-T21 PolarHBondContact OD2-OG1 3.39Å; T21-P55 VanDerWaalsContact O-CG 3.25Å; T21-P55 WeakPolarHBondContact O-CG 3.36Å; T21-H57 PolarHBondContact O-CE1 3.44Å; T21-H57 PolarHBondContact O-NE2 3.5Å
22S94.3Very high94.1Very high16 Ų1676.7 Ų76.711%0.11239%0.391CS..  trans-107.7140.8173.8120.40000110.2V24 K25 E168S22-V24 PolarHBondContact O-N 3.38Å; S22-V24 PolarHBondContact OG-N 3.34Å; S22-K25 WeakPolarHBondContact CB-O 3.31Å; S22-K25 PolarHBondContact OG-N 3.38Å; S22-K25 PolarHBondContact OG-O 2.95Å; S22-E168 WeakPolarHBondContact CB-OE1 3.5Å; S22-E168 PolarHBondContact OG-OE1 2.96Å
23T88.9Confident93.9Very high53 Ų5376.3 Ų76.333%0.32540%0.397SS..SBendtrans-72.3-17.6176.156.50000112.4K153 G154 E168T23-K153 HydrophobicContact CG2-CD 4.1Å; T23-K153 HydrophobicContact CG2-CG 3.63Å; T23-G154 VanDerWaalsContact OG1-CA 3.27Å; T23-G154 WeakPolarHBondContact OG1-CA 3.21Å; T23-E168 VanDerWaalsContact CB-OE2 3.28Å; T23-E168 WeakPolarHBondContact CB-OE2 3.43Å; T23-E168 VanDerWaalsContact CG2-OE2 3.26Å; T23-E168 WeakPolarHBondContact CG2-OE2 3.07Å; T23-E168 PolarHBondContact N-OE2 3.31Å; T23-E168 VanDerWaalsContact OG1-CD 3.29Å; T23-E168 PolarHBondContact OG1-OE2 2.83Å
24V88Confident93.9Very high52 Ų5276.1 Ų76.132%0.31540%0.395SS..SBendtrans-77.6-54.8-179.9-173.60000111S22 P38 F155S22-V24 PolarHBondContact O-N 3.38Å; S22-V24 PolarHBondContact OG-N 3.34Å; V24-P38 HydrophobicContact CB-CB 4.07Å; V24-P38 HydrophobicContact CB-CG 4.04Å; V24-P38 HydrophobicContact CG1-CB 4.06Å; V24-P38 HydrophobicContact CG1-CG 4.42Å; V24-P38 HydrophobicContact CG2-CG 4.07Å; V24-F155 HydrophobicContact CG2-CB 3.53Å; V24-F155 HydrophobicContact CG2-CD2 4.31Å; V24-F155 HydrophobicContact CG2-CG 4.33Å
25K90.4Very high94Very high121 Ų12170.8 Ų70.853%0.52637%0.367SS..  trans-174.2168.5-178.559.6-175.4178.4-170.80109.7S22 Y27 P38S22-K25 WeakPolarHBondContact CB-O 3.31Å; S22-K25 PolarHBondContact OG-N 3.38Å; S22-K25 PolarHBondContact OG-O 2.95Å; K25-Y27 PolarHBondContact O-N 3.44Å; K25-P38 HydrophobicContact CD-CB 4.47Å; K25-P38 VanDerWaalsContact CE-O 3.3Å; K25-P38 WeakPolarHBondContact CE-O 3.34Å; K25-P38 HydrophobicContact CG-CB 3.94Å; K25-P38 PolarHBondContact NZ-O 2.85Å
26Q96.4Very high94.2Very high160 Ų16073.4 Ų73.475%0.74838%0.38SS*.PPolyproline II helixtrans-60.2119.5162.1-165.7179.66.700109.1N12N12-Q26 HydrophobicContact CB-CG 3.96Å; N12-Q26 VanDerWaalsContact CG-CG 3.45Å; N12-Q26 WeakPolarHBondContact OD1-CA 3.37Å; N12-Q26 VanDerWaalsContact OD1-CG 3.3Å; N12-Q26 WeakPolarHBondContact OD1-CG 3.26Å
27Y96.5Very high94.4Very high7 Ų767.9 Ų67.93%0.02735%0.35CS..PPolyproline II helixtrans-90.6157.1-179.458.7-94.8000110.7F11 N12 R20 K25 P35 L36 P55 W166F11-Y27 HydrophobicContact CB-CE2 3.69Å; F11-Y27 VanDerWaalsContact CB-OH 3.28Å; F11-Y27 WeakPolarHBondContact CB-OH 3.46Å; F11-Y27 HydrophobicContact CD1-CE2 4.23Å; F11-Y27 VanDerWaalsContact CD1-OH 3.29Å; F11-Y27 WeakPolarHBondContact CD1-OH 3.32Å; F11-Y27 HydrophobicContact CG-CE2 4.07Å; N12-Y27 PolarHBondContact N-OH 3.18Å; N12-Y27 VanDerWaalsContact N-OH 3.12Å; N12-Y27 PolarHBondContact ND2-O 3.16Å; N12-Y27 WeakPolarHBondContact OD1-CD1 3.47Å; N12-Y27 VanDerWaalsContact OD1-CE1 3.28Å; N12-Y27 WeakPolarHBondContact OD1-CE1 3.26Å; N12-Y27 PolarHBondContact OD1-N 3.34Å; R20-Y27 VanDerWaalsContact O-CE1 3.23Å; R20-Y27 WeakPolarHBondContact O-CE1 3.43Å; R20-Y27 PolarHBondContact O-OH 3.1Å; K25-Y27 PolarHBondContact O-N 3.44Å; Y27-P35 HydrophobicContact CD2-CB 3.63Å; Y27-P35 HydrophobicContact CE2-CB 3.31Å; Y27-L36 WeakPolarHBondContact CB-O 3.29Å; Y27-P55 HydrophobicContact CE1-CG 4.15Å; Y27-W166 AromaticContact CD1-CH2 3.73Å; Y27-W166 HydrophobicContact CD1-CH2 3.73Å; Y27-W166 AromaticContact CD1-CZ2 3.69Å; Y27-W166 HydrophobicContact CD1-CZ2 3.69Å; Y27-W166 AromaticContact CD2-CH2 3.98Å; Y27-W166 HydrophobicContact CD2-CH2 3.98Å; Y27-W166 HydrophobicContact CE1-CH2 4.11Å; Y27-W166 HydrophobicContact CE1-CZ2 4.08Å; Y27-W166 HydrophobicContact CE2-CH2 4.38Å; Y27-W166 AromaticContact CG-CH2 3.63Å; Y27-W166 HydrophobicContact CG-CH2 3.63Å; Y27-W166 HydrophobicContact CG-CZ2 4.03Å
28R97.1Very high94.5Very high205 Ų20565.9 Ų65.977%0.77433%0.327SS*.PPolyproline II helixtrans-90.5163.7178.6-61.4180-174178.30.1110.1P35 L36R28-P35 CarbonylContact O-C 3.4Å; R28-L36 HydrophobicContact CB-CD1 4.31Å; R28-L36 WeakPolarHBondContact O-CB 3.49Å; R28-L36 PolarHBondContact O-N 2.79Å
29T95.4Very high94.2Very high69 Ų6971.6 Ų71.642%0.42335%0.351SS..BIsolated β-bridgetrans-104.6152.2163.553.50000110F11 Y34F11-T29 HydrophobicContact CD2-CG2 3.76Å; F11-T29 HydrophobicContact CE2-CG2 4.4Å; F11-T29 HydrophobicContact CG-CG2 4.45Å; T29-Y34 CarbonylContact C-O 3.59Å; T29-Y34 WeakPolarHBondContact CA-O 3.35Å; T29-Y34 WeakPolarHBondContact CB-O 3.41Å
30D93.1Very high93.9Very high34 Ų3472.7 Ų72.718%0.18237%0.366CS..  trans-76.6-179.6169.370.315.7000111.6F32 G33 Y34 L36D30-F32 PolarHBondContact O-N 2.95Å; D30-F32 VanDerWaalsContact O-N 3.17Å; D30-F32 WeakPolarHBondContact OD1-CA 3.48Å; D30-F32 WeakPolarHBondContact OD1-CB 3.25Å; D30-F32 PolarHBondContact OD1-N 3.44Å; D30-G33 PolarHBondContact O-N 3.06Å; D30-G33 PolarHBondContact OD1-N 2.88Å; D30-G33 VanDerWaalsContact OD1-N 3.1Å; D30-Y34 PolarHBondContact N-O 3.14Å; D30-Y34 PolarHBondContact OD1-N 3.19Å; D30-L36 HydrophobicContact CB-CD1 4.33Å; D30-L36 HydrophobicContact CB-CD2 4.09Å; D30-L36 HydrophobicContact CB-CG 4.25Å
31L92.9Very high93.6Very high181 Ų18180.2 Ų80.295%0.94840%0.395SS*.THydrogen-bonded Turntrans-62.7-18.3-179.7-66.1168.3000113.5
32F91.8Very high93.3Very high157 Ų15779.8 Ų79.869%0.68939%0.392SS*.THydrogen-bonded Turntrans-96.63.5176.8-54-74.7000112.1D30 Y34D30-F32 PolarHBondContact O-N 2.95Å; D30-F32 VanDerWaalsContact O-N 3.17Å; D30-F32 WeakPolarHBondContact OD1-CA 3.48Å; D30-F32 WeakPolarHBondContact OD1-CB 3.25Å; D30-F32 PolarHBondContact OD1-N 3.44Å; F32-Y34 HydrophobicContact CB-CD2 3.7Å; F32-Y34 HydrophobicContact CB-CE2 3.76Å
33G93Very high93.1Very high34 Ų3482 Ų8235%0.35142%0.417SS..SBendtrans82.86.3-179.800000114.4F11 D30F11-G33 WeakPolarHBondContact CE2-O 3.31Å; D30-G33 PolarHBondContact O-N 3.06Å; D30-G33 PolarHBondContact OD1-N 2.88Å; D30-G33 VanDerWaalsContact OD1-N 3.1Å
34Y94.8Very high93.3Very high99 Ų9984.4 Ų84.439%0.38843%0.427SS..  trans-79.8140.3177.3-63.8-68000111.1T29 D30 F32 Y53 N164T29-Y34 CarbonylContact C-O 3.59Å; T29-Y34 WeakPolarHBondContact CA-O 3.35Å; T29-Y34 WeakPolarHBondContact CB-O 3.41Å; D30-Y34 PolarHBondContact N-O 3.14Å; D30-Y34 PolarHBondContact OD1-N 3.19Å; F32-Y34 HydrophobicContact CB-CD2 3.7Å; F32-Y34 HydrophobicContact CB-CE2 3.76Å; Y34-Y53 AromaticContact CD1-CD1 3.83Å; Y34-Y53 HydrophobicContact CD1-CD1 3.83Å; Y34-Y53 AromaticContact CD1-CE1 3.52Å; Y34-Y53 HydrophobicContact CD1-CE1 3.52Å; Y34-Y53 HydrophobicContact CD1-CG 4.45Å; Y34-Y53 AromaticContact CD1-CZ 3.93Å; Y34-Y53 HydrophobicContact CE1-CD1 4.42Å; Y34-Y53 AromaticContact CE1-CE1 3.77Å; Y34-Y53 HydrophobicContact CE1-CE1 3.77Å; Y34-Y53 HydrophobicContact CE1-CE2 4.27Å; Y34-Y53 AromaticContact CE1-CZ 3.68Å; Y34-Y53 HydrophobicContact CG-CE1 4.45Å; Y34-N164 WeakPolarHBondContact CB-ND2 3.4Å
35P97.5Very high93.6Very high0 Ų090 Ų900%044%0.442CS..BIsolated β-bridgetrans-64.7147.8177.830-35000110.3F11 Y27 R28 N164 W166F11-P35 HydrophobicContact CD1-CB 4.31Å; F11-P35 HydrophobicContact CD1-CG 4.3Å; F11-P35 HydrophobicContact CE1-CB 4.36Å; F11-P35 HydrophobicContact CE1-CG 3.87Å; F11-P35 HydrophobicContact CZ-CG 4.08Å; Y27-P35 HydrophobicContact CD2-CB 3.63Å; Y27-P35 HydrophobicContact CE2-CB 3.31Å; R28-P35 CarbonylContact O-C 3.4Å; P35-N164 WeakPolarHBondContact CG-O 3.5Å; P35-N164 VanDerWaalsContact O-CA 3.22Å; P35-N164 WeakPolarHBondContact O-CA 3.33Å; P35-N164 WeakPolarHBondContact O-CB 3.27Å; P35-N164 PolarHBondContact O-ND2 2.82Å; P35-W166 HydrophobicContact CB-CH2 4.34Å; P35-W166 HydrophobicContact CB-CZ3 4.33Å
36L97.3Very high93.8Very high66 Ų6685.1 Ų85.135%0.34643%0.427SS..  trans-108.2128.8178.4-70.2174.1000110.1Y27 R28 D30 D163Y27-L36 WeakPolarHBondContact CB-O 3.29Å; R28-L36 HydrophobicContact CB-CD1 4.31Å; R28-L36 WeakPolarHBondContact O-CB 3.49Å; R28-L36 PolarHBondContact O-N 2.79Å; D30-L36 HydrophobicContact CB-CD1 4.33Å; D30-L36 HydrophobicContact CB-CD2 4.09Å; D30-L36 HydrophobicContact CB-CG 4.25Å; L36-D163 CarbonylContact C-O 3.58Å; L36-D163 WeakPolarHBondContact CA-O 3.42Å
37N95.6Very high93.7Very high11 Ų1182.4 Ų82.46%0.05941%0.41CS..  trans-53.2121.6178.9-176.1-26.1000111K39 G40 F155 T162 D163 W166N37-K39 PolarHBondContact O-N 3.5Å; N37-K39 VanDerWaalsContact O-N 3.09Å; N37-K39 WeakPolarHBondContact OD1-CB 3.47Å; N37-K39 PolarHBondContact OD1-N 3.07Å; N37-G40 WeakPolarHBondContact CB-O 3.45Å; N37-G40 PolarHBondContact O-N 3.1Å; N37-F155 WeakPolarHBondContact OD1-CE2 3.49Å; N37-T162 WeakPolarHBondContact CB-O 3.24Å; N37-T162 PolarHBondContact ND2-O 2.92Å; N37-D163 PolarHBondContact N-O 3.41Å; N37-W166 VanDerWaalsContact CA-CZ3 3.5Å; N37-W166 HydrophobicContact CB-CE3 3.88Å; N37-W166 HydrophobicContact CB-CZ3 4.3Å
38P94.1Very high93.5Very high13 Ų1384.7 Ų84.78%0.08444%0.435CS..THydrogen-bonded Turntrans-66.5-15.5-174.127.2-35.8000113V24 K25 W166V24-P38 HydrophobicContact CB-CB 4.07Å; V24-P38 HydrophobicContact CB-CG 4.04Å; V24-P38 HydrophobicContact CG1-CB 4.06Å; V24-P38 HydrophobicContact CG1-CG 4.42Å; V24-P38 HydrophobicContact CG2-CG 4.07Å; K25-P38 HydrophobicContact CD-CB 4.47Å; K25-P38 VanDerWaalsContact CE-O 3.3Å; K25-P38 WeakPolarHBondContact CE-O 3.34Å; K25-P38 HydrophobicContact CG-CB 3.94Å; K25-P38 PolarHBondContact NZ-O 2.85Å; P38-W166 HydrophobicContact CG-CD2 4.48Å; P38-W166 HydrophobicContact CG-CZ2 3.89Å
39K90.1Very high93.3Very high134 Ų13479.7 Ų79.758%0.58343%0.431SS*.THydrogen-bonded Turntrans-93.34.5174.7-65.7-62.7-170.4174.40114.1N37 F155N37-K39 PolarHBondContact O-N 3.5Å; N37-K39 VanDerWaalsContact O-N 3.09Å; N37-K39 WeakPolarHBondContact OD1-CB 3.47Å; N37-K39 PolarHBondContact OD1-N 3.07Å; K39-F155 HydrophobicContact CB-CD2 4.45Å; K39-F155 HydrophobicContact CB-CE1 4.23Å; K39-F155 HydrophobicContact CB-CE2 3.97Å; K39-F155 HydrophobicContact CB-CZ 3.85Å; K39-F155 HydrophobicContact CG-CB 4.47Å; K39-F155 HydrophobicContact CG-CD1 3.75Å; K39-F155 HydrophobicContact CG-CD2 3.6Å; K39-F155 HydrophobicContact CG-CE1 3.76Å; K39-F155 HydrophobicContact CG-CE2 3.6Å; K39-F155 HydrophobicContact CG-CG 3.67Å; K39-F155 HydrophobicContact CG-CZ 3.69Å
40G91.6Very high93.2Very high39 Ų3976.5 Ų76.540%0.40241%0.411SS..  trans99.1-172.1176.300000113N37N37-G40 WeakPolarHBondContact CB-O 3.45Å; N37-G40 PolarHBondContact O-N 3.1Å
41R91.5Very high93.3Very high181 Ų18177.4 Ų77.468%0.68342%0.419SS*.  trans-74.3138.1-177.2-61.3-175.770.3-176.5-5.8110.5D163R41-D163 WeakPolarHBondContact CA-OD1 3.45Å; R41-D163 IonicContact NE-OD2 3.28Å; R41-D163 PolarHBondContact NE-OD2 2.92Å; R41-D163 IonicContact NH2-OD2 3.95Å
42T88.4Confident93.4Very high43 Ų4371.1 Ų71.126%0.26438%0.382SS..  trans-97.6-14.7172.464.30000112.2I44 N161 T162 D163T42-I44 PolarHBondContact OG1-N 3.33Å; T42-I44 PolarHBondContact OG1-O 2.73Å; T42-N161 HydrophobicContact CG2-CB 4.41Å; T42-T162 WeakPolarHBondContact CG2-O 3.34Å; T42-T162 WeakPolarHBondContact OG1-CA 3.43Å; T42-D163 WeakPolarHBondContact CA-OD1 3.4Å; T42-D163 PolarHBondContact N-OD1 2.92Å; T42-D163 PolarHBondContact OG1-N 2.6Å; T42-D163 PolarHBondContact OG1-OD1 3.35Å
43G91.9Very high93.6Very high62 Ų6266.9 Ų66.964%0.63936%0.362SS*.SBendtrans93-11.8-175.100000114D163G43-D163 PolarHBondContact N-OD1 3.2Å
44I91.5Very high93.8Very high105 Ų10565.3 Ų65.354%0.53835%0.346SS..  trans-117.5125.6-178.6-56.4176.6000109.4T42 T162 D163T42-I44 PolarHBondContact OG1-N 3.33Å; T42-I44 PolarHBondContact OG1-O 2.73Å; I44-T162 HydrophobicContact CB-CG2 4.45Å; I44-T162 HydrophobicContact CG2-CG2 4.1Å; I44-T162 WeakPolarHBondContact O-CB 3.25Å; I44-D163 WeakPolarHBondContact O-CB 3.02Å; I44-D163 PolarHBondContact O-N 3.43Å
45R94.1Very high93.9Very high168 Ų16860.6 Ų60.663%0.63433%0.327SS*.  trans-93.8163.7177.1-73.8-175.5172.4-176.5-1.8112.6D163R45-D163 HydrophobicContact CG-CB 4.29Å
46G95Very high93.8Very high20 Ų2060.7 Ų60.721%0.20633%0.328CS..SBendtrans86.9-171178.500000112.6T162 N164G46-T162 WeakPolarHBondContact O-CB 3.37Å; G46-T162 PolarHBondContact O-OG1 2.94Å; G46-N164 PolarHBondContact N-OD1 2.81Å
47R94.5Very high93.7Very high103 Ų10357.9 Ų57.939%0.38931%0.313SS..  trans-83.6-23.4-176-174.9179.462.9138.14.4113.5L50 P51 Y53 A165R47-L50 WeakPolarHBondContact CD-O 3.38Å; R47-L50 HydrophobicContact CG-CB 4.43Å; R47-L50 WeakPolarHBondContact CG-O 3.31Å; R47-L50 PolarHBondContact NE-O 3.26Å; R47-L50 PolarHBondContact NH1-O 3.06Å; R47-L50 PolarHBondContact O-N 3.14Å; R47-P51 VanDerWaalsContact NH1-C 3.28Å; R47-P51 PolarHBondContact NH1-O 3.39Å; R47-Y53 HydrophobicContact CB-CD1 4.18Å; R47-Y53 HydrophobicContact CB-CD2 4.46Å; R47-Y53 HydrophobicContact CB-CE1 3.94Å; R47-Y53 HydrophobicContact CB-CE2 4.2Å; R47-Y53 HydrophobicContact CB-CG 4.45Å; R47-A165 HydrophobicContact CG-CB 4.27Å
48G93.6Very high93.5Very high54 Ų5458 Ų5856%0.55731%0.313SS*.THydrogen-bonded Turntrans59.2-138.2-171.200000112.1L50G48-L50 VanDerWaalsContact C-N 3.34Å
49C91.3Very high93.3Very high101 Ų10157.3 Ų57.368%0.68231%0.309SS*.THydrogen-bonded Turntrans-85.3-217964.70000114.3R160C49-R160 VanDerWaalsContact SG-CG 3.56Å
50L94.6Very high93.1Very high1 Ų151.1 Ų51.11%0.00528%0.282CS..SBendtrans-73150.5178.4-69.4173000111R47 G48 R52 N56 L92 R160 A165 V167R47-L50 WeakPolarHBondContact CD-O 3.38Å; R47-L50 HydrophobicContact CG-CB 4.43Å; R47-L50 WeakPolarHBondContact CG-O 3.31Å; R47-L50 PolarHBondContact NE-O 3.26Å; R47-L50 PolarHBondContact NH1-O 3.06Å; R47-L50 PolarHBondContact O-N 3.14Å; G48-L50 VanDerWaalsContact C-N 3.34Å; L50-R52 VanDerWaalsContact C-N 3.28Å; L50-R52 PolarHBondContact O-N 3.19Å; L50-N56 HydrophobicContact CD2-CB 4.24Å; L50-L92 HydrophobicContact CD2-CD1 4.36Å; L50-R160 HydrophobicContact CD1-CB 4.37Å; L50-R160 WeakPolarHBondContact CD1-O 3.38Å; L50-R160 HydrophobicContact CD2-CB 3.91Å; L50-R160 HydrophobicContact CG-CB 4Å; L50-A165 HydrophobicContact CB-CB 4.24Å; L50-A165 HydrophobicContact CD1-CB 3.76Å; L50-V167 HydrophobicContact CD1-CG2 4.23Å; L50-V167 HydrophobicContact CD2-CG2 3.71Å
51P94.3Very high92.8Very high53 Ų5349.3 Ų49.334%0.34426%0.263SS..SBendtrans-72-20-179.125.4-32.1000113.1R47 N56 L92R47-P51 VanDerWaalsContact NH1-C 3.28Å; R47-P51 PolarHBondContact NH1-O 3.39Å; P51-N56 WeakPolarHBondContact CD-OD1 3.29Å; P51-N56 VanDerWaalsContact CG-OD1 3.28Å; P51-N56 WeakPolarHBondContact CG-OD1 3.47Å; P51-L92 VanDerWaalsContact CD-CD1 3.47Å; P51-L92 HydrophobicContact CG-CD1 3.65Å
52R94.9Very high92.4Very high50 Ų5041 Ų4119%0.18923%0.232CC..SBendtrans-139.1147.4-171.2-49.9173.4-141.2-81.33.7112.6V18 L50 N56 D94 A165V18-R52 VanDerWaalsContact CG1-CD 3.45Å; L50-R52 VanDerWaalsContact C-N 3.28Å; L50-R52 PolarHBondContact O-N 3.19Å; R52-N56 WeakPolarHBondContact CB-OD1 3.27Å; R52-N56 PolarHBondContact N-OD1 2.78Å; R52-N56 PolarHBondContact O-ND2 3.19Å; R52-D94 IonicContact CZ-OD1 3.2Å; R52-D94 IonicContact CZ-OD2 3.1Å; R52-D94 IonicContact NE-OD1 2.83Å; R52-D94 PolarHBondContact NE-OD1 2.99Å; R52-D94 IonicContact NH1-OD1 3.65Å; R52-D94 PolarHBondContact NH1-OD1 3.24Å; R52-D94 IonicContact NH1-OD2 2.73Å; R52-D94 PolarHBondContact NH1-OD2 3.06Å; R52-D94 IonicContact NH2-OD1 3.33Å; R52-D94 PolarHBondContact NH2-OD1 3.07Å; R52-D94 IonicContact NH2-OD2 3.44Å; R52-D94 PolarHBondContact NH2-OD2 3.44Å; R52-A165 VanDerWaalsContact O-CB 3.27Å; R52-A165 WeakPolarHBondContact O-CB 3.47Å
53Y96Very high92.3Very high68 Ų6839 Ų3927%0.26722%0.22SC..SBendtrans-69.2139.4161.3-75.3-80.3000109.9Y34 R47 N164Y34-Y53 AromaticContact CD1-CD1 3.83Å; Y34-Y53 HydrophobicContact CD1-CD1 3.83Å; Y34-Y53 AromaticContact CD1-CE1 3.52Å; Y34-Y53 HydrophobicContact CD1-CE1 3.52Å; Y34-Y53 HydrophobicContact CD1-CG 4.45Å; Y34-Y53 AromaticContact CD1-CZ 3.93Å; Y34-Y53 HydrophobicContact CE1-CD1 4.42Å; Y34-Y53 AromaticContact CE1-CE1 3.77Å; Y34-Y53 HydrophobicContact CE1-CE1 3.77Å; Y34-Y53 HydrophobicContact CE1-CE2 4.27Å; Y34-Y53 AromaticContact CE1-CZ 3.68Å; Y34-Y53 HydrophobicContact CG-CE1 4.45Å; R47-Y53 HydrophobicContact CB-CD1 4.18Å; R47-Y53 HydrophobicContact CB-CD2 4.46Å; R47-Y53 HydrophobicContact CB-CE1 3.94Å; R47-Y53 HydrophobicContact CB-CE2 4.2Å; R47-Y53 HydrophobicContact CB-CG 4.45Å; Y53-N164 HydrophobicContact CD1-CB 3.97Å; Y53-N164 HydrophobicContact CE1-CB 4.24Å
54G96.9Very high92.1Very high0 Ų036.2 Ų36.20%019%0.191CC..EExtended strand (participates in β ladder)trans87.2-148-177.300000112.3N56 N164 A165 W166G54-N56 PolarHBondContact O-ND2 2.86Å; G54-N56 VanDerWaalsContact O-ND2 3.09Å; G54-N164 PolarHBondContact N-O 2.96Å; G54-A165 VanDerWaalsContact O-CA 3.3Å; G54-A165 WeakPolarHBondContact O-CA 3.27Å; G54-W166 PolarHBondContact O-N 3.39Å
55P96.8Very high92Very high1 Ų132.2 Ų32.21%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-69.3137.3179.528.5-32.1000111.1T21 Y27 W166 E168T21-P55 VanDerWaalsContact O-CG 3.25Å; T21-P55 WeakPolarHBondContact O-CG 3.36Å; Y27-P55 HydrophobicContact CE1-CG 4.15Å; P55-W166 CarbonylContact C-O 3.56Å; P55-W166 HydrophobicContact CB-CZ2 4.15Å; P55-W166 HydrophobicContact CG-CZ2 4.32Å; P55-E168 HydrophobicContact CB-CG 4.32Å
56N96.7Very high91.7Very high1 Ų125.1 Ų25.11%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-116.3100.2171.8-70.7-100.3000107L50 P51 R52 G54 L92 W166 V167 E168L50-N56 HydrophobicContact CD2-CB 4.24Å; P51-N56 WeakPolarHBondContact CD-OD1 3.29Å; P51-N56 VanDerWaalsContact CG-OD1 3.28Å; P51-N56 WeakPolarHBondContact CG-OD1 3.47Å; R52-N56 WeakPolarHBondContact CB-OD1 3.27Å; R52-N56 PolarHBondContact N-OD1 2.78Å; R52-N56 PolarHBondContact O-ND2 3.19Å; G54-N56 PolarHBondContact O-ND2 2.86Å; G54-N56 VanDerWaalsContact O-ND2 3.09Å; N56-L92 HydrophobicContact CB-CD2 4.21Å; N56-W166 WeakPolarHBondContact CB-O 3.44Å; N56-W166 PolarHBondContact N-O 3.18Å; N56-W166 PolarHBondContact ND2-O 3.41Å; N56-V167 WeakPolarHBondContact O-CA 3.34Å; N56-E168 PolarHBondContact O-N 3.32Å; N56-E168 VanDerWaalsContact O-N 3.07Å
57H94.4Very high91Very high7 Ų728.7 Ų28.73%0.03216%0.157CC..EExtended strand (participates in β ladder)trans-74.5137.3-175.2-62-64000111.7D19 T21 L92 V93 P96 E168D19-H57 PolarHBondContact O-CD2 2.93Å; D19-H57 VanDerWaalsContact O-CD2 3.27Å; D19-H57 PolarHBondContact O-NE2 3.28Å; T21-H57 PolarHBondContact O-CE1 3.44Å; T21-H57 PolarHBondContact O-NE2 3.5Å; H57-L92 CarbonylContact O-C 3.59Å; H57-L92 VanDerWaalsContact O-CA 3.26Å; H57-L92 WeakPolarHBondContact O-CA 3.2Å; H57-L92 WeakPolarHBondContact O-CD2 3.34Å; H57-V93 HydrophobicContact CB-CG2 4.34Å; H57-V93 PolarHBondContact O-N 3.36Å; H57-P96 HydrophobicContact CB-CB 3.87Å; H57-P96 HydrophobicContact CB-CG 3.83Å; H57-E168 CarbonylContact C-O 3.59Å; H57-E168 VanDerWaalsContact CA-O 3.3Å; H57-E168 WeakPolarHBondContact CA-O 3.44Å; H57-E168 IonicContact CE1-OE2 2.86Å
58Q90.9Very high90.4Very high13 Ų1330.3 Ų30.36%0.06117%0.171CC..EExtended strand (participates in β ladder)trans-127131.5-174.9-174174.136.600109.5I60 T90 E91 L92 V167 E168 S169 T170Q58-I60 HydrophobicContact CG-CG1 4.21Å; Q58-T90 WeakPolarHBondContact CG-OG1 3.28Å; Q58-T90 PolarHBondContact NE2-OG1 2.89Å; Q58-E91 WeakPolarHBondContact CA-O 3.4Å; Q58-L92 HydrophobicContact CB-CD2 3.79Å; Q58-L92 HydrophobicContact CG-CD2 4.21Å; Q58-V167 HydrophobicContact CB-CG1 4.01Å; Q58-V167 VanDerWaalsContact OE1-CG1 3.26Å; Q58-E168 PolarHBondContact N-O 2.88Å; Q58-S169 WeakPolarHBondContact CB-OG 3.44Å; Q58-S169 CarbonylContact O-C 3.59Å; Q58-S169 VanDerWaalsContact O-CA 3.22Å; Q58-S169 WeakPolarHBondContact O-CA 3.11Å; Q58-S169 PolarHBondContact OE1-OG 3.41Å; Q58-T170 PolarHBondContact O-N 2.87Å
59I89.9Confident90Very high0 Ų030.7 Ų30.70%016%0.164CC..EExtended strand (participates in β ladder)trans-94.2130.2167.4-58-58.7000107.8T90 E91 V93 P96 H99 Y172I59-T90 WeakPolarHBondContact O-CA 2.64Å; I59-T90 WeakPolarHBondContact O-CB 3.03Å; I59-T90 PolarHBondContact O-OG1 3.22Å; I59-E91 PolarHBondContact N-O 3.32Å; I59-E91 PolarHBondContact O-N 2.93Å; I59-E91 VanDerWaalsContact O-N 3.09Å; I59-V93 HydrophobicContact CD1-CG2 4.22Å; I59-V93 HydrophobicContact CG1-CG1 3.97Å; I59-V93 HydrophobicContact CG1-CG2 3.77Å; I59-P96 HydrophobicContact CD1-CB 4.36Å; I59-H99 HydrophobicContact CD1-CB 4.2Å; I59-H99 WeakPolarHBondContact CD1-O 3.47Å; I59-H99 HydrophobicContact CG1-CB 3.84Å; I59-Y172 HydrophobicContact CD1-CE2 4.36Å; I59-Y172 HydrophobicContact CG2-CD2 4.26Å
60I85.7Confident89.7Confident3 Ų327 Ų272%0.01514%0.137CC..EExtended strand (participates in β ladder)trans-117.4129.8170.6-58.5178.5000107.4Q58 M88 L89 M156 S169 T170 I171 Y172Q58-I60 HydrophobicContact CG-CG1 4.21Å; I60-M88 HydrophobicContact CD1-CE 4.01Å; I60-M88 HydrophobicContact CG2-CB 3.82Å; I60-M88 HydrophobicContact CG2-CE 4.02Å; I60-M88 HydrophobicContact CG2-CG 4.13Å; I60-M88 HydrophobicContact CG2-SD 3.76Å; I60-L89 WeakPolarHBondContact CA-O 3.3Å; I60-M156 HydrophobicContact CD1-CE 3.71Å; I60-S169 VanDerWaalsContact CD1-OG 3.26Å; I60-S169 WeakPolarHBondContact CD1-OG 3.15Å; I60-T170 PolarHBondContact N-O 2.77Å; I60-I171 HydrophobicContact CB-CB 4.42Å; I60-I171 HydrophobicContact CB-CG1 4.03Å; I60-I171 HydrophobicContact CB-CG2 4.15Å; I60-I171 HydrophobicContact CD1-CD1 4.3Å; I60-I171 HydrophobicContact CD1-CG1 4.21Å; I60-I171 HydrophobicContact CG2-CG2 4.05Å; I60-I171 WeakPolarHBondContact O-CA 3.26Å; I60-Y172 PolarHBondContact O-N 3.07Å
61A85.8Confident89.3Confident1 Ų129.2 Ų29.21%0.00815%0.147CC..EExtended strand (participates in β ladder)trans-124.7138.8174.700000111.7F63 L89 A101 P102 Y172 F174A61-F63 HydrophobicContact CB-CD2 4.27Å; A61-F63 HydrophobicContact CB-CE1 4.4Å; A61-F63 HydrophobicContact CB-CE2 3.36Å; A61-F63 HydrophobicContact CB-CZ 3.45Å; A61-F63 VanDerWaalsContact CB-CZ 3.45Å; A61-L89 PolarHBondContact N-O 3.36Å; A61-L89 PolarHBondContact O-N 3.2Å; A61-A101 HydrophobicContact CB-CB 4.47Å; A61-P102 VanDerWaalsContact CB-CD 3.49Å; A61-P102 HydrophobicContact CB-CG 4.36Å; A61-Y172 CarbonylContact C-O 3.49Å; A61-Y172 VanDerWaalsContact CA-O 3.32Å; A61-Y172 WeakPolarHBondContact CA-O 3.39Å; A61-F174 HydrophobicContact CB-CD2 4.3Å; A61-F174 HydrophobicContact CB-CE2 4Å
62I83.6Confident88.9Confident6 Ų626.9 Ų26.93%0.03113%0.132CC..EExtended strand (participates in β ladder)trans-115.5121.9175.4-65.2158.8000106.4T64 M88 I171 Y172 E173 F174 F252 I256I62-T64 HydrophobicContact CG2-CG2 4.46Å; I62-M88 HydrophobicContact CG1-CG 4.27Å; I62-I171 HydrophobicContact CD1-CG2 4.06Å; I62-Y172 PolarHBondContact N-O 2.92Å; I62-E173 CarbonylContact O-C 3.55Å; I62-E173 WeakPolarHBondContact O-CA 3.13Å; I62-F174 PolarHBondContact O-N 3.08Å; I62-F252 HydrophobicContact CB-CD1 4.42Å; I62-F252 HydrophobicContact CD1-CB 3.86Å; I62-F252 HydrophobicContact CD1-CD1 3.59Å; I62-F252 HydrophobicContact CD1-CE1 4.36Å; I62-F252 HydrophobicContact CD1-CG 3.86Å; I62-F252 HydrophobicContact CG1-CD1 3.98Å; I62-F252 HydrophobicContact CG1-CE1 4.27Å; I62-F252 HydrophobicContact CG1-CG 4.48Å; I62-F252 HydrophobicContact CG2-CD1 3.61Å; I62-F252 HydrophobicContact CG2-CD2 3.59Å; I62-F252 HydrophobicContact CG2-CE1 3.52Å; I62-F252 HydrophobicContact CG2-CE2 3.51Å; I62-F252 HydrophobicContact CG2-CG 3.66Å; I62-F252 HydrophobicContact CG2-CZ 3.47Å; I62-F252 VanDerWaalsContact CG2-CZ 3.47Å; I62-I256 HydrophobicContact CD1-CD1 4.28Å
63F87.1Confident88.6Confident2 Ų224.9 Ų24.91%0.00912%0.124CC..EExtended strand (participates in β ladder)trans-113.6129.3179.2-54.8-93.1000108.8A61 Y72 L73 L89 A101 L105 F109 F174 F182 W198A61-F63 HydrophobicContact CB-CD2 4.27Å; A61-F63 HydrophobicContact CB-CE1 4.4Å; A61-F63 HydrophobicContact CB-CE2 3.36Å; A61-F63 HydrophobicContact CB-CZ 3.45Å; A61-F63 VanDerWaalsContact CB-CZ 3.45Å; F63-Y72 CarbonylContact O-C 3.52Å; F63-Y72 WeakPolarHBondContact O-CA 3.3Å; F63-L73 HydrophobicContact CB-CB 3.92Å; F63-L73 HydrophobicContact CD2-CB 4.5Å; F63-L73 HydrophobicContact CD2-CD2 4.15Å; F63-L73 HydrophobicContact CG-CD2 4.45Å; F63-L73 PolarHBondContact O-N 2.8Å; F63-L89 HydrophobicContact CD2-CD1 3.97Å; F63-L89 HydrophobicContact CE2-CD1 4.03Å; F63-A101 HydrophobicContact CZ-CB 4.17Å; F63-L105 HydrophobicContact CD2-CD2 4.3Å; F63-L105 HydrophobicContact CE2-CD2 3.4Å; F63-L105 VanDerWaalsContact CE2-CD2 3.4Å; F63-L105 HydrophobicContact CZ-CD2 3.8Å; F63-F109 HydrophobicContact CD1-CE2 4Å; F63-F109 HydrophobicContact CD1-CZ 4.41Å; F63-F109 AromaticContact CE1-CE2 3.71Å; F63-F109 HydrophobicContact CE1-CE2 3.71Å; F63-F109 HydrophobicContact CE1-CZ 4.32Å; F63-F109 HydrophobicContact CZ-CE2 4.05Å; F63-F109 HydrophobicContact CZ-CZ 4.38Å; F63-F174 HydrophobicContact CD1-CB 3.71Å; F63-F174 AromaticContact CD1-CD2 3.68Å; F63-F174 HydrophobicContact CD1-CD2 3.68Å; F63-F174 AromaticContact CD1-CG 3.84Å; F63-F174 HydrophobicContact CD1-CG 3.84Å; F63-F174 HydrophobicContact CE1-CB 4.22Å; F63-F174 AromaticContact CE1-CD2 3.36Å; F63-F174 HydrophobicContact CE1-CD2 3.36Å; F63-F174 AromaticContact CE1-CE2 3.83Å; F63-F174 HydrophobicContact CE1-CE2 3.83Å; F63-F174 AromaticContact CE1-CG 3.81Å; F63-F174 HydrophobicContact CE1-CG 3.81Å; F63-F174 HydrophobicContact CG-CB 4.49Å; F63-F174 HydrophobicContact CG-CD2 4.49Å; F63-F174 AromaticContact CZ-CD2 3.97Å; F63-F174 HydrophobicContact CZ-CD2 3.97Å; F63-F174 HydrophobicContact CZ-CE2 4.15Å; F63-F182 HydrophobicContact CD1-CB 4.18Å; F63-F182 AromaticContact CD1-CD2 3.72Å; F63-F182 HydrophobicContact CD1-CD2 3.72Å; F63-F182 HydrophobicContact CD1-CE2 4.48Å; F63-F182 HydrophobicContact CD1-CG 4.26Å; F63-F182 AromaticContact CE1-CD2 3.52Å; F63-F182 HydrophobicContact CE1-CD2 3.52Å; F63-F182 AromaticContact CE1-CE2 3.86Å; F63-F182 HydrophobicContact CE1-CE2 3.86Å; F63-F182 HydrophobicContact CE1-CG 4.24Å; F63-W198 HydrophobicContact CB-CH2 3.95Å; F63-W198 HydrophobicContact CB-CZ3 4.23Å
64T86.9Confident88.1Confident4 Ų421.6 Ų21.63%0.02511%0.112CC..EExtended strand (participates in β ladder)trans-128.8146.2172.258.90000110.8I62 E71 F174 D176 V248 F252I62-T64 HydrophobicContact CG2-CG2 4.46Å; T64-E71 CarbonylContact C-O 3.5Å; T64-E71 WeakPolarHBondContact CA-O 3.32Å; T64-E71 WeakPolarHBondContact CB-O 3.25Å; T64-F174 PolarHBondContact N-O 2.86Å; T64-F174 PolarHBondContact OG1-O 3.31Å; T64-D176 PolarHBondContact O-N 3.44Å; T64-V248 HydrophobicContact CG2-CG1 3.36Å; T64-F252 HydrophobicContact CG2-CE2 3.72Å; T64-F252 HydrophobicContact CG2-CZ 4.39Å
65R89.9Confident87.2Confident21 Ų2122.8 Ų22.88%0.07912%0.12CC..EExtended strand (participates in β ladder)trans-136.4162.5177.575.5178.3-175.5178.20.1111.8E71 D176 V179 G183 E186 W198R65-E71 HydrophobicContact CG-CB 4.07Å; R65-E71 IonicContact CZ-OE2 3.8Å; R65-E71 PolarHBondContact N-O 2.86Å; R65-E71 IonicContact NE-OE2 3.77Å; R65-E71 PolarHBondContact NE-OE2 3.37Å; R65-E71 IonicContact NH2-OE2 3.4Å; R65-E71 PolarHBondContact NH2-OE2 3.23Å; R65-E71 PolarHBondContact O-N 2.84Å; R65-D176 VanDerWaalsContact CA-O 3.3Å; R65-D176 WeakPolarHBondContact CA-O 3.4Å; R65-V179 HydrophobicContact CB-CG2 4.36Å; R65-G183 WeakPolarHBondContact CD-O 3.43Å; R65-G183 PolarHBondContact NH1-O 3.01Å; R65-E186 IonicContact CZ-OE1 3.37Å; R65-E186 IonicContact CZ-OE2 3.25Å; R65-E186 VanDerWaalsContact NH1-CD 3.25Å; R65-E186 IonicContact NH1-OE1 3.38Å; R65-E186 PolarHBondContact NH1-OE1 3.37Å; R65-E186 IonicContact NH1-OE2 2.68Å; R65-E186 PolarHBondContact NH1-OE2 3.44Å; R65-E186 IonicContact NH2-OE1 2.64Å; R65-E186 IonicContact NH2-OE2 2.82Å; R65-E186 PolarHBondContact NH2-OE2 3.28Å; R65-E186 VanDerWaalsContact NH2-OE2 3.1Å; R65-W198 HydrophobicContact CB-CE3 4.38Å; R65-W198 HydrophobicContact CB-CH2 4.1Å; R65-W198 HydrophobicContact CB-CZ3 3.9Å; R65-W198 HydrophobicContact CG-CD2 4.03Å; R65-W198 HydrophobicContact CG-CE3 3.61Å; R65-W198 HydrophobicContact CG-CH2 4.1Å; R65-W198 HydrophobicContact CG-CZ2 4.48Å; R65-W198 HydrophobicContact CG-CZ3 3.65Å; R65-W198 VanDerWaalsContact NE-CD2 3.33Å; R65-W198 VanDerWaalsContact NE-CG 3.34Å
66G88Confident86Confident18 Ų1825.2 Ų25.219%0.18614%0.135CC..EExtended strand (participates in β ladder)trans76.1-173.2174.900000114.3D176G66-D176 PolarHBondContact N-O 2.93Å
67K79.7Confident84.6Confident95 Ų9528 Ų2841%0.41315%0.149SC..SBendtrans-138.4-40-177-69.1177.3-171.7168.80112.2P69 I70 R177K67-P69 CarbonylContact C-O 3.43Å; K67-P69 PolarHBondContact N-O 2.85Å; K67-P69 VanDerWaalsContact N-O 3.13Å; K67-I70 WeakPolarHBondContact O-CG1 3.3Å; K67-R177 WeakPolarHBondContact CE-O 3.42Å; K67-R177 HydrophobicContact CG-CB 4.05Å; K67-R177 WeakPolarHBondContact CG-O 3.28Å
68M81.1Confident83.1Confident138 Ų13828.3 Ų28.368%0.6815%0.151SC*.SBendtrans-153.799.3175.2-66-155.8-56.700108.7K244M68-K244 PolarHBondContact SD-NZ 3.49Å
69P85.4Confident81.4Confident61 Ų6132.6 Ų32.640%0.39617%0.171SC..SBendcis-68.4162.1-4.830-34.2000112.7K67 E71 E200K67-P69 CarbonylContact C-O 3.43Å; K67-P69 PolarHBondContact N-O 2.85Å; K67-P69 VanDerWaalsContact N-O 3.13Å; P69-E71 HydrophobicContact CG-CG 4.41Å; P69-E200 HydrophobicContact CB-CB 4.49Å; P69-E200 HydrophobicContact CB-CG 3.74Å; P69-E200 WeakPolarHBondContact CB-OE1 3.42Å
70I84.4Confident79.5Confident25 Ų2538.9 Ų38.913%0.12820%0.204CC..EExtended strand (participates in β ladder)trans-90.9133.8160-67.4175.4000105.8K67 L201 K244 V248K67-I70 WeakPolarHBondContact O-CG1 3.3Å; I70-L201 HydrophobicContact CB-CB 4.3Å; I70-L201 HydrophobicContact CG2-CB 4.15Å; I70-L201 HydrophobicContact CG2-CD2 4.15Å; I70-L201 WeakPolarHBondContact O-CB 3.5Å; I70-L201 PolarHBondContact O-N 3.15Å; I70-K244 HydrophobicContact CD1-CB 3.91Å; I70-V248 HydrophobicContact CD1-CG2 3.72Å; I70-V248 HydrophobicContact CG2-CG2 3.71Å
71E87.9Confident77.7Confident47 Ų4744.6 Ų44.622%0.2223%0.231CC..EExtended strand (participates in β ladder)trans-117.9153.7176.2-59174125.200110T64 R65 P69 W198 I199T64-E71 CarbonylContact C-O 3.5Å; T64-E71 WeakPolarHBondContact CA-O 3.32Å; T64-E71 WeakPolarHBondContact CB-O 3.25Å; R65-E71 HydrophobicContact CG-CB 4.07Å; R65-E71 IonicContact CZ-OE2 3.8Å; R65-E71 PolarHBondContact N-O 2.86Å; R65-E71 IonicContact NE-OE2 3.77Å; R65-E71 PolarHBondContact NE-OE2 3.37Å; R65-E71 IonicContact NH2-OE2 3.4Å; R65-E71 PolarHBondContact NH2-OE2 3.23Å; R65-E71 PolarHBondContact O-N 2.84Å; P69-E71 HydrophobicContact CG-CG 4.41Å; E71-W198 HydrophobicContact CB-CB 4.21Å; E71-W198 HydrophobicContact CB-CE3 4.19Å; E71-I199 CarbonylContact C-O 3.51Å; E71-I199 WeakPolarHBondContact CA-O 2.94Å
72Y86.1Confident75.7Confident4 Ų447.3 Ų47.32%0.01625%0.25CC..EExtended strand (participates in β ladder)trans-127.7146.1170.466.3-75.5000110.4F63 A74 Y78 I199 L201 M206 R209 F252F63-Y72 CarbonylContact O-C 3.52Å; F63-Y72 WeakPolarHBondContact O-CA 3.3Å; Y72-A74 HydrophobicContact CD2-CB 3.83Å; Y72-A74 HydrophobicContact CE2-CB 3.65Å; Y72-Y78 PolarHBondContact OH-OH 2.97Å; Y72-I199 HydrophobicContact CD1-CB 4.43Å; Y72-I199 WeakPolarHBondContact CD1-O 3.46Å; Y72-I199 HydrophobicContact CE1-CB 3.88Å; Y72-I199 HydrophobicContact CE1-CG2 3.92Å; Y72-I199 WeakPolarHBondContact CE1-O 3.38Å; Y72-I199 HydrophobicContact CE2-CB 4.46Å; Y72-I199 PolarHBondContact N-O 3.47Å; Y72-I199 PolarHBondContact O-N 3.43Å; Y72-L201 HydrophobicContact CD1-CB 4.08Å; Y72-L201 HydrophobicContact CD1-CD1 3.63Å; Y72-L201 HydrophobicContact CD1-CG 4.5Å; Y72-L201 HydrophobicContact CE1-CB 4.46Å; Y72-L201 HydrophobicContact CE1-CD1 3.91Å; Y72-L201 HydrophobicContact CG-CD1 4.42Å; Y72-M206 HydrophobicContact CE1-SD 4.36Å; Y72-R209 PolarHBondContact OH-NH1 3.42Å; Y72-F252 HydrophobicContact CD2-CZ 4.38Å; Y72-F252 HydrophobicContact CG-CZ 4.26Å
73L88Confident73.7Confident7 Ų750.2 Ų50.24%0.03726%0.264CS..EExtended strand (participates in β ladder)trans-84.6123.4179.1-171.567.8000110F63 L89 F109 M187 L196 W198F63-L73 HydrophobicContact CB-CB 3.92Å; F63-L73 HydrophobicContact CD2-CB 4.5Å; F63-L73 HydrophobicContact CD2-CD2 4.15Å; F63-L73 HydrophobicContact CG-CD2 4.45Å; F63-L73 PolarHBondContact O-N 2.8Å; L73-L89 HydrophobicContact CB-CD1 4.42Å; L73-L89 HydrophobicContact CD2-CD1 3.57Å; L73-L89 HydrophobicContact CG-CD1 3.86Å; L73-F109 HydrophobicContact CD2-CE1 3.9Å; L73-F109 HydrophobicContact CD2-CZ 3.56Å; L73-M187 HydrophobicContact CD1-CB 4.17Å; L73-M187 HydrophobicContact CD1-CG 3.95Å; L73-L196 HydrophobicContact CD1-CB 4.03Å; L73-L196 HydrophobicContact CD2-CD1 4.31Å; L73-L196 HydrophobicContact CG-CB 4.48Å; L73-W198 HydrophobicContact CB-CD2 4.32Å; L73-W198 HydrophobicContact CB-CE3 3.96Å; L73-W198 HydrophobicContact CB-CH2 4.08Å; L73-W198 HydrophobicContact CB-CZ2 4.41Å; L73-W198 HydrophobicContact CB-CZ3 3.84Å; L73-W198 HydrophobicContact CD1-CD2 4.08Å; L73-W198 HydrophobicContact CD1-CG 4.33Å; L73-W198 HydrophobicContact CD1-CZ2 4.45Å
74A85Confident72Confident0 Ų051.9 Ų51.90%028%0.278CS..EExtended strand (participates in β ladder)trans-157.4160.9177.200000111.9Y72 Y78 L196 N197 I199Y72-A74 HydrophobicContact CD2-CB 3.83Å; Y72-A74 HydrophobicContact CE2-CB 3.65Å; A74-Y78 HydrophobicContact CB-CD1 3.57Å; A74-Y78 HydrophobicContact CB-CE1 3.23Å; A74-L196 WeakPolarHBondContact O-CA 3.17Å; A74-N197 PolarHBondContact N-O 3.27Å; A74-N197 VanDerWaalsContact N-O 3.13Å; A74-N197 PolarHBondContact O-N 3.03Å; A74-I199 HydrophobicContact CB-CD1 4.19Å
75S78.7Confident70.4Confident24 Ų2452.8 Ų52.817%0.16828%0.281CS..EExtended strand (participates in β ladder)trans-74.8137.2179.2-177.60000112.8D77 Y78 L194 Q195S75-D77 PolarHBondContact O-N 2.94Å; S75-D77 VanDerWaalsContact O-N 3.1Å; S75-Y78 WeakPolarHBondContact O-CD1 3.4Å; S75-Y78 WeakPolarHBondContact O-CE1 3.44Å; S75-Y78 PolarHBondContact O-N 2.85Å; S75-L194 WeakPolarHBondContact CB-O 3.39Å; S75-L194 PolarHBondContact OG-O 3.44Å; S75-Q195 CarbonylContact C-O 3.51Å; S75-Q195 WeakPolarHBondContact CA-O 3.35Å
76V71Confident68.7Low53 Ų5352.1 Ų52.132%0.32128%0.279SS..G310 helixtrans-59.2-30.7178-176.20000111.9Y78 Q79 Q195 N197V76-Y78 PolarHBondContact O-N 2.89Å; V76-Q79 WeakPolarHBondContact O-CG 3.37Å; V76-Q79 PolarHBondContact O-N 3.15Å; V76-Q195 PolarHBondContact N-O 3.09Å; V76-N197 HydrophobicContact CG2-CB 4.31Å
77D66.7Low67.3Low59 Ų5951.6 Ų51.632%0.31627%0.274SS..G310 helixtrans-73.1-16.7-178.7-78-20.4000115.5S75 Q79 N80 H81 Q195S75-D77 PolarHBondContact O-N 2.94Å; S75-D77 VanDerWaalsContact O-N 3.1Å; D77-Q79 PolarHBondContact O-N 2.83Å; D77-Q79 VanDerWaalsContact O-N 3.11Å; D77-N80 PolarHBondContact O-N 3.2Å; D77-N80 VanDerWaalsContact O-N 3.09Å; D77-H81 PolarHBondContact O-ND1 3.13Å; D77-Q195 PolarHBondContact OD1-OE1 3.44Å; D77-Q195 VanDerWaalsContact OD2-CD 3.25Å; D77-Q195 PolarHBondContact OD2-NE2 3.01Å; D77-Q195 PolarHBondContact OD2-OE1 2.74Å
78Y63.5Low66.8Low14 Ų1448.7 Ų48.76%0.05526%0.262CS..G310 helixtrans-63.9-2117880.4-104.1000111.4Y72 A74 S75 V76 N80 H81 I199 R209Y72-Y78 PolarHBondContact OH-OH 2.97Å; A74-Y78 HydrophobicContact CB-CD1 3.57Å; A74-Y78 HydrophobicContact CB-CE1 3.23Å; S75-Y78 WeakPolarHBondContact O-CD1 3.4Å; S75-Y78 WeakPolarHBondContact O-CE1 3.44Å; S75-Y78 PolarHBondContact O-N 2.85Å; V76-Y78 PolarHBondContact O-N 2.89Å; Y78-N80 PolarHBondContact O-N 2.91Å; Y78-H81 PolarHBondContact O-N 2.95Å; Y78-I199 HydrophobicContact CE1-CD1 3.65Å; Y78-I199 VanDerWaalsContact OH-CD1 3.28Å; Y78-I199 WeakPolarHBondContact OH-CD1 3.13Å; Y78-R209 VanDerWaalsContact CE2-NH1 3.27Å; Y78-R209 PolarHBondContact OH-NH1 3.13Å; Y78-R209 PolarHBondContact OH-NH2 3.05Å; Y78-R209 VanDerWaalsContact OH-NH2 3.07Å
79Q54.2Low66.9Low103 Ų10343 Ų4348%0.48123%0.234SC..G310 helixtrans-62.4-27.9178.3-58.1-168.314.700111.9V76 D77V76-Q79 WeakPolarHBondContact O-CG 3.37Å; V76-Q79 PolarHBondContact O-N 3.15Å; D77-Q79 PolarHBondContact O-N 2.83Å; D77-Q79 VanDerWaalsContact O-N 3.11Å
80N51.7Low67Low132 Ų13243.1 Ų43.171%0.70623%0.234SC*.THydrogen-bonded Turntrans-92.3-27.1-178.7-64.4-24.4000112.9D77 Y78D77-N80 PolarHBondContact O-N 3.2Å; D77-N80 VanDerWaalsContact O-N 3.09Å; Y78-N80 PolarHBondContact O-N 2.91Å
81H48.1Very low67.3Low123 Ų12343.6 Ų43.657%0.56924%0.235SC*.  trans-95.6109.5-174.2-70.785.9000111.7D77 Y78 M83 A84D77-H81 PolarHBondContact O-ND1 3.13Å; Y78-H81 PolarHBondContact O-N 2.95Å; H81-M83 PolarHBondContact O-N 2.84Å; H81-A84 HydrophobicContact CB-CB 3.83Å; H81-A84 PolarHBondContact O-N 2.94Å
82S43.3Very low67.6Low58 Ų5843.5 Ų43.541%0.40624%0.236SC..THydrogen-bonded Turntrans-62.9-14.4-17585.80000115.3R216S82-R216 PolarHBondContact O-NH1 2.9Å; S82-R216 PolarHBondContact OG-NH1 2.93Å; S82-R216 PolarHBondContact OG-NH2 3.13Å; S82-R216 VanDerWaalsContact OG-NH2 3.12Å
83M41.9Very low68.1Low66 Ų6643.6 Ų43.633%0.32524%0.237SC..THydrogen-bonded Turntrans-102.8-10.2177.3-71.7-67.1-75.800113.3H81 Y85H81-M83 PolarHBondContact O-N 2.84Å; M83-Y85 HydrophobicContact CE-CE2 4.45Å; M83-Y85 WeakPolarHBondContact O-CD2 3.32Å; M83-Y85 WeakPolarHBondContact O-CE2 3.49Å; M83-Y85 PolarHBondContact O-N 3.42Å
84A49.9Very low68.5Low37 Ų3746.2 Ų46.231%0.30625%0.251SS..SBendtrans-78.779.1170.900000107.7H81 L86 G87H81-A84 HydrophobicContact CB-CB 3.83Å; H81-A84 PolarHBondContact O-N 2.94Å; A84-L86 VanDerWaalsContact C-N 3.33Å; A84-L86 PolarHBondContact O-N 3.18Å; A84-G87 PolarHBondContact O-N 3.49Å
85Y54.4Low68.9Low23 Ų2349.1 Ų49.19%0.0927%0.267CS..G310 helixtrans-52.294.2179.2-60.9-85.6000109.9M83 G87 M88 V213 L255 I259M83-Y85 HydrophobicContact CE-CE2 4.45Å; M83-Y85 WeakPolarHBondContact O-CD2 3.32Å; M83-Y85 WeakPolarHBondContact O-CE2 3.49Å; M83-Y85 PolarHBondContact O-N 3.42Å; Y85-G87 PolarHBondContact O-N 3.07Å; Y85-M88 VanDerWaalsContact O-CG 3.3Å; Y85-M88 WeakPolarHBondContact O-CG 3.45Å; Y85-M88 PolarHBondContact O-N 3.28Å; Y85-V213 HydrophobicContact CD1-CG1 3.4Å; Y85-V213 HydrophobicContact CE1-CG1 3.44Å; Y85-V213 VanDerWaalsContact CE1-CG1 3.44Å; Y85-L255 HydrophobicContact CD1-CD1 4.34Å; Y85-I259 HydrophobicContact CD1-CD1 4.4Å; Y85-I259 HydrophobicContact CD1-CG1 3.49Å; Y85-I259 VanDerWaalsContact CD1-CG1 3.49Å; Y85-I259 HydrophobicContact CD2-CD1 4.39Å; Y85-I259 HydrophobicContact CD2-CG1 3.77Å; Y85-I259 HydrophobicContact CD2-CG2 4.24Å; Y85-I259 HydrophobicContact CE1-CG1 3.9Å; Y85-I259 HydrophobicContact CE2-CG1 4.16Å; Y85-I259 HydrophobicContact CE2-CG2 4.11Å; Y85-I259 HydrophobicContact CG-CD1 3.99Å; Y85-I259 HydrophobicContact CG-CG1 3.43Å; Y85-I259 VanDerWaalsContact CG-CG1 3.43Å
86L52.9Low69.6Low8 Ų848.1 Ų48.14%0.04226%0.26CS..G310 helixtrans53.522.9179.9-76.7159.2000116.6A84 M88 M206 R209 L255A84-L86 VanDerWaalsContact C-N 3.33Å; A84-L86 PolarHBondContact O-N 3.18Å; L86-M88 VanDerWaalsContact C-N 3.27Å; L86-M88 PolarHBondContact O-N 2.91Å; L86-M206 HydrophobicContact CD1-CE 3.45Å; L86-M206 VanDerWaalsContact CD1-CE 3.45Å; L86-M206 HydrophobicContact CD2-CE 3.43Å; L86-M206 VanDerWaalsContact CD2-CE 3.43Å; L86-M206 HydrophobicContact CD2-SD 3.52Å; L86-M206 VanDerWaalsContact CD2-SD 3.52Å; L86-M206 HydrophobicContact CG-CE 4.1Å; L86-R209 HydrophobicContact CD2-CB 4.3Å; L86-L255 HydrophobicContact CB-CD2 3.76Å; L86-L255 HydrophobicContact CD1-CB 4.36Å; L86-L255 HydrophobicContact CD1-CD1 3.69Å; L86-L255 HydrophobicContact CD1-CD2 3.63Å; L86-L255 HydrophobicContact CD1-CG 4.04Å; L86-L255 HydrophobicContact CG-CD1 4.34Å; L86-L255 HydrophobicContact CG-CD2 4.22Å
87G59.9Low70.5Confident7 Ų750 Ų507%0.07228%0.276CS..G310 helixtrans65.729.1179.100000114.5A84 Y85 L89A84-G87 PolarHBondContact O-N 3.49Å; Y85-G87 PolarHBondContact O-N 3.07Å; G87-L89 WeakPolarHBondContact O-CD2 3.36Å; G87-L89 PolarHBondContact O-N 2.76Å
88M68.8Low71.7Confident34 Ų3449.6 Ų49.617%0.16729%0.285CS..  trans-50131.8170.2-75.7-173.2-35.300111.1I60 I62 Y85 L86 L255 I259I60-M88 HydrophobicContact CD1-CE 4.01Å; I60-M88 HydrophobicContact CG2-CB 3.82Å; I60-M88 HydrophobicContact CG2-CE 4.02Å; I60-M88 HydrophobicContact CG2-CG 4.13Å; I60-M88 HydrophobicContact CG2-SD 3.76Å; I62-M88 HydrophobicContact CG1-CG 4.27Å; Y85-M88 VanDerWaalsContact O-CG 3.3Å; Y85-M88 WeakPolarHBondContact O-CG 3.45Å; Y85-M88 PolarHBondContact O-N 3.28Å; L86-M88 VanDerWaalsContact C-N 3.27Å; L86-M88 PolarHBondContact O-N 2.91Å; M88-L255 HydrophobicContact CG-CD2 3.94Å; M88-L255 HydrophobicContact SD-CD2 3.74Å; M88-I259 HydrophobicContact CE-CD1 3.24Å; M88-I259 HydrophobicContact CE-CG1 4.37Å; M88-I259 HydrophobicContact SD-CD1 3.49Å; M88-I259 WeakPolarHBondContact SD-CD1 3.42Å
89L83Confident73.1Confident17 Ų1751.8 Ų51.89%0.08930%0.296CS..EExtended strand (participates in β ladder)trans-89.6125.4-174.5-53.9-179.3000109.1I60 A61 F63 L73 G87 P102 L105 L196I60-L89 WeakPolarHBondContact CA-O 3.3Å; A61-L89 PolarHBondContact N-O 3.36Å; A61-L89 PolarHBondContact O-N 3.2Å; F63-L89 HydrophobicContact CD2-CD1 3.97Å; F63-L89 HydrophobicContact CE2-CD1 4.03Å; L73-L89 HydrophobicContact CB-CD1 4.42Å; L73-L89 HydrophobicContact CD2-CD1 3.57Å; L73-L89 HydrophobicContact CG-CD1 3.86Å; G87-L89 WeakPolarHBondContact O-CD2 3.36Å; G87-L89 PolarHBondContact O-N 2.76Å; L89-P102 HydrophobicContact CB-CG 4.45Å; L89-P102 WeakPolarHBondContact O-CG 3.32Å; L89-L105 HydrophobicContact CB-CD2 3.93Å; L89-L105 HydrophobicContact CD1-CD1 4.31Å; L89-L105 HydrophobicContact CD1-CD2 3.39Å; L89-L105 HydrophobicContact CD1-CG 4.49Å; L89-L105 HydrophobicContact CG-CD2 4.29Å; L89-L196 HydrophobicContact CD1-CD1 3.94Å; L89-L196 HydrophobicContact CD1-CD2 4.36Å; L89-L196 HydrophobicContact CD2-CD1 4.23Å; L89-L196 HydrophobicContact CD2-CD2 3.37Å; L89-L196 HydrophobicContact CD2-CG 4.45Å
90T87.3Confident74.9Confident65 Ų6550.5 Ų50.540%0.39929%0.288SS..EExtended strand (participates in β ladder)trans-144.3150.4-167.5-1700000114.3Q58 I59Q58-T90 WeakPolarHBondContact CG-OG1 3.28Å; Q58-T90 PolarHBondContact NE2-OG1 2.89Å; I59-T90 WeakPolarHBondContact O-CA 2.64Å; I59-T90 WeakPolarHBondContact O-CB 3.03Å; I59-T90 PolarHBondContact O-OG1 3.22Å
91E91.3Very high76.8Confident34 Ų3444.3 Ų44.316%0.15926%0.256CS..EExtended strand (participates in β ladder)trans-150.5139.6175.7-177.7165.2-177.700110.8Q58 I59 P102 P103 K104Q58-E91 WeakPolarHBondContact CA-O 3.4Å; I59-E91 PolarHBondContact N-O 3.32Å; I59-E91 PolarHBondContact O-N 2.93Å; I59-E91 VanDerWaalsContact O-N 3.09Å; E91-P102 HydrophobicContact CB-CB 3.74Å; E91-P103 VanDerWaalsContact OE2-CD 3.28Å; E91-P103 WeakPolarHBondContact OE2-CD 3.16Å; E91-P103 VanDerWaalsContact OE2-N 3.09Å; E91-K104 VanDerWaalsContact OE1-CD 3.32Å; E91-K104 WeakPolarHBondContact OE1-CD 3.2Å; E91-K104 VanDerWaalsContact OE1-CE 3.27Å; E91-K104 WeakPolarHBondContact OE1-CE 3.29Å; E91-K104 VanDerWaalsContact OE1-CG 3.25Å; E91-K104 WeakPolarHBondContact OE1-CG 3.32Å; E91-K104 VanDerWaalsContact OE2-CB 3.3Å; E91-K104 WeakPolarHBondContact OE2-CB 3.36Å; E91-K104 PolarHBondContact OE2-N 3.38Å
92L93.7Very high79Confident45 Ų4538.6 Ų38.624%0.23623%0.23CC..EExtended strand (participates in β ladder)trans-75.4136.2169.7-67.4178000109.7L50 P51 N56 H57 Q58L50-L92 HydrophobicContact CD2-CD1 4.36Å; P51-L92 VanDerWaalsContact CD-CD1 3.47Å; P51-L92 HydrophobicContact CG-CD1 3.65Å; N56-L92 HydrophobicContact CB-CD2 4.21Å; H57-L92 CarbonylContact O-C 3.59Å; H57-L92 VanDerWaalsContact O-CA 3.26Å; H57-L92 WeakPolarHBondContact O-CA 3.2Å; H57-L92 WeakPolarHBondContact O-CD2 3.34Å; Q58-L92 HydrophobicContact CB-CD2 3.79Å; Q58-L92 HydrophobicContact CG-CD2 4.21Å
93V96.2Very high81.4Confident7 Ų737.5 Ų37.54%0.04222%0.221CC..EExtended strand (participates in β ladder)trans-131.6155.9-176.2-60.90000111.3H57 I59 P96 P103H57-V93 HydrophobicContact CB-CG2 4.34Å; H57-V93 PolarHBondContact O-N 3.36Å; I59-V93 HydrophobicContact CD1-CG2 4.22Å; I59-V93 HydrophobicContact CG1-CG1 3.97Å; I59-V93 HydrophobicContact CG1-CG2 3.77Å; V93-P96 HydrophobicContact CG2-CB 4.13Å; V93-P103 HydrophobicContact CG1-CG 3.84Å
94D96.5Very high83.8Confident61 Ų6141.8 Ų41.833%0.32624%0.238SC..SBendtrans-82.2-42.3175.4-83.3-59.5000112.6V18 D19 R52V18-D94 WeakPolarHBondContact CG1-OD1 3.2Å; V18-D94 WeakPolarHBondContact CG2-OD1 3.34Å; D19-D94 WeakPolarHBondContact CB-O 3.35Å; D19-D94 PolarHBondContact N-O 3.19Å; R52-D94 IonicContact CZ-OD1 3.2Å; R52-D94 IonicContact CZ-OD2 3.1Å; R52-D94 IonicContact NE-OD1 2.83Å; R52-D94 PolarHBondContact NE-OD1 2.99Å; R52-D94 IonicContact NH1-OD1 3.65Å; R52-D94 PolarHBondContact NH1-OD1 3.24Å; R52-D94 IonicContact NH1-OD2 2.73Å; R52-D94 PolarHBondContact NH1-OD2 3.06Å; R52-D94 IonicContact NH2-OD1 3.33Å; R52-D94 PolarHBondContact NH2-OD1 3.07Å; R52-D94 IonicContact NH2-OD2 3.44Å; R52-D94 PolarHBondContact NH2-OD2 3.44Å
95D94.8Very high85.8Confident62 Ų6240.2 Ų40.233%0.33222%0.224SC..  trans-115.995176.6171.917.7000109.4S97 G98 H99D95-S97 PolarHBondContact O-N 3.45Å; D95-S97 WeakPolarHBondContact OD1-CA 3.27Å; D95-S97 WeakPolarHBondContact OD1-CB 3.47Å; D95-S97 PolarHBondContact OD1-N 3.15Å; D95-S97 PolarHBondContact OD1-OG 2.76Å; D95-G98 PolarHBondContact O-N 3.5Å; D95-G98 PolarHBondContact OD1-N 3.47Å; D95-G98 WeakPolarHBondContact OD2-CA 3.28Å; D95-G98 PolarHBondContact OD2-N 2.85Å; D95-H99 PolarHBondContact O-CD2 3.47Å
96P92.3Very high87.7Confident2 Ų240 Ų401%0.01322%0.224CC..SBendtrans-66.1-20.517727.4-34.7000113.5D19 H57 I59 V93D19-P96 HydrophobicContact CB-CG 4.43Å; H57-P96 HydrophobicContact CB-CB 3.87Å; H57-P96 HydrophobicContact CB-CG 3.83Å; I59-P96 HydrophobicContact CD1-CB 4.36Å; V93-P96 HydrophobicContact CG2-CB 4.13Å
97S89.9Confident89.8Confident94 Ų9447.3 Ų47.366%0.65726%0.256SS*.THydrogen-bonded Turntrans-76.8-29.2-179.176.10000112.5D95 H99D95-S97 PolarHBondContact O-N 3.45Å; D95-S97 WeakPolarHBondContact OD1-CA 3.27Å; D95-S97 WeakPolarHBondContact OD1-CB 3.47Å; D95-S97 PolarHBondContact OD1-N 3.15Å; D95-S97 PolarHBondContact OD1-OG 2.76Å; S97-H99 VanDerWaalsContact C-N 3.27Å; S97-H99 PolarHBondContact O-N 3.1Å
98G92Very high91.3Very high50 Ų5049 Ų4952%0.51526%0.262SS..THydrogen-bonded Turntrans-77.5-1.7176.700000115.4D95D95-G98 PolarHBondContact O-N 3.5Å; D95-G98 PolarHBondContact OD1-N 3.47Å; D95-G98 WeakPolarHBondContact OD2-CA 3.28Å; D95-G98 PolarHBondContact OD2-N 2.85Å
99H93.4Very high92.5Very high60 Ų6047.5 Ų47.528%0.27825%0.254SS..  trans-133.8130.4-171.8-60.6-49.7000113.5I59 D95 S97I59-H99 HydrophobicContact CD1-CB 4.2Å; I59-H99 WeakPolarHBondContact CD1-O 3.47Å; I59-H99 HydrophobicContact CG1-CB 3.84Å; D95-H99 PolarHBondContact O-CD2 3.47Å; S97-H99 VanDerWaalsContact C-N 3.27Å; S97-H99 PolarHBondContact O-N 3.1Å
100K91.8Very high93.1Very high75 Ų7550.1 Ų50.133%0.32626%0.263SS..SBendtrans-109.3-8.4171.3-57.9-169.3-175.6-177.80114F130 Y172 F174K100-F130 HydrophobicContact CB-CD1 4.37Å; K100-F130 HydrophobicContact CB-CE1 4.14Å; K100-F130 HydrophobicContact CB-CE2 4.48Å; K100-F130 HydrophobicContact CB-CZ 4.19Å; K100-F130 HydrophobicContact CD-CB 4.22Å; K100-F130 HydrophobicContact CD-CD2 4.3Å; K100-F130 HydrophobicContact CD-CG 4.12Å; K100-F130 PolarHBondContact NZ-O 3.38Å; K100-Y172 HydrophobicContact CB-CD1 4.06Å; K100-Y172 HydrophobicContact CB-CD2 4.43Å; K100-Y172 HydrophobicContact CB-CE1 4.01Å; K100-Y172 HydrophobicContact CB-CE2 4.39Å; K100-Y172 HydrophobicContact CB-CG 4.27Å; K100-Y172 HydrophobicContact CD-CE1 4.23Å; K100-Y172 HydrophobicContact CG-CD1 4.35Å; K100-Y172 HydrophobicContact CG-CE1 3.85Å; K100-Y172 VanDerWaalsContact O-CB 3.29Å; K100-Y172 WeakPolarHBondContact O-CB 3.33Å; K100-Y172 WeakPolarHBondContact O-CD2 3.33Å; K100-F174 HydrophobicContact CB-CZ 4.22Å; K100-F174 WeakPolarHBondContact O-CE2 3.32Å; K100-F174 VanDerWaalsContact O-CZ 3.32Å; K100-F174 WeakPolarHBondContact O-CZ 3.4Å
101A92.5Very high93.5Very high2 Ų254.3 Ų54.32%0.01728%0.275CS..SBendtrans-144.9154.4177.400000109A61 F63 P103 F130 F174A61-A101 HydrophobicContact CB-CB 4.47Å; F63-A101 HydrophobicContact CZ-CB 4.17Å; A101-P103 WeakPolarHBondContact O-CD 3.41Å; A101-F130 HydrophobicContact CB-CE1 4.38Å; A101-F174 HydrophobicContact CB-CE2 4.23Å; A101-F174 HydrophobicContact CB-CZ 4.28Å
102P92.8Very high93.6Very high4 Ų454.4 Ų54.43%0.02628%0.276CS..  trans-51.7119.7174.3-28.435.8000111.5A61 L89 E91 K104 L105 L106A61-P102 VanDerWaalsContact CB-CD 3.49Å; A61-P102 HydrophobicContact CB-CG 4.36Å; L89-P102 HydrophobicContact CB-CG 4.45Å; L89-P102 WeakPolarHBondContact O-CG 3.32Å; E91-P102 HydrophobicContact CB-CB 3.74Å; P102-K104 PolarHBondContact O-N 3.19Å; P102-L105 HydrophobicContact CB-CB 3.98Å; P102-L105 WeakPolarHBondContact O-CB 3.47Å; P102-L105 PolarHBondContact O-N 2.79Å; P102-L105 VanDerWaalsContact O-N 3.07Å; P102-L106 PolarHBondContact O-N 2.99Å
103P95Very high93.7Very high35 Ų3552.4 Ų52.423%0.22727%0.266CS..Hα-helixtrans-53.2-43.2-174.1-31.536000115.3E91 V93 A101 L105 L106 K107E91-P103 VanDerWaalsContact OE2-CD 3.28Å; E91-P103 WeakPolarHBondContact OE2-CD 3.16Å; E91-P103 VanDerWaalsContact OE2-N 3.09Å; V93-P103 HydrophobicContact CG1-CG 3.84Å; A101-P103 WeakPolarHBondContact O-CD 3.41Å; P103-L105 VanDerWaalsContact C-N 3.35Å; P103-L105 PolarHBondContact O-N 2.78Å; P103-L106 PolarHBondContact O-N 2.88Å; P103-K107 WeakPolarHBondContact O-CB 3.3Å; P103-K107 PolarHBondContact O-N 3.34Å
104K92.3Very high93.8Very high155 Ų15555.6 Ų55.667%0.67428%0.282SS*.Hα-helixtrans-63.4-41.2177.3-73.4168.4-171.4-179.10111.7E91 P102 K107 K108E91-K104 VanDerWaalsContact OE1-CD 3.32Å; E91-K104 WeakPolarHBondContact OE1-CD 3.2Å; E91-K104 VanDerWaalsContact OE1-CE 3.27Å; E91-K104 WeakPolarHBondContact OE1-CE 3.29Å; E91-K104 VanDerWaalsContact OE1-CG 3.25Å; E91-K104 WeakPolarHBondContact OE1-CG 3.32Å; E91-K104 VanDerWaalsContact OE2-CB 3.3Å; E91-K104 WeakPolarHBondContact OE2-CB 3.36Å; E91-K104 PolarHBondContact OE2-N 3.38Å; P102-K104 PolarHBondContact O-N 3.19Å; K104-K107 PolarHBondContact O-N 2.79Å; K104-K108 PolarHBondContact O-N 3.37Å
105L91.7Very high93.7Very high5 Ų560.3 Ų60.33%0.02630%0.3CS..Hα-helixtrans-66.2-45.4176.8-17666.8000111F63 L89 P102 P103 K107 K108 F109 L194 L196F63-L105 HydrophobicContact CD2-CD2 4.3Å; F63-L105 HydrophobicContact CE2-CD2 3.4Å; F63-L105 VanDerWaalsContact CE2-CD2 3.4Å; F63-L105 HydrophobicContact CZ-CD2 3.8Å; L89-L105 HydrophobicContact CB-CD2 3.93Å; L89-L105 HydrophobicContact CD1-CD1 4.31Å; L89-L105 HydrophobicContact CD1-CD2 3.39Å; L89-L105 HydrophobicContact CD1-CG 4.49Å; L89-L105 HydrophobicContact CG-CD2 4.29Å; P102-L105 HydrophobicContact CB-CB 3.98Å; P102-L105 WeakPolarHBondContact O-CB 3.47Å; P102-L105 PolarHBondContact O-N 2.79Å; P102-L105 VanDerWaalsContact O-N 3.07Å; P103-L105 VanDerWaalsContact C-N 3.35Å; P103-L105 PolarHBondContact O-N 2.78Å; L105-K107 VanDerWaalsContact C-N 3.33Å; L105-K107 PolarHBondContact O-N 2.78Å; L105-K108 WeakPolarHBondContact O-CA 3.22Å; L105-K108 WeakPolarHBondContact O-CB 3.33Å; L105-K108 PolarHBondContact O-N 2.94Å; L105-K108 VanDerWaalsContact O-N 3.07Å; L105-F109 HydrophobicContact CD1-CD1 4.1Å; L105-F109 HydrophobicContact CD1-CE1 3.54Å; L105-F109 HydrophobicContact CD1-CZ 4.14Å; L105-F109 HydrophobicContact CD2-CE1 4.29Å; L105-F109 HydrophobicContact CD2-CZ 4.05Å; L105-F109 HydrophobicContact CG-CD1 4.18Å; L105-F109 HydrophobicContact CG-CE1 3.73Å; L105-F109 HydrophobicContact CG-CZ 3.95Å; L105-F109 WeakPolarHBondContact O-CD1 3.41Å; L105-F109 PolarHBondContact O-N 3.03Å; L105-L194 HydrophobicContact CD1-CD1 4.21Å; L105-L196 HydrophobicContact CD1-CD1 3.49Å; L105-L196 VanDerWaalsContact CD1-CD1 3.49Å
106L94.8Very high93.8Very high17 Ų1761.9 Ų61.99%0.08932%0.316CS..Hα-helixtrans-62.7-40.1178.4-175.865.8000111.7P102 P103 K108 F109 R110 I126 F130 F182P102-L106 PolarHBondContact O-N 2.99Å; P103-L106 PolarHBondContact O-N 2.88Å; L106-K108 VanDerWaalsContact C-N 3.29Å; L106-K108 PolarHBondContact O-N 3.32Å; L106-F109 PolarHBondContact O-N 3.29Å; L106-R110 VanDerWaalsContact CD2-NH1 3.29Å; L106-R110 PolarHBondContact O-N 3.42Å; L106-I126 HydrophobicContact CD1-CD1 4.38Å; L106-I126 HydrophobicContact CD1-CG2 4.23Å; L106-F130 HydrophobicContact CD1-CE1 4.39Å; L106-F130 HydrophobicContact CD1-CZ 4.21Å; L106-F130 HydrophobicContact CD2-CE2 4.46Å; L106-F130 HydrophobicContact CD2-CZ 3.78Å; L106-F182 HydrophobicContact CD1-CE1 3.97Å; L106-F182 HydrophobicContact CD1-CZ 3.79Å
107K95.1Very high94.1Very high163 Ų16366.2 Ų66.271%0.70933%0.333SS*.Hα-helixtrans-59.7-40.3172.3-176177.1-179.4177.60111.5P103 K104 L105 K111P103-K107 WeakPolarHBondContact O-CB 3.3Å; P103-K107 PolarHBondContact O-N 3.34Å; K104-K107 PolarHBondContact O-N 2.79Å; L105-K107 VanDerWaalsContact C-N 3.33Å; L105-K107 PolarHBondContact O-N 2.78Å; K107-K111 PolarHBondContact O-N 3.3Å; K107-K111 VanDerWaalsContact O-N 3.07Å
108K92Very high94.4Very high43 Ų4365.5 Ų65.519%0.18733%0.328CS..Hα-helixtrans-66.8-43.3176.3-167.9169.9-170.71670112.1K104 L105 L106 K111 I112K104-K108 PolarHBondContact O-N 3.37Å; L105-K108 WeakPolarHBondContact O-CA 3.22Å; L105-K108 WeakPolarHBondContact O-CB 3.33Å; L105-K108 PolarHBondContact O-N 2.94Å; L105-K108 VanDerWaalsContact O-N 3.07Å; L106-K108 VanDerWaalsContact C-N 3.29Å; L106-K108 PolarHBondContact O-N 3.32Å; K108-K111 PolarHBondContact O-N 3.29Å; K108-I112 HydrophobicContact CG-CD1 4.13Å; K108-I112 WeakPolarHBondContact O-CG1 3.07Å; K108-I112 PolarHBondContact O-N 2.83Å
109F94.6Very high94.7Very high1 Ų168.2 Ų68.20%0.00433%0.327CS..Hα-helixtrans-57.5-49.3174.2-75.910.1000111.1F63 L73 L105 L106 K111 I112 L113 F182 V185 M187F63-F109 HydrophobicContact CD1-CE2 4Å; F63-F109 HydrophobicContact CD1-CZ 4.41Å; F63-F109 AromaticContact CE1-CE2 3.71Å; F63-F109 HydrophobicContact CE1-CE2 3.71Å; F63-F109 HydrophobicContact CE1-CZ 4.32Å; F63-F109 HydrophobicContact CZ-CE2 4.05Å; F63-F109 HydrophobicContact CZ-CZ 4.38Å; L73-F109 HydrophobicContact CD2-CE1 3.9Å; L73-F109 HydrophobicContact CD2-CZ 3.56Å; L105-F109 HydrophobicContact CD1-CD1 4.1Å; L105-F109 HydrophobicContact CD1-CE1 3.54Å; L105-F109 HydrophobicContact CD1-CZ 4.14Å; L105-F109 HydrophobicContact CD2-CE1 4.29Å; L105-F109 HydrophobicContact CD2-CZ 4.05Å; L105-F109 HydrophobicContact CG-CD1 4.18Å; L105-F109 HydrophobicContact CG-CE1 3.73Å; L105-F109 HydrophobicContact CG-CZ 3.95Å; L105-F109 WeakPolarHBondContact O-CD1 3.41Å; L105-F109 PolarHBondContact O-N 3.03Å; L106-F109 PolarHBondContact O-N 3.29Å; F109-K111 PolarHBondContact O-N 3.49Å; F109-I112 PolarHBondContact O-N 2.79Å; F109-I112 VanDerWaalsContact O-N 3.14Å; F109-L113 WeakPolarHBondContact O-CG 3.3Å; F109-L113 PolarHBondContact O-N 3.18Å; F109-F182 HydrophobicContact CD2-CB 4.28Å; F109-F182 AromaticContact CD2-CD1 3.36Å; F109-F182 HydrophobicContact CD2-CD1 3.36Å; F109-F182 AromaticContact CD2-CE1 3.68Å; F109-F182 HydrophobicContact CD2-CE1 3.68Å; F109-F182 AromaticContact CD2-CG 3.84Å; F109-F182 HydrophobicContact CD2-CG 3.84Å; F109-F182 HydrophobicContact CD2-CZ 4.41Å; F109-F182 HydrophobicContact CE2-CB 3.89Å; F109-F182 AromaticContact CE2-CD1 3.78Å; F109-F182 HydrophobicContact CE2-CD1 3.78Å; F109-F182 HydrophobicContact CE2-CD2 4.27Å; F109-F182 HydrophobicContact CE2-CE1 4.34Å; F109-F182 AromaticContact CE2-CG 3.74Å; F109-F182 HydrophobicContact CE2-CG 3.74Å; F109-F182 HydrophobicContact CG-CD1 4.44Å; F109-V185 HydrophobicContact CB-CG2 4.09Å; F109-V185 HydrophobicContact CD1-CB 4.34Å; F109-V185 HydrophobicContact CD1-CG1 3.77Å; F109-V185 HydrophobicContact CD1-CG2 4.29Å; F109-V185 HydrophobicContact CD2-CG2 4.33Å; F109-V185 HydrophobicContact CE1-CG1 4.17Å; F109-V185 HydrophobicContact CG-CG1 4.29Å; F109-V185 HydrophobicContact CG-CG2 3.99Å; F109-M187 HydrophobicContact CD1-CE 3.49Å; F109-M187 VanDerWaalsContact CD1-CE 3.49Å; F109-M187 HydrophobicContact CE1-CE 3.32Å
110R96.2Very high95Very high72 Ų7268.5 Ų68.527%0.27234%0.339SS..Hα-helixtrans-52.2-51.8174.1-82.2-174171.899.32.1111.8L106 I112 L113 L114 V122 E123 I126L106-R110 VanDerWaalsContact CD2-NH1 3.29Å; L106-R110 PolarHBondContact O-N 3.42Å; R110-I112 VanDerWaalsContact C-N 3.27Å; R110-I112 PolarHBondContact O-N 2.86Å; R110-L113 PolarHBondContact O-N 3.09Å; R110-L114 WeakPolarHBondContact O-CB 3.36Å; R110-L114 VanDerWaalsContact O-CG 3.25Å; R110-L114 WeakPolarHBondContact O-CG 3.45Å; R110-L114 PolarHBondContact O-N 3.38Å; R110-V122 HydrophobicContact CB-CG1 4.48Å; R110-V122 HydrophobicContact CG-CG1 4.09Å; R110-E123 IonicContact CZ-OE1 3.57Å; R110-E123 IonicContact CZ-OE2 3.59Å; R110-E123 IonicContact NE-OE1 2.73Å; R110-E123 PolarHBondContact NE-OE1 3.41Å; R110-E123 IonicContact NE-OE2 3.56Å; R110-E123 IonicContact NH2-OE1 3.73Å; R110-E123 IonicContact NH2-OE2 3.63Å; R110-E123 PolarHBondContact NH2-OE2 2.87Å; R110-I126 HydrophobicContact CG-CD1 3.27Å; R110-I126 VanDerWaalsContact NE-CD1 3.34Å
111K94.8Very high95.3Very high153 Ų15366.3 Ų66.367%0.66534%0.335SS*.Hα-helixtrans-58.4-37.6-179.8-176.3178.3179.1179.90112.7K107 K108 F109K107-K111 PolarHBondContact O-N 3.3Å; K107-K111 VanDerWaalsContact O-N 3.07Å; K108-K111 PolarHBondContact O-N 3.29Å; F109-K111 PolarHBondContact O-N 3.49Å
112I93.4Very high95.5Very high36 Ų3666.2 Ų66.219%0.18534%0.335CS..Hα-helixtrans-73.1-46.7179.2-68.7162.8000110.6K108 F109 R110 L114 K115 V185 M187K108-I112 HydrophobicContact CG-CD1 4.13Å; K108-I112 WeakPolarHBondContact O-CG1 3.07Å; K108-I112 PolarHBondContact O-N 2.83Å; F109-I112 PolarHBondContact O-N 2.79Å; F109-I112 VanDerWaalsContact O-N 3.14Å; R110-I112 VanDerWaalsContact C-N 3.27Å; R110-I112 PolarHBondContact O-N 2.86Å; I112-L114 VanDerWaalsContact C-N 3.29Å; I112-L114 PolarHBondContact O-N 2.97Å; I112-K115 VanDerWaalsContact O-CB 3.32Å; I112-K115 WeakPolarHBondContact O-CB 3.31Å; I112-K115 WeakPolarHBondContact O-CG 2.98Å; I112-K115 PolarHBondContact O-N 3.26Å; I112-K115 VanDerWaalsContact O-N 3.12Å; I112-V185 HydrophobicContact CB-CG1 4.04Å; I112-V185 HydrophobicContact CD1-CG1 3.68Å; I112-V185 HydrophobicContact CG1-CG1 4.49Å; I112-V185 HydrophobicContact CG2-CG1 3.88Å; I112-M187 HydrophobicContact CD1-CE 3.67Å; I112-M187 HydrophobicContact CD1-SD 4.02Å
113L96.2Very high95.8Very high3 Ų369.1 Ų69.12%0.01635%0.348CS..Hα-helixtrans-62.3-37.5179.5-66.5169.4000111.9F109 R110 K115 S116 Y117 V122 I125 L184 V185F109-L113 WeakPolarHBondContact O-CG 3.3Å; F109-L113 PolarHBondContact O-N 3.18Å; R110-L113 PolarHBondContact O-N 3.09Å; L113-K115 PolarHBondContact O-N 3.09Å; L113-S116 PolarHBondContact O-N 3.07Å; L113-Y117 HydrophobicContact CB-CD2 4.24Å; L113-Y117 HydrophobicContact CD2-CD2 4.1Å; L113-Y117 HydrophobicContact CD2-CE2 4.06Å; L113-Y117 WeakPolarHBondContact O-CD2 3.36Å; L113-Y117 PolarHBondContact O-N 3.04Å; L113-V122 HydrophobicContact CB-CG1 4.15Å; L113-V122 HydrophobicContact CB-CG2 3.68Å; L113-V122 HydrophobicContact CD1-CG1 4.27Å; L113-I125 HydrophobicContact CD1-CG2 3.82Å; L113-L184 HydrophobicContact CD2-CB 3.96Å; L113-V185 HydrophobicContact CD1-CG2 4.11Å; L113-V185 HydrophobicContact CD2-CG2 3.83Å; L113-V185 HydrophobicContact CG-CG2 3.82Å
114L97.2Very high95.9Very high74 Ų7472.9 Ų72.939%0.38737%0.366SS..THydrogen-bonded Turntrans-62-11.6177.2-74.8170.3000114.4R110 I112 S116 Q119 V122R110-L114 WeakPolarHBondContact O-CB 3.36Å; R110-L114 VanDerWaalsContact O-CG 3.25Å; R110-L114 WeakPolarHBondContact O-CG 3.45Å; R110-L114 PolarHBondContact O-N 3.38Å; I112-L114 VanDerWaalsContact C-N 3.29Å; I112-L114 PolarHBondContact O-N 2.97Å; L114-S116 VanDerWaalsContact C-N 3.29Å; L114-Q119 HydrophobicContact CD2-CB 4.38Å; L114-V122 HydrophobicContact CD2-CB 4.25Å; L114-V122 HydrophobicContact CD2-CG2 3.74Å; L114-V122 HydrophobicContact CG-CG2 4Å
115K95.6Very high96.2Very high160 Ų16066.4 Ų66.470%0.69634%0.339SS*.THydrogen-bonded Turntrans-73.4-22.9171.8-61.9-178.5177.2-175.40112.9I112 L113I112-K115 VanDerWaalsContact O-CB 3.32Å; I112-K115 WeakPolarHBondContact O-CB 3.31Å; I112-K115 WeakPolarHBondContact O-CG 2.98Å; I112-K115 PolarHBondContact O-N 3.26Å; I112-K115 VanDerWaalsContact O-N 3.12Å; L113-K115 PolarHBondContact O-N 3.09Å
116S96.3Very high96.4Very high96 Ų9666.3 Ų66.367%0.67134%0.338SS*.THydrogen-bonded Turntrans-126.6-13.3-172.5-52.90000113.6L113 L114L113-S116 PolarHBondContact O-N 3.07Å; L114-S116 VanDerWaalsContact C-N 3.29Å
117Y97.7Very high96.4Very high93 Ų9371.5 Ų71.537%0.36536%0.362SS..SBendtrans-132.7151.1-174.5-58.8-78.5000111.2L113 I125 L184L113-Y117 HydrophobicContact CB-CD2 4.24Å; L113-Y117 HydrophobicContact CD2-CD2 4.1Å; L113-Y117 HydrophobicContact CD2-CE2 4.06Å; L113-Y117 WeakPolarHBondContact O-CD2 3.36Å; L113-Y117 PolarHBondContact O-N 3.04Å; Y117-I125 HydrophobicContact CD1-CD1 4.28Å; Y117-I125 HydrophobicContact CD2-CD1 4.2Å; Y117-I125 HydrophobicContact CE1-CD1 4.46Å; Y117-I125 HydrophobicContact CE2-CD1 4.39Å; Y117-I125 HydrophobicContact CG-CD1 4.16Å; Y117-L184 HydrophobicContact CE2-CD1 4.37Å
118S98Very high96.4Very high78 Ų7865.5 Ų65.555%0.54534%0.343SS..  trans-68.5160173.169.60000111.7A120 A121 V122S118-A120 VanDerWaalsContact C-N 3.26Å; S118-A120 PolarHBondContact O-N 3.41Å; S118-A121 PolarHBondContact O-N 3.46Å; S118-A121 VanDerWaalsContact O-N 3.12Å; S118-A121 WeakPolarHBondContact OG-CB 3.44Å; S118-A121 PolarHBondContact OG-N 3.22Å; S118-V122 WeakPolarHBondContact O-CG2 3.4Å; S118-V122 PolarHBondContact O-N 3.5Å
119Q98.3Very high96.4Very high108 Ų10863.6 Ų63.651%0.50534%0.335SS..Hα-helixtrans-52.7-43.7177.3-1786531.500112.6L114 V122 E123L114-Q119 HydrophobicContact CD2-CB 4.38Å; Q119-V122 PolarHBondContact O-N 3.11Å; Q119-E123 PolarHBondContact NE2-OE1 3.46Å; Q119-E123 PolarHBondContact O-N 2.81Å; Q119-E123 VanDerWaalsContact O-N 3.1Å
120A98.2Very high96.3Very high65 Ų6565.1 Ų65.154%0.53734%0.342SS..Hα-helixtrans-62.9-47.8177.900000111.8S118 V122 E123 D124S118-A120 VanDerWaalsContact C-N 3.26Å; S118-A120 PolarHBondContact O-N 3.41Å; A120-V122 VanDerWaalsContact C-N 3.29Å; A120-V122 PolarHBondContact O-N 3.48Å; A120-E123 PolarHBondContact O-N 3.49Å; A120-D124 PolarHBondContact O-N 3.27Å
121A98Very high95.9Very high29 Ų2965.5 Ų65.524%0.2436%0.36CS..Hα-helixtrans-62.6-35.7178.300000112.4S118 D124 I125S118-A121 PolarHBondContact O-N 3.46Å; S118-A121 VanDerWaalsContact O-N 3.12Å; S118-A121 WeakPolarHBondContact OG-CB 3.44Å; S118-A121 PolarHBondContact OG-N 3.22Å; A121-D124 PolarHBondContact O-N 3.37Å; A121-I125 WeakPolarHBondContact O-CB 3.37Å; A121-I125 WeakPolarHBondContact O-CD1 3.28Å; A121-I125 VanDerWaalsContact O-CG1 3.26Å; A121-I125 WeakPolarHBondContact O-CG1 3.25Å; A121-I125 PolarHBondContact O-N 3.33Å
122V98.3Very high95.2Very high0 Ų062.1 Ų62.10%035%0.353CS..Hα-helixtrans-64.8-43.6174.9173.80000111.7R110 L113 L114 S118 Q119 A120 I125 I126R110-V122 HydrophobicContact CB-CG1 4.48Å; R110-V122 HydrophobicContact CG-CG1 4.09Å; L113-V122 HydrophobicContact CB-CG1 4.15Å; L113-V122 HydrophobicContact CB-CG2 3.68Å; L113-V122 HydrophobicContact CD1-CG1 4.27Å; L114-V122 HydrophobicContact CD2-CB 4.25Å; L114-V122 HydrophobicContact CD2-CG2 3.74Å; L114-V122 HydrophobicContact CG-CG2 4Å; S118-V122 WeakPolarHBondContact O-CG2 3.4Å; S118-V122 PolarHBondContact O-N 3.5Å; Q119-V122 PolarHBondContact O-N 3.11Å; A120-V122 VanDerWaalsContact C-N 3.29Å; A120-V122 PolarHBondContact O-N 3.48Å; V122-I125 PolarHBondContact O-N 2.96Å; V122-I126 HydrophobicContact CG1-CD1 3.91Å; V122-I126 VanDerWaalsContact O-CG1 3.29Å; V122-I126 WeakPolarHBondContact O-CG1 3.5Å; V122-I126 PolarHBondContact O-N 2.71Å
123E98Very high94.6Very high65 Ų6561.4 Ų61.430%0.30435%0.35SS..Hα-helixtrans-67.7-36.3176.8-65.4-52.4139.800111.8R110 Q119 A120 I126 Q127R110-E123 IonicContact CZ-OE1 3.57Å; R110-E123 IonicContact CZ-OE2 3.59Å; R110-E123 IonicContact NE-OE1 2.73Å; R110-E123 PolarHBondContact NE-OE1 3.41Å; R110-E123 IonicContact NE-OE2 3.56Å; R110-E123 IonicContact NH2-OE1 3.73Å; R110-E123 IonicContact NH2-OE2 3.63Å; R110-E123 PolarHBondContact NH2-OE2 2.87Å; Q119-E123 PolarHBondContact NE2-OE1 3.46Å; Q119-E123 PolarHBondContact O-N 2.81Å; Q119-E123 VanDerWaalsContact O-N 3.1Å; A120-E123 PolarHBondContact O-N 3.49Å; E123-I126 PolarHBondContact O-N 3.37Å; E123-Q127 VanDerWaalsContact O-CB 3.27Å; E123-Q127 WeakPolarHBondContact O-CB 3.25Å; E123-Q127 PolarHBondContact O-N 3.11Å
124D97.7Very high93.4Very high115 Ų11564.6 Ų64.662%0.61537%0.367SS*.Hα-helixtrans-61.5-44.9172.7-71.8-21.9000111.9A120 A121 I126 Q127 A128A120-D124 PolarHBondContact O-N 3.27Å; A121-D124 PolarHBondContact O-N 3.37Å; D124-I126 VanDerWaalsContact C-N 3.34Å; D124-I126 PolarHBondContact O-N 3.28Å; D124-Q127 PolarHBondContact O-N 3.05Å; D124-A128 VanDerWaalsContact O-CB 3.29Å; D124-A128 WeakPolarHBondContact O-CB 3.41Å; D124-A128 PolarHBondContact O-N 2.72Å
125I97.4Very high91.6Very high19 Ų1962.2 Ų62.210%0.09736%0.356CS..Hα-helixtrans-57.6-46.6175.3-77.8164.4000111L113 Y117 A121 V122 A129 L184L113-I125 HydrophobicContact CD1-CG2 3.82Å; Y117-I125 HydrophobicContact CD1-CD1 4.28Å; Y117-I125 HydrophobicContact CD2-CD1 4.2Å; Y117-I125 HydrophobicContact CE1-CD1 4.46Å; Y117-I125 HydrophobicContact CE2-CD1 4.39Å; Y117-I125 HydrophobicContact CG-CD1 4.16Å; A121-I125 WeakPolarHBondContact O-CB 3.37Å; A121-I125 WeakPolarHBondContact O-CD1 3.28Å; A121-I125 VanDerWaalsContact O-CG1 3.26Å; A121-I125 WeakPolarHBondContact O-CG1 3.25Å; A121-I125 PolarHBondContact O-N 3.33Å; V122-I125 PolarHBondContact O-N 2.96Å; I125-A129 PolarHBondContact O-N 3.36Å; I125-L184 HydrophobicContact CD1-CD1 3.94Å; I125-L184 HydrophobicContact CG1-CD1 4.42Å
126I97Very high89.6Confident3 Ų354.7 Ų54.72%0.01532%0.323CS..Hα-helixtrans-67.7-43.5-178.9-69.3170.7000110.6L106 R110 V122 E123 D124 A128 A129 F130 F182L106-I126 HydrophobicContact CD1-CD1 4.38Å; L106-I126 HydrophobicContact CD1-CG2 4.23Å; R110-I126 HydrophobicContact CG-CD1 3.27Å; R110-I126 VanDerWaalsContact NE-CD1 3.34Å; V122-I126 HydrophobicContact CG1-CD1 3.91Å; V122-I126 VanDerWaalsContact O-CG1 3.29Å; V122-I126 WeakPolarHBondContact O-CG1 3.5Å; V122-I126 PolarHBondContact O-N 2.71Å; E123-I126 PolarHBondContact O-N 3.37Å; D124-I126 VanDerWaalsContact C-N 3.34Å; D124-I126 PolarHBondContact O-N 3.28Å; I126-A128 VanDerWaalsContact C-N 3.35Å; I126-A128 PolarHBondContact O-N 3.42Å; I126-A129 WeakPolarHBondContact O-CB 2.91Å; I126-A129 PolarHBondContact O-N 3.18Å; I126-F130 HydrophobicContact CG2-CD1 4.45Å; I126-F130 HydrophobicContact CG2-CD2 4.33Å; I126-F130 HydrophobicContact CG2-CE1 4.33Å; I126-F130 HydrophobicContact CG2-CE2 4.17Å; I126-F130 HydrophobicContact CG2-CG 4.49Å; I126-F130 HydrophobicContact CG2-CZ 4.19Å; I126-F130 WeakPolarHBondContact O-CB 3.38Å; I126-F130 PolarHBondContact O-N 3.25Å; I126-F182 HydrophobicContact CG1-CE1 4.02Å
127Q95.5Very high87.7Confident125 Ų12556 Ų5658%0.58431%0.313SS*.Hα-helixtrans-64.6-41.1179-172.762.57.900111.3E123 D124 A129 F130 A131E123-Q127 VanDerWaalsContact O-CB 3.27Å; E123-Q127 WeakPolarHBondContact O-CB 3.25Å; E123-Q127 PolarHBondContact O-N 3.11Å; D124-Q127 PolarHBondContact O-N 3.05Å; Q127-A129 VanDerWaalsContact C-N 3.33Å; Q127-A129 PolarHBondContact O-N 3.22Å; Q127-F130 PolarHBondContact O-N 3.22Å; Q127-A131 WeakPolarHBondContact O-CB 3.26Å; Q127-A131 PolarHBondContact O-N 3.38Å
128A93.7Very high85.2Confident38 Ų3853.8 Ų53.831%0.31431%0.312SS..Hα-helixtrans-61-41.117300000111.8D124 I126 A131 T132D124-A128 VanDerWaalsContact O-CB 3.29Å; D124-A128 WeakPolarHBondContact O-CB 3.41Å; D124-A128 PolarHBondContact O-N 2.72Å; I126-A128 VanDerWaalsContact C-N 3.35Å; I126-A128 PolarHBondContact O-N 3.42Å; A128-A131 PolarHBondContact O-N 2.86Å; A128-T132 WeakPolarHBondContact O-CG2 3.43Å; A128-T132 PolarHBondContact O-N 3.23Å; A128-T132 VanDerWaalsContact O-N 3.15Å; A128-T132 PolarHBondContact O-OG1 3.03Å
129A93.4Very high83Confident2 Ų250.8 Ų50.82%0.01729%0.292CS..Hα-helixtrans-62.2-44174.100000111.8I125 I126 Q127 T132 C133 F174 N181 F182I125-A129 PolarHBondContact O-N 3.36Å; I126-A129 WeakPolarHBondContact O-CB 2.91Å; I126-A129 PolarHBondContact O-N 3.18Å; Q127-A129 VanDerWaalsContact C-N 3.33Å; Q127-A129 PolarHBondContact O-N 3.22Å; A129-T132 PolarHBondContact O-N 2.86Å; A129-T132 PolarHBondContact O-OG1 3.16Å; A129-C133 WeakPolarHBondContact O-CB 3.17Å; A129-C133 PolarHBondContact O-N 3.08Å; A129-F174 HydrophobicContact CB-CD1 4.31Å; A129-N181 HydrophobicContact CB-CB 3.97Å; A129-N181 PolarHBondContact N-ND2 3.25Å; A129-F182 HydrophobicContact CB-CD1 4.37Å; A129-F182 HydrophobicContact CB-CD2 3.62Å; A129-F182 HydrophobicContact CB-CE1 4.17Å; A129-F182 HydrophobicContact CB-CE2 3.38Å; A129-F182 HydrophobicContact CB-CG 4.13Å; A129-F182 HydrophobicContact CB-CZ 3.67Å
130F92.4Very high80.5Confident34 Ų3449.7 Ų49.715%0.14929%0.294CS..Hα-helixtrans-72.5-26.9-179.1-78.811.2000113.7K100 A101 L106 I126 Q127 C133 F174 F182K100-F130 HydrophobicContact CB-CD1 4.37Å; K100-F130 HydrophobicContact CB-CE1 4.14Å; K100-F130 HydrophobicContact CB-CE2 4.48Å; K100-F130 HydrophobicContact CB-CZ 4.19Å; K100-F130 HydrophobicContact CD-CB 4.22Å; K100-F130 HydrophobicContact CD-CD2 4.3Å; K100-F130 HydrophobicContact CD-CG 4.12Å; K100-F130 PolarHBondContact NZ-O 3.38Å; A101-F130 HydrophobicContact CB-CE1 4.38Å; L106-F130 HydrophobicContact CD1-CE1 4.39Å; L106-F130 HydrophobicContact CD1-CZ 4.21Å; L106-F130 HydrophobicContact CD2-CE2 4.46Å; L106-F130 HydrophobicContact CD2-CZ 3.78Å; I126-F130 HydrophobicContact CG2-CD1 4.45Å; I126-F130 HydrophobicContact CG2-CD2 4.33Å; I126-F130 HydrophobicContact CG2-CE1 4.33Å; I126-F130 HydrophobicContact CG2-CE2 4.17Å; I126-F130 HydrophobicContact CG2-CG 4.49Å; I126-F130 HydrophobicContact CG2-CZ 4.19Å; I126-F130 WeakPolarHBondContact O-CB 3.38Å; I126-F130 PolarHBondContact O-N 3.25Å; Q127-F130 PolarHBondContact O-N 3.22Å; F130-C133 PolarHBondContact O-SG 3.39Å; F130-F174 AromaticContact CD1-CE1 3.69Å; F130-F174 HydrophobicContact CD1-CE1 3.69Å; F130-F174 HydrophobicContact CD1-CZ 4.05Å; F130-F174 HydrophobicContact CE1-CE1 4.02Å; F130-F174 AromaticContact CE1-CZ 3.97Å; F130-F174 HydrophobicContact CE1-CZ 3.97Å; F130-F182 HydrophobicContact CD1-CE2 4.31Å; F130-F182 HydrophobicContact CD1-CZ 4.22Å; F130-F182 HydrophobicContact CE1-CE2 4.12Å; F130-F182 AromaticContact CE1-CZ 3.85Å; F130-F182 HydrophobicContact CE1-CZ 3.85Å
131A87.2Confident78Confident79 Ų7950.4 Ų50.465%0.65329%0.293SS*.Hα-helixtrans-76-29.8174.100000112.1Q127 A128Q127-A131 WeakPolarHBondContact O-CB 3.26Å; Q127-A131 PolarHBondContact O-N 3.38Å; A128-A131 PolarHBondContact O-N 2.86Å
132T79.2Confident75.4Confident83 Ų8353.9 Ų53.951%0.50932%0.321SS..Hα-helixtrans-99.6-6.1-178.655.80000113.9A128 A129A128-T132 WeakPolarHBondContact O-CG2 3.43Å; A128-T132 PolarHBondContact O-N 3.23Å; A128-T132 VanDerWaalsContact O-N 3.15Å; A128-T132 PolarHBondContact O-OG1 3.03Å; A129-T132 PolarHBondContact O-N 2.86Å; A129-T132 PolarHBondContact O-OG1 3.16Å
133C81Confident72.4Confident20 Ų2065.6 Ų65.614%0.13537%0.366CS..PPolyproline II helixtrans-65.3141.9177.878.30000111.2A129 F130 F174A129-C133 WeakPolarHBondContact O-CB 3.17Å; A129-C133 PolarHBondContact O-N 3.08Å; F130-C133 PolarHBondContact O-SG 3.39Å; C133-F174 HydrophobicContact CB-CD1 3.47Å; C133-F174 VanDerWaalsContact CB-CD1 3.47Å; C133-F174 HydrophobicContact CB-CE1 3.23Å; C133-F174 HydrophobicContact CB-CG 4.25Å; C133-F174 HydrophobicContact CB-CZ 3.87Å
134L71.4Confident69.3Low71 Ų7167 Ų6737%0.37237%0.372SS..EExtended strand (participates in β ladder)trans-102.6126.3173.1-58.5176.8000107.6V136 Y172 E173 I175L134-V136 PolarHBondContact O-N 3.41Å; L134-Y172 CarbonylContact O-C 3.44Å; L134-E173 PolarHBondContact N-O 3.2Å; L134-E173 PolarHBondContact O-N 3.17Å; L134-I175 HydrophobicContact CD1-CD1 3.84Å
135T58.6Low66.1Low24 Ų2469.9 Ų69.915%0.14739%0.387CS..EExtended strand (participates in β ladder)trans-66124157.432.10000108.5R137 H151 Y172T135-R137 PolarHBondContact O-N 3.09Å; T135-H151 WeakPolarHBondContact CB-ND1 3.35Å; T135-H151 HydrophobicContact CG2-CB 4.1Å; T135-H151 PolarHBondContact OG1-CD2 3.17Å; T135-H151 PolarHBondContact OG1-CE1 3.09Å; T135-H151 PolarHBondContact OG1-ND1 2.96Å; T135-H151 PolarHBondContact OG1-NE2 2.86Å; T135-Y172 HydrophobicContact CG2-CD1 3.7Å; T135-Y172 HydrophobicContact CG2-CE1 3.37Å
136V54.8Low62.8Low1 Ų176.3 Ų76.31%0.00642%0.421CS..PPolyproline II helixtrans-74.7136.4-165.4-161.60000110.5L134 Y152 I171 E173 I256L134-V136 PolarHBondContact O-N 3.41Å; V136-Y152 PolarHBondContact O-N 2.86Å; V136-I171 HydrophobicContact CB-CB 4.47Å; V136-I171 HydrophobicContact CB-CG2 4.24Å; V136-I171 HydrophobicContact CG2-CB 4.3Å; V136-I171 HydrophobicContact CG2-CG2 3.74Å; V136-I171 PolarHBondContact N-O 2.91Å; V136-E173 HydrophobicContact CG2-CB 3.41Å; V136-E173 VanDerWaalsContact CG2-CB 3.41Å; V136-I256 HydrophobicContact CB-CD1 3.34Å; V136-I256 HydrophobicContact CG1-CD1 3.1Å; V136-I256 HydrophobicContact CG2-CD1 3.93Å
137R55Low59.5Low123 Ų12381.6 Ų81.646%0.46445%0.449SS..BIsolated β-bridgetrans-82122.9-169.5-57.5175.1-176.6-150.4-3.6110.5T135 G150T135-R137 PolarHBondContact O-N 3.09Å; R137-G150 WeakPolarHBondContact CA-O 3.47Å
138S46.2Very low56.2Low48 Ų4886.8 Ų86.834%0.33646%0.463SS..PPolyproline II helixtrans-74.2142.1165.256.10000110.5G150S138-G150 PolarHBondContact N-O 2.87Å; S138-G150 VanDerWaalsContact N-O 3.13Å
139A51.4Low53.4Low15 Ų1592.6 Ų92.612%0.12448%0.482CS..PPolyproline II helixtrans-59.9127.8174.300000109.9R224 T257A139-R224 PolarHBondContact O-NH2 3.13Å; A139-T257 HydrophobicContact CB-CG2 4.46Å
140P46.2Very low50.9Low85 Ų8594.1 Ų94.155%0.55250%0.498SS*.PPolyproline II helixtrans-63.3154.5179.822.8-30.9000111.8
141P45Very low49.3Very low80 Ų8098.1 Ų98.152%0.51952%0.517SS..PPolyproline II helixtrans-59142.8168.1-16.829.4000110.4R143 E144P141-R143 PolarHBondContact O-N 2.91Å; P141-E144 PolarHBondContact O-N 2.78Å
142A44.4Very low48.4Very low101 Ų10195.4 Ų95.484%0.83549%0.489SS*.THydrogen-bonded Turntrans-658.7-17100000116.1
143R35.3Very low48.4Very low246 Ų24696.6 Ų96.693%0.92849%0.487SS*.THydrogen-bonded Turntrans-125.83.5179.6-70.4-172.3168.9166.4-3115.4P141P141-R143 PolarHBondContact O-N 2.91Å
144E33.4Very low48.6Very low96 Ų9696.2 Ų96.245%0.44949%0.487SS..  trans-123.684.6172.1-96.6172.2158.400109.9P141 N146 L147P141-E144 PolarHBondContact O-N 2.78Å; E144-N146 PolarHBondContact O-N 2.94Å; E144-L147 HydrophobicContact CB-CB 4.36Å; E144-L147 HydrophobicContact CG-CD1 4.15Å; E144-L147 WeakPolarHBondContact OE1-CD1 3.37Å
145L30.3Very low49.2Very low175 Ų17594.1 Ų94.192%0.91648%0.475SS*.THydrogen-bonded Turntrans-68.6-7.4174.1-158.966.9000112.3
146N26.8Very low50Low153 Ų15393.2 Ų93.282%0.81847%0.469SS*.THydrogen-bonded Turntrans-125.18.9-173.3-77.9-26.4000116.8E144 R148E144-N146 PolarHBondContact O-N 2.94Å; N146-R148 PolarHBondContact O-N 2.89Å
147L27.3Very low50.9Low115 Ų11594 Ų9460%0.60247%0.474SS*.SBendtrans-90.6104.1171.3-10574.9000111.8E144 F149E144-L147 HydrophobicContact CB-CB 4.36Å; E144-L147 HydrophobicContact CG-CD1 4.15Å; E144-L147 WeakPolarHBondContact OE1-CD1 3.37Å; L147-F149 PolarHBondContact O-N 2.74Å
148R27.9Very low52.1Low234 Ų23489.6 Ų89.688%0.88346%0.459SS*.  trans-4110.3164.3-59.4-177.2-166.3-125.22.7115N146 G150N146-R148 PolarHBondContact O-N 2.89Å; R148-G150 PolarHBondContact O-N 2.77Å
149F33.1Very low53.7Low160 Ų16094.5 Ų94.570%0.70248%0.477SS*.  trans-12.981.6164-49.8-77.8000116L147 H151L147-F149 PolarHBondContact O-N 2.74Å; F149-H151 PolarHBondContact O-N 2.83Å
150G41.1Very low55.4Low34 Ų3496.9 Ų96.935%0.35148%0.483SS..  trans-76.9120-17200000113.9R137 S138 R148R137-G150 WeakPolarHBondContact CA-O 3.47Å; S138-G150 PolarHBondContact N-O 2.87Å; S138-G150 VanDerWaalsContact N-O 3.13Å; R148-G150 PolarHBondContact O-N 2.77Å
151H59.6Low57.5Low118 Ų11893.5 Ų93.555%0.54646%0.46SS..BIsolated β-bridgetrans-58130.3167-60.9-174000109.4T135 F149 K153T135-H151 WeakPolarHBondContact CB-ND1 3.35Å; T135-H151 HydrophobicContact CG2-CB 4.1Å; T135-H151 PolarHBondContact OG1-CD2 3.17Å; T135-H151 PolarHBondContact OG1-CE1 3.09Å; T135-H151 PolarHBondContact OG1-ND1 2.96Å; T135-H151 PolarHBondContact OG1-NE2 2.86Å; F149-H151 PolarHBondContact O-N 2.83Å; H151-K153 PolarHBondContact O-N 2.83Å
152Y68Low59.9Low21 Ų2190 Ų908%0.08244%0.437CS..  trans-72.5108.3176.7-172.1-84.8000109.8V136 F155 M156 T170 I171 I256 A260V136-Y152 PolarHBondContact O-N 2.86Å; Y152-F155 PolarHBondContact OH-O 3.02Å; Y152-M156 HydrophobicContact CE1-CG 4.35Å; Y152-M156 HydrophobicContact CE1-SD 3.54Å; Y152-M156 VanDerWaalsContact CE1-SD 3.54Å; Y152-M156 PolarHBondContact OH-SD 3.01Å; Y152-T170 WeakPolarHBondContact O-CA 3.42Å; Y152-I171 HydrophobicContact CD1-CD1 3.54Å; Y152-I171 HydrophobicContact CD1-CG1 3.7Å; Y152-I171 HydrophobicContact CE1-CD1 4.02Å; Y152-I171 HydrophobicContact CE1-CG1 4.38Å; Y152-I171 HydrophobicContact CG-CD1 4.12Å; Y152-I171 HydrophobicContact CG-CG1 4.47Å; Y152-I171 PolarHBondContact O-N 3.4Å; Y152-I171 VanDerWaalsContact O-N 3.16Å; Y152-I256 HydrophobicContact CD2-CG2 3.99Å; Y152-I256 HydrophobicContact CG-CG2 3.93Å; Y152-A260 HydrophobicContact CD2-CB 4.41Å; Y152-A260 HydrophobicContact CE2-CB 3.44Å; Y152-A260 VanDerWaalsContact CE2-CB 3.44Å
153K80.1Confident62.3Low108 Ų10885.5 Ų85.547%0.4740%0.399SS..EExtended strand (participates in β ladder)trans-137.8111.2168176.3172.3-173.3-173.40105.9T23 H151 S169 T170T23-K153 HydrophobicContact CG2-CD 4.1Å; T23-K153 HydrophobicContact CG2-CG 3.63Å; H151-K153 PolarHBondContact O-N 2.83Å; K153-S169 WeakPolarHBondContact CA-O 3.13Å; K153-T170 HydrophobicContact CB-CG2 4.33Å
154G83.8Confident65.3Low12 Ų1274 Ų7412%0.12436%0.356CS..EExtended strand (participates in β ladder)trans-177170.5-167.900000115.7T23 M156 E168 S169T23-G154 VanDerWaalsContact OG1-CA 3.27Å; T23-G154 WeakPolarHBondContact OG1-CA 3.21Å; G154-M156 PolarHBondContact O-N 2.83Å; G154-E168 CarbonylContact O-C 3.56Å; G154-E168 VanDerWaalsContact O-CA 3.24Å; G154-E168 WeakPolarHBondContact O-CA 3.21Å; G154-S169 PolarHBondContact N-O 2.83Å; G154-S169 PolarHBondContact O-N 3.44Å
155F84.1Confident68.3Low27 Ų2769.4 Ų69.412%0.11834%0.335CS..EExtended strand (participates in β ladder)trans-55.5128.6168.9-175.9-82.2000111.8V24 N37 K39 Y152 V157 N161 W166V24-F155 HydrophobicContact CG2-CB 3.53Å; V24-F155 HydrophobicContact CG2-CD2 4.31Å; V24-F155 HydrophobicContact CG2-CG 4.33Å; N37-F155 WeakPolarHBondContact OD1-CE2 3.49Å; K39-F155 HydrophobicContact CB-CD2 4.45Å; K39-F155 HydrophobicContact CB-CE1 4.23Å; K39-F155 HydrophobicContact CB-CE2 3.97Å; K39-F155 HydrophobicContact CB-CZ 3.85Å; K39-F155 HydrophobicContact CG-CB 4.47Å; K39-F155 HydrophobicContact CG-CD1 3.75Å; K39-F155 HydrophobicContact CG-CD2 3.6Å; K39-F155 HydrophobicContact CG-CE1 3.76Å; K39-F155 HydrophobicContact CG-CE2 3.6Å; K39-F155 HydrophobicContact CG-CG 3.67Å; K39-F155 HydrophobicContact CG-CZ 3.69Å; Y152-F155 PolarHBondContact OH-O 3.02Å; F155-V157 HydrophobicContact CE1-CG1 4.47Å; F155-N161 WeakPolarHBondContact CZ-ND2 3.34Å; F155-W166 HydrophobicContact CD2-CB 4.41Å; F155-W166 AromaticContact CD2-CD1 3.53Å; F155-W166 HydrophobicContact CD2-CG 4.11Å; F155-W166 HydrophobicContact CE2-CB 3.68Å; F155-W166 AromaticContact CE2-CD1 3.64Å; F155-W166 AromaticContact CE2-CG 3.73Å; F155-W166 HydrophobicContact CE2-CG 3.73Å; F155-W166 HydrophobicContact CZ-CB 4.38Å
156M77Confident71.4Confident6 Ų661 Ų613%0.0329%0.291CS..  trans-104137.9176.2-71.9-72.9-80.200110.3I60 Y152 G154 D158 N161 V167 S169 I259I60-M156 HydrophobicContact CD1-CE 3.71Å; Y152-M156 HydrophobicContact CE1-CG 4.35Å; Y152-M156 HydrophobicContact CE1-SD 3.54Å; Y152-M156 VanDerWaalsContact CE1-SD 3.54Å; Y152-M156 PolarHBondContact OH-SD 3.01Å; G154-M156 PolarHBondContact O-N 2.83Å; M156-D158 PolarHBondContact O-N 2.97Å; M156-N161 PolarHBondContact O-ND2 2.78Å; M156-V167 HydrophobicContact CB-CB 4.38Å; M156-V167 HydrophobicContact CB-CG1 4.1Å; M156-V167 PolarHBondContact N-O 3.3Å; M156-S169 WeakPolarHBondContact CG-OG 3.47Å; M156-I259 HydrophobicContact CE-CB 4.32Å; M156-I259 HydrophobicContact CE-CG2 3.2Å; M156-I259 HydrophobicContact SD-CG2 4.17Å
157V73.1Confident74.5Confident16 Ų1653.8 Ų53.810%0.09725%0.252CS..  trans-84.2114.8172.4-139.70000109.1F155 S263F155-V157 HydrophobicContact CE1-CG1 4.47Å; V157-S263 VanDerWaalsContact CB-CB 3.46Å; V157-S263 VanDerWaalsContact CG1-CB 3.42Å; V157-S263 VanDerWaalsContact CG1-O 3.27Å; V157-S263 WeakPolarHBondContact CG1-O 3.5Å
158D79.6Confident77.5Confident31 Ų3148.4 Ų48.417%0.16622%0.224CC..  trans-144135.9-163.6-166.9-62.7000108M156 R160 N161 V167M156-D158 PolarHBondContact O-N 2.97Å; D158-R160 PolarHBondContact O-N 2.64Å; D158-R160 WeakPolarHBondContact OD1-CB 3.46Å; D158-R160 WeakPolarHBondContact OD1-CG 3.37Å; D158-R160 IonicContact OD1-CZ 2.86Å; D158-R160 PolarHBondContact OD1-N 3.42Å; D158-R160 IonicContact OD1-NE 2.85Å; D158-R160 PolarHBondContact OD1-NE 3.28Å; D158-R160 IonicContact OD1-NH2 2.71Å; D158-R160 IonicContact OD2-CZ 3.68Å; D158-R160 IonicContact OD2-NE 3.63Å; D158-R160 PolarHBondContact OD2-NE 2.86Å; D158-R160 IonicContact OD2-NH2 3.45Å; D158-R160 PolarHBondContact OD2-NH2 3.19Å; D158-N161 PolarHBondContact N-ND2 3.39Å; D158-N161 VanDerWaalsContact O-CB 3.23Å; D158-N161 WeakPolarHBondContact O-CB 3.36Å; D158-N161 VanDerWaalsContact O-CG 3.26Å; D158-N161 PolarHBondContact O-N 3.24Å; D158-N161 PolarHBondContact O-ND2 3.37Å; D158-V167 HydrophobicContact CB-CB 4.07Å; D158-V167 HydrophobicContact CB-CG2 4.07Å
159E81.2Confident80.3Confident152 Ų15237.3 Ų37.371%0.7118%0.182SC*.THydrogen-bonded Turntrans-64.2-18.8-179.764.7-165.9-168.400113N161E159-N161 VanDerWaalsContact C-N 3.26Å
160R86.4Confident82.8Confident64 Ų6430.1 Ų30.124%0.24215%0.152CC..THydrogen-bonded Turntrans-79.5-9.8176.2-54.2173.1-71.3172.6-1.6112.5C49 L50 D158C49-R160 VanDerWaalsContact SG-CG 3.56Å; L50-R160 HydrophobicContact CD1-CB 4.37Å; L50-R160 WeakPolarHBondContact CD1-O 3.38Å; L50-R160 HydrophobicContact CD2-CB 3.91Å; L50-R160 HydrophobicContact CG-CB 4Å; D158-R160 PolarHBondContact O-N 2.64Å; D158-R160 WeakPolarHBondContact OD1-CB 3.46Å; D158-R160 WeakPolarHBondContact OD1-CG 3.37Å; D158-R160 IonicContact OD1-CZ 2.86Å; D158-R160 PolarHBondContact OD1-N 3.42Å; D158-R160 IonicContact OD1-NE 2.85Å; D158-R160 PolarHBondContact OD1-NE 3.28Å; D158-R160 IonicContact OD1-NH2 2.71Å; D158-R160 IonicContact OD2-CZ 3.68Å; D158-R160 IonicContact OD2-NE 3.63Å; D158-R160 PolarHBondContact OD2-NE 2.86Å; D158-R160 IonicContact OD2-NH2 3.45Å; D158-R160 PolarHBondContact OD2-NH2 3.19Å
161N90.3Very high84.7Confident15 Ų1528.5 Ų28.58%0.0814%0.135CC..  trans-65.5140.4179.4-69.7-18.8000110.9T42 F155 M156 D158 E159 W166 V167T42-N161 HydrophobicContact CG2-CB 4.41Å; F155-N161 WeakPolarHBondContact CZ-ND2 3.34Å; M156-N161 PolarHBondContact O-ND2 2.78Å; D158-N161 PolarHBondContact N-ND2 3.39Å; D158-N161 VanDerWaalsContact O-CB 3.23Å; D158-N161 WeakPolarHBondContact O-CB 3.36Å; D158-N161 VanDerWaalsContact O-CG 3.26Å; D158-N161 PolarHBondContact O-N 3.24Å; D158-N161 PolarHBondContact O-ND2 3.37Å; E159-N161 VanDerWaalsContact C-N 3.26Å; N161-W166 HydrophobicContact CB-CB 4.43Å; N161-W166 WeakPolarHBondContact OD1-CA 3.49Å; N161-W166 WeakPolarHBondContact OD1-CB 3.49Å; N161-V167 PolarHBondContact OD1-N 2.99Å
162T94.5Very high85.9Confident5 Ų524.1 Ų24.13%0.03111%0.114CC..  trans-132.2179.8177.660.10000109.4N37 T42 I44 G46 N164 A165N37-T162 WeakPolarHBondContact CB-O 3.24Å; N37-T162 PolarHBondContact ND2-O 2.92Å; T42-T162 WeakPolarHBondContact CG2-O 3.34Å; T42-T162 WeakPolarHBondContact OG1-CA 3.43Å; I44-T162 HydrophobicContact CB-CG2 4.45Å; I44-T162 HydrophobicContact CG2-CG2 4.1Å; I44-T162 WeakPolarHBondContact O-CB 3.25Å; G46-T162 WeakPolarHBondContact O-CB 3.37Å; G46-T162 PolarHBondContact O-OG1 2.94Å; T162-N164 PolarHBondContact O-N 3.29Å; T162-N164 PolarHBondContact OG1-N 3.28Å; T162-A165 PolarHBondContact N-O 2.91Å; T162-A165 WeakPolarHBondContact OG1-CA 3.36Å; T162-A165 PolarHBondContact OG1-N 3.02Å; T162-A165 PolarHBondContact OG1-O 3.33Å
163D95.9Very high86.6Confident7 Ų723.1 Ų23.14%0.03711%0.11CC..SBendtrans-64.2-24.3172-72.210.7000111.3L36 N37 R41 T42 G43 I44 R45L36-D163 CarbonylContact C-O 3.58Å; L36-D163 WeakPolarHBondContact CA-O 3.42Å; N37-D163 PolarHBondContact N-O 3.41Å; R41-D163 WeakPolarHBondContact CA-OD1 3.45Å; R41-D163 IonicContact NE-OD2 3.28Å; R41-D163 PolarHBondContact NE-OD2 2.92Å; R41-D163 IonicContact NH2-OD2 3.95Å; T42-D163 WeakPolarHBondContact CA-OD1 3.4Å; T42-D163 PolarHBondContact N-OD1 2.92Å; T42-D163 PolarHBondContact OG1-N 2.6Å; T42-D163 PolarHBondContact OG1-OD1 3.35Å; G43-D163 PolarHBondContact N-OD1 3.2Å; I44-D163 WeakPolarHBondContact O-CB 3.02Å; I44-D163 PolarHBondContact O-N 3.43Å; R45-D163 HydrophobicContact CG-CB 4.29Å
164N97.1Very high86.9Confident4 Ų418.3 Ų18.32%0.0219%0.089CC..SBendtrans-123.20.6-172.8-50114.7000115.8Y34 P35 G46 Y53 G54 T162Y34-N164 WeakPolarHBondContact CB-ND2 3.4Å; P35-N164 WeakPolarHBondContact CG-O 3.5Å; P35-N164 VanDerWaalsContact O-CA 3.22Å; P35-N164 WeakPolarHBondContact O-CA 3.33Å; P35-N164 WeakPolarHBondContact O-CB 3.27Å; P35-N164 PolarHBondContact O-ND2 2.82Å; G46-N164 PolarHBondContact N-OD1 2.81Å; Y53-N164 HydrophobicContact CD1-CB 3.97Å; Y53-N164 HydrophobicContact CE1-CB 4.24Å; G54-N164 PolarHBondContact N-O 2.96Å; T162-N164 PolarHBondContact O-N 3.29Å; T162-N164 PolarHBondContact OG1-N 3.28Å
165A97.2Very high86.9Confident0 Ų019.5 Ų19.50%09%0.092CC..EExtended strand (participates in β ladder)trans-153.5133.6175.500000109.9R47 L50 R52 G54 T162R47-A165 HydrophobicContact CG-CB 4.27Å; L50-A165 HydrophobicContact CB-CB 4.24Å; L50-A165 HydrophobicContact CD1-CB 3.76Å; R52-A165 VanDerWaalsContact O-CB 3.27Å; R52-A165 WeakPolarHBondContact O-CB 3.47Å; G54-A165 VanDerWaalsContact O-CA 3.3Å; G54-A165 WeakPolarHBondContact O-CA 3.27Å; T162-A165 PolarHBondContact N-O 2.91Å; T162-A165 WeakPolarHBondContact OG1-CA 3.36Å; T162-A165 PolarHBondContact OG1-N 3.02Å; T162-A165 PolarHBondContact OG1-O 3.33Å
166W95Very high87.2Confident0 Ų018.7 Ų18.70%09%0.089CC..EExtended strand (participates in β ladder)trans-143.8163.9-179.161.892.8000111.8Y27 P35 N37 P38 G54 P55 N56 F155 N161 E168Y27-W166 AromaticContact CD1-CH2 3.73Å; Y27-W166 HydrophobicContact CD1-CH2 3.73Å; Y27-W166 AromaticContact CD1-CZ2 3.69Å; Y27-W166 HydrophobicContact CD1-CZ2 3.69Å; Y27-W166 AromaticContact CD2-CH2 3.98Å; Y27-W166 HydrophobicContact CD2-CH2 3.98Å; Y27-W166 HydrophobicContact CE1-CH2 4.11Å; Y27-W166 HydrophobicContact CE1-CZ2 4.08Å; Y27-W166 HydrophobicContact CE2-CH2 4.38Å; Y27-W166 AromaticContact CG-CH2 3.63Å; Y27-W166 HydrophobicContact CG-CH2 3.63Å; Y27-W166 HydrophobicContact CG-CZ2 4.03Å; P35-W166 HydrophobicContact CB-CH2 4.34Å; P35-W166 HydrophobicContact CB-CZ3 4.33Å; N37-W166 VanDerWaalsContact CA-CZ3 3.5Å; N37-W166 HydrophobicContact CB-CE3 3.88Å; N37-W166 HydrophobicContact CB-CZ3 4.3Å; P38-W166 HydrophobicContact CG-CD2 4.48Å; P38-W166 HydrophobicContact CG-CZ2 3.89Å; G54-W166 PolarHBondContact O-N 3.39Å; P55-W166 CarbonylContact C-O 3.56Å; P55-W166 HydrophobicContact CB-CZ2 4.15Å; P55-W166 HydrophobicContact CG-CZ2 4.32Å; N56-W166 WeakPolarHBondContact CB-O 3.44Å; N56-W166 PolarHBondContact N-O 3.18Å; N56-W166 PolarHBondContact ND2-O 3.41Å; F155-W166 HydrophobicContact CD2-CB 4.41Å; F155-W166 AromaticContact CD2-CD1 3.53Å; F155-W166 HydrophobicContact CD2-CG 4.11Å; F155-W166 HydrophobicContact CE2-CB 3.68Å; F155-W166 AromaticContact CE2-CD1 3.64Å; F155-W166 AromaticContact CE2-CG 3.73Å; F155-W166 HydrophobicContact CE2-CG 3.73Å; F155-W166 HydrophobicContact CZ-CB 4.38Å; N161-W166 HydrophobicContact CB-CB 4.43Å; N161-W166 WeakPolarHBondContact OD1-CA 3.49Å; N161-W166 WeakPolarHBondContact OD1-CB 3.49Å; W166-E168 PolarHBondContact NE1-OE1 2.93Å
167V91.6Very high87.6Confident0 Ų023.3 Ų23.30%011%0.106CC..EExtended strand (participates in β ladder)trans-98.1135.5-179.6179.80000110.6L50 N56 Q58 M156 D158 N161L50-V167 HydrophobicContact CD1-CG2 4.23Å; L50-V167 HydrophobicContact CD2-CG2 3.71Å; N56-V167 WeakPolarHBondContact O-CA 3.34Å; Q58-V167 HydrophobicContact CB-CG1 4.01Å; Q58-V167 VanDerWaalsContact OE1-CG1 3.26Å; M156-V167 HydrophobicContact CB-CB 4.38Å; M156-V167 HydrophobicContact CB-CG1 4.1Å; M156-V167 PolarHBondContact N-O 3.3Å; D158-V167 HydrophobicContact CB-CB 4.07Å; D158-V167 HydrophobicContact CB-CG2 4.07Å; N161-V167 PolarHBondContact OD1-N 2.99Å
168E90.9Very high88.4Confident2 Ų230.3 Ų30.31%0.00914%0.135CC..EExtended strand (participates in β ladder)trans-126.9128.2168.6-55.5-162.517200109.7S22 T23 P55 N56 H57 Q58 G154 W166S22-E168 WeakPolarHBondContact CB-OE1 3.5Å; S22-E168 PolarHBondContact OG-OE1 2.96Å; T23-E168 VanDerWaalsContact CB-OE2 3.28Å; T23-E168 WeakPolarHBondContact CB-OE2 3.43Å; T23-E168 VanDerWaalsContact CG2-OE2 3.26Å; T23-E168 WeakPolarHBondContact CG2-OE2 3.07Å; T23-E168 PolarHBondContact N-OE2 3.31Å; T23-E168 VanDerWaalsContact OG1-CD 3.29Å; T23-E168 PolarHBondContact OG1-OE2 2.83Å; P55-E168 HydrophobicContact CB-CG 4.32Å; N56-E168 PolarHBondContact O-N 3.32Å; N56-E168 VanDerWaalsContact O-N 3.07Å; H57-E168 CarbonylContact C-O 3.59Å; H57-E168 VanDerWaalsContact CA-O 3.3Å; H57-E168 WeakPolarHBondContact CA-O 3.44Å; H57-E168 IonicContact CE1-OE2 2.86Å; Q58-E168 PolarHBondContact N-O 2.88Å; G154-E168 CarbonylContact O-C 3.56Å; G154-E168 VanDerWaalsContact O-CA 3.24Å; G154-E168 WeakPolarHBondContact O-CA 3.21Å; W166-E168 PolarHBondContact NE1-OE1 2.93Å
169S86.4Confident89Confident1 Ų131.2 Ų31.21%0.00714%0.142CC..EExtended strand (participates in β ladder)trans-108.4146.6-178.1-77.10000113.3Q58 I60 K153 G154 M156Q58-S169 WeakPolarHBondContact CB-OG 3.44Å; Q58-S169 CarbonylContact O-C 3.59Å; Q58-S169 VanDerWaalsContact O-CA 3.22Å; Q58-S169 WeakPolarHBondContact O-CA 3.11Å; Q58-S169 PolarHBondContact OE1-OG 3.41Å; I60-S169 VanDerWaalsContact CD1-OG 3.26Å; I60-S169 WeakPolarHBondContact CD1-OG 3.15Å; K153-S169 WeakPolarHBondContact CA-O 3.13Å; G154-S169 PolarHBondContact N-O 2.83Å; G154-S169 PolarHBondContact O-N 3.44Å; M156-S169 WeakPolarHBondContact CG-OG 3.47Å
170T85.8Confident89.6Confident10 Ų1027.4 Ų27.46%0.06113%0.129CC..EExtended strand (participates in β ladder)trans-112.4131.6158.1-51.90000108.8Q58 I60 Y152 K153 Y172Q58-T170 PolarHBondContact O-N 2.87Å; I60-T170 PolarHBondContact N-O 2.77Å; Y152-T170 WeakPolarHBondContact O-CA 3.42Å; K153-T170 HydrophobicContact CB-CG2 4.33Å; T170-Y172 HydrophobicContact CG2-CD2 4.25Å; T170-Y172 HydrophobicContact CG2-CE2 3.42Å; T170-Y172 VanDerWaalsContact CG2-CE2 3.42Å
171I81.8Confident90Very high0 Ų025.3 Ų25.30%012%0.123CC..EExtended strand (participates in β ladder)trans-115.1128.3-172.9-47.1179.8000110.8I60 I62 V136 Y152 I256I60-I171 HydrophobicContact CB-CB 4.42Å; I60-I171 HydrophobicContact CB-CG1 4.03Å; I60-I171 HydrophobicContact CB-CG2 4.15Å; I60-I171 HydrophobicContact CD1-CD1 4.3Å; I60-I171 HydrophobicContact CD1-CG1 4.21Å; I60-I171 HydrophobicContact CG2-CG2 4.05Å; I60-I171 WeakPolarHBondContact O-CA 3.26Å; I62-I171 HydrophobicContact CD1-CG2 4.06Å; V136-I171 HydrophobicContact CB-CB 4.47Å; V136-I171 HydrophobicContact CB-CG2 4.24Å; V136-I171 HydrophobicContact CG2-CB 4.3Å; V136-I171 HydrophobicContact CG2-CG2 3.74Å; V136-I171 PolarHBondContact N-O 2.91Å; Y152-I171 HydrophobicContact CD1-CD1 3.54Å; Y152-I171 HydrophobicContact CD1-CG1 3.7Å; Y152-I171 HydrophobicContact CE1-CD1 4.02Å; Y152-I171 HydrophobicContact CE1-CG1 4.38Å; Y152-I171 HydrophobicContact CG-CD1 4.12Å; Y152-I171 HydrophobicContact CG-CG1 4.47Å; Y152-I171 PolarHBondContact O-N 3.4Å; Y152-I171 VanDerWaalsContact O-N 3.16Å; I171-I256 HydrophobicContact CB-CD1 4.34Å; I171-I256 HydrophobicContact CD1-CB 4.26Å; I171-I256 HydrophobicContact CD1-CD1 4.05Å; I171-I256 HydrophobicContact CD1-CG1 3.68Å; I171-I256 HydrophobicContact CD1-CG2 3.73Å; I171-I256 HydrophobicContact CG2-CD1 3.75Å; I171-I256 HydrophobicContact CG2-CG1 4.27Å
172Y84.3Confident90.2Very high26 Ų2624.8 Ų24.810%0.10212%0.12CC..EExtended strand (participates in β ladder)trans-119.1138.2177.6-63.4-90.4000111.1I59 I60 A61 I62 K100 L134 T135 T170I59-Y172 HydrophobicContact CD1-CE2 4.36Å; I59-Y172 HydrophobicContact CG2-CD2 4.26Å; I60-Y172 PolarHBondContact O-N 3.07Å; A61-Y172 CarbonylContact C-O 3.49Å; A61-Y172 VanDerWaalsContact CA-O 3.32Å; A61-Y172 WeakPolarHBondContact CA-O 3.39Å; I62-Y172 PolarHBondContact N-O 2.92Å; K100-Y172 HydrophobicContact CB-CD1 4.06Å; K100-Y172 HydrophobicContact CB-CD2 4.43Å; K100-Y172 HydrophobicContact CB-CE1 4.01Å; K100-Y172 HydrophobicContact CB-CE2 4.39Å; K100-Y172 HydrophobicContact CB-CG 4.27Å; K100-Y172 HydrophobicContact CD-CE1 4.23Å; K100-Y172 HydrophobicContact CG-CD1 4.35Å; K100-Y172 HydrophobicContact CG-CE1 3.85Å; K100-Y172 VanDerWaalsContact O-CB 3.29Å; K100-Y172 WeakPolarHBondContact O-CB 3.33Å; K100-Y172 WeakPolarHBondContact O-CD2 3.33Å; L134-Y172 CarbonylContact O-C 3.44Å; T135-Y172 HydrophobicContact CG2-CD1 3.7Å; T135-Y172 HydrophobicContact CG2-CE1 3.37Å; T170-Y172 HydrophobicContact CG2-CD2 4.25Å; T170-Y172 HydrophobicContact CG2-CE2 3.42Å; T170-Y172 VanDerWaalsContact CG2-CE2 3.42Å
173E83.4Confident90.1Very high0 Ų024.6 Ų24.60%012%0.118CC..EExtended strand (participates in β ladder)trans-114.2121.8173.3177.9-179.5-154.200109I62 L134 V136 I175 S249I62-E173 CarbonylContact O-C 3.55Å; I62-E173 WeakPolarHBondContact O-CA 3.13Å; L134-E173 PolarHBondContact N-O 3.2Å; L134-E173 PolarHBondContact O-N 3.17Å; V136-E173 HydrophobicContact CG2-CB 3.41Å; V136-E173 VanDerWaalsContact CG2-CB 3.41Å; E173-I175 HydrophobicContact CG-CD1 4.12Å; E173-I175 HydrophobicContact CG-CG1 3.7Å; E173-S249 VanDerWaalsContact OE1-CA 3.25Å; E173-S249 WeakPolarHBondContact OE1-CA 3.44Å; E173-S249 PolarHBondContact OE1-N 2.87Å; E173-S249 WeakPolarHBondContact OE2-CB 3.2Å; E173-S249 PolarHBondContact OE2-OG 3.21Å
174F86.2Confident90.1Very high7 Ų726.7 Ų26.73%0.03113%0.129CC..EExtended strand (participates in β ladder)trans-104.2113.9174.6-64.3-87.4000108.4A61 I62 F63 T64 K100 A101 A129 F130 C133 F182A61-F174 HydrophobicContact CB-CD2 4.3Å; A61-F174 HydrophobicContact CB-CE2 4Å; I62-F174 PolarHBondContact O-N 3.08Å; F63-F174 HydrophobicContact CD1-CB 3.71Å; F63-F174 AromaticContact CD1-CD2 3.68Å; F63-F174 HydrophobicContact CD1-CD2 3.68Å; F63-F174 AromaticContact CD1-CG 3.84Å; F63-F174 HydrophobicContact CD1-CG 3.84Å; F63-F174 HydrophobicContact CE1-CB 4.22Å; F63-F174 AromaticContact CE1-CD2 3.36Å; F63-F174 HydrophobicContact CE1-CD2 3.36Å; F63-F174 AromaticContact CE1-CE2 3.83Å; F63-F174 HydrophobicContact CE1-CE2 3.83Å; F63-F174 AromaticContact CE1-CG 3.81Å; F63-F174 HydrophobicContact CE1-CG 3.81Å; F63-F174 HydrophobicContact CG-CB 4.49Å; F63-F174 HydrophobicContact CG-CD2 4.49Å; F63-F174 AromaticContact CZ-CD2 3.97Å; F63-F174 HydrophobicContact CZ-CD2 3.97Å; F63-F174 HydrophobicContact CZ-CE2 4.15Å; T64-F174 PolarHBondContact N-O 2.86Å; T64-F174 PolarHBondContact OG1-O 3.31Å; K100-F174 HydrophobicContact CB-CZ 4.22Å; K100-F174 WeakPolarHBondContact O-CE2 3.32Å; K100-F174 VanDerWaalsContact O-CZ 3.32Å; K100-F174 WeakPolarHBondContact O-CZ 3.4Å; A101-F174 HydrophobicContact CB-CE2 4.23Å; A101-F174 HydrophobicContact CB-CZ 4.28Å; A129-F174 HydrophobicContact CB-CD1 4.31Å; F130-F174 AromaticContact CD1-CE1 3.69Å; F130-F174 HydrophobicContact CD1-CE1 3.69Å; F130-F174 HydrophobicContact CD1-CZ 4.05Å; F130-F174 HydrophobicContact CE1-CE1 4.02Å; F130-F174 AromaticContact CE1-CZ 3.97Å; F130-F174 HydrophobicContact CE1-CZ 3.97Å; C133-F174 HydrophobicContact CB-CD1 3.47Å; C133-F174 VanDerWaalsContact CB-CD1 3.47Å; C133-F174 HydrophobicContact CB-CE1 3.23Å; C133-F174 HydrophobicContact CB-CG 4.25Å; C133-F174 HydrophobicContact CB-CZ 3.87Å; F174-F182 HydrophobicContact CB-CD2 4.27Å; F174-F182 AromaticContact CD1-CD2 3.76Å; F174-F182 HydrophobicContact CD1-CD2 3.76Å; F174-F182 AromaticContact CD1-CE2 3.6Å; F174-F182 HydrophobicContact CD1-CE2 3.6Å; F174-F182 HydrophobicContact CE1-CD2 4.27Å; F174-F182 AromaticContact CE1-CE2 3.62Å; F174-F182 HydrophobicContact CE1-CE2 3.62Å; F174-F182 AromaticContact CG-CD2 3.97Å; F174-F182 HydrophobicContact CG-CD2 3.97Å; F174-F182 HydrophobicContact CG-CE2 4.11Å; F174-F182 HydrophobicContact CZ-CE2 4.14Å
175I83.4Confident89.9Confident36 Ų3626.5 Ų26.519%0.18513%0.128CC..EExtended strand (participates in β ladder)trans-110.395.1-178.3-49.2-178.8000109.6L134 E173 R177L134-I175 HydrophobicContact CD1-CD1 3.84Å; E173-I175 HydrophobicContact CG-CD1 4.12Å; E173-I175 HydrophobicContact CG-CG1 3.7Å; I175-R177 HydrophobicContact CG2-CG 3.75Å; I175-R177 PolarHBondContact O-N 3.31Å
176D89.6Confident89.5Confident10 Ų1032 Ų325%0.05315%0.154CC..EExtended strand (participates in β ladder)trans-100.571.3-177.6-1714.5000112.5T64 R65 G66 K178 V179 T180 N181 F182 G183T64-D176 PolarHBondContact O-N 3.44Å; R65-D176 VanDerWaalsContact CA-O 3.3Å; R65-D176 WeakPolarHBondContact CA-O 3.4Å; G66-D176 PolarHBondContact N-O 2.93Å; D176-K178 PolarHBondContact O-N 3.24Å; D176-V179 PolarHBondContact O-N 2.9Å; D176-V179 WeakPolarHBondContact OD1-CA 3.3Å; D176-V179 PolarHBondContact OD1-N 3.06Å; D176-T180 PolarHBondContact OD1-N 3.01Å; D176-T180 PolarHBondContact OD2-N 2.95Å; D176-N181 VanDerWaalsContact OD2-C 3.28Å; D176-N181 VanDerWaalsContact OD2-CA 3.31Å; D176-N181 WeakPolarHBondContact OD2-CA 3.33Å; D176-N181 PolarHBondContact OD2-N 2.86Å; D176-F182 PolarHBondContact OD2-N 2.82Å; D176-G183 VanDerWaalsContact OD2-CA 3.31Å; D176-G183 WeakPolarHBondContact OD2-CA 3.22Å; D176-G183 PolarHBondContact OD2-N 2.68Å
177R85.6Confident89Confident104 Ų10432.3 Ų32.339%0.39216%0.155SC..THydrogen-bonded Turntrans-65.4-26.4-173.9-55.2-174.6-166.7161.43.7114.4K67 I175K67-R177 WeakPolarHBondContact CE-O 3.42Å; K67-R177 HydrophobicContact CG-CB 4.05Å; K67-R177 WeakPolarHBondContact CG-O 3.28Å; I175-R177 HydrophobicContact CG2-CG 3.75Å; I175-R177 PolarHBondContact O-N 3.31Å
178K90Very high88.1Confident162 Ų16236.1 Ų36.170%0.70418%0.176SC*.THydrogen-bonded Turntrans-97.6-3.9-178.3-68.7-175.2178.3-177.70111.7D176 T180D176-K178 PolarHBondContact O-N 3.24Å; K178-T180 VanDerWaalsContact C-N 3.32Å; K178-T180 HydrophobicContact CB-CG2 3.71Å
179V93.1Very high86.9Confident51 Ų5138.3 Ų38.331%0.30919%0.191SC..SBendtrans56.649.9-176.5-1620000109.9R65 D176 G183 L184R65-V179 HydrophobicContact CB-CG2 4.36Å; D176-V179 PolarHBondContact O-N 2.9Å; D176-V179 WeakPolarHBondContact OD1-CA 3.3Å; D176-V179 PolarHBondContact OD1-N 3.06Å; V179-G183 VanDerWaalsContact CG1-O 3.25Å; V179-G183 WeakPolarHBondContact CG1-O 3.5Å; V179-L184 WeakPolarHBondContact O-CD2 3.3Å
180T93.8Very high85.7Confident72 Ų7243 Ų4344%0.44222%0.224SC..SBendtrans-110.5-9.6-178.1570000113.1D176 K178 L184D176-T180 PolarHBondContact OD1-N 3.01Å; D176-T180 PolarHBondContact OD2-N 2.95Å; K178-T180 VanDerWaalsContact C-N 3.32Å; K178-T180 HydrophobicContact CB-CG2 3.71Å; T180-L184 VanDerWaalsContact O-CD1 3.31Å; T180-L184 WeakPolarHBondContact O-CD1 3.33Å
181N94.3Very high84.2Confident20 Ų2047.8 Ų47.811%0.10725%0.25CC..SBendtrans-124.6-120.8-172.6-57.3-5.6000109.5A129 D176 G183 L184A129-N181 HydrophobicContact CB-CB 3.97Å; A129-N181 PolarHBondContact N-ND2 3.25Å; D176-N181 VanDerWaalsContact OD2-C 3.28Å; D176-N181 VanDerWaalsContact OD2-CA 3.31Å; D176-N181 WeakPolarHBondContact OD2-CA 3.33Å; D176-N181 PolarHBondContact OD2-N 2.86Å; N181-G183 PolarHBondContact O-N 2.88Å; N181-L184 VanDerWaalsContact O-CB 3.26Å; N181-L184 WeakPolarHBondContact O-CB 3.37Å; N181-L184 WeakPolarHBondContact O-CG 3.5Å; N181-L184 PolarHBondContact O-N 3.34Å
182F94.5Very high83.4Confident4 Ų448.2 Ų48.22%0.01825%0.252CS..G310 helixtrans-63.7-19.4177.7-66.1-38.3000114.4F63 L106 F109 I126 A129 F130 F174 D176 L184 V185F63-F182 HydrophobicContact CD1-CB 4.18Å; F63-F182 AromaticContact CD1-CD2 3.72Å; F63-F182 HydrophobicContact CD1-CD2 3.72Å; F63-F182 HydrophobicContact CD1-CE2 4.48Å; F63-F182 HydrophobicContact CD1-CG 4.26Å; F63-F182 AromaticContact CE1-CD2 3.52Å; F63-F182 HydrophobicContact CE1-CD2 3.52Å; F63-F182 AromaticContact CE1-CE2 3.86Å; F63-F182 HydrophobicContact CE1-CE2 3.86Å; F63-F182 HydrophobicContact CE1-CG 4.24Å; L106-F182 HydrophobicContact CD1-CE1 3.97Å; L106-F182 HydrophobicContact CD1-CZ 3.79Å; F109-F182 HydrophobicContact CD2-CB 4.28Å; F109-F182 AromaticContact CD2-CD1 3.36Å; F109-F182 HydrophobicContact CD2-CD1 3.36Å; F109-F182 AromaticContact CD2-CE1 3.68Å; F109-F182 HydrophobicContact CD2-CE1 3.68Å; F109-F182 AromaticContact CD2-CG 3.84Å; F109-F182 HydrophobicContact CD2-CG 3.84Å; F109-F182 HydrophobicContact CD2-CZ 4.41Å; F109-F182 HydrophobicContact CE2-CB 3.89Å; F109-F182 AromaticContact CE2-CD1 3.78Å; F109-F182 HydrophobicContact CE2-CD1 3.78Å; F109-F182 HydrophobicContact CE2-CD2 4.27Å; F109-F182 HydrophobicContact CE2-CE1 4.34Å; F109-F182 AromaticContact CE2-CG 3.74Å; F109-F182 HydrophobicContact CE2-CG 3.74Å; F109-F182 HydrophobicContact CG-CD1 4.44Å; I126-F182 HydrophobicContact CG1-CE1 4.02Å; A129-F182 HydrophobicContact CB-CD1 4.37Å; A129-F182 HydrophobicContact CB-CD2 3.62Å; A129-F182 HydrophobicContact CB-CE1 4.17Å; A129-F182 HydrophobicContact CB-CE2 3.38Å; A129-F182 HydrophobicContact CB-CG 4.13Å; A129-F182 HydrophobicContact CB-CZ 3.67Å; F130-F182 HydrophobicContact CD1-CE2 4.31Å; F130-F182 HydrophobicContact CD1-CZ 4.22Å; F130-F182 HydrophobicContact CE1-CE2 4.12Å; F130-F182 AromaticContact CE1-CZ 3.85Å; F130-F182 HydrophobicContact CE1-CZ 3.85Å; F174-F182 HydrophobicContact CB-CD2 4.27Å; F174-F182 AromaticContact CD1-CD2 3.76Å; F174-F182 HydrophobicContact CD1-CD2 3.76Å; F174-F182 AromaticContact CD1-CE2 3.6Å; F174-F182 HydrophobicContact CD1-CE2 3.6Å; F174-F182 HydrophobicContact CE1-CD2 4.27Å; F174-F182 AromaticContact CE1-CE2 3.62Å; F174-F182 HydrophobicContact CE1-CE2 3.62Å; F174-F182 AromaticContact CG-CD2 3.97Å; F174-F182 HydrophobicContact CG-CD2 3.97Å; F174-F182 HydrophobicContact CG-CE2 4.11Å; F174-F182 HydrophobicContact CZ-CE2 4.14Å; D176-F182 PolarHBondContact OD2-N 2.82Å; F182-L184 PolarHBondContact O-N 3.44Å; F182-V185 WeakPolarHBondContact O-CB 3.29Å; F182-V185 PolarHBondContact O-N 3.03Å; F182-V185 VanDerWaalsContact O-N 3.14Å
183G92.9Very high82.7Confident0 Ų056.1 Ų56.10%029%0.29CS..G310 helixtrans-63.2-20.1172.100000113.4R65 D176 V179 N181 V185R65-G183 WeakPolarHBondContact CD-O 3.43Å; R65-G183 PolarHBondContact NH1-O 3.01Å; D176-G183 VanDerWaalsContact OD2-CA 3.31Å; D176-G183 WeakPolarHBondContact OD2-CA 3.22Å; D176-G183 PolarHBondContact OD2-N 2.68Å; V179-G183 VanDerWaalsContact CG1-O 3.25Å; V179-G183 WeakPolarHBondContact CG1-O 3.5Å; N181-G183 PolarHBondContact O-N 2.88Å; G183-V185 PolarHBondContact O-N 3.46Å
184L94.6Very high82.2Confident51 Ų5159.9 Ų59.927%0.26731%0.309SS..G310 helixtrans-70-17174.6-64.3170.7000113.3L113 Y117 I125 V179 T180 N181 F182 E186L113-L184 HydrophobicContact CD2-CB 3.96Å; Y117-L184 HydrophobicContact CE2-CD1 4.37Å; I125-L184 HydrophobicContact CD1-CD1 3.94Å; I125-L184 HydrophobicContact CG1-CD1 4.42Å; V179-L184 WeakPolarHBondContact O-CD2 3.3Å; T180-L184 VanDerWaalsContact O-CD1 3.31Å; T180-L184 WeakPolarHBondContact O-CD1 3.33Å; N181-L184 VanDerWaalsContact O-CB 3.26Å; N181-L184 WeakPolarHBondContact O-CB 3.37Å; N181-L184 WeakPolarHBondContact O-CG 3.5Å; N181-L184 PolarHBondContact O-N 3.34Å; F182-L184 PolarHBondContact O-N 3.44Å; L184-E186 PolarHBondContact O-N 2.84Å; L184-E186 VanDerWaalsContact O-N 3.13Å
185V92.9Very high81.8Confident0 Ų063.2 Ų63.20%033%0.325CS..  trans-81.495.6-178.1-174.70000109.2F109 I112 L113 F182 G183 M187 W198F109-V185 HydrophobicContact CB-CG2 4.09Å; F109-V185 HydrophobicContact CD1-CB 4.34Å; F109-V185 HydrophobicContact CD1-CG1 3.77Å; F109-V185 HydrophobicContact CD1-CG2 4.29Å; F109-V185 HydrophobicContact CD2-CG2 4.33Å; F109-V185 HydrophobicContact CE1-CG1 4.17Å; F109-V185 HydrophobicContact CG-CG1 4.29Å; F109-V185 HydrophobicContact CG-CG2 3.99Å; I112-V185 HydrophobicContact CB-CG1 4.04Å; I112-V185 HydrophobicContact CD1-CG1 3.68Å; I112-V185 HydrophobicContact CG1-CG1 4.49Å; I112-V185 HydrophobicContact CG2-CG1 3.88Å; L113-V185 HydrophobicContact CD1-CG2 4.11Å; L113-V185 HydrophobicContact CD2-CG2 3.83Å; L113-V185 HydrophobicContact CG-CG2 3.82Å; F182-V185 WeakPolarHBondContact O-CB 3.29Å; F182-V185 PolarHBondContact O-N 3.03Å; F182-V185 VanDerWaalsContact O-N 3.14Å; G183-V185 PolarHBondContact O-N 3.46Å; V185-M187 HydrophobicContact CG1-CE 3.49Å; V185-M187 VanDerWaalsContact CG1-CE 3.49Å; V185-M187 HydrophobicContact CG1-CG 4.4Å; V185-M187 HydrophobicContact CG1-SD 4.5Å; V185-M187 PolarHBondContact O-N 3.37Å; V185-W198 PolarHBondContact O-NE1 2.94Å
186E89.2Confident82Confident115 Ų11561.6 Ų61.654%0.53732%0.317SS..  trans-68.4132.3172-65.9-53.3144.600111.2R65 L184R65-E186 IonicContact CZ-OE1 3.37Å; R65-E186 IonicContact CZ-OE2 3.25Å; R65-E186 VanDerWaalsContact NH1-CD 3.25Å; R65-E186 IonicContact NH1-OE1 3.38Å; R65-E186 PolarHBondContact NH1-OE1 3.37Å; R65-E186 IonicContact NH1-OE2 2.68Å; R65-E186 PolarHBondContact NH1-OE2 3.44Å; R65-E186 IonicContact NH2-OE1 2.64Å; R65-E186 IonicContact NH2-OE2 2.82Å; R65-E186 PolarHBondContact NH2-OE2 3.28Å; R65-E186 VanDerWaalsContact NH2-OE2 3.1Å; L184-E186 PolarHBondContact O-N 2.84Å; L184-E186 VanDerWaalsContact O-N 3.13Å
187M85.1Confident81.9Confident7 Ų763.8 Ų63.83%0.03433%0.328CS..  trans-124.5130-178.9-71.5-75.1-177.600108.5L73 F109 I112 V185 N197L73-M187 HydrophobicContact CD1-CB 4.17Å; L73-M187 HydrophobicContact CD1-CG 3.95Å; F109-M187 HydrophobicContact CD1-CE 3.49Å; F109-M187 VanDerWaalsContact CD1-CE 3.49Å; F109-M187 HydrophobicContact CE1-CE 3.32Å; I112-M187 HydrophobicContact CD1-CE 3.67Å; I112-M187 HydrophobicContact CD1-SD 4.02Å; V185-M187 HydrophobicContact CG1-CE 3.49Å; V185-M187 VanDerWaalsContact CG1-CE 3.49Å; V185-M187 HydrophobicContact CG1-CG 4.4Å; V185-M187 HydrophobicContact CG1-SD 4.5Å; V185-M187 PolarHBondContact O-N 3.37Å; M187-N197 PolarHBondContact O-OD1 3.16Å; M187-N197 VanDerWaalsContact O-OD1 3.14Å
188N71.9Confident82Confident80 Ų8059.4 Ų59.443%0.42831%0.312SS..  trans-117.7130.3172.1-179.6-17.6000108S190 N191 N192N188-S190 PolarHBondContact ND2-OG 2.72Å; N188-S190 VanDerWaalsContact ND2-OG 3.16Å; N188-S190 PolarHBondContact O-N 3Å; N188-S190 PolarHBondContact OD1-N 3.48Å; N188-S190 PolarHBondContact OD1-OG 2.96Å; N188-N191 PolarHBondContact O-N 3.4Å; N188-N192 PolarHBondContact O-ND2 3.07Å
189S66Low81.8Confident48 Ų4853.1 Ų53.134%0.33629%0.286SS..G310 helixtrans-54.9-32177.552.20000112.6N191S189-N191 VanDerWaalsContact C-N 3.33Å; S189-N191 PolarHBondContact O-N 2.77Å
190S61.1Low81.5Confident101 Ų10156.4 Ų56.471%0.70630%0.297SS*.G310 helixtrans-73.7-18179.469.80000114.6N188N188-S190 PolarHBondContact ND2-OG 2.72Å; N188-S190 VanDerWaalsContact ND2-OG 3.16Å; N188-S190 PolarHBondContact O-N 3Å; N188-S190 PolarHBondContact OD1-N 3.48Å; N188-S190 PolarHBondContact OD1-OG 2.96Å
191N54.1Low80.8Confident110 Ų11053.4 Ų53.459%0.58828%0.279SS*.G310 helixtrans-106.90.8-172105.68.7000115N188 S189N188-N191 PolarHBondContact O-N 3.4Å; S189-N191 VanDerWaalsContact C-N 3.33Å; S189-N191 PolarHBondContact O-N 2.77Å
192N64.8Low80Confident9 Ų957.3 Ų57.35%0.04830%0.296CS..  trans-138.8125-159.999.865.5000112.1N188 L194 Q195 L196N188-N192 PolarHBondContact O-ND2 3.07Å; N192-L194 PolarHBondContact O-N 3.16Å; N192-L194 PolarHBondContact OD1-N 2.76Å; N192-Q195 WeakPolarHBondContact O-CA 3.44Å; N192-Q195 PolarHBondContact O-N 3.27Å; N192-Q195 PolarHBondContact OD1-N 3.06Å; N192-L196 PolarHBondContact ND2-N 2.91Å; N192-L196 PolarHBondContact ND2-O 2.99Å; N192-L196 PolarHBondContact OD1-N 2.85Å
193E70.8Confident79Confident192 Ų19260.2 Ų60.290%0.89731%0.309SS*.THydrogen-bonded Turntrans-52.7-19.4-179-65.8168.6-169.800115.1
194L71.4Confident78.2Confident79 Ų7964.8 Ų64.841%0.41433%0.334SS..THydrogen-bonded Turntrans-97.6-1.9-178.7-62.8175.9000112.1S75 L105 N192 L196S75-L194 WeakPolarHBondContact CB-O 3.39Å; S75-L194 PolarHBondContact OG-O 3.44Å; L105-L194 HydrophobicContact CD1-CD1 4.21Å; N192-L194 PolarHBondContact O-N 3.16Å; N192-L194 PolarHBondContact OD1-N 2.76Å; L194-L196 HydrophobicContact CB-CD1 3.94Å; L194-L196 HydrophobicContact CB-CD2 4.03Å; L194-L196 HydrophobicContact CB-CG 3.58Å; L194-L196 HydrophobicContact CD1-CD1 3.96Å; L194-L196 WeakPolarHBondContact O-CD2 3.3Å; L194-L196 PolarHBondContact O-N 3.33Å; L194-L196 VanDerWaalsContact O-N 3.13Å
195Q79.4Confident77.2Confident76 Ų7665.1 Ų65.136%0.35534%0.337SS..  trans47.236.8-174.3-58.1-177.941.300113.5S75 V76 D77 N192S75-Q195 CarbonylContact C-O 3.51Å; S75-Q195 WeakPolarHBondContact CA-O 3.35Å; V76-Q195 PolarHBondContact N-O 3.09Å; D77-Q195 PolarHBondContact OD1-OE1 3.44Å; D77-Q195 VanDerWaalsContact OD2-CD 3.25Å; D77-Q195 PolarHBondContact OD2-NE2 3.01Å; D77-Q195 PolarHBondContact OD2-OE1 2.74Å; N192-Q195 WeakPolarHBondContact O-CA 3.44Å; N192-Q195 PolarHBondContact O-N 3.27Å; N192-Q195 PolarHBondContact OD1-N 3.06Å
196L85.8Confident76.3Confident2 Ų265.1 Ų65.11%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-75.5142.8-178-56.1-178.2000111.8L73 A74 L89 L105 N192 L194L73-L196 HydrophobicContact CD1-CB 4.03Å; L73-L196 HydrophobicContact CD2-CD1 4.31Å; L73-L196 HydrophobicContact CG-CB 4.48Å; A74-L196 WeakPolarHBondContact O-CA 3.17Å; L89-L196 HydrophobicContact CD1-CD1 3.94Å; L89-L196 HydrophobicContact CD1-CD2 4.36Å; L89-L196 HydrophobicContact CD2-CD1 4.23Å; L89-L196 HydrophobicContact CD2-CD2 3.37Å; L89-L196 HydrophobicContact CD2-CG 4.45Å; L105-L196 HydrophobicContact CD1-CD1 3.49Å; L105-L196 VanDerWaalsContact CD1-CD1 3.49Å; N192-L196 PolarHBondContact ND2-N 2.91Å; N192-L196 PolarHBondContact ND2-O 2.99Å; N192-L196 PolarHBondContact OD1-N 2.85Å; L194-L196 HydrophobicContact CB-CD1 3.94Å; L194-L196 HydrophobicContact CB-CD2 4.03Å; L194-L196 HydrophobicContact CB-CG 3.58Å; L194-L196 HydrophobicContact CD1-CD1 3.96Å; L194-L196 WeakPolarHBondContact O-CD2 3.3Å; L194-L196 PolarHBondContact O-N 3.33Å; L194-L196 VanDerWaalsContact O-N 3.13Å
197N87.7Confident75.3Confident56 Ų5660.1 Ų60.130%0.29932%0.315SS..EExtended strand (participates in β ladder)trans-143.8156.1168.4-158.81.4000110.3A74 V76 M187A74-N197 PolarHBondContact N-O 3.27Å; A74-N197 VanDerWaalsContact N-O 3.13Å; A74-N197 PolarHBondContact O-N 3.03Å; V76-N197 HydrophobicContact CG2-CB 4.31Å; M187-N197 PolarHBondContact O-OD1 3.16Å; M187-N197 VanDerWaalsContact O-OD1 3.14Å
198W89.3Confident74.6Confident13 Ų1364.2 Ų64.25%0.04934%0.34CS..EExtended strand (participates in β ladder)trans-76.4120.6165-68103.5000108.2F63 R65 E71 L73 V185F63-W198 HydrophobicContact CB-CH2 3.95Å; F63-W198 HydrophobicContact CB-CZ3 4.23Å; R65-W198 HydrophobicContact CB-CE3 4.38Å; R65-W198 HydrophobicContact CB-CH2 4.1Å; R65-W198 HydrophobicContact CB-CZ3 3.9Å; R65-W198 HydrophobicContact CG-CD2 4.03Å; R65-W198 HydrophobicContact CG-CE3 3.61Å; R65-W198 HydrophobicContact CG-CH2 4.1Å; R65-W198 HydrophobicContact CG-CZ2 4.48Å; R65-W198 HydrophobicContact CG-CZ3 3.65Å; R65-W198 VanDerWaalsContact NE-CD2 3.33Å; R65-W198 VanDerWaalsContact NE-CG 3.34Å; E71-W198 HydrophobicContact CB-CB 4.21Å; E71-W198 HydrophobicContact CB-CE3 4.19Å; L73-W198 HydrophobicContact CB-CD2 4.32Å; L73-W198 HydrophobicContact CB-CE3 3.96Å; L73-W198 HydrophobicContact CB-CH2 4.08Å; L73-W198 HydrophobicContact CB-CZ2 4.41Å; L73-W198 HydrophobicContact CB-CZ3 3.84Å; L73-W198 HydrophobicContact CD1-CD2 4.08Å; L73-W198 HydrophobicContact CD1-CG 4.33Å; L73-W198 HydrophobicContact CD1-CZ2 4.45Å; V185-W198 PolarHBondContact O-NE1 2.94Å
199I85.7Confident74.6Confident30 Ų3062.5 Ų62.515%0.15433%0.327CS..EExtended strand (participates in β ladder)trans-115130.3-175.7-55.8175.1000107.9E71 Y72 A74 Y78 L201E71-I199 CarbonylContact C-O 3.51Å; E71-I199 WeakPolarHBondContact CA-O 2.94Å; Y72-I199 HydrophobicContact CD1-CB 4.43Å; Y72-I199 WeakPolarHBondContact CD1-O 3.46Å; Y72-I199 HydrophobicContact CE1-CB 3.88Å; Y72-I199 HydrophobicContact CE1-CG2 3.92Å; Y72-I199 WeakPolarHBondContact CE1-O 3.38Å; Y72-I199 HydrophobicContact CE2-CB 4.46Å; Y72-I199 PolarHBondContact N-O 3.47Å; Y72-I199 PolarHBondContact O-N 3.43Å; A74-I199 HydrophobicContact CB-CD1 4.19Å; Y78-I199 HydrophobicContact CE1-CD1 3.65Å; Y78-I199 VanDerWaalsContact OH-CD1 3.28Å; Y78-I199 WeakPolarHBondContact OH-CD1 3.13Å; I199-L201 PolarHBondContact O-N 2.65Å
200E85.8Confident74.7Confident119 Ų11960.2 Ų60.256%0.55631%0.312SS*.EExtended strand (participates in β ladder)trans-57.8130.5173.6178.7164.9-17600111P69 E202P69-E200 HydrophobicContact CB-CB 4.49Å; P69-E200 HydrophobicContact CB-CG 3.74Å; P69-E200 WeakPolarHBondContact CB-OE1 3.42Å; E200-E202 VanDerWaalsContact C-N 3.28Å; E200-E202 PolarHBondContact O-N 2.88Å
201L79.4Confident75Confident10 Ų1062.6 Ų62.65%0.05231%0.305CS..  trans-79.278.7175.7-169.381.3000109.6I70 Y72 I199 M206 V248I70-L201 HydrophobicContact CB-CB 4.3Å; I70-L201 HydrophobicContact CG2-CB 4.15Å; I70-L201 HydrophobicContact CG2-CD2 4.15Å; I70-L201 WeakPolarHBondContact O-CB 3.5Å; I70-L201 PolarHBondContact O-N 3.15Å; Y72-L201 HydrophobicContact CD1-CB 4.08Å; Y72-L201 HydrophobicContact CD1-CD1 3.63Å; Y72-L201 HydrophobicContact CD1-CG 4.5Å; Y72-L201 HydrophobicContact CE1-CB 4.46Å; Y72-L201 HydrophobicContact CE1-CD1 3.91Å; Y72-L201 HydrophobicContact CG-CD1 4.42Å; I199-L201 PolarHBondContact O-N 2.65Å; L201-M206 HydrophobicContact CD1-CE 4.05Å; L201-M206 HydrophobicContact CD1-CG 3.58Å; L201-M206 HydrophobicContact CD1-SD 3.83Å; L201-M206 HydrophobicContact CG-CG 4.09Å; L201-V248 HydrophobicContact CD2-CG2 4.01Å
202E77.7Confident75.7Confident101 Ų10163 Ų6347%0.47230%0.302SS..  trans-79.4128.1176-166.9-175.9166.900111.2E200 D204 V205 M206E200-E202 VanDerWaalsContact C-N 3.28Å; E200-E202 PolarHBondContact O-N 2.88Å; E202-D204 VanDerWaalsContact C-N 3.31Å; E202-D204 PolarHBondContact O-N 3.46Å; E202-V205 HydrophobicContact CB-CB 4.2Å; E202-V205 HydrophobicContact CB-CG2 4.05Å; E202-V205 HydrophobicContact CG-CG2 4.31Å; E202-V205 PolarHBondContact O-N 3.48Å; E202-V205 VanDerWaalsContact OE2-CG2 3.3Å; E202-V205 WeakPolarHBondContact OE2-CG2 3.23Å; E202-M206 WeakPolarHBondContact O-CB 3.32Å; E202-M206 WeakPolarHBondContact O-CG 3.43Å; E202-M206 PolarHBondContact O-N 3.14Å
203K73.2Confident75.6Confident65 Ų6563.4 Ų63.428%0.28330%0.304SS..Hα-helixtrans-53.8-46.2-176.1-176-168.2172.8-1600112.7M206 T207 F232 F236K203-M206 PolarHBondContact O-N 2.66Å; K203-T207 VanDerWaalsContact O-CB 3.25Å; K203-T207 WeakPolarHBondContact O-CB 3.38Å; K203-T207 PolarHBondContact O-N 3.06Å; K203-T207 PolarHBondContact O-OG1 3.12Å; K203-F232 HydrophobicContact CG-CZ 4.23Å; K203-F236 HydrophobicContact CB-CD1 3.75Å; K203-F236 HydrophobicContact CB-CD2 4.16Å; K203-F236 HydrophobicContact CB-CE1 3.61Å; K203-F236 HydrophobicContact CB-CE2 4.07Å; K203-F236 HydrophobicContact CB-CG 4.03Å; K203-F236 HydrophobicContact CB-CZ 3.78Å; K203-F236 HydrophobicContact CD-CB 3.81Å; K203-F236 HydrophobicContact CD-CD1 3.87Å; K203-F236 HydrophobicContact CD-CD2 4.33Å; K203-F236 HydrophobicContact CD-CG 3.73Å; K203-F236 HydrophobicContact CG-CB 4.2Å; K203-F236 HydrophobicContact CG-CD1 3.87Å; K203-F236 HydrophobicContact CG-CD2 3.76Å; K203-F236 HydrophobicContact CG-CE1 4.19Å; K203-F236 HydrophobicContact CG-CE2 4.13Å; K203-F236 HydrophobicContact CG-CG 3.65Å; K203-F236 HydrophobicContact CG-CZ 4.32Å
204D75.7Confident75.2Confident97 Ų9755.3 Ų55.352%0.51927%0.268SS..Hα-helixtrans-76.7-42.2-169.4-67.8-19000110.5E202 M206 T207 V208E202-D204 VanDerWaalsContact C-N 3.31Å; E202-D204 PolarHBondContact O-N 3.46Å; D204-M206 VanDerWaalsContact C-N 3.33Å; D204-M206 PolarHBondContact O-N 3.37Å; D204-T207 WeakPolarHBondContact O-CB 3.16Å; D204-T207 PolarHBondContact O-N 2.85Å; D204-V208 WeakPolarHBondContact O-CG2 3.5Å; D204-V208 PolarHBondContact O-N 3.29Å
205V75Confident74.8Confident57 Ų5755.2 Ų55.235%0.34527%0.274SS..Hα-helixtrans-56.1-48.2170178.30000110.8E202 T207 V208 R209E202-V205 HydrophobicContact CB-CB 4.2Å; E202-V205 HydrophobicContact CB-CG2 4.05Å; E202-V205 HydrophobicContact CG-CG2 4.31Å; E202-V205 PolarHBondContact O-N 3.48Å; E202-V205 VanDerWaalsContact OE2-CG2 3.3Å; E202-V205 WeakPolarHBondContact OE2-CG2 3.23Å; V205-T207 VanDerWaalsContact C-N 3.34Å; V205-T207 PolarHBondContact O-N 3.49Å; V205-V208 PolarHBondContact O-N 3.49Å; V205-R209 VanDerWaalsContact O-CG 3.3Å; V205-R209 WeakPolarHBondContact O-CG 3.17Å; V205-R209 PolarHBondContact O-N 3.46Å
206M72.6Confident73.8Confident1 Ų156.3 Ų56.31%0.00528%0.275CS..Hα-helixtrans-66.5-36.1178.7-70.1-57.1-57.200112.7Y72 L86 L201 E202 K203 D204 R209 L210 F232 V251Y72-M206 HydrophobicContact CE1-SD 4.36Å; L86-M206 HydrophobicContact CD1-CE 3.45Å; L86-M206 VanDerWaalsContact CD1-CE 3.45Å; L86-M206 HydrophobicContact CD2-CE 3.43Å; L86-M206 VanDerWaalsContact CD2-CE 3.43Å; L86-M206 HydrophobicContact CD2-SD 3.52Å; L86-M206 VanDerWaalsContact CD2-SD 3.52Å; L86-M206 HydrophobicContact CG-CE 4.1Å; L201-M206 HydrophobicContact CD1-CE 4.05Å; L201-M206 HydrophobicContact CD1-CG 3.58Å; L201-M206 HydrophobicContact CD1-SD 3.83Å; L201-M206 HydrophobicContact CG-CG 4.09Å; E202-M206 WeakPolarHBondContact O-CB 3.32Å; E202-M206 WeakPolarHBondContact O-CG 3.43Å; E202-M206 PolarHBondContact O-N 3.14Å; K203-M206 PolarHBondContact O-N 2.66Å; D204-M206 VanDerWaalsContact C-N 3.33Å; D204-M206 PolarHBondContact O-N 3.37Å; M206-R209 PolarHBondContact O-N 3.3Å; M206-L210 WeakPolarHBondContact O-CB 3.34Å; M206-L210 VanDerWaalsContact O-CG 3.24Å; M206-L210 WeakPolarHBondContact O-CG 3.41Å; M206-L210 PolarHBondContact O-N 3.2Å; M206-F232 HydrophobicContact CB-CZ 4.32Å; M206-V251 HydrophobicContact CE-CG1 3.32Å
207T68.3Low72.4Confident10 Ų1056.5 Ų56.56%0.06128%0.276CS..Hα-helixtrans-62.5-48.8175.5-66.80000111.2K203 D204 V205 R209 L210 R211 F229 F232K203-T207 VanDerWaalsContact O-CB 3.25Å; K203-T207 WeakPolarHBondContact O-CB 3.38Å; K203-T207 PolarHBondContact O-N 3.06Å; K203-T207 PolarHBondContact O-OG1 3.12Å; D204-T207 WeakPolarHBondContact O-CB 3.16Å; D204-T207 PolarHBondContact O-N 2.85Å; V205-T207 VanDerWaalsContact C-N 3.34Å; V205-T207 PolarHBondContact O-N 3.49Å; T207-R209 VanDerWaalsContact C-N 3.3Å; T207-R209 PolarHBondContact O-N 3.33Å; T207-L210 PolarHBondContact O-N 2.88Å; T207-R211 WeakPolarHBondContact O-CB 3.16Å; T207-R211 WeakPolarHBondContact O-CG 3.2Å; T207-R211 PolarHBondContact O-N 2.73Å; T207-F229 HydrophobicContact CG2-CE2 4.19Å; T207-F229 HydrophobicContact CG2-CZ 3.71Å; T207-F232 WeakPolarHBondContact OG1-CE1 3.12Å
208V71.2Confident70.8Confident93 Ų9358.4 Ų58.456%0.56428%0.283SS*.Hα-helixtrans-59.5-44.1177.71710000110.3D204 V205 R211 K212D204-V208 WeakPolarHBondContact O-CG2 3.5Å; D204-V208 PolarHBondContact O-N 3.29Å; V205-V208 PolarHBondContact O-N 3.49Å; V208-R211 PolarHBondContact O-N 3.15Å; V208-K212 PolarHBondContact O-N 3.22Å
209R71.1Confident69.1Low43 Ų4366.2 Ų66.216%0.16232%0.317CS..Hα-helixtrans-64.9-49.3178-71.2175.6-179.2-179.6-4.1112.2Y72 Y78 L86 V205 M206 T207 R211 K212 V213Y72-R209 PolarHBondContact OH-NH1 3.42Å; Y78-R209 VanDerWaalsContact CE2-NH1 3.27Å; Y78-R209 PolarHBondContact OH-NH1 3.13Å; Y78-R209 PolarHBondContact OH-NH2 3.05Å; Y78-R209 VanDerWaalsContact OH-NH2 3.07Å; L86-R209 HydrophobicContact CD2-CB 4.3Å; V205-R209 VanDerWaalsContact O-CG 3.3Å; V205-R209 WeakPolarHBondContact O-CG 3.17Å; V205-R209 PolarHBondContact O-N 3.46Å; M206-R209 PolarHBondContact O-N 3.3Å; T207-R209 VanDerWaalsContact C-N 3.3Å; T207-R209 PolarHBondContact O-N 3.33Å; R209-R211 VanDerWaalsContact C-N 3.26Å; R209-R211 PolarHBondContact O-N 3.03Å; R209-K212 WeakPolarHBondContact O-CB 3.43Å; R209-K212 PolarHBondContact O-N 3.34Å; R209-V213 WeakPolarHBondContact O-CG2 3.17Å; R209-V213 PolarHBondContact O-N 2.74Å
210L68Low67.5Low1 Ų171.9 Ų71.91%0.00534%0.343CS..Hα-helixtrans-57.1-42176.3-72.9173.2000110.6M206 T207 V213 T214 F229 F232 V251 I254M206-L210 WeakPolarHBondContact O-CB 3.34Å; M206-L210 VanDerWaalsContact O-CG 3.24Å; M206-L210 WeakPolarHBondContact O-CG 3.41Å; M206-L210 PolarHBondContact O-N 3.2Å; T207-L210 PolarHBondContact O-N 2.88Å; L210-V213 PolarHBondContact O-N 3.38Å; L210-T214 WeakPolarHBondContact O-CB 3.15Å; L210-T214 WeakPolarHBondContact O-CG2 3.19Å; L210-T214 PolarHBondContact O-N 3.27Å; L210-T214 PolarHBondContact O-OG1 3.05Å; L210-F229 HydrophobicContact CB-CD2 4.21Å; L210-F229 HydrophobicContact CB-CE2 4.1Å; L210-F229 HydrophobicContact CD1-CD2 4.06Å; L210-F229 HydrophobicContact CD1-CE2 4.19Å; L210-F232 HydrophobicContact CD1-CD1 4.17Å; L210-F232 HydrophobicContact CD1-CE1 4.13Å; L210-F232 HydrophobicContact CD1-CZ 4.41Å; L210-V251 HydrophobicContact CD1-CG1 4.44Å; L210-I254 HydrophobicContact CD1-CD1 3.82Å; L210-I254 HydrophobicContact CD2-CB 4.04Å; L210-I254 HydrophobicContact CD2-CG2 3.83Å
211R68.7Low65.9Low150 Ų15067.1 Ų67.157%0.56632%0.32SS*.Hα-helixtrans-60-46.3173.2-73.9175.7179.5173.30.4112.5T207 V208 R209 V213 T214 S215T207-R211 WeakPolarHBondContact O-CB 3.16Å; T207-R211 WeakPolarHBondContact O-CG 3.2Å; T207-R211 PolarHBondContact O-N 2.73Å; V208-R211 PolarHBondContact O-N 3.15Å; R209-R211 VanDerWaalsContact C-N 3.26Å; R209-R211 PolarHBondContact O-N 3.03Å; R211-V213 PolarHBondContact O-N 2.99Å; R211-T214 WeakPolarHBondContact CA-OG1 3.3Å; R211-T214 PolarHBondContact O-N 2.8Å; R211-T214 PolarHBondContact O-OG1 3.13Å; R211-S215 WeakPolarHBondContact O-CB 3.14Å; R211-S215 PolarHBondContact O-N 2.89Å
212K68Low64.8Low120 Ų12073.2 Ų73.252%0.52234%0.343SS..Hα-helixtrans-57.8-50.6178.1-173.2176.7-178.8177.80111.3V208 R209 S215V208-K212 PolarHBondContact O-N 3.22Å; R209-K212 WeakPolarHBondContact O-CB 3.43Å; R209-K212 PolarHBondContact O-N 3.34Å; K212-S215 PolarHBondContact O-OG 3.37Å
213V62.4Low64Low17 Ų1774.2 Ų74.210%0.10335%0.347CS..Hα-helixtrans-69.2-39.4-179-166.40000111.2Y85 R209 L210 R211 S215 R216 V258Y85-V213 HydrophobicContact CD1-CG1 3.4Å; Y85-V213 HydrophobicContact CE1-CG1 3.44Å; Y85-V213 VanDerWaalsContact CE1-CG1 3.44Å; R209-V213 WeakPolarHBondContact O-CG2 3.17Å; R209-V213 PolarHBondContact O-N 2.74Å; L210-V213 PolarHBondContact O-N 3.38Å; R211-V213 PolarHBondContact O-N 2.99Å; V213-S215 PolarHBondContact O-N 3.47Å; V213-R216 PolarHBondContact O-N 2.86Å; V213-V258 HydrophobicContact CB-CG1 4.06Å; V213-V258 HydrophobicContact CG1-CB 4.32Å; V213-V258 HydrophobicContact CG1-CG1 3.25Å
214T62.1Low63.3Low22 Ų2275.1 Ų75.114%0.13535%0.349CS..Hα-helixtrans-74.7-24-177.658.90000113.8L210 R211 R216 T217 I225 I254 V258L210-T214 WeakPolarHBondContact O-CB 3.15Å; L210-T214 WeakPolarHBondContact O-CG2 3.19Å; L210-T214 PolarHBondContact O-N 3.27Å; L210-T214 PolarHBondContact O-OG1 3.05Å; R211-T214 WeakPolarHBondContact CA-OG1 3.3Å; R211-T214 PolarHBondContact O-N 2.8Å; R211-T214 PolarHBondContact O-OG1 3.13Å; T214-R216 PolarHBondContact O-N 3.15Å; T214-R216 VanDerWaalsContact O-N 3.15Å; T214-T217 VanDerWaalsContact O-CB 3.29Å; T214-T217 WeakPolarHBondContact O-CB 3.49Å; T214-T217 WeakPolarHBondContact O-CG2 3.27Å; T214-T217 PolarHBondContact O-N 3.49Å; T214-T217 PolarHBondContact O-OG1 2.74Å; T214-I225 HydrophobicContact CG2-CB 4.37Å; T214-I225 HydrophobicContact CG2-CD1 3.95Å; T214-I225 HydrophobicContact CG2-CG1 4.3Å; T214-I225 HydrophobicContact CG2-CG2 3.25Å; T214-I254 HydrophobicContact CG2-CG2 4.15Å; T214-V258 HydrophobicContact CG2-CG2 3.39Å
215S64.4Low62.5Low77 Ų7770.9 Ų70.954%0.53833%0.326SS..THydrogen-bonded Turntrans-59.7-24.6176.369.40000113.3R211 K212 V213 T217R211-S215 WeakPolarHBondContact O-CB 3.14Å; R211-S215 PolarHBondContact O-N 2.89Å; K212-S215 PolarHBondContact O-OG 3.37Å; V213-S215 PolarHBondContact O-N 3.47Å; S215-T217 PolarHBondContact O-N 2.84Å
216R58.3Low61.9Low99 Ų9975 Ų7537%0.37434%0.336SS..THydrogen-bonded Turntrans-81.31.3178.1-59-179.6176.3179.4-4.6113.5S82 V213 T214 V262S82-R216 PolarHBondContact O-NH1 2.9Å; S82-R216 PolarHBondContact OG-NH1 2.93Å; S82-R216 PolarHBondContact OG-NH2 3.13Å; S82-R216 VanDerWaalsContact OG-NH2 3.12Å; V213-R216 PolarHBondContact O-N 2.86Å; T214-R216 PolarHBondContact O-N 3.15Å; T214-R216 VanDerWaalsContact O-N 3.15Å; R216-V262 HydrophobicContact CB-CG1 3.61Å; R216-V262 HydrophobicContact CB-CG2 4.44Å
217T54.9Low61.4Low6 Ų678.5 Ų78.54%0.03736%0.355CS..SBendtrans-93.7147.1-174.9680000112.6T214 S215 F221 R222 I225 V258 V262T214-T217 VanDerWaalsContact O-CB 3.29Å; T214-T217 WeakPolarHBondContact O-CB 3.49Å; T214-T217 WeakPolarHBondContact O-CG2 3.27Å; T214-T217 PolarHBondContact O-N 3.49Å; T214-T217 PolarHBondContact O-OG1 2.74Å; S215-T217 PolarHBondContact O-N 2.84Å; T217-F221 HydrophobicContact CG2-CD1 4.07Å; T217-R222 PolarHBondContact O-NE 2.64Å; T217-R222 WeakPolarHBondContact OG1-CG 3.28Å; T217-I225 HydrophobicContact CG2-CD1 3.3Å; T217-I225 WeakPolarHBondContact OG1-CD1 3.25Å; T217-V258 HydrophobicContact CG2-CG1 3.98Å; T217-V258 HydrophobicContact CG2-CG2 4.46Å; T217-V262 HydrophobicContact CG2-CB 4.5Å; T217-V262 HydrophobicContact CG2-CG2 3.05Å
218E54.4Low61.1Low96 Ų9678.2 Ų78.245%0.44935%0.353SS..  trans-58.2152.6172.2-90.3174.6-161.800113.5H220 F221 R222 V265E218-H220 PolarHBondContact O-N 3.17Å; E218-F221 WeakPolarHBondContact O-CA 3.27Å; E218-F221 WeakPolarHBondContact O-CB 3.24Å; E218-F221 PolarHBondContact O-N 2.97Å; E218-R222 PolarHBondContact O-N 3.18Å; E218-V265 HydrophobicContact CG-CG2 3.73Å
219K54.3Low60.7Low176 Ų17675.1 Ų75.177%0.76533%0.332SS*.Hα-helixtrans-58.3-44.4-172.2-158.5179.1-177.6-177.30113.5F221 R222K219-F221 PolarHBondContact O-N 2.85Å; K219-R222 WeakPolarHBondContact O-CB 3.29Å; K219-R222 PolarHBondContact O-N 3.42Å
220H52Low60.5Low149 Ų14976.9 Ų76.969%0.6934%0.344SS*.Hα-helixtrans-67-23.9177.8-162.7-54000112E218E218-H220 PolarHBondContact O-N 3.17Å
221F51.8Low60.2Low19 Ų1983.2 Ų83.28%0.08337%0.368CS..Hα-helixtrans-85.8-29.5178.4-161.6-105.3000113.2T217 E218 K219 E223 R224 I225 T257 T261T217-F221 HydrophobicContact CG2-CD1 4.07Å; E218-F221 WeakPolarHBondContact O-CA 3.27Å; E218-F221 WeakPolarHBondContact O-CB 3.24Å; E218-F221 PolarHBondContact O-N 2.97Å; K219-F221 PolarHBondContact O-N 2.85Å; F221-E223 PolarHBondContact O-N 2.93Å; F221-E223 VanDerWaalsContact O-N 3.1Å; F221-R224 HydrophobicContact CD2-CB 4.29Å; F221-R224 HydrophobicContact CD2-CG 4.49Å; F221-R224 HydrophobicContact CE2-CB 4.2Å; F221-R224 PolarHBondContact O-N 2.82Å; F221-I225 HydrophobicContact CD1-CD1 3.23Å; F221-I225 HydrophobicContact CD1-CG1 3.7Å; F221-I225 HydrophobicContact CE1-CD1 3.4Å; F221-I225 VanDerWaalsContact CE1-CD1 3.4Å; F221-I225 HydrophobicContact CE1-CG1 3.5Å; F221-I225 VanDerWaalsContact CE1-CG1 3.5Å; F221-I225 HydrophobicContact CG-CD1 4.39Å; F221-I225 HydrophobicContact CZ-CG1 4.45Å; F221-I225 PolarHBondContact O-N 2.91Å; F221-T257 HydrophobicContact CE1-CG2 3.59Å; F221-T257 VanDerWaalsContact CE1-O 3.27Å; F221-T257 WeakPolarHBondContact CE1-O 3.46Å; F221-T257 HydrophobicContact CE2-CG2 3.87Å; F221-T257 HydrophobicContact CZ-CG2 3.03Å; F221-T257 WeakPolarHBondContact CZ-O 3.44Å; F221-T261 HydrophobicContact CD1-CG2 4.29Å; F221-T261 VanDerWaalsContact CD1-OG1 3.25Å; F221-T261 WeakPolarHBondContact CD1-OG1 3.3Å; F221-T261 HydrophobicContact CD2-CG2 3.79Å; F221-T261 HydrophobicContact CE1-CG2 3.82Å; F221-T261 WeakPolarHBondContact CE1-OG1 3.46Å; F221-T261 HydrophobicContact CE2-CG2 3.26Å; F221-T261 HydrophobicContact CG-CG2 4.25Å; F221-T261 HydrophobicContact CZ-CG2 3.21Å; F221-T261 WeakPolarHBondContact CZ-OG1 3.38Å
222R56.4Low60Low138 Ų13876.1 Ų76.152%0.52134%0.341SS..Hα-helixtrans-51.2-34.3171.9-69.9-177.1-163.1177.93.1112.1T217 E218 K219 R226T217-R222 PolarHBondContact O-NE 2.64Å; T217-R222 WeakPolarHBondContact OG1-CG 3.28Å; E218-R222 PolarHBondContact O-N 3.18Å; K219-R222 WeakPolarHBondContact O-CB 3.29Å; K219-R222 PolarHBondContact O-N 3.42Å; R222-R226 WeakPolarHBondContact O-CA 3.26Å; R222-R226 WeakPolarHBondContact O-CB 3.28Å; R222-R226 PolarHBondContact O-N 3.45Å
223E60.8Low59.9Low122 Ų12272.6 Ų72.657%0.5733%0.328SS*.Hα-helixtrans-66.7-42.3176.2-67-173166.200113.3F221 R226 N227F221-E223 PolarHBondContact O-N 2.93Å; F221-E223 VanDerWaalsContact O-N 3.1Å; E223-R226 WeakPolarHBondContact O-CB 3.41Å; E223-R226 PolarHBondContact O-N 2.73Å; E223-N227 PolarHBondContact O-N 2.83Å
224R58.8Low60Low84 Ų8474.4 Ų74.432%0.31734%0.341SS..Hα-helixtrans-64.1-45.4177.1-68.6176.873.4177.31.7110.6A139 F221 N227 S228A139-R224 PolarHBondContact O-NH2 3.13Å; F221-R224 HydrophobicContact CD2-CB 4.29Å; F221-R224 HydrophobicContact CD2-CG 4.49Å; F221-R224 HydrophobicContact CE2-CB 4.2Å; F221-R224 PolarHBondContact O-N 2.82Å; R224-N227 PolarHBondContact O-N 3Å; R224-S228 PolarHBondContact O-N 3.09Å
225I58.3Low60Low8 Ų874.2 Ų74.24%0.04134%0.34CS..Hα-helixtrans-59.5-47.6172.8-73.2163.7000110.5T214 T217 F221 N227 S228 F229 I254 T257 V258T214-I225 HydrophobicContact CG2-CB 4.37Å; T214-I225 HydrophobicContact CG2-CD1 3.95Å; T214-I225 HydrophobicContact CG2-CG1 4.3Å; T214-I225 HydrophobicContact CG2-CG2 3.25Å; T217-I225 HydrophobicContact CG2-CD1 3.3Å; T217-I225 WeakPolarHBondContact OG1-CD1 3.25Å; F221-I225 HydrophobicContact CD1-CD1 3.23Å; F221-I225 HydrophobicContact CD1-CG1 3.7Å; F221-I225 HydrophobicContact CE1-CD1 3.4Å; F221-I225 VanDerWaalsContact CE1-CD1 3.4Å; F221-I225 HydrophobicContact CE1-CG1 3.5Å; F221-I225 VanDerWaalsContact CE1-CG1 3.5Å; F221-I225 HydrophobicContact CG-CD1 4.39Å; F221-I225 HydrophobicContact CZ-CG1 4.45Å; F221-I225 PolarHBondContact O-N 2.91Å; I225-N227 VanDerWaalsContact C-N 3.27Å; I225-N227 PolarHBondContact O-N 2.85Å; I225-S228 CarbonylContact O-C 3.53Å; I225-S228 PolarHBondContact O-N 2.83Å; I225-S228 VanDerWaalsContact O-N 3.15Å; I225-F229 WeakPolarHBondContact O-CB 3.21Å; I225-F229 PolarHBondContact O-N 3.44Å; I225-I254 HydrophobicContact CG2-CG2 4.08Å; I225-T257 HydrophobicContact CG1-CG2 4.33Å; I225-V258 HydrophobicContact CD1-CG2 3.63Å; I225-V258 HydrophobicContact CG1-CG2 3.81Å
226R62.2Low59.9Low145 Ų14573.3 Ų73.355%0.54733%0.327SS..Hα-helixtrans-55.1-45.3-179.4-173-165.676.3124.24.9110.1R222 E223 F229 L230R222-R226 WeakPolarHBondContact O-CA 3.26Å; R222-R226 WeakPolarHBondContact O-CB 3.28Å; R222-R226 PolarHBondContact O-N 3.45Å; E223-R226 WeakPolarHBondContact O-CB 3.41Å; E223-R226 PolarHBondContact O-N 2.73Å; R226-F229 CarbonylContact O-C 3.58Å; R226-F229 PolarHBondContact O-N 3.06Å; R226-L230 HydrophobicContact CG-CD1 3.96Å; R226-L230 HydrophobicContact CG-CG 4.23Å; R226-L230 WeakPolarHBondContact O-CB 3.29Å; R226-L230 WeakPolarHBondContact O-CG 3.26Å; R226-L230 PolarHBondContact O-N 2.86Å
227N62.5Low60Low74 Ų7477.2 Ų77.240%0.39635%0.346SS..Hα-helixtrans-65.3-43.2179.4-69.6-11.7000112.4E223 R224 I225 F229 R231E223-N227 PolarHBondContact O-N 2.83Å; R224-N227 PolarHBondContact O-N 3Å; I225-N227 VanDerWaalsContact C-N 3.27Å; I225-N227 PolarHBondContact O-N 2.85Å; N227-F229 VanDerWaalsContact C-N 3.35Å; N227-R231 WeakPolarHBondContact O-CG 3.42Å; N227-R231 PolarHBondContact O-N 2.87Å
228S62.1Low60.1Low4 Ų482.2 Ų82.23%0.02837%0.367CS..Hα-helixtrans-66.5-37.1174.5-65.80000112.2R224 I225 R231 F232 I254R224-S228 PolarHBondContact O-N 3.09Å; I225-S228 CarbonylContact O-C 3.53Å; I225-S228 PolarHBondContact O-N 2.83Å; I225-S228 VanDerWaalsContact O-N 3.15Å; S228-R231 WeakPolarHBondContact O-CB 3.36Å; S228-R231 PolarHBondContact O-N 3.12Å; S228-R231 PolarHBondContact OG-NH2 2.9Å; S228-F232 PolarHBondContact O-N 3.43Å; S228-I254 WeakPolarHBondContact O-CD1 3.28Å
229F63.5Low59.8Low28 Ų2887.4 Ų87.412%0.12339%0.388CS..Hα-helixtrans-68.3-39.8176.3-174.3-102.2000112.7T207 L210 I225 R226 N227 F232 L233 I254T207-F229 HydrophobicContact CG2-CE2 4.19Å; T207-F229 HydrophobicContact CG2-CZ 3.71Å; L210-F229 HydrophobicContact CB-CD2 4.21Å; L210-F229 HydrophobicContact CB-CE2 4.1Å; L210-F229 HydrophobicContact CD1-CD2 4.06Å; L210-F229 HydrophobicContact CD1-CE2 4.19Å; I225-F229 WeakPolarHBondContact O-CB 3.21Å; I225-F229 PolarHBondContact O-N 3.44Å; R226-F229 CarbonylContact O-C 3.58Å; R226-F229 PolarHBondContact O-N 3.06Å; N227-F229 VanDerWaalsContact C-N 3.35Å; F229-F232 AromaticContact CD2-CD1 3.82Å; F229-F232 HydrophobicContact CD2-CD1 3.82Å; F229-F232 HydrophobicContact CD2-CE1 4.32Å; F229-F232 AromaticContact CE2-CD1 3.79Å; F229-F232 HydrophobicContact CE2-CD1 3.79Å; F229-F232 AromaticContact CE2-CE1 3.84Å; F229-F232 HydrophobicContact CE2-CE1 3.84Å; F229-F232 HydrophobicContact CZ-CE1 4.48Å; F229-F232 WeakPolarHBondContact O-CB 3.42Å; F229-F232 PolarHBondContact O-N 3.42Å; F229-L233 HydrophobicContact CD1-CD1 3.9Å; F229-L233 HydrophobicContact CD1-CG 4.27Å; F229-L233 HydrophobicContact CE1-CD1 3.38Å; F229-L233 HydrophobicContact CE1-CD2 4.42Å; F229-L233 HydrophobicContact CE1-CG 3.87Å; F229-L233 HydrophobicContact CZ-CD1 3.94Å; F229-L233 HydrophobicContact CZ-CD2 4.15Å; F229-L233 HydrophobicContact CZ-CG 4.04Å; F229-L233 WeakPolarHBondContact O-CG 3.49Å; F229-L233 PolarHBondContact O-N 3.12Å; F229-I254 VanDerWaalsContact CA-CD1 3.45Å; F229-I254 HydrophobicContact CB-CD1 4.04Å; F229-I254 HydrophobicContact CD2-CD1 4.21Å
230L65.9Low59.9Low80 Ų8081.8 Ų81.842%0.41937%0.372SS..Hα-helixtrans-65.9-37.5172.2-71.7173.6000111.4R226 L233 S234R226-L230 HydrophobicContact CG-CD1 3.96Å; R226-L230 HydrophobicContact CG-CG 4.23Å; R226-L230 WeakPolarHBondContact O-CB 3.29Å; R226-L230 WeakPolarHBondContact O-CG 3.26Å; R226-L230 PolarHBondContact O-N 2.86Å; L230-L233 PolarHBondContact O-N 3.21Å; L230-S234 VanDerWaalsContact O-CB 3.27Å; L230-S234 WeakPolarHBondContact O-CB 3.18Å; L230-S234 PolarHBondContact O-N 3.3Å; L230-S234 PolarHBondContact O-OG 3.4Å
231R63.1Low59.9Low134 Ų13478.7 Ų78.751%0.50636%0.363SS..Hα-helixtrans-62.5-42.4170.5-75.5-174.7-68.5-119.70.8111.7N227 S228 S234 T235N227-R231 WeakPolarHBondContact O-CG 3.42Å; N227-R231 PolarHBondContact O-N 2.87Å; S228-R231 WeakPolarHBondContact O-CB 3.36Å; S228-R231 PolarHBondContact O-N 3.12Å; S228-R231 PolarHBondContact OG-NH2 2.9Å; R231-S234 WeakPolarHBondContact CA-OG 3.23Å; R231-S234 PolarHBondContact O-OG 2.59Å; R231-T235 WeakPolarHBondContact O-CB 3.32Å; R231-T235 VanDerWaalsContact O-CG2 3.27Å; R231-T235 WeakPolarHBondContact O-CG2 3.41Å; R231-T235 PolarHBondContact O-N 2.79Å; R231-T235 PolarHBondContact O-OG1 3.02Å
232F64.3Low60Low0 Ų085 Ų850%039%0.39CS..Hα-helixtrans-59.4-52.5172.6156.2-106.8000112K203 M206 T207 L210 S228 F229 S234 T235 F236 T247 A250 V251 I254K203-F232 HydrophobicContact CG-CZ 4.23Å; M206-F232 HydrophobicContact CB-CZ 4.32Å; T207-F232 WeakPolarHBondContact OG1-CE1 3.12Å; L210-F232 HydrophobicContact CD1-CD1 4.17Å; L210-F232 HydrophobicContact CD1-CE1 4.13Å; L210-F232 HydrophobicContact CD1-CZ 4.41Å; S228-F232 PolarHBondContact O-N 3.43Å; F229-F232 AromaticContact CD2-CD1 3.82Å; F229-F232 HydrophobicContact CD2-CD1 3.82Å; F229-F232 HydrophobicContact CD2-CE1 4.32Å; F229-F232 AromaticContact CE2-CD1 3.79Å; F229-F232 HydrophobicContact CE2-CD1 3.79Å; F229-F232 AromaticContact CE2-CE1 3.84Å; F229-F232 HydrophobicContact CE2-CE1 3.84Å; F229-F232 HydrophobicContact CZ-CE1 4.48Å; F229-F232 WeakPolarHBondContact O-CB 3.42Å; F229-F232 PolarHBondContact O-N 3.42Å; F232-S234 PolarHBondContact O-N 2.73Å; F232-T235 PolarHBondContact O-N 3.39Å; F232-T235 PolarHBondContact O-OG1 3.15Å; F232-F236 AromaticContact CD2-CD2 3.93Å; F232-F236 HydrophobicContact CD2-CD2 3.93Å; F232-F236 HydrophobicContact CD2-CE2 4.12Å; F232-F236 AromaticContact CE2-CD2 3.47Å; F232-F236 HydrophobicContact CE2-CD2 3.47Å; F232-F236 VanDerWaalsContact CE2-CD2 3.47Å; F232-F236 AromaticContact CE2-CE2 3.4Å; F232-F236 HydrophobicContact CE2-CE2 3.4Å; F232-F236 HydrophobicContact CZ-CD2 4.05Å; F232-F236 HydrophobicContact CZ-CE2 4.11Å; F232-F236 PolarHBondContact O-N 2.63Å; F232-T247 HydrophobicContact CD2-CG2 3.81Å; F232-T247 HydrophobicContact CE2-CG2 4.23Å; F232-A250 HydrophobicContact CB-CB 4.32Å; F232-V251 HydrophobicContact CD2-CB 4.4Å; F232-V251 HydrophobicContact CD2-CG2 3.13Å; F232-V251 HydrophobicContact CE2-CG2 3.17Å; F232-V251 HydrophobicContact CG-CG2 4.11Å; F232-V251 HydrophobicContact CZ-CG2 4.24Å; F232-I254 HydrophobicContact CB-CD1 3.76Å; F232-I254 HydrophobicContact CG-CD1 4.31Å
233L65.4Low60Low46 Ų4680 Ų8024%0.24137%0.374CS..Hα-helixtrans-62.7-40.2-179.8-73-179.3000112.8F229 L230 K237F229-L233 HydrophobicContact CD1-CD1 3.9Å; F229-L233 HydrophobicContact CD1-CG 4.27Å; F229-L233 HydrophobicContact CE1-CD1 3.38Å; F229-L233 HydrophobicContact CE1-CD2 4.42Å; F229-L233 HydrophobicContact CE1-CG 3.87Å; F229-L233 HydrophobicContact CZ-CD1 3.94Å; F229-L233 HydrophobicContact CZ-CD2 4.15Å; F229-L233 HydrophobicContact CZ-CG 4.04Å; F229-L233 WeakPolarHBondContact O-CG 3.49Å; F229-L233 PolarHBondContact O-N 3.12Å; L230-L233 PolarHBondContact O-N 3.21Å; L233-K237 PolarHBondContact O-N 3.36Å
234S65Low59.8Low55 Ų5576.7 Ų76.739%0.38536%0.358SS..Hα-helixtrans-69.3-33.7179.759.10000112.7L230 R231 F232 K237L230-S234 VanDerWaalsContact O-CB 3.27Å; L230-S234 WeakPolarHBondContact O-CB 3.18Å; L230-S234 PolarHBondContact O-N 3.3Å; L230-S234 PolarHBondContact O-OG 3.4Å; R231-S234 WeakPolarHBondContact CA-OG 3.23Å; R231-S234 PolarHBondContact O-OG 2.59Å; F232-S234 PolarHBondContact O-N 2.73Å; S234-K237 PolarHBondContact O-N 3.1Å
235T60.7Low59.8Low18 Ų1873 Ų7311%0.1135%0.346CS..Hα-helixtrans-73.5-31.8177.653.30000112.5R231 F232 K237 K238 T247R231-T235 WeakPolarHBondContact O-CB 3.32Å; R231-T235 VanDerWaalsContact O-CG2 3.27Å; R231-T235 WeakPolarHBondContact O-CG2 3.41Å; R231-T235 PolarHBondContact O-N 2.79Å; R231-T235 PolarHBondContact O-OG1 3.02Å; F232-T235 PolarHBondContact O-N 3.39Å; F232-T235 PolarHBondContact O-OG1 3.15Å; T235-K237 VanDerWaalsContact C-N 3.26Å; T235-K237 PolarHBondContact O-N 2.97Å; T235-K238 PolarHBondContact O-N 3.03Å; T235-K238 VanDerWaalsContact O-N 3.11Å; T235-T247 WeakPolarHBondContact CB-OG1 3.48Å; T235-T247 WeakPolarHBondContact OG1-CA 3.23Å; T235-T247 WeakPolarHBondContact OG1-CB 3.27Å; T235-T247 VanDerWaalsContact OG1-CG2 3.31Å; T235-T247 WeakPolarHBondContact OG1-CG2 3.37Å; T235-T247 PolarHBondContact OG1-OG1 2.79Å
236F63.3Low59.9Low59 Ų5978.7 Ų78.726%0.25937%0.37SS..Hα-helixtrans-64.5-26.7170.6-104.5-75.4000113.7K203 F232 K238 T247K203-F236 HydrophobicContact CB-CD1 3.75Å; K203-F236 HydrophobicContact CB-CD2 4.16Å; K203-F236 HydrophobicContact CB-CE1 3.61Å; K203-F236 HydrophobicContact CB-CE2 4.07Å; K203-F236 HydrophobicContact CB-CG 4.03Å; K203-F236 HydrophobicContact CB-CZ 3.78Å; K203-F236 HydrophobicContact CD-CB 3.81Å; K203-F236 HydrophobicContact CD-CD1 3.87Å; K203-F236 HydrophobicContact CD-CD2 4.33Å; K203-F236 HydrophobicContact CD-CG 3.73Å; K203-F236 HydrophobicContact CG-CB 4.2Å; K203-F236 HydrophobicContact CG-CD1 3.87Å; K203-F236 HydrophobicContact CG-CD2 3.76Å; K203-F236 HydrophobicContact CG-CE1 4.19Å; K203-F236 HydrophobicContact CG-CE2 4.13Å; K203-F236 HydrophobicContact CG-CG 3.65Å; K203-F236 HydrophobicContact CG-CZ 4.32Å; F232-F236 AromaticContact CD2-CD2 3.93Å; F232-F236 HydrophobicContact CD2-CD2 3.93Å; F232-F236 HydrophobicContact CD2-CE2 4.12Å; F232-F236 AromaticContact CE2-CD2 3.47Å; F232-F236 HydrophobicContact CE2-CD2 3.47Å; F232-F236 VanDerWaalsContact CE2-CD2 3.47Å; F232-F236 AromaticContact CE2-CE2 3.4Å; F232-F236 HydrophobicContact CE2-CE2 3.4Å; F232-F236 HydrophobicContact CZ-CD2 4.05Å; F232-F236 HydrophobicContact CZ-CE2 4.11Å; F232-F236 PolarHBondContact O-N 2.63Å; F236-K238 VanDerWaalsContact C-N 3.27Å; F236-K238 PolarHBondContact O-N 3.26Å; F236-T247 HydrophobicContact CD2-CG2 3.2Å; F236-T247 HydrophobicContact CE2-CG2 3.29Å; F236-T247 HydrophobicContact CG-CG2 4.12Å; F236-T247 HydrophobicContact CZ-CG2 4.29Å
237K60.8Low59.8Low180 Ų18072 Ų7278%0.78335%0.345SS*.THydrogen-bonded Turntrans-72.9-18173.9-71.5-172.4176.7-173.30113L233 S234 T235L233-K237 PolarHBondContact O-N 3.36Å; S234-K237 PolarHBondContact O-N 3.1Å; T235-K237 VanDerWaalsContact C-N 3.26Å; T235-K237 PolarHBondContact O-N 2.97Å
238K55.9Low59.8Low111 Ų11168.5 Ų68.548%0.48333%0.327SS..  trans-89.4125.2-177.6-66-175.5179.4-172.70110.4T235 F236 S240 D243T235-K238 PolarHBondContact O-N 3.03Å; T235-K238 VanDerWaalsContact O-N 3.11Å; F236-K238 VanDerWaalsContact C-N 3.27Å; F236-K238 PolarHBondContact O-N 3.26Å; K238-S240 VanDerWaalsContact C-N 3.33Å; K238-S240 PolarHBondContact O-N 2.76Å; K238-D243 HydrophobicContact CB-CB 4.09Å; K238-D243 HydrophobicContact CD-CB 4.47Å; K238-D243 WeakPolarHBondContact CD-OD2 3.27Å
239K49.5Very low59.9Low205 Ų20569.6 Ų69.689%0.89133%0.334SS*.  trans-70.8-20.7-178.4-80.2-176.8176179.90114.3
240S55.7Low60Low59 Ų5969 Ų6941%0.41334%0.335SS..  trans-68.4133.4-173.2176.50000113.4K238 K242 D243 K244K238-S240 VanDerWaalsContact C-N 3.33Å; K238-S240 PolarHBondContact O-N 2.76Å; S240-K242 VanDerWaalsContact C-N 3.28Å; S240-K242 PolarHBondContact O-N 3.01Å; S240-D243 WeakPolarHBondContact O-CB 3.15Å; S240-D243 PolarHBondContact O-N 3.39Å; S240-K244 PolarHBondContact O-N 3.06Å
241T50.9Low59.9Low83 Ų8365.2 Ų65.251%0.50932%0.315SS..Hα-helixtrans-59.6-31.6178.223.30000113.7D243T241-D243 VanDerWaalsContact C-N 3.28Å; T241-D243 PolarHBondContact O-N 3.38Å
242K55.1Low60.1Low151 Ų15159 Ų5966%0.65729%0.291SS*.Hα-helixtrans-70.1-27.7176.3-163.4175.5-177.5177.50111.7S240S240-K242 VanDerWaalsContact C-N 3.28Å; S240-K242 PolarHBondContact O-N 3.01Å
243D56.3Low60.1Low34 Ų3459.8 Ų59.818%0.18230%0.298CS..Hα-helixtrans-81.3-34-178.8-71.2-28.3000112.5K238 S240 T241 A245 K246 T247K238-D243 HydrophobicContact CB-CB 4.09Å; K238-D243 HydrophobicContact CD-CB 4.47Å; K238-D243 WeakPolarHBondContact CD-OD2 3.27Å; S240-D243 WeakPolarHBondContact O-CB 3.15Å; S240-D243 PolarHBondContact O-N 3.39Å; T241-D243 VanDerWaalsContact C-N 3.28Å; T241-D243 PolarHBondContact O-N 3.38Å; D243-A245 VanDerWaalsContact C-N 3.29Å; D243-A245 PolarHBondContact O-N 2.65Å; D243-K246 WeakPolarHBondContact O-CB 3.25Å; D243-K246 PolarHBondContact O-N 3.49Å; D243-K246 VanDerWaalsContact O-N 3.09Å; D243-T247 PolarHBondContact O-N 2.83Å; D243-T247 VanDerWaalsContact O-N 3.17Å; D243-T247 PolarHBondContact O-OG1 3.04Å
244K56.8Low60Low53 Ų5357.6 Ų57.623%0.2329%0.286CS..Hα-helixtrans-61-32.6177.4-69.7-170.2177.4-175.30113.9M68 I70 S240 T247 V248M68-K244 PolarHBondContact SD-NZ 3.49Å; I70-K244 HydrophobicContact CD1-CB 3.91Å; S240-K244 PolarHBondContact O-N 3.06Å; K244-T247 WeakPolarHBondContact CA-OG1 2.81Å; K244-T247 WeakPolarHBondContact O-CA 3.03Å; K244-T247 WeakPolarHBondContact O-CB 3.5Å; K244-T247 PolarHBondContact O-N 3.33Å; K244-T247 VanDerWaalsContact O-N 3.08Å; K244-T247 PolarHBondContact O-OG1 2.76Å; K244-V248 PolarHBondContact O-N 2.7Å
245A57.7Low59.9Low7 Ų755 Ų556%0.05827%0.268CS..Hα-helixtrans-73.9-29.6176.700000113.2D243 T247 V248 S249D243-A245 VanDerWaalsContact C-N 3.29Å; D243-A245 PolarHBondContact O-N 2.65Å; A245-T247 PolarHBondContact O-N 3.33Å; A245-V248 PolarHBondContact O-N 3Å; A245-S249 PolarHBondContact O-N 2.96Å
246K60.9Low60Low127 Ų12754.2 Ų54.255%0.55226%0.263SS*.Hα-helixtrans-64.8-27.8167.4-64.9177.9178.8171.70110.6D243 A250D243-K246 WeakPolarHBondContact O-CB 3.25Å; D243-K246 PolarHBondContact O-N 3.49Å; D243-K246 VanDerWaalsContact O-N 3.09Å; K246-A250 VanDerWaalsContact O-CB 3.28Å; K246-A250 WeakPolarHBondContact O-CB 3.4Å; K246-A250 PolarHBondContact O-N 2.85Å
247T59.8Low60Low3 Ų351.7 Ų51.72%0.01825%0.252CS..Hα-helixtrans-63.7-46174.1-460000112.5F232 T235 F236 D243 K244 A245 A250 V251F232-T247 HydrophobicContact CD2-CG2 3.81Å; F232-T247 HydrophobicContact CE2-CG2 4.23Å; T235-T247 WeakPolarHBondContact CB-OG1 3.48Å; T235-T247 WeakPolarHBondContact OG1-CA 3.23Å; T235-T247 WeakPolarHBondContact OG1-CB 3.27Å; T235-T247 VanDerWaalsContact OG1-CG2 3.31Å; T235-T247 WeakPolarHBondContact OG1-CG2 3.37Å; T235-T247 PolarHBondContact OG1-OG1 2.79Å; F236-T247 HydrophobicContact CD2-CG2 3.2Å; F236-T247 HydrophobicContact CE2-CG2 3.29Å; F236-T247 HydrophobicContact CG-CG2 4.12Å; F236-T247 HydrophobicContact CZ-CG2 4.29Å; D243-T247 PolarHBondContact O-N 2.83Å; D243-T247 VanDerWaalsContact O-N 3.17Å; D243-T247 PolarHBondContact O-OG1 3.04Å; K244-T247 WeakPolarHBondContact CA-OG1 2.81Å; K244-T247 WeakPolarHBondContact O-CA 3.03Å; K244-T247 WeakPolarHBondContact O-CB 3.5Å; K244-T247 PolarHBondContact O-N 3.33Å; K244-T247 VanDerWaalsContact O-N 3.08Å; K244-T247 PolarHBondContact O-OG1 2.76Å; A245-T247 PolarHBondContact O-N 3.33Å; T247-A250 WeakPolarHBondContact O-CB 3.38Å; T247-A250 PolarHBondContact O-N 2.84Å; T247-V251 WeakPolarHBondContact O-CG2 3.37Å; T247-V251 PolarHBondContact O-N 2.95Å
248V62Low59.9Low2 Ų243.1 Ų43.11%0.01222%0.215CC..Hα-helixtrans-57.9-53.7177.7-179.20000110.5T64 I70 L201 K244 A245 A250 V251 F252T64-V248 HydrophobicContact CG2-CG1 3.36Å; I70-V248 HydrophobicContact CD1-CG2 3.72Å; I70-V248 HydrophobicContact CG2-CG2 3.71Å; L201-V248 HydrophobicContact CD2-CG2 4.01Å; K244-V248 PolarHBondContact O-N 2.7Å; A245-V248 PolarHBondContact O-N 3Å; V248-A250 PolarHBondContact O-N 3.33Å; V248-V251 WeakPolarHBondContact O-CB 3.36Å; V248-V251 PolarHBondContact O-N 2.9Å; V248-V251 VanDerWaalsContact O-N 3.08Å; V248-F252 HydrophobicContact CG1-CD2 3.68Å; V248-F252 HydrophobicContact CG1-CE2 3.68Å; V248-F252 VanDerWaalsContact O-CD2 3.25Å; V248-F252 WeakPolarHBondContact O-CD2 3.22Å; V248-F252 PolarHBondContact O-N 2.69Å
249S65Low60Low27 Ų2738 Ų3819%0.18919%0.193CC..Hα-helixtrans-62.7-32179-160.10000111.8E173 A245 A253E173-S249 VanDerWaalsContact OE1-CA 3.25Å; E173-S249 WeakPolarHBondContact OE1-CA 3.44Å; E173-S249 PolarHBondContact OE1-N 2.87Å; E173-S249 WeakPolarHBondContact OE2-CB 3.2Å; E173-S249 PolarHBondContact OE2-OG 3.21Å; A245-S249 PolarHBondContact O-N 2.96Å; S249-A253 WeakPolarHBondContact O-CB 3.18Å; S249-A253 PolarHBondContact O-N 3.21Å
250A65.4Low60.5Low16 Ų1629.4 Ų29.413%0.13216%0.161CC..Hα-helixtrans-67.8-43.5172.800000113F232 K246 T247 V248 A253 I254F232-A250 HydrophobicContact CB-CB 4.32Å; K246-A250 VanDerWaalsContact O-CB 3.28Å; K246-A250 WeakPolarHBondContact O-CB 3.4Å; K246-A250 PolarHBondContact O-N 2.85Å; T247-A250 WeakPolarHBondContact O-CB 3.38Å; T247-A250 PolarHBondContact O-N 2.84Å; V248-A250 PolarHBondContact O-N 3.33Å; A250-A253 PolarHBondContact O-N 3.22Å; A250-I254 WeakPolarHBondContact O-CD1 3.13Å; A250-I254 VanDerWaalsContact O-CG1 3.23Å; A250-I254 WeakPolarHBondContact O-CG1 3.23Å; A250-I254 PolarHBondContact O-N 3.21Å
251V64.9Low60.5Low0 Ų028.1 Ų28.10%015%0.15CC..Hα-helixtrans-54.2-54.7174167.30000110.1M206 L210 F232 T247 V248 I254 L255M206-V251 HydrophobicContact CE-CG1 3.32Å; L210-V251 HydrophobicContact CD1-CG1 4.44Å; F232-V251 HydrophobicContact CD2-CB 4.4Å; F232-V251 HydrophobicContact CD2-CG2 3.13Å; F232-V251 HydrophobicContact CE2-CG2 3.17Å; F232-V251 HydrophobicContact CG-CG2 4.11Å; F232-V251 HydrophobicContact CZ-CG2 4.24Å; T247-V251 WeakPolarHBondContact O-CG2 3.37Å; T247-V251 PolarHBondContact O-N 2.95Å; V248-V251 WeakPolarHBondContact O-CB 3.36Å; V248-V251 PolarHBondContact O-N 2.9Å; V248-V251 VanDerWaalsContact O-N 3.08Å; V251-I254 WeakPolarHBondContact O-CB 3.32Å; V251-I254 PolarHBondContact O-N 2.68Å; V251-L255 PolarHBondContact O-N 2.92Å
252F65.8Low60.2Low4 Ų424.6 Ų24.62%0.01813%0.128CC..Hα-helixtrans-73-31.8-174.1-73.4-66.8000112I62 T64 Y72 V248 I254 L255 I256I62-F252 HydrophobicContact CB-CD1 4.42Å; I62-F252 HydrophobicContact CD1-CB 3.86Å; I62-F252 HydrophobicContact CD1-CD1 3.59Å; I62-F252 HydrophobicContact CD1-CE1 4.36Å; I62-F252 HydrophobicContact CD1-CG 3.86Å; I62-F252 HydrophobicContact CG1-CD1 3.98Å; I62-F252 HydrophobicContact CG1-CE1 4.27Å; I62-F252 HydrophobicContact CG1-CG 4.48Å; I62-F252 HydrophobicContact CG2-CD1 3.61Å; I62-F252 HydrophobicContact CG2-CD2 3.59Å; I62-F252 HydrophobicContact CG2-CE1 3.52Å; I62-F252 HydrophobicContact CG2-CE2 3.51Å; I62-F252 HydrophobicContact CG2-CG 3.66Å; I62-F252 HydrophobicContact CG2-CZ 3.47Å; I62-F252 VanDerWaalsContact CG2-CZ 3.47Å; T64-F252 HydrophobicContact CG2-CE2 3.72Å; T64-F252 HydrophobicContact CG2-CZ 4.39Å; Y72-F252 HydrophobicContact CD2-CZ 4.38Å; Y72-F252 HydrophobicContact CG-CZ 4.26Å; V248-F252 HydrophobicContact CG1-CD2 3.68Å; V248-F252 HydrophobicContact CG1-CE2 3.68Å; V248-F252 VanDerWaalsContact O-CD2 3.25Å; V248-F252 WeakPolarHBondContact O-CD2 3.22Å; V248-F252 PolarHBondContact O-N 2.69Å; F252-I254 VanDerWaalsContact C-N 3.32Å; F252-I254 PolarHBondContact O-N 2.82Å; F252-L255 HydrophobicContact CD1-CD2 4.2Å; F252-L255 WeakPolarHBondContact O-CB 3.46Å; F252-L255 PolarHBondContact O-N 3.39Å; F252-I256 WeakPolarHBondContact O-CB 3.47Å; F252-I256 WeakPolarHBondContact O-CD1 3.49Å; F252-I256 WeakPolarHBondContact O-CG1 3.3Å; F252-I256 PolarHBondContact O-N 3.31Å
253A65.3Low59.6Low16 Ų1618 Ų1813%0.13210%0.101CC..Hα-helixtrans-61.3-38.9169.600000112.2S249 A250 T257S249-A253 WeakPolarHBondContact O-CB 3.18Å; S249-A253 PolarHBondContact O-N 3.21Å; A250-A253 PolarHBondContact O-N 3.22Å; A253-T257 WeakPolarHBondContact O-CB 3.39Å; A253-T257 PolarHBondContact O-N 2.96Å; A253-T257 PolarHBondContact O-OG1 3.31Å
254I62.8Low58.5Low0 Ų018.8 Ų18.80%011%0.11CC..Hα-helixtrans-61.2-50.1172.1-60.2153.5000109.2L210 T214 I225 S228 F229 F232 A250 V251 F252 I256 T257 V258L210-I254 HydrophobicContact CD1-CD1 3.82Å; L210-I254 HydrophobicContact CD2-CB 4.04Å; L210-I254 HydrophobicContact CD2-CG2 3.83Å; T214-I254 HydrophobicContact CG2-CG2 4.15Å; I225-I254 HydrophobicContact CG2-CG2 4.08Å; S228-I254 WeakPolarHBondContact O-CD1 3.28Å; F229-I254 VanDerWaalsContact CA-CD1 3.45Å; F229-I254 HydrophobicContact CB-CD1 4.04Å; F229-I254 HydrophobicContact CD2-CD1 4.21Å; F232-I254 HydrophobicContact CB-CD1 3.76Å; F232-I254 HydrophobicContact CG-CD1 4.31Å; A250-I254 WeakPolarHBondContact O-CD1 3.13Å; A250-I254 VanDerWaalsContact O-CG1 3.23Å; A250-I254 WeakPolarHBondContact O-CG1 3.23Å; A250-I254 PolarHBondContact O-N 3.21Å; V251-I254 WeakPolarHBondContact O-CB 3.32Å; V251-I254 PolarHBondContact O-N 2.68Å; F252-I254 VanDerWaalsContact C-N 3.32Å; F252-I254 PolarHBondContact O-N 2.82Å; I254-I256 VanDerWaalsContact C-N 3.3Å; I254-I256 PolarHBondContact O-N 2.98Å; I254-T257 WeakPolarHBondContact O-CB 3.47Å; I254-T257 PolarHBondContact O-N 3.35Å; I254-T257 VanDerWaalsContact O-N 3.17Å; I254-V258 HydrophobicContact CG2-CG2 4.03Å; I254-V258 WeakPolarHBondContact O-CG2 3.5Å; I254-V258 PolarHBondContact O-N 3.2Å
255L62Low57.1Low0 Ų019.1 Ų19.10%012%0.116CC..Hα-helixtrans-56.6-46.8-177.6-174.165.3000111.4Y85 L86 M88 V251 F252 T257 V258 I259Y85-L255 HydrophobicContact CD1-CD1 4.34Å; L86-L255 HydrophobicContact CB-CD2 3.76Å; L86-L255 HydrophobicContact CD1-CB 4.36Å; L86-L255 HydrophobicContact CD1-CD1 3.69Å; L86-L255 HydrophobicContact CD1-CD2 3.63Å; L86-L255 HydrophobicContact CD1-CG 4.04Å; L86-L255 HydrophobicContact CG-CD1 4.34Å; L86-L255 HydrophobicContact CG-CD2 4.22Å; M88-L255 HydrophobicContact CG-CD2 3.94Å; M88-L255 HydrophobicContact SD-CD2 3.74Å; V251-L255 PolarHBondContact O-N 2.92Å; F252-L255 HydrophobicContact CD1-CD2 4.2Å; F252-L255 WeakPolarHBondContact O-CB 3.46Å; F252-L255 PolarHBondContact O-N 3.39Å; L255-T257 PolarHBondContact O-N 3.17Å; L255-V258 CarbonylContact O-C 3.6Å; L255-V258 WeakPolarHBondContact O-CA 3.39Å; L255-V258 WeakPolarHBondContact O-CB 3.4Å; L255-V258 PolarHBondContact O-N 3.14Å; L255-V258 VanDerWaalsContact O-N 3.15Å; L255-I259 HydrophobicContact CD1-CD1 4.28Å; L255-I259 HydrophobicContact CD1-CG1 4.49Å; L255-I259 HydrophobicContact CD2-CD1 4.21Å; L255-I259 HydrophobicContact CG-CD1 3.69Å; L255-I259 HydrophobicContact CG-CG1 4.36Å; L255-I259 WeakPolarHBondContact O-CD1 3.48Å; L255-I259 WeakPolarHBondContact O-CG1 3.34Å; L255-I259 PolarHBondContact O-N 2.67Å
256I63.8Low55.8Low1 Ų124.3 Ų24.31%0.00515%0.147CC..Hα-helixtrans-64.1-43.8178.9-68.1165.4000111.4I62 V136 Y152 I171 F252 I254 V258 I259 A260I62-I256 HydrophobicContact CD1-CD1 4.28Å; V136-I256 HydrophobicContact CB-CD1 3.34Å; V136-I256 HydrophobicContact CG1-CD1 3.1Å; V136-I256 HydrophobicContact CG2-CD1 3.93Å; Y152-I256 HydrophobicContact CD2-CG2 3.99Å; Y152-I256 HydrophobicContact CG-CG2 3.93Å; I171-I256 HydrophobicContact CB-CD1 4.34Å; I171-I256 HydrophobicContact CD1-CB 4.26Å; I171-I256 HydrophobicContact CD1-CD1 4.05Å; I171-I256 HydrophobicContact CD1-CG1 3.68Å; I171-I256 HydrophobicContact CD1-CG2 3.73Å; I171-I256 HydrophobicContact CG2-CD1 3.75Å; I171-I256 HydrophobicContact CG2-CG1 4.27Å; F252-I256 WeakPolarHBondContact O-CB 3.47Å; F252-I256 WeakPolarHBondContact O-CD1 3.49Å; F252-I256 WeakPolarHBondContact O-CG1 3.3Å; F252-I256 PolarHBondContact O-N 3.31Å; I254-I256 VanDerWaalsContact C-N 3.3Å; I254-I256 PolarHBondContact O-N 2.98Å; I256-V258 PolarHBondContact O-N 3.29Å; I256-I259 PolarHBondContact O-N 2.85Å; I256-A260 WeakPolarHBondContact O-CB 3.45Å; I256-A260 PolarHBondContact O-N 3.09Å
257T63.1Low54.3Low6 Ų621.6 Ų21.64%0.03714%0.144CC..Hα-helixtrans-55.1-46.5174.5-640000108.7A139 F221 I225 A253 I254 L255 T261A139-T257 HydrophobicContact CB-CG2 4.46Å; F221-T257 HydrophobicContact CE1-CG2 3.59Å; F221-T257 VanDerWaalsContact CE1-O 3.27Å; F221-T257 WeakPolarHBondContact CE1-O 3.46Å; F221-T257 HydrophobicContact CE2-CG2 3.87Å; F221-T257 HydrophobicContact CZ-CG2 3.03Å; F221-T257 WeakPolarHBondContact CZ-O 3.44Å; I225-T257 HydrophobicContact CG1-CG2 4.33Å; A253-T257 WeakPolarHBondContact O-CB 3.39Å; A253-T257 PolarHBondContact O-N 2.96Å; A253-T257 PolarHBondContact O-OG1 3.31Å; I254-T257 WeakPolarHBondContact O-CB 3.47Å; I254-T257 PolarHBondContact O-N 3.35Å; I254-T257 VanDerWaalsContact O-N 3.17Å; L255-T257 PolarHBondContact O-N 3.17Å; T257-T261 WeakPolarHBondContact O-CG2 3.45Å; T257-T261 PolarHBondContact O-N 2.8Å; T257-T261 PolarHBondContact O-OG1 3.1Å
258V59.1Low52.7Low0 Ų028.5 Ų28.50%018%0.18CC..Hα-helixtrans-65.5-47.2177.3-179.30000112.2V213 T214 T217 I225 I254 L255 I256 A260 T261 V262V213-V258 HydrophobicContact CB-CG1 4.06Å; V213-V258 HydrophobicContact CG1-CB 4.32Å; V213-V258 HydrophobicContact CG1-CG1 3.25Å; T214-V258 HydrophobicContact CG2-CG2 3.39Å; T217-V258 HydrophobicContact CG2-CG1 3.98Å; T217-V258 HydrophobicContact CG2-CG2 4.46Å; I225-V258 HydrophobicContact CD1-CG2 3.63Å; I225-V258 HydrophobicContact CG1-CG2 3.81Å; I254-V258 HydrophobicContact CG2-CG2 4.03Å; I254-V258 WeakPolarHBondContact O-CG2 3.5Å; I254-V258 PolarHBondContact O-N 3.2Å; L255-V258 CarbonylContact O-C 3.6Å; L255-V258 WeakPolarHBondContact O-CA 3.39Å; L255-V258 WeakPolarHBondContact O-CB 3.4Å; L255-V258 PolarHBondContact O-N 3.14Å; L255-V258 VanDerWaalsContact O-N 3.15Å; I256-V258 PolarHBondContact O-N 3.29Å; V258-A260 PolarHBondContact O-N 3.31Å; V258-T261 PolarHBondContact O-N 3.28Å; V258-T261 VanDerWaalsContact O-N 3.13Å; V258-T261 PolarHBondContact O-OG1 3.31Å; V258-T261 VanDerWaalsContact O-OG1 3.05Å; V258-V262 HydrophobicContact CB-CG2 4.41Å; V258-V262 HydrophobicContact CG1-CB 4.3Å; V258-V262 HydrophobicContact CG1-CG2 3.33Å; V258-V262 VanDerWaalsContact O-CB 3.32Å; V258-V262 WeakPolarHBondContact O-CB 3.11Å; V258-V262 VanDerWaalsContact O-CG2 3.26Å; V258-V262 WeakPolarHBondContact O-CG2 3.5Å; V258-V262 PolarHBondContact O-N 2.82Å
259I58.2Low51.1Low4 Ų434.7 Ų34.72%0.02124%0.244CC..Hα-helixtrans-65.7-41.9-178.9-60.4151.7000111.7Y85 M88 M156 L255 I256 T261Y85-I259 HydrophobicContact CD1-CD1 4.4Å; Y85-I259 HydrophobicContact CD1-CG1 3.49Å; Y85-I259 VanDerWaalsContact CD1-CG1 3.49Å; Y85-I259 HydrophobicContact CD2-CD1 4.39Å; Y85-I259 HydrophobicContact CD2-CG1 3.77Å; Y85-I259 HydrophobicContact CD2-CG2 4.24Å; Y85-I259 HydrophobicContact CE1-CG1 3.9Å; Y85-I259 HydrophobicContact CE2-CG1 4.16Å; Y85-I259 HydrophobicContact CE2-CG2 4.11Å; Y85-I259 HydrophobicContact CG-CD1 3.99Å; Y85-I259 HydrophobicContact CG-CG1 3.43Å; Y85-I259 VanDerWaalsContact CG-CG1 3.43Å; M88-I259 HydrophobicContact CE-CD1 3.24Å; M88-I259 HydrophobicContact CE-CG1 4.37Å; M88-I259 HydrophobicContact SD-CD1 3.49Å; M88-I259 WeakPolarHBondContact SD-CD1 3.42Å; M156-I259 HydrophobicContact CE-CB 4.32Å; M156-I259 HydrophobicContact CE-CG2 3.2Å; M156-I259 HydrophobicContact SD-CG2 4.17Å; L255-I259 HydrophobicContact CD1-CD1 4.28Å; L255-I259 HydrophobicContact CD1-CG1 4.49Å; L255-I259 HydrophobicContact CD2-CD1 4.21Å; L255-I259 HydrophobicContact CG-CD1 3.69Å; L255-I259 HydrophobicContact CG-CG1 4.36Å; L255-I259 WeakPolarHBondContact O-CD1 3.48Å; L255-I259 WeakPolarHBondContact O-CG1 3.34Å; L255-I259 PolarHBondContact O-N 2.67Å; I256-I259 PolarHBondContact O-N 2.85Å; I259-T261 PolarHBondContact O-N 2.97Å
260A59.1Low50.4Low25 Ų2535.1 Ų35.121%0.20725%0.246CC..Hα-helixtrans-63.3-9.1177.900000113.2Y152 I256 V258Y152-A260 HydrophobicContact CD2-CB 4.41Å; Y152-A260 HydrophobicContact CE2-CB 3.44Å; Y152-A260 VanDerWaalsContact CE2-CB 3.44Å; I256-A260 WeakPolarHBondContact O-CB 3.45Å; I256-A260 PolarHBondContact O-N 3.09Å; V258-A260 PolarHBondContact O-N 3.31Å
261T55.4Low49.6Very low31 Ų3136.1 Ų36.119%0.1925%0.252CS..Hα-helixtrans-131.8-31.5-172.756.50000115.8F221 T257 V258 I259 S263 S264F221-T261 HydrophobicContact CD1-CG2 4.29Å; F221-T261 VanDerWaalsContact CD1-OG1 3.25Å; F221-T261 WeakPolarHBondContact CD1-OG1 3.3Å; F221-T261 HydrophobicContact CD2-CG2 3.79Å; F221-T261 HydrophobicContact CE1-CG2 3.82Å; F221-T261 WeakPolarHBondContact CE1-OG1 3.46Å; F221-T261 HydrophobicContact CE2-CG2 3.26Å; F221-T261 HydrophobicContact CG-CG2 4.25Å; F221-T261 HydrophobicContact CZ-CG2 3.21Å; F221-T261 WeakPolarHBondContact CZ-OG1 3.38Å; T257-T261 WeakPolarHBondContact O-CG2 3.45Å; T257-T261 PolarHBondContact O-N 2.8Å; T257-T261 PolarHBondContact O-OG1 3.1Å; V258-T261 PolarHBondContact O-N 3.28Å; V258-T261 VanDerWaalsContact O-N 3.13Å; V258-T261 PolarHBondContact O-OG1 3.31Å; V258-T261 VanDerWaalsContact O-OG1 3.05Å; I259-T261 PolarHBondContact O-N 2.97Å; T261-S263 PolarHBondContact O-N 2.91Å; T261-S264 VanDerWaalsContact O-CB 3.23Å; T261-S264 WeakPolarHBondContact O-CB 3.49Å; T261-S264 PolarHBondContact O-N 3.17Å; T261-S264 PolarHBondContact O-OG 3.29Å
262V46.3Very low48.7Very low9 Ų938.1 Ų38.16%0.05527%0.266CS..Hα-helixtrans-64.5-35-169.9164.30000113.4R216 T217 V258 S264R216-V262 HydrophobicContact CB-CG1 3.61Å; R216-V262 HydrophobicContact CB-CG2 4.44Å; T217-V262 HydrophobicContact CG2-CB 4.5Å; T217-V262 HydrophobicContact CG2-CG2 3.05Å; V258-V262 HydrophobicContact CB-CG2 4.41Å; V258-V262 HydrophobicContact CG1-CB 4.3Å; V258-V262 HydrophobicContact CG1-CG2 3.33Å; V258-V262 VanDerWaalsContact O-CB 3.32Å; V258-V262 WeakPolarHBondContact O-CB 3.11Å; V258-V262 VanDerWaalsContact O-CG2 3.26Å; V258-V262 WeakPolarHBondContact O-CG2 3.5Å; V258-V262 PolarHBondContact O-N 2.82Å; V262-S264 PolarHBondContact O-N 2.98Å
263S42.4Very low47.7Very low13 Ų1340.1 Ų40.19%0.09128%0.281CS..G310 helixtrans-84.20.1179.1-33.80000113.4V157 T261 V265 V266V157-S263 VanDerWaalsContact CB-CB 3.46Å; V157-S263 VanDerWaalsContact CG1-CB 3.42Å; V157-S263 VanDerWaalsContact CG1-O 3.27Å; V157-S263 WeakPolarHBondContact CG1-O 3.5Å; T261-S263 PolarHBondContact O-N 2.91Å; S263-V265 PolarHBondContact O-N 2.79Å; S263-V265 VanDerWaalsContact O-N 3.14Å; S263-V266 PolarHBondContact O-N 2.79Å
264S31.8Very low46.6Very low51 Ų5141.6 Ų41.636%0.35729%0.29SS..G310 helixtrans-58.9-26.2170.5-390000110.9T261 V262T261-S264 VanDerWaalsContact O-CB 3.23Å; T261-S264 WeakPolarHBondContact O-CB 3.49Å; T261-S264 PolarHBondContact O-N 3.17Å; T261-S264 PolarHBondContact O-OG 3.29Å; V262-S264 PolarHBondContact O-N 2.98Å
265V28.5Very low45.5Very low60 Ų6044.3 Ų44.336%0.36431%0.31SS..G310 helixtrans-79.3-25.2-176.6-167.90000112.3E218 S263 S267E218-V265 HydrophobicContact CG-CG2 3.73Å; S263-V265 PolarHBondContact O-N 2.79Å; S263-V265 VanDerWaalsContact O-N 3.14Å; V265-S267 VanDerWaalsContact C-N 3.33Å
266V29.8Very low44.4Very low116 Ų11647.5 Ų47.570%0.70333%0.332SS*.G310 helixtrans-81-17.5179.4-173.80000111.4S263S263-V266 PolarHBondContact O-N 2.79Å
267S29.1Very low42.9Very low70 Ų7051.1 Ų51.149%0.4936%0.357SS..G310 helixtrans-91.48.9179.8-52.80000114.9V265V265-S267 VanDerWaalsContact C-N 3.33Å
268L27.8Very low41.2Very low148 Ų14854.8 Ų54.878%0.77538%0.383SS*.G310 helixtrans-116.910179.1-85.4163.4000114.3
269G26.9Very low39.6Very low131 Ų13159.8 Ų59.8100%1.35142%0.418SS*.  trans-114.70168.300000110.5

Retrieved 269 of 269 residues in 314.1 ms (Link to these results)

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