A0A087YFR5_POEFO Loading...

Peptidoglycan recognition protein 5

AlphaFold DB , UniProt , Accession A0A087YFR5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 167 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
1M39.9Very low79.5Confident223 Ų223104.1 Ų104.1100%1.09953%0.527SS*.  0111.40-68.3-179.8-61.200105.8Q3M1-Q3 PolarHBondContact O-N 3.23Å; M1-Q3 VanDerWaalsContact O-N 3.12Å
2E47.8Very low81Confident190 Ų190106.4 Ų106.489%0.88854%0.535SS*.  trans-57.8115.4169-79.4172.2158.200107.3T4E2-T4 PolarHBondContact O-N 3.29Å; E2-T4 VanDerWaalsContact O-N 3.08Å
3Q53.7Low82.4Confident127 Ų12798.5 Ų98.559%0.59350%0.495SS*.  trans-73.696.9172.9-75.2-92.6-3.900106.6M1 V5M1-Q3 PolarHBondContact O-N 3.23Å; M1-Q3 VanDerWaalsContact O-N 3.12Å; Q3-V5 PolarHBondContact O-N 3Å
4T65.1Low83.5Confident121 Ų12195 Ų9574%0.74250%0.496SS*.  trans-71.9112.5176-12.90000108.7E2 N6E2-T4 PolarHBondContact O-N 3.29Å; E2-T4 VanDerWaalsContact O-N 3.08Å; T4-N6 PolarHBondContact O-N 3.28Å
5V85.7Confident84.5Confident20 Ų2090.3 Ų90.312%0.12148%0.477CS..  trans-78117.9174.6-1770000108Q3 I7 L79 Q123 L124Q3-V5 PolarHBondContact O-N 3Å; V5-I7 HydrophobicContact CG1-CD1 4.39Å; V5-I7 HydrophobicContact CG1-CG1 3.91Å; V5-I7 PolarHBondContact O-N 3.27Å; V5-L79 HydrophobicContact CG1-CD1 3.26Å; V5-Q123 HydrophobicContact CG2-CB 3.96Å; V5-Q123 WeakPolarHBondContact CG2-O 3.2Å; V5-L124 HydrophobicContact CG1-CB 4.39Å; V5-L124 HydrophobicContact CG1-CD1 4.08Å
6N91.7Very high85.4Confident143 Ų14387.7 Ų87.777%0.76547%0.472SS*.  trans-79.4113.5175.5-70.4-25.9000109.3T4T4-N6 PolarHBondContact O-N 3.28Å
7I97.4Very high86.1Confident48 Ų4887.4 Ų87.425%0.24648%0.484CS..EExtended strand (participates in β ladder)trans-115.1125.8178.8-54.8172.7000107.8V5 S9 F71 L79 E81 L124V5-I7 HydrophobicContact CG1-CD1 4.39Å; V5-I7 HydrophobicContact CG1-CG1 3.91Å; V5-I7 PolarHBondContact O-N 3.27Å; I7-S9 PolarHBondContact O-N 3.23Å; I7-S9 VanDerWaalsContact O-N 3.13Å; I7-F71 HydrophobicContact CD1-CE1 3.96Å; I7-F71 HydrophobicContact CG2-CD1 4.37Å; I7-F71 HydrophobicContact CG2-CE1 4.29Å; I7-L79 HydrophobicContact CG1-CB 4.35Å; I7-E81 HydrophobicContact CG2-CB 3.84Å; I7-L124 HydrophobicContact CD1-CD1 3.6Å; I7-L124 HydrophobicContact CG1-CD1 4.25Å
8V98.1Very high86.8Confident22 Ų2285.2 Ų85.213%0.13348%0.475CS..EExtended strand (participates in β ladder)trans-66.4108.3169.1-174.90000107.5Q12 W13 L44 L79 F80 E81V8-Q12 HydrophobicContact CG1-CB 3.7Å; V8-W13 HydrophobicContact CG1-CB 4.08Å; V8-L44 HydrophobicContact CG1-CD1 4.1Å; V8-L44 HydrophobicContact CG2-CD1 3.66Å; V8-L79 WeakPolarHBondContact CB-O 3.48Å; V8-L79 WeakPolarHBondContact CG2-O 3.47Å; V8-L79 PolarHBondContact N-O 3.34Å; V8-F80 HydrophobicContact CB-CD1 3.73Å; V8-F80 HydrophobicContact CB-CE1 3.94Å; V8-F80 HydrophobicContact CB-CG 4.19Å; V8-F80 HydrophobicContact CG1-CD1 3.82Å; V8-F80 HydrophobicContact CG1-CE1 3.79Å; V8-F80 HydrophobicContact CG2-CD1 4.29Å; V8-F80 HydrophobicContact CG2-CE1 4.11Å; V8-F80 HydrophobicContact CG2-CZ 4.26Å; V8-E81 PolarHBondContact O-N 3.17Å
9S98.4Very high87.4Confident34 Ų3486.7 Ų86.724%0.23848%0.476CS..  trans-69.3160.3-175.777.10000111.8I7 Q11 Q12 W13I7-S9 PolarHBondContact O-N 3.23Å; I7-S9 VanDerWaalsContact O-N 3.13Å; S9-Q11 PolarHBondContact O-N 3.39Å; S9-Q11 VanDerWaalsContact O-N 3.13Å; S9-Q11 PolarHBondContact OG-N 2.88Å; S9-Q12 WeakPolarHBondContact O-CB 3.44Å; S9-Q12 PolarHBondContact O-N 2.87Å; S9-Q12 WeakPolarHBondContact OG-CG 3.28Å; S9-Q12 PolarHBondContact OG-N 3.35Å; S9-Q12 PolarHBondContact OG-OE1 2.82Å; S9-W13 VanDerWaalsContact C-CD1 3.5Å; S9-W13 PolarHBondContact O-N 2.59Å; S9-W13 VanDerWaalsContact O-N 3.16Å
10R98.4Very high87.8Confident41 Ų4188.4 Ų88.416%0.15548%0.48CS..THydrogen-bonded Turntrans-48.9-39.2172.7-71-176.971.388-3.2113.9W13 G14 A15 A16 D66 E81 G82R10-W13 VanDerWaalsContact CA-NE1 3.34Å; R10-W13 HydrophobicContact CG-CZ2 4.07Å; R10-G14 PolarHBondContact O-N 3.24Å; R10-A15 HydrophobicContact CB-CB 3.71Å; R10-A15 HydrophobicContact CG-CB 4.16Å; R10-A15 VanDerWaalsContact O-CB 3.23Å; R10-A15 WeakPolarHBondContact O-CB 3.49Å; R10-A15 PolarHBondContact O-N 2.88Å; R10-A16 PolarHBondContact NH2-O 2.9Å; R10-D66 IonicContact CZ-OD1 2.98Å; R10-D66 IonicContact CZ-OD2 3.04Å; R10-D66 IonicContact NH1-OD1 2.72Å; R10-D66 PolarHBondContact NH1-OD1 2.88Å; R10-D66 IonicContact NH1-OD2 3.7Å; R10-D66 PolarHBondContact NH1-OD2 3.01Å; R10-D66 VanDerWaalsContact NH2-CG 3.31Å; R10-D66 IonicContact NH2-OD1 3.43Å; R10-D66 PolarHBondContact NH2-OD1 2.78Å; R10-D66 IonicContact NH2-OD2 2.65Å; R10-D66 PolarHBondContact NH2-OD2 3.37Å; R10-E81 HydrophobicContact CG-CB 4.28Å; R10-E81 HydrophobicContact CG-CG 3.99Å; R10-E81 PolarHBondContact N-OE2 2.8Å; R10-G82 WeakPolarHBondContact CD-O 3.42Å; R10-G82 PolarHBondContact NH1-O 2.83Å
11Q98.2Very high88.3Confident176 Ų17690.8 Ų90.882%0.82249%0.486SS*.THydrogen-bonded Turntrans-67.5-40.3177.3-173.5-179.628.700111.9S9 G14S9-Q11 PolarHBondContact O-N 3.39Å; S9-Q11 VanDerWaalsContact O-N 3.13Å; S9-Q11 PolarHBondContact OG-N 2.88Å; Q11-G14 PolarHBondContact O-N 3.2Å
12Q98.1Very high91Very high132 Ų13284.3 Ų84.362%0.61746%0.456SS*.THydrogen-bonded Turntrans-68.5-37.8-176.2-72173.5-5300112.8V8 S9V8-Q12 HydrophobicContact CG1-CB 3.7Å; S9-Q12 WeakPolarHBondContact O-CB 3.44Å; S9-Q12 PolarHBondContact O-N 2.87Å; S9-Q12 WeakPolarHBondContact OG-CG 3.28Å; S9-Q12 PolarHBondContact OG-N 3.35Å; S9-Q12 PolarHBondContact OG-OE1 2.82Å
13W98.2Very high93.4Very high3 Ų379.3 Ų79.31%0.01144%0.442CS..THydrogen-bonded Turntrans-89.70.8176.764.5-104.3000113.8V8 S9 R10 A15 T48 V51 L52 Q55 F80 E81V8-W13 HydrophobicContact CG1-CB 4.08Å; S9-W13 VanDerWaalsContact C-CD1 3.5Å; S9-W13 PolarHBondContact O-N 2.59Å; S9-W13 VanDerWaalsContact O-N 3.16Å; R10-W13 VanDerWaalsContact CA-NE1 3.34Å; R10-W13 HydrophobicContact CG-CZ2 4.07Å; W13-A15 HydrophobicContact CD2-CB 4Å; W13-A15 HydrophobicContact CE3-CB 3.86Å; W13-A15 HydrophobicContact CH2-CB 3.15Å; W13-A15 HydrophobicContact CZ2-CB 3.29Å; W13-A15 HydrophobicContact CZ3-CB 3.46Å; W13-A15 VanDerWaalsContact CZ3-CB 3.46Å; W13-T48 HydrophobicContact CB-CG2 3.94Å; W13-V51 HydrophobicContact CD2-CG1 3.86Å; W13-V51 HydrophobicContact CE3-CG1 3.83Å; W13-V51 HydrophobicContact CG-CG1 4.46Å; W13-V51 HydrophobicContact CH2-CG1 4.04Å; W13-V51 HydrophobicContact CZ2-CG1 4.05Å; W13-V51 HydrophobicContact CZ3-CG1 3.92Å; W13-L52 HydrophobicContact CE3-CD2 3.86Å; W13-L52 HydrophobicContact CE3-CG 4.14Å; W13-L52 HydrophobicContact CZ3-CD2 3.97Å; W13-L52 WeakPolarHBondContact O-CD2 3.26Å; W13-Q55 HydrophobicContact CH2-CB 4.23Å; W13-Q55 HydrophobicContact CH2-CG 4.33Å; W13-Q55 HydrophobicContact CZ3-CB 4.28Å; W13-F80 HydrophobicContact CB-CD1 4.05Å; W13-F80 HydrophobicContact CB-CE1 4.19Å; W13-F80 AromaticContact CD1-CD1 3.95Å; W13-F80 HydrophobicContact CG-CD1 4.16Å; W13-E81 WeakPolarHBondContact CZ2-O 3.42Å; W13-E81 PolarHBondContact NE1-O 3Å
14G98.3Very high95.4Very high50 Ų5074.1 Ų74.152%0.51542%0.418SS..THydrogen-bonded Turntrans78.834.9173.700000114.5R10 Q11 L52R10-G14 PolarHBondContact O-N 3.24Å; Q11-G14 PolarHBondContact O-N 3.2Å; G14-L52 WeakPolarHBondContact O-CD2 3.35Å
15A98.4Very high96.7Very high25 Ų2578.2 Ų78.221%0.20743%0.429CS..PPolyproline II helixtrans-56.6137.7-17900000113.5R10 W13R10-A15 HydrophobicContact CB-CB 3.71Å; R10-A15 HydrophobicContact CG-CB 4.16Å; R10-A15 VanDerWaalsContact O-CB 3.23Å; R10-A15 WeakPolarHBondContact O-CB 3.49Å; R10-A15 PolarHBondContact O-N 2.88Å; W13-A15 HydrophobicContact CD2-CB 4Å; W13-A15 HydrophobicContact CE3-CB 3.86Å; W13-A15 HydrophobicContact CH2-CB 3.15Å; W13-A15 HydrophobicContact CZ2-CB 3.29Å; W13-A15 HydrophobicContact CZ3-CB 3.46Å; W13-A15 VanDerWaalsContact CZ3-CB 3.46Å
16A98.3Very high97.2Very high48 Ų4879.1 Ų79.140%0.39744%0.442SS..PPolyproline II helixtrans-62.5151.6160.400000110.4R10 Q55 M59R10-A16 PolarHBondContact NH2-O 2.9Å; A16-Q55 PolarHBondContact O-NE2 3.44Å; A16-Q55 VanDerWaalsContact O-NE2 3.14Å; A16-M59 HydrophobicContact CB-SD 4.33Å
17A97.9Very high97.5Very high83 Ų8374.5 Ų74.569%0.68642%0.42SS*.PPolyproline II helixtrans-66.3139.317200000110
18P97.9Very high97.6Very high48 Ų4872.3 Ų72.331%0.31241%0.409SS..PPolyproline II helixtrans-65.7144.2174.830.1-35.3000110.2K21 D65 D66P18-K21 HydrophobicContact CG-CB 4.47Å; P18-D65 CarbonylContact C-O 3.58Å; P18-D65 WeakPolarHBondContact CA-O 3.16Å; P18-D66 HydrophobicContact CB-CB 3.94Å
19K98.2Very high97.5Very high113 Ų11376.8 Ų76.849%0.49143%0.428SS..SBendtrans-67.7-39.7174.1-60.1173.7-171.5159.70111M59 F64 D65K19-M59 HydrophobicContact CD-CE 4.43Å; K19-M59 HydrophobicContact CG-CE 3.93Å; K19-M59 PolarHBondContact NZ-O 3.05Å; K19-F64 PolarHBondContact NZ-O 3.13Å; K19-D65 HydrophobicContact CB-CB 4.2Å; K19-D65 PolarHBondContact N-O 2.84Å
20Q97.1Very high97.5Very high120 Ų12076.9 Ų76.956%0.56142%0.424SS*.  trans-145.3155.3173.5-63.6-163.8-1400110.2D65Q20-D65 HydrophobicContact CB-CB 4.13Å
21K97.1Very high97.5Very high140 Ų14075 Ų7561%0.60942%0.416SS*.  trans-139.987.5-176.2-171.7-177.3-177.8178.70110.1P18 V87P18-K21 HydrophobicContact CG-CB 4.47Å; K21-V87 HydrophobicContact CD-CG2 4.36Å; K21-V87 HydrophobicContact CG-CG1 3.86Å; K21-V87 HydrophobicContact CG-CG2 4.18Å
22D97.1Very high97.5Very high86 Ų8666.6 Ų66.646%0.4638%0.377SS..PPolyproline II helixtrans-80.6137.3175.2-62.4-37.7000111V87 M88D22-V87 CarbonylContact O-C 3.41Å; D22-V87 WeakPolarHBondContact O-CA 2.98Å; D22-V87 WeakPolarHBondContact O-CG1 3.38Å; D22-M88 HydrophobicContact CB-CB 4.18Å; D22-M88 PolarHBondContact O-N 3.2Å
23S97.7Very high97.6Very high86 Ų8660.3 Ų60.360%0.60135%0.348SS*.BIsolated β-bridgetrans-87.3152.3177.3-60.30000111.5G86S23-G86 CarbonylContact C-O 3.46Å; S23-G86 WeakPolarHBondContact CA-O 3.46Å
24L97Very high97.6Very high18 Ų1860.2 Ų60.29%0.09435%0.348CS..PPolyproline II helixtrans-70.5146160.7-62.1177.1000109.2G26 A28 G86 M88 N96 G97L24-G26 WeakPolarHBondContact CB-O 3.36Å; L24-G26 PolarHBondContact O-N 3.45Å; L24-A28 HydrophobicContact CD1-CB 4.27Å; L24-G86 PolarHBondContact N-O 2.68Å; L24-M88 HydrophobicContact CD2-CB 4.19Å; L24-M88 HydrophobicContact CD2-CG 4.39Å; L24-N96 WeakPolarHBondContact CD2-O 3.46Å; L24-G97 WeakPolarHBondContact CD2-O 3.22Å
25E92.4Very high97.6Very high206 Ų20658.4 Ų58.496%0.96333%0.326SS*.SBendtrans-70.2-11.5178.1-65.3-173166.100113.1
26G95.9Very high97.6Very high39 Ų3958.2 Ų58.240%0.40232%0.322SS..SBendtrans-174.4-165.6178.500000112.4L24L24-G26 WeakPolarHBondContact CB-O 3.36Å; L24-G26 PolarHBondContact O-N 3.45Å
27P97.7Very high97.6Very high47 Ų4758.3 Ų58.331%0.30532%0.323SS..SBendtrans-59.6139.3175.7-17.329.1000110.6Q29 G132 F133 Q135P27-Q29 PolarHBondContact O-N 3.06Å; P27-G132 WeakPolarHBondContact CB-O 3.5Å; P27-G132 VanDerWaalsContact CG-O 3.28Å; P27-G132 WeakPolarHBondContact CG-O 3.5Å; P27-F133 CarbonylContact C-O 3.59Å; P27-F133 WeakPolarHBondContact CA-O 3.46Å; P27-Q135 HydrophobicContact CB-CG 4.15Å
28A98.2Very high97.5Very high1 Ų158.1 Ų58.11%0.00831%0.31CS..EExtended strand (participates in β ladder)trans-59.2127.9177.300000110.2L24 L100 F133 Q135L24-A28 HydrophobicContact CD1-CB 4.27Å; A28-L100 HydrophobicContact CB-CB 4.07Å; A28-F133 PolarHBondContact N-O 2.85Å; A28-Q135 PolarHBondContact O-N 3.5Å
29Q97.8Very high97.2Very high116 Ų11666.2 Ų66.254%0.54233%0.334SS..EExtended strand (participates in β ladder)trans-86.3-18.5178.2-61.3178.547.900111.3P27 D98 Q135 F138 A139P27-Q29 PolarHBondContact O-N 3.06Å; Q29-D98 PolarHBondContact N-O 3.44Å; Q29-Q135 HydrophobicContact CG-CG 4.16Å; Q29-F138 VanDerWaalsContact O-CA 3.24Å; Q29-F138 WeakPolarHBondContact O-CA 3.45Å; Q29-F138 WeakPolarHBondContact O-CB 3.49Å; Q29-A139 PolarHBondContact O-N 2.94Å
30R97.8Very high97Very high37 Ų3762.9 Ų62.914%0.1432%0.324CS..EExtended strand (participates in β ladder)trans-136.6149.4-175.7-57-176.1-75150.2-6.2110.6H95 D98 S99 L100 A139 Y141R30-H95 PolarHBondContact NH1-ND1 3.4Å; R30-H95 PolarHBondContact NH2-ND1 3.25Å; R30-D98 IonicContact CZ-OD1 3.39Å; R30-D98 IonicContact CZ-OD2 2.83Å; R30-D98 VanDerWaalsContact CZ-OD2 3.25Å; R30-D98 PolarHBondContact N-O 3.22Å; R30-D98 IonicContact NE-OD1 3.18Å; R30-D98 PolarHBondContact NE-OD1 3.24Å; R30-D98 IonicContact NE-OD2 3.33Å; R30-D98 PolarHBondContact NE-OD2 3.19Å; R30-D98 IonicContact NH2-OD1 2.59Å; R30-D98 PolarHBondContact NH2-OD1 2.94Å; R30-D98 IonicContact NH2-OD2 2.87Å; R30-D98 PolarHBondContact NH2-OD2 3.38Å; R30-S99 CarbonylContact O-C 3.59Å; R30-S99 WeakPolarHBondContact O-CA 3.38Å; R30-S99 WeakPolarHBondContact O-CB 3.47Å; R30-L100 PolarHBondContact O-N 2.98Å; R30-A139 CarbonylContact C-O 3.48Å; R30-A139 VanDerWaalsContact CA-O 3.26Å; R30-A139 WeakPolarHBondContact CA-O 3.49Å; R30-A139 HydrophobicContact CG-CB 4.32Å; R30-Y141 HydrophobicContact CB-CD2 4.4Å; R30-Y141 HydrophobicContact CB-CE2 4.42Å; R30-Y141 HydrophobicContact CG-CE2 4.1Å
31V98.6Very high96.9Very high0 Ų057.1 Ų57.10%030%0.298CS..EExtended strand (participates in β ladder)trans-119129.4168.3174.70000107.9I33 L100 I102 L125 I134 F138 A139 L140 Y141V31-I33 HydrophobicContact CG1-CD1 3.86Å; V31-L100 WeakPolarHBondContact CA-O 3.41Å; V31-L100 HydrophobicContact CG2-CB 4.33Å; V31-I102 HydrophobicContact CG1-CD1 3.83Å; V31-I102 HydrophobicContact CG1-CG1 4.3Å; V31-L125 HydrophobicContact CB-CD2 4.38Å; V31-L125 HydrophobicContact CG1-CD2 3.98Å; V31-L125 HydrophobicContact CG2-CD2 3.79Å; V31-I134 HydrophobicContact CG2-CD1 4.28Å; V31-I134 HydrophobicContact CG2-CG2 4.3Å; V31-F138 HydrophobicContact CB-CD2 3.88Å; V31-F138 HydrophobicContact CB-CE2 3.93Å; V31-F138 HydrophobicContact CG2-CD2 3.44Å; V31-F138 VanDerWaalsContact CG2-CD2 3.44Å; V31-F138 HydrophobicContact CG2-CE2 3.62Å; V31-F138 HydrophobicContact CG2-CG 4.25Å; V31-A139 PolarHBondContact N-O 3.42Å; V31-L140 WeakPolarHBondContact O-CA 3.19Å; V31-Y141 PolarHBondContact O-N 2.95Å
32V98.8Very high96.5Very high0 Ų057.2 Ų57.20%030%0.298CS..EExtended strand (participates in β ladder)trans-112.5118.6177.3-167.70000109H34 L100 G101 I102 Y141 H143 L146V32-H34 WeakPolarHBondContact CG1-NE2 3.38Å; V32-H34 PolarHBondContact O-CD2 3.29Å; V32-H34 VanDerWaalsContact O-CD2 3.28Å; V32-L100 PolarHBondContact N-O 2.81Å; V32-G101 WeakPolarHBondContact O-CA 3.44Å; V32-I102 PolarHBondContact O-N 2.92Å; V32-Y141 CarbonylContact C-O 3.59Å; V32-Y141 WeakPolarHBondContact CA-O 3.04Å; V32-H143 HydrophobicContact CG1-CB 4.26Å; V32-L146 HydrophobicContact CG1-CD1 4.3Å; V32-L146 HydrophobicContact CG2-CD1 3.69Å
33I98.8Very high96.2Very high0 Ų054.6 Ų54.60%029%0.291CS..EExtended strand (participates in β ladder)trans-88.1131.3177.7-56-55.8000109.7V31 I102 F104 L140 Y141 H143 P152 L156 L160 L163V31-I33 HydrophobicContact CG1-CD1 3.86Å; I33-I102 WeakPolarHBondContact CA-O 3.34Å; I33-I102 HydrophobicContact CD1-CB 4.05Å; I33-I102 HydrophobicContact CD1-CD1 4.36Å; I33-F104 HydrophobicContact CG2-CD2 3.92Å; I33-F104 HydrophobicContact CG2-CE2 3.85Å; I33-L140 HydrophobicContact CG1-CD1 4.4Å; I33-L140 HydrophobicContact CG1-CD2 4.37Å; I33-L140 HydrophobicContact CG1-CG 4.33Å; I33-Y141 PolarHBondContact N-O 2.95Å; I33-H143 PolarHBondContact O-N 3.47Å; I33-H143 VanDerWaalsContact O-N 3.08Å; I33-P152 HydrophobicContact CG2-CB 4.26Å; I33-L156 HydrophobicContact CG2-CD1 4.41Å; I33-L156 HydrophobicContact CG2-CD2 4.07Å; I33-L156 HydrophobicContact CG2-CG 4.21Å; I33-L160 HydrophobicContact CB-CD2 3.62Å; I33-L160 HydrophobicContact CG1-CD2 3.66Å; I33-L160 HydrophobicContact CG2-CD2 3.75Å; I33-L163 HydrophobicContact CD1-CD1 3.93Å; I33-L163 HydrophobicContact CG1-CD1 3.93Å
34H98.9Very high95.9Very high2 Ų255.3 Ų55.31%0.00929%0.288CS..EExtended strand (participates in β ladder)trans-122.6164.9179-67-101.1000111.4V32 Y69 H91 T92 I102 A103 F104 H143 C151V32-H34 WeakPolarHBondContact CG1-NE2 3.38Å; V32-H34 PolarHBondContact O-CD2 3.29Å; V32-H34 VanDerWaalsContact O-CD2 3.28Å; H34-Y69 HydrophobicContact CB-CD1 4.27Å; H34-Y69 HydrophobicContact CB-CE1 3.74Å; H34-Y69 AromaticContact CG-CE1 3.67Å; H34-Y69 AromaticContact ND1-CE1 3.84Å; H34-H91 PolarHBondContact CE1-O 3.16Å; H34-H91 AromaticContact NE2-CG 3.76Å; H34-H91 AromaticContact NE2-ND1 3.37Å; H34-H91 PolarHBondContact NE2-ND1 2.9Å; H34-T92 PolarHBondContact CE1-OG1 2.9Å; H34-T92 PolarHBondContact NE2-OG1 3.21Å; H34-T92 VanDerWaalsContact NE2-OG1 3.12Å; H34-I102 PolarHBondContact N-O 3.29Å; H34-A103 HydrophobicContact CB-CB 4Å; H34-A103 WeakPolarHBondContact O-CA 3.28Å; H34-F104 PolarHBondContact O-N 3Å; H34-H143 AromaticContact CE1-CD2 3.88Å; H34-H143 AromaticContact CE1-CE1 3.57Å; H34-H143 AromaticContact CE1-CG 3.25Å; H34-H143 AromaticContact CE1-ND1 3.05Å; H34-H143 PolarHBondContact CE1-ND1 2.98Å; H34-H143 AromaticContact ND1-CE1 3.88Å; H34-H143 AromaticContact ND1-CG 3.53Å; H34-H143 AromaticContact ND1-ND1 3.06Å; H34-H143 PolarHBondContact ND1-ND1 3.49Å; H34-C151 WeakPolarHBondContact CA-SG 3.36Å
35H98.7Very high95.9Very high12 Ų1258 Ų586%0.05631%0.312CS..EExtended strand (participates in β ladder)trans-115.8161.3154.672-176.3000110.3A37 F104 F108 C151 P152 L156H35-A37 VanDerWaalsContact C-N 3.31Å; H35-F104 CarbonylContact C-O 3.51Å; H35-F104 VanDerWaalsContact CA-O 3.24Å; H35-F104 WeakPolarHBondContact CA-O 3.5Å; H35-F108 HydrophobicContact CB-CD2 3.59Å; H35-F108 HydrophobicContact CB-CE2 4.05Å; H35-F108 PolarHBondContact ND1-N 2.86Å; H35-C151 PolarHBondContact N-SG 2.64Å; H35-P152 WeakPolarHBondContact CB-O 3.46Å; H35-P152 VanDerWaalsContact CG-O 3.31Å; H35-P152 VanDerWaalsContact ND1-C 3.32Å; H35-P152 PolarHBondContact ND1-O 3.22Å; H35-L156 HydrophobicContact CB-CD2 4.44Å
36T98.3Very high96.1Very high20 Ų2052.8 Ų52.812%0.12329%0.288CS..  trans-80.4-17.8173.960.50000112.2L38 E50 I54 L72 A103 F104 M105 G106T36-L38 PolarHBondContact O-N 3.12Å; T36-L38 PolarHBondContact OG1-N 3.42Å; T36-E50 PolarHBondContact OG1-OE1 3.4Å; T36-I54 HydrophobicContact CG2-CD1 3.58Å; T36-L72 HydrophobicContact CG2-CD2 4.36Å; T36-A103 HydrophobicContact CG2-CB 4.22Å; T36-F104 PolarHBondContact N-O 3.48Å; T36-M105 HydrophobicContact CG2-CB 4.41Å; T36-M105 HydrophobicContact CG2-CG 3.94Å; T36-M105 WeakPolarHBondContact OG1-CA 3.35Å; T36-G106 PolarHBondContact N-O 2.83Å; T36-G106 PolarHBondContact OG1-N 3.39Å
37A97.2Very high96.2Very high51 Ų5151 Ų5142%0.42127%0.269SS..SBendtrans58.918.9-170.300000113.5H35 G106H35-A37 VanDerWaalsContact C-N 3.31Å; A37-G106 WeakPolarHBondContact CA-O 3.24Å; A37-G106 PolarHBondContact N-O 3.28Å
38L95.4Very high96.2Very high78 Ų7849.8 Ų49.841%0.40826%0.261SS..SBendtrans-98.3-169.8174.6-60.4177.7000110.3T36 E50 I54 G106 N107T36-L38 PolarHBondContact O-N 3.12Å; T36-L38 PolarHBondContact OG1-N 3.42Å; L38-E50 WeakPolarHBondContact CB-OE1 3.22Å; L38-E50 HydrophobicContact CD1-CG 4.17Å; L38-I54 HydrophobicContact CD1-CD1 4.07Å; L38-I54 HydrophobicContact CD1-CG1 3.75Å; L38-G106 CarbonylContact O-C 3.58Å; L38-G106 VanDerWaalsContact O-CA 3.3Å; L38-G106 WeakPolarHBondContact O-CA 3.47Å; L38-N107 WeakPolarHBondContact O-CB 3.32Å; L38-N107 PolarHBondContact O-N 3Å; L38-N107 VanDerWaalsContact O-N 3.09Å
39R93.6Very high96.2Very high219 Ų21955.2 Ų55.283%0.82629%0.29SS*.PPolyproline II helixtrans-69.4150.7171.2-66.6-177.1179.4-170.8-0.2109.3
40C93.4Very high96.2Very high42 Ų4250.8 Ų50.828%0.28427%0.269SS..PPolyproline II helixtrans-73.7125.7171.2-1800000109.3
41C93.8Very high96.2Very high0 Ų049 Ų490%026%0.263CS..PPolyproline II helixtrans-89.7152.1170.569.30000112E46 C47 E50 G75 M105C41-E46 HydrophobicContact CB-CB 4.28Å; C41-E46 HydrophobicContact CB-CG 3.81Å; C41-C47 HydrophobicContact CB-CB 3.92Å; C41-C47 WeakPolarHBondContact CB-SG 3.4Å; C41-C47 WeakPolarHBondContact SG-CA 3.36Å; C41-C47 WeakPolarHBondContact SG-CB 3.27Å; C41-C47 CovalentContact SG-SG 2.05Å; C41-C47 PolarHBondContact SG-SG 2.8Å; C41-E50 HydrophobicContact CB-CB 4.5Å; C41-E50 VanDerWaalsContact CB-OE2 3.3Å; C41-E50 WeakPolarHBondContact CB-OE2 3.17Å; C41-G75 PolarHBondContact O-N 2.89Å; C41-M105 VanDerWaalsContact SG-CE 3.6Å
42K89.9Confident96.2Very high142 Ų14250.6 Ų50.662%0.61727%0.271SS*.  trans-138.3138.7170.7-62.8-178.2-176.3178.80111.3E46K42-E46 PolarHBondContact N-OE2 2.79Å; K42-E46 WeakPolarHBondContact O-CB 3.25Å
43G90.4Very high96.2Very high31 Ų3154 Ų5432%0.3229%0.294SS..SBendtrans80.2154.5-177.300000112A45 E46 C47 D76G43-A45 VanDerWaalsContact C-N 3.32Å; G43-A45 PolarHBondContact O-N 3.48Å; G43-E46 PolarHBondContact O-N 2.95Å; G43-C47 WeakPolarHBondContact O-CB 3.13Å; G43-C47 PolarHBondContact O-N 3.42Å; G43-C47 VanDerWaalsContact O-N 3.1Å; G43-D76 WeakPolarHBondContact CA-OD2 3.23Å; G43-D76 PolarHBondContact N-OD2 2.82Å
44L92.3Very high96.2Very high100 Ų10054.2 Ų54.252%0.52430%0.296SS..Hα-helixtrans-57.7-41.8-170.6-176.862.2000113.2V8 T48 F80V8-L44 HydrophobicContact CG1-CD1 4.1Å; V8-L44 HydrophobicContact CG2-CD1 3.66Å; L44-T48 WeakPolarHBondContact O-CB 3.38Å; L44-T48 PolarHBondContact O-N 2.91Å; L44-T48 PolarHBondContact O-OG1 2.79Å; L44-F80 HydrophobicContact CD1-CE1 4.17Å; L44-F80 HydrophobicContact CD1-CZ 3.99Å
45A95.8Very high96.2Very high74 Ų7454.3 Ų54.361%0.61230%0.296SS*.Hα-helixtrans-66.2-53-176.600000112.1G43 C47 T48 D49G43-A45 VanDerWaalsContact C-N 3.32Å; G43-A45 PolarHBondContact O-N 3.48Å; A45-C47 PolarHBondContact O-N 3.46Å; A45-T48 WeakPolarHBondContact O-CB 3.38Å; A45-T48 PolarHBondContact O-N 3.07Å; A45-D49 PolarHBondContact O-N 2.9Å
46E96.9Very high96.2Very high98 Ų9861.4 Ų61.446%0.45832%0.322SS..Hα-helixtrans-62.3-43.8-179.5-170.6-176.7-167.800111.3C41 K42 G43 T48 D49 E50C41-E46 HydrophobicContact CB-CB 4.28Å; C41-E46 HydrophobicContact CB-CG 3.81Å; K42-E46 PolarHBondContact N-OE2 2.79Å; K42-E46 WeakPolarHBondContact O-CB 3.25Å; G43-E46 PolarHBondContact O-N 2.95Å; E46-T48 VanDerWaalsContact C-N 3.33Å; E46-T48 PolarHBondContact O-N 3.13Å; E46-D49 PolarHBondContact O-N 2.92Å; E46-E50 PolarHBondContact O-N 2.88Å
47C97.6Very high96.2Very high0 Ų063 Ų630%033%0.33CS..Hα-helixtrans-69-31.5178.1-70.20000112.9C41 G43 A45 E50 V51 F80 M105C41-C47 HydrophobicContact CB-CB 3.92Å; C41-C47 WeakPolarHBondContact CB-SG 3.4Å; C41-C47 WeakPolarHBondContact SG-CA 3.36Å; C41-C47 WeakPolarHBondContact SG-CB 3.27Å; C41-C47 CovalentContact SG-SG 2.05Å; C41-C47 PolarHBondContact SG-SG 2.8Å; G43-C47 WeakPolarHBondContact O-CB 3.13Å; G43-C47 PolarHBondContact O-N 3.42Å; G43-C47 VanDerWaalsContact O-N 3.1Å; A45-C47 PolarHBondContact O-N 3.46Å; C47-E50 PolarHBondContact O-N 2.9Å; C47-V51 VanDerWaalsContact O-CG2 3.28Å; C47-V51 WeakPolarHBondContact O-CG2 3.39Å; C47-V51 PolarHBondContact O-N 2.85Å; C47-F80 HydrophobicContact CB-CE2 3.48Å; C47-F80 VanDerWaalsContact CB-CE2 3.48Å; C47-F80 HydrophobicContact CB-CZ 3.45Å; C47-F80 VanDerWaalsContact CB-CZ 3.45Å; C47-M105 HydrophobicContact CB-CE 3.86Å
48T98.2Very high96.3Very high23 Ų2360.8 Ų60.814%0.14131%0.311CS..Hα-helixtrans-64.2-45.2172.6-64.30000111W13 L44 A45 E46 E50 V51 L52W13-T48 HydrophobicContact CB-CG2 3.94Å; L44-T48 WeakPolarHBondContact O-CB 3.38Å; L44-T48 PolarHBondContact O-N 2.91Å; L44-T48 PolarHBondContact O-OG1 2.79Å; A45-T48 WeakPolarHBondContact O-CB 3.38Å; A45-T48 PolarHBondContact O-N 3.07Å; E46-T48 VanDerWaalsContact C-N 3.33Å; E46-T48 PolarHBondContact O-N 3.13Å; T48-E50 VanDerWaalsContact C-N 3.29Å; T48-E50 PolarHBondContact O-N 2.59Å; T48-V51 PolarHBondContact O-N 3.3Å; T48-L52 HydrophobicContact CG2-CD1 3.95Å; T48-L52 HydrophobicContact CG2-CG 4.48Å; T48-L52 WeakPolarHBondContact O-CB 3.48Å; T48-L52 WeakPolarHBondContact O-CG 3.26Å; T48-L52 PolarHBondContact O-N 2.91Å
49D98Very high96.4Very high114 Ų11457.8 Ų57.861%0.6130%0.295SS*.Hα-helixtrans-60.7-40177-72.6-19.6000111.6A45 E46 S53A45-D49 PolarHBondContact O-N 2.9Å; E46-D49 PolarHBondContact O-N 2.92Å; D49-S53 WeakPolarHBondContact O-CB 3.35Å; D49-S53 PolarHBondContact O-N 2.99Å
50E98.1Very high96.6Very high23 Ų2352.5 Ų52.511%0.10728%0.283CS..Hα-helixtrans-66.4-48176.4-170.1173.6161.700112.2T36 L38 C41 E46 C47 T48 L52 S53 I54 M105T36-E50 PolarHBondContact OG1-OE1 3.4Å; L38-E50 WeakPolarHBondContact CB-OE1 3.22Å; L38-E50 HydrophobicContact CD1-CG 4.17Å; C41-E50 HydrophobicContact CB-CB 4.5Å; C41-E50 VanDerWaalsContact CB-OE2 3.3Å; C41-E50 WeakPolarHBondContact CB-OE2 3.17Å; E46-E50 PolarHBondContact O-N 2.88Å; C47-E50 PolarHBondContact O-N 2.9Å; T48-E50 VanDerWaalsContact C-N 3.29Å; T48-E50 PolarHBondContact O-N 2.59Å; E50-L52 VanDerWaalsContact C-N 3.32Å; E50-L52 PolarHBondContact O-N 3.39Å; E50-S53 WeakPolarHBondContact O-CB 2.95Å; E50-S53 PolarHBondContact O-N 3.46Å; E50-S53 VanDerWaalsContact O-N 3.15Å; E50-I54 HydrophobicContact CG-CD1 3.88Å; E50-I54 HydrophobicContact CG-CG1 4.41Å; E50-I54 VanDerWaalsContact O-CG1 3.27Å; E50-I54 WeakPolarHBondContact O-CG1 3.34Å; E50-I54 PolarHBondContact O-N 3.15Å; E50-M105 HydrophobicContact CB-SD 4.3Å; E50-M105 HydrophobicContact CG-SD 4.26Å
51V98.3Very high96.8Very high0 Ų057.4 Ų57.40%030%0.302CS..Hα-helixtrans-60.4-41.6178.1175.60000111.3W13 C47 T48 I54 Q55 I67 L72 F80 M105W13-V51 HydrophobicContact CD2-CG1 3.86Å; W13-V51 HydrophobicContact CE3-CG1 3.83Å; W13-V51 HydrophobicContact CG-CG1 4.46Å; W13-V51 HydrophobicContact CH2-CG1 4.04Å; W13-V51 HydrophobicContact CZ2-CG1 4.05Å; W13-V51 HydrophobicContact CZ3-CG1 3.92Å; C47-V51 VanDerWaalsContact O-CG2 3.28Å; C47-V51 WeakPolarHBondContact O-CG2 3.39Å; C47-V51 PolarHBondContact O-N 2.85Å; T48-V51 PolarHBondContact O-N 3.3Å; V51-I54 PolarHBondContact O-N 3.03Å; V51-Q55 PolarHBondContact O-N 3.36Å; V51-I67 HydrophobicContact CG1-CD1 4.05Å; V51-L72 HydrophobicContact CG2-CB 4.5Å; V51-L72 HydrophobicContact CG2-CD2 4.37Å; V51-F80 HydrophobicContact CB-CD1 4.47Å; V51-F80 HydrophobicContact CG2-CB 4.01Å; V51-F80 HydrophobicContact CG2-CD1 3.9Å; V51-F80 HydrophobicContact CG2-CD2 4.24Å; V51-F80 HydrophobicContact CG2-CE1 4.43Å; V51-F80 HydrophobicContact CG2-CG 3.79Å; V51-M105 HydrophobicContact CG2-CE 3.94Å; V51-M105 HydrophobicContact CG2-SD 3.49Å; V51-M105 WeakPolarHBondContact CG2-SD 3.39Å
52L98.6Very high97Very high34 Ų3463.6 Ų63.618%0.17833%0.325CS..Hα-helixtrans-60.4-45.2174.4-78.9168.8000111.8W13 G14 T48 E50 Q55 R56W13-L52 HydrophobicContact CE3-CD2 3.86Å; W13-L52 HydrophobicContact CE3-CG 4.14Å; W13-L52 HydrophobicContact CZ3-CD2 3.97Å; W13-L52 WeakPolarHBondContact O-CD2 3.26Å; G14-L52 WeakPolarHBondContact O-CD2 3.35Å; T48-L52 HydrophobicContact CG2-CD1 3.95Å; T48-L52 HydrophobicContact CG2-CG 4.48Å; T48-L52 WeakPolarHBondContact O-CB 3.48Å; T48-L52 WeakPolarHBondContact O-CG 3.26Å; T48-L52 PolarHBondContact O-N 2.91Å; E50-L52 VanDerWaalsContact C-N 3.32Å; E50-L52 PolarHBondContact O-N 3.39Å; L52-Q55 PolarHBondContact O-N 2.93Å; L52-R56 WeakPolarHBondContact O-CG 3.36Å; L52-R56 PolarHBondContact O-N 2.92Å
53S98.4Very high97.3Very high70 Ų7063.7 Ų63.749%0.4933%0.328SS..Hα-helixtrans-61.3-44.3177-175.30000111.7D49 E50 Q55 R56 L57D49-S53 WeakPolarHBondContact O-CB 3.35Å; D49-S53 PolarHBondContact O-N 2.99Å; E50-S53 WeakPolarHBondContact O-CB 2.95Å; E50-S53 PolarHBondContact O-N 3.46Å; E50-S53 VanDerWaalsContact O-N 3.15Å; S53-Q55 PolarHBondContact O-N 3.35Å; S53-R56 PolarHBondContact O-N 3.27Å; S53-L57 WeakPolarHBondContact O-CB 3.3Å; S53-L57 PolarHBondContact O-N 3.03Å
54I98.7Very high97.7Very high6 Ų665 Ų653%0.03133%0.325CS..Hα-helixtrans-63.4-43177.1-65.1163.6000110.9T36 L38 E50 V51 L57 H58 I67 Y69 L72T36-I54 HydrophobicContact CG2-CD1 3.58Å; L38-I54 HydrophobicContact CD1-CD1 4.07Å; L38-I54 HydrophobicContact CD1-CG1 3.75Å; E50-I54 HydrophobicContact CG-CD1 3.88Å; E50-I54 HydrophobicContact CG-CG1 4.41Å; E50-I54 VanDerWaalsContact O-CG1 3.27Å; E50-I54 WeakPolarHBondContact O-CG1 3.34Å; E50-I54 PolarHBondContact O-N 3.15Å; V51-I54 PolarHBondContact O-N 3.03Å; I54-L57 PolarHBondContact O-N 3.4Å; I54-H58 VanDerWaalsContact CG2-CE1 3.41Å; I54-H58 WeakPolarHBondContact CG2-CE1 3.34Å; I54-H58 WeakPolarHBondContact O-CB 3.34Å; I54-H58 VanDerWaalsContact O-CG 3.25Å; I54-H58 PolarHBondContact O-N 3.42Å; I54-I67 HydrophobicContact CB-CD1 4.14Å; I54-I67 HydrophobicContact CG2-CD1 3.73Å; I54-I67 HydrophobicContact CG2-CG1 3.88Å; I54-Y69 HydrophobicContact CG2-CE2 4.28Å; I54-L72 HydrophobicContact CD1-CD2 3.89Å
55Q98.8Very high98Very high4 Ų462.6 Ų62.62%0.01931%0.312CS..Hα-helixtrans-60.5-47.5177.3-174.6-175.946.100111W13 A16 V51 L52 S53 H58 M59 D66 I67W13-Q55 HydrophobicContact CH2-CB 4.23Å; W13-Q55 HydrophobicContact CH2-CG 4.33Å; W13-Q55 HydrophobicContact CZ3-CB 4.28Å; A16-Q55 PolarHBondContact O-NE2 3.44Å; A16-Q55 VanDerWaalsContact O-NE2 3.14Å; V51-Q55 PolarHBondContact O-N 3.36Å; L52-Q55 PolarHBondContact O-N 2.93Å; S53-Q55 PolarHBondContact O-N 3.35Å; Q55-H58 PolarHBondContact O-N 3.36Å; Q55-M59 HydrophobicContact CG-CG 4.29Å; Q55-M59 HydrophobicContact CG-SD 3.64Å; Q55-M59 WeakPolarHBondContact O-CB 3.26Å; Q55-M59 WeakPolarHBondContact O-CG 3.4Å; Q55-M59 PolarHBondContact O-N 3.08Å; Q55-D66 PolarHBondContact NE2-OD1 3.31Å; Q55-I67 HydrophobicContact CB-CB 4.17Å; Q55-I67 HydrophobicContact CB-CD1 4.42Å; Q55-I67 HydrophobicContact CG-CB 4.21Å
56R98.6Very high98.2Very high160 Ų16059.3 Ų59.360%0.60429%0.285SS*.Hα-helixtrans-59-50.6177.7-70.9177.4-171.8-176.24.2111.5L52 S53 H58 M59 D60L52-R56 WeakPolarHBondContact O-CG 3.36Å; L52-R56 PolarHBondContact O-N 2.92Å; S53-R56 PolarHBondContact O-N 3.27Å; R56-H58 VanDerWaalsContact C-N 3.29Å; R56-H58 PolarHBondContact O-N 3.26Å; R56-M59 PolarHBondContact O-N 3.16Å; R56-D60 VanDerWaalsContact O-CB 3.25Å; R56-D60 WeakPolarHBondContact O-CB 3.35Å; R56-D60 PolarHBondContact O-N 2.89Å
57L98.4Very high98.3Very high53 Ų5354.7 Ų54.728%0.27726%0.263SS..Iπ-helixtrans-53.9-46.7176.5-176.279.4000111.6S53 I54 E61 R62S53-L57 WeakPolarHBondContact O-CB 3.3Å; S53-L57 PolarHBondContact O-N 3.03Å; I54-L57 PolarHBondContact O-N 3.4Å; L57-E61 HydrophobicContact CD1-CB 4.34Å; L57-E61 HydrophobicContact CD1-CG 4.23Å; L57-E61 WeakPolarHBondContact CD1-OE2 3.45Å; L57-E61 WeakPolarHBondContact O-CB 3.5Å; L57-E61 PolarHBondContact O-N 3.12Å; L57-E61 VanDerWaalsContact O-N 3.12Å; L57-R62 PolarHBondContact O-N 3.25Å; L57-R62 VanDerWaalsContact O-N 3.1Å
58H98.7Very high98.3Very high5 Ų554.7 Ų54.72%0.02326%0.263CS..Iπ-helixtrans-66.4-41.1-179.3-73.9168.7000113I54 Q55 R56 R62 H63 F64 G68 Y69I54-H58 VanDerWaalsContact CG2-CE1 3.41Å; I54-H58 WeakPolarHBondContact CG2-CE1 3.34Å; I54-H58 WeakPolarHBondContact O-CB 3.34Å; I54-H58 VanDerWaalsContact O-CG 3.25Å; I54-H58 PolarHBondContact O-N 3.42Å; Q55-H58 PolarHBondContact O-N 3.36Å; R56-H58 VanDerWaalsContact C-N 3.29Å; R56-H58 PolarHBondContact O-N 3.26Å; H58-R62 PolarHBondContact NE2-NH1 3.03Å; H58-R62 VanDerWaalsContact NE2-NH1 3.13Å; H58-R62 CarbonylContact O-C 3.52Å; H58-R62 WeakPolarHBondContact O-CB 3.42Å; H58-H63 PolarHBondContact O-N 3.43Å; H58-F64 HydrophobicContact CB-CB 4.47Å; H58-F64 HydrophobicContact CB-CD2 3.94Å; H58-F64 WeakPolarHBondContact O-CB 3.5Å; H58-F64 PolarHBondContact O-N 2.82Å; H58-G68 PolarHBondContact ND1-N 3.19Å; H58-Y69 AromaticContact CE1-CE2 3.67Å
59M98.6Very high98.3Very high16 Ų1654.6 Ų54.68%0.07926%0.261CS..Iπ-helixtrans-81.9-38.6-176.2-68.1-178.371.200113.2A16 K19 Q55 R56 H63A16-M59 HydrophobicContact CB-SD 4.33Å; K19-M59 HydrophobicContact CD-CE 4.43Å; K19-M59 HydrophobicContact CG-CE 3.93Å; K19-M59 PolarHBondContact NZ-O 3.05Å; Q55-M59 HydrophobicContact CG-CG 4.29Å; Q55-M59 HydrophobicContact CG-SD 3.64Å; Q55-M59 WeakPolarHBondContact O-CB 3.26Å; Q55-M59 WeakPolarHBondContact O-CG 3.4Å; Q55-M59 PolarHBondContact O-N 3.08Å; R56-M59 PolarHBondContact O-N 3.16Å; M59-H63 WeakPolarHBondContact O-CA 3.44Å
60D98Very high98.4Very high108 Ų10849.2 Ų49.258%0.57823%0.231SC*.Iπ-helixtrans-89.9-46.2-171.4-60.6-20000111R56 H63R56-D60 VanDerWaalsContact O-CB 3.25Å; R56-D60 WeakPolarHBondContact O-CB 3.35Å; R56-D60 PolarHBondContact O-N 2.89Å; D60-H63 PolarHBondContact O-CE1 2.94Å; D60-H63 VanDerWaalsContact O-CE1 3.22Å; D60-H63 PolarHBondContact O-ND1 3.15Å
61E97.2Very high98.4Very high144 Ų14448.1 Ų48.167%0.67323%0.227SC*.Iπ-helixtrans-94.8-38.2-175.8-59.1-175.7-156.500113.1L57L57-E61 HydrophobicContact CD1-CB 4.34Å; L57-E61 HydrophobicContact CD1-CG 4.23Å; L57-E61 WeakPolarHBondContact CD1-OE2 3.45Å; L57-E61 WeakPolarHBondContact O-CB 3.5Å; L57-E61 PolarHBondContact O-N 3.12Å; L57-E61 VanDerWaalsContact O-N 3.12Å
62R97.2Very high98.4Very high130 Ų13048.1 Ų48.149%0.49123%0.227SC..SBendtrans-93.1-3.8179-54.5-168.8-177.4171.6-5.4113.9L57 H58 F64L57-R62 PolarHBondContact O-N 3.25Å; L57-R62 VanDerWaalsContact O-N 3.1Å; H58-R62 PolarHBondContact NE2-NH1 3.03Å; H58-R62 VanDerWaalsContact NE2-NH1 3.13Å; H58-R62 CarbonylContact O-C 3.52Å; H58-R62 WeakPolarHBondContact O-CB 3.42Å; R62-F64 HydrophobicContact CB-CD1 4.04Å; R62-F64 HydrophobicContact CB-CE1 3.96Å; R62-F64 HydrophobicContact CB-CE2 4.47Å; R62-F64 HydrophobicContact CB-CG 4.33Å; R62-F64 HydrophobicContact CB-CZ 4.2Å; R62-F64 VanDerWaalsContact O-CD1 3.3Å; R62-F64 WeakPolarHBondContact O-CD1 3.27Å; R62-F64 PolarHBondContact O-N 3.27Å; R62-F64 VanDerWaalsContact O-N 3.16Å
63H97.7Very high98.4Very high145 Ų14546.5 Ų46.567%0.67122%0.218SC*.  trans55.628.5179.2-51.8-48.7000114.4H58 M59 D60H58-H63 PolarHBondContact O-N 3.43Å; M59-H63 WeakPolarHBondContact O-CA 3.44Å; D60-H63 PolarHBondContact O-CE1 2.94Å; D60-H63 VanDerWaalsContact O-CE1 3.22Å; D60-H63 PolarHBondContact O-ND1 3.15Å
64F98.5Very high98.4Very high58 Ų5843.2 Ų43.225%0.25420%0.195SC..  trans-70.7159.5170.9-63.5-7.2000110.3K19 H58 R62 D66 A90K19-F64 PolarHBondContact NZ-O 3.13Å; H58-F64 HydrophobicContact CB-CB 4.47Å; H58-F64 HydrophobicContact CB-CD2 3.94Å; H58-F64 WeakPolarHBondContact O-CB 3.5Å; H58-F64 PolarHBondContact O-N 2.82Å; R62-F64 HydrophobicContact CB-CD1 4.04Å; R62-F64 HydrophobicContact CB-CE1 3.96Å; R62-F64 HydrophobicContact CB-CE2 4.47Å; R62-F64 HydrophobicContact CB-CG 4.33Å; R62-F64 HydrophobicContact CB-CZ 4.2Å; R62-F64 VanDerWaalsContact O-CD1 3.3Å; R62-F64 WeakPolarHBondContact O-CD1 3.27Å; R62-F64 PolarHBondContact O-N 3.27Å; R62-F64 VanDerWaalsContact O-N 3.16Å; F64-D66 VanDerWaalsContact CB-O 3.26Å; F64-D66 WeakPolarHBondContact CB-O 3.49Å; F64-D66 PolarHBondContact O-N 3.15Å; F64-A90 HydrophobicContact CD1-CB 4.42Å; F64-A90 HydrophobicContact CD2-CB 3.7Å; F64-A90 HydrophobicContact CE2-CB 3.79Å; F64-A90 WeakPolarHBondContact CE2-O 3.48Å; F64-A90 HydrophobicContact CG-CB 4.04Å; F64-A90 HydrophobicContact CZ-CB 4.2Å
65D98.4Very high98.3Very high49 Ų4943.3 Ų43.326%0.26220%0.198SC..SBendtrans-70.8-22.6174.3-62.5-58.9000113.2P18 K19 Q20P18-D65 CarbonylContact C-O 3.58Å; P18-D65 WeakPolarHBondContact CA-O 3.16Å; K19-D65 HydrophobicContact CB-CB 4.2Å; K19-D65 PolarHBondContact N-O 2.84Å; Q20-D65 HydrophobicContact CB-CB 4.13Å
66D98.8Very high98.1Very high6 Ų645.9 Ų45.93%0.03221%0.212CC..SBendtrans-165.2178.5180-164.912.7000109.5R10 P18 Q55 F64 G68 R83R10-D66 IonicContact CZ-OD1 2.98Å; R10-D66 IonicContact CZ-OD2 3.04Å; R10-D66 IonicContact NH1-OD1 2.72Å; R10-D66 PolarHBondContact NH1-OD1 2.88Å; R10-D66 IonicContact NH1-OD2 3.7Å; R10-D66 PolarHBondContact NH1-OD2 3.01Å; R10-D66 VanDerWaalsContact NH2-CG 3.31Å; R10-D66 IonicContact NH2-OD1 3.43Å; R10-D66 PolarHBondContact NH2-OD1 2.78Å; R10-D66 IonicContact NH2-OD2 2.65Å; R10-D66 PolarHBondContact NH2-OD2 3.37Å; P18-D66 HydrophobicContact CB-CB 3.94Å; Q55-D66 PolarHBondContact NE2-OD1 3.31Å; F64-D66 VanDerWaalsContact CB-O 3.26Å; F64-D66 WeakPolarHBondContact CB-O 3.49Å; F64-D66 PolarHBondContact O-N 3.15Å; D66-G68 PolarHBondContact O-N 3.33Å; D66-R83 HydrophobicContact CB-CG 4.4Å; D66-R83 PolarHBondContact O-NH2 3.44Å; D66-R83 VanDerWaalsContact O-NH2 3.15Å
67I98.8Very high98Very high0 Ų038.8 Ų38.80%019%0.188CC..  trans-45.9132166.5-167.8162.5000110.8V51 I54 Q55 Y69 L72 R83V51-I67 HydrophobicContact CG1-CD1 4.05Å; I54-I67 HydrophobicContact CB-CD1 4.14Å; I54-I67 HydrophobicContact CG2-CD1 3.73Å; I54-I67 HydrophobicContact CG2-CG1 3.88Å; Q55-I67 HydrophobicContact CB-CB 4.17Å; Q55-I67 HydrophobicContact CB-CD1 4.42Å; Q55-I67 HydrophobicContact CG-CB 4.21Å; I67-Y69 VanDerWaalsContact C-N 3.32Å; I67-Y69 HydrophobicContact CG1-CD2 4.48Å; I67-Y69 PolarHBondContact O-N 3.17Å; I67-L72 HydrophobicContact CD1-CD1 3.68Å; I67-L72 HydrophobicContact CD1-CD2 4.08Å; I67-L72 HydrophobicContact CG1-CD1 4.49Å; I67-R83 WeakPolarHBondContact O-CG 3.35Å; I67-R83 PolarHBondContact O-NE 2.99Å
68G98.6Very high97.9Very high1 Ų137.7 Ų37.71%0.0119%0.185CC..SBendtrans-70.5-21.7-169.900000115.7H58 D66 A90 H91H58-G68 PolarHBondContact ND1-N 3.19Å; D66-G68 PolarHBondContact O-N 3.33Å; G68-A90 CarbonylContact O-C 3.58Å; G68-A90 PolarHBondContact O-N 3.23Å; G68-H91 WeakPolarHBondContact O-CB 3.48Å; G68-H91 PolarHBondContact O-N 3.12Å
69Y98.9Very high97.9Very high21 Ų2137.7 Ų37.78%0.08219%0.185CC..  trans-94.1150.2-177-47.7-69.7000111.6H34 I54 H58 I67 L72 G82 R83 H91 A103H34-Y69 HydrophobicContact CB-CD1 4.27Å; H34-Y69 HydrophobicContact CB-CE1 3.74Å; H34-Y69 AromaticContact CG-CE1 3.67Å; H34-Y69 AromaticContact ND1-CE1 3.84Å; I54-Y69 HydrophobicContact CG2-CE2 4.28Å; H58-Y69 AromaticContact CE1-CE2 3.67Å; I67-Y69 VanDerWaalsContact C-N 3.32Å; I67-Y69 HydrophobicContact CG1-CD2 4.48Å; I67-Y69 PolarHBondContact O-N 3.17Å; Y69-L72 HydrophobicContact CD2-CD2 3.96Å; Y69-L72 HydrophobicContact CD2-CG 4.26Å; Y69-G82 WeakPolarHBondContact O-CA 3.38Å; Y69-R83 PolarHBondContact O-N 2.84Å; Y69-H91 HydrophobicContact CD1-CB 3.64Å; Y69-H91 HydrophobicContact CE1-CB 3.99Å; Y69-A103 HydrophobicContact CD1-CB 3.69Å; Y69-A103 HydrophobicContact CD2-CB 3.63Å; Y69-A103 HydrophobicContact CE1-CB 3.85Å; Y69-A103 HydrophobicContact CE2-CB 3.78Å; Y69-A103 HydrophobicContact CG-CB 3.57Å
70N98.9Very high97.9Very high0 Ų036.9 Ų36.90%018%0.181CC..SBendtrans-74.6-42.5173.3-65.187.2000111.3G82 R83 G84 V87 L100 G101N70-G82 CarbonylContact O-C 3.41Å; N70-G82 VanDerWaalsContact O-CA 3.23Å; N70-G82 WeakPolarHBondContact O-CA 3.35Å; N70-G82 PolarHBondContact O-N 2.74Å; N70-R83 PolarHBondContact O-N 2.79Å; N70-G84 PolarHBondContact ND2-O 3.28Å; N70-G84 PolarHBondContact O-N 3.43Å; N70-V87 PolarHBondContact ND2-O 3.39Å; N70-L100 HydrophobicContact CB-CD1 3.5Å; N70-L100 HydrophobicContact CB-CG 3.87Å; N70-G101 WeakPolarHBondContact CB-O 3.48Å; N70-G101 PolarHBondContact N-O 2.81Å; N70-G101 PolarHBondContact OD1-N 3.14Å
71F98.9Very high97.9Very high1 Ų134.5 Ų34.50%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-138.4153.8177.3-64-78.9000111.2I7 F80 E81 W85 L100 G101 I102 A103 L124I7-F71 HydrophobicContact CD1-CE1 3.96Å; I7-F71 HydrophobicContact CG2-CD1 4.37Å; I7-F71 HydrophobicContact CG2-CE1 4.29Å; F71-F80 WeakPolarHBondContact CA-O 3.47Å; F71-E81 HydrophobicContact CE1-CG 4.38Å; F71-W85 AromaticContact CE2-CD2 3.53Å; F71-W85 HydrophobicContact CE2-CD2 3.53Å; F71-W85 AromaticContact CE2-CE2 3.66Å; F71-W85 AromaticContact CE2-CE3 3.56Å; F71-W85 HydrophobicContact CE2-CE3 3.56Å; F71-W85 HydrophobicContact CE2-CG 4.19Å; F71-W85 AromaticContact CE2-CH2 3.87Å; F71-W85 HydrophobicContact CE2-CH2 3.87Å; F71-W85 AromaticContact CE2-CZ2 3.85Å; F71-W85 HydrophobicContact CE2-CZ2 3.85Å; F71-W85 AromaticContact CE2-CZ3 3.73Å; F71-W85 HydrophobicContact CE2-CZ3 3.73Å; F71-W85 AromaticContact CZ-CD1 3.78Å; F71-W85 AromaticContact CZ-CD2 3.43Å; F71-W85 HydrophobicContact CZ-CD2 3.43Å; F71-W85 VanDerWaalsContact CZ-CD2 3.43Å; F71-W85 AromaticContact CZ-CE2 3.32Å; F71-W85 AromaticContact CZ-CE3 3.99Å; F71-W85 HydrophobicContact CZ-CE3 3.99Å; F71-W85 AromaticContact CZ-CG 3.73Å; F71-W85 HydrophobicContact CZ-CG 3.73Å; F71-W85 HydrophobicContact CZ-CH2 4.32Å; F71-W85 AromaticContact CZ-CZ2 3.83Å; F71-W85 HydrophobicContact CZ-CZ2 3.83Å; F71-W85 HydrophobicContact CZ-CZ3 4.39Å; F71-W85 AromaticContact CZ-NE1 3.53Å; F71-L100 HydrophobicContact CD2-CD1 4.31Å; F71-L100 HydrophobicContact CD2-CD2 4.09Å; F71-L100 HydrophobicContact CD2-CG 4.39Å; F71-L100 HydrophobicContact CE2-CD1 4.05Å; F71-L100 HydrophobicContact CE2-CD2 4.24Å; F71-G101 PolarHBondContact N-O 3.21Å; F71-G101 VanDerWaalsContact N-O 3.17Å; F71-I102 HydrophobicContact CB-CG1 4.45Å; F71-I102 WeakPolarHBondContact O-CA 3.48Å; F71-A103 PolarHBondContact O-N 3.26Å; F71-L124 HydrophobicContact CB-CD2 3.85Å; F71-L124 HydrophobicContact CD1-CD1 4.4Å; F71-L124 HydrophobicContact CD1-CD2 4.31Å; F71-L124 HydrophobicContact CD2-CD2 3.91Å; F71-L124 HydrophobicContact CE1-CD1 4.45Å; F71-L124 HydrophobicContact CG-CD2 3.75Å
72L98.8Very high98Very high0 Ų027.6 Ų27.60%013%0.134CC..EExtended strand (participates in β ladder)trans-127.7150172.3-57.891.6000109.9T36 V51 I54 I67 Y69 L79 F80 A103 M105T36-L72 HydrophobicContact CG2-CD2 4.36Å; V51-L72 HydrophobicContact CG2-CB 4.5Å; V51-L72 HydrophobicContact CG2-CD2 4.37Å; I54-L72 HydrophobicContact CD1-CD2 3.89Å; I67-L72 HydrophobicContact CD1-CD1 3.68Å; I67-L72 HydrophobicContact CD1-CD2 4.08Å; I67-L72 HydrophobicContact CG1-CD1 4.49Å; Y69-L72 HydrophobicContact CD2-CD2 3.96Å; Y69-L72 HydrophobicContact CD2-CG 4.26Å; L72-L79 CarbonylContact O-C 3.53Å; L72-L79 WeakPolarHBondContact O-CA 3.23Å; L72-F80 HydrophobicContact CB-CB 4.35Å; L72-F80 PolarHBondContact N-O 2.88Å; L72-F80 PolarHBondContact O-N 2.82Å; L72-A103 CarbonylContact C-O 3.54Å; L72-A103 WeakPolarHBondContact CA-O 3.45Å; L72-A103 HydrophobicContact CD2-CB 4.33Å; L72-A103 HydrophobicContact CG-CB 4.25Å; L72-M105 HydrophobicContact CB-CE 4.31Å; L72-M105 HydrophobicContact CB-CG 4.28Å; L72-M105 HydrophobicContact CB-SD 4.31Å; L72-M105 HydrophobicContact CD2-CG 4.21Å; L72-M105 HydrophobicContact CD2-SD 4.32Å
73V98.6Very high98.1Very high0 Ų022.6 Ų22.60%012%0.115CC..EExtended strand (participates in β ladder)trans-128.5129.7176.665.90000110.8S78 L79 A103 F104 M105 A117 V121V73-S78 WeakPolarHBondContact CA-O 3.37Å; V73-L79 HydrophobicContact CB-CD2 3.85Å; V73-L79 HydrophobicContact CG2-CD2 3.89Å; V73-L79 HydrophobicContact CG2-CG 4.49Å; V73-A103 PolarHBondContact N-O 2.96Å; V73-F104 HydrophobicContact CG1-CB 4.08Å; V73-F104 HydrophobicContact CG1-CD1 3.45Å; V73-F104 VanDerWaalsContact CG1-CD1 3.45Å; V73-F104 HydrophobicContact CG1-CD2 3.8Å; V73-F104 HydrophobicContact CG1-CE1 3.72Å; V73-F104 HydrophobicContact CG1-CE2 4.03Å; V73-F104 HydrophobicContact CG1-CG 3.49Å; V73-F104 VanDerWaalsContact CG1-CG 3.49Å; V73-F104 HydrophobicContact CG1-CZ 3.99Å; V73-M105 PolarHBondContact O-N 3.27Å; V73-A117 HydrophobicContact CG1-CB 4.3Å; V73-A117 HydrophobicContact CG2-CB 3.88Å; V73-V121 HydrophobicContact CB-CG2 3.97Å; V73-V121 HydrophobicContact CG1-CG2 3.69Å; V73-V121 HydrophobicContact CG2-CG2 4.23Å
74G97.8Very high98.1Very high1 Ų115.7 Ų15.71%0.018%0.083CC..  trans-79.5165.3174.400000112.8D76 G77 S78 A117G74-D76 PolarHBondContact O-N 2.65Å; G74-G77 PolarHBondContact O-N 2.8Å; G74-S78 PolarHBondContact N-O 3.43Å; G74-A117 WeakPolarHBondContact O-CB 3.45Å
75G95.9Very high98.1Very high8 Ų815.1 Ų15.18%0.0828%0.079CC..THydrogen-bonded Turntrans-65.1-17.8178.700000114C41 S114C41-G75 PolarHBondContact O-N 2.89Å; G75-S114 WeakPolarHBondContact O-CB 3.45Å; G75-S114 PolarHBondContact O-OG 3.04Å
76D94.7Very high98Very high58 Ų5813.9 Ų13.931%0.318%0.078SC..THydrogen-bonded Turntrans-89.1-2173.866.3-15.1000113.8G43 G74 S78G43-D76 WeakPolarHBondContact CA-OD2 3.23Å; G43-D76 PolarHBondContact N-OD2 2.82Å; G74-D76 PolarHBondContact O-N 2.65Å; D76-S78 VanDerWaalsContact CG-OG 3.24Å; D76-S78 WeakPolarHBondContact OD1-CB 3.38Å; D76-S78 PolarHBondContact OD1-N 2.98Å; D76-S78 PolarHBondContact OD1-OG 3.14Å; D76-S78 VanDerWaalsContact OD1-OG 3.07Å; D76-S78 PolarHBondContact OD2-OG 2.96Å
77G96.3Very high98Very high10 Ų1014 Ų1410%0.1038%0.079CC..  trans90.5-1.5-175.700000114.8G74 L79 S120G74-G77 PolarHBondContact O-N 2.8Å; G77-L79 PolarHBondContact O-N 3.33Å; G77-S120 WeakPolarHBondContact CA-OG 3.43Å; G77-S120 VanDerWaalsContact O-CB 3.28Å; G77-S120 WeakPolarHBondContact O-CB 3.44Å; G77-S120 PolarHBondContact O-OG 3.11Å
78S96.8Very high98Very high30 Ų3016.9 Ų16.921%0.219%0.093CC..  trans-60.8120.3176.3-66.30000110.7V73 G74 D76 F80V73-S78 WeakPolarHBondContact CA-O 3.37Å; G74-S78 PolarHBondContact N-O 3.43Å; D76-S78 VanDerWaalsContact CG-OG 3.24Å; D76-S78 WeakPolarHBondContact OD1-CB 3.38Å; D76-S78 PolarHBondContact OD1-N 2.98Å; D76-S78 PolarHBondContact OD1-OG 3.14Å; D76-S78 VanDerWaalsContact OD1-OG 3.07Å; D76-S78 PolarHBondContact OD2-OG 2.96Å; S78-F80 WeakPolarHBondContact O-CD2 3.46Å
79L98.1Very high98Very high5 Ų517 Ų173%0.02610%0.095CC..EExtended strand (participates in β ladder)trans-92.8134.2177.1-73.1166.5000110.4V5 I7 V8 L72 V73 G77 V121 L124V5-L79 HydrophobicContact CG1-CD1 3.26Å; I7-L79 HydrophobicContact CG1-CB 4.35Å; V8-L79 WeakPolarHBondContact CB-O 3.48Å; V8-L79 WeakPolarHBondContact CG2-O 3.47Å; V8-L79 PolarHBondContact N-O 3.34Å; L72-L79 CarbonylContact O-C 3.53Å; L72-L79 WeakPolarHBondContact O-CA 3.23Å; V73-L79 HydrophobicContact CB-CD2 3.85Å; V73-L79 HydrophobicContact CG2-CD2 3.89Å; V73-L79 HydrophobicContact CG2-CG 4.49Å; G77-L79 PolarHBondContact O-N 3.33Å; L79-V121 HydrophobicContact CD2-CG2 4.37Å; L79-L124 HydrophobicContact CD1-CB 4.13Å; L79-L124 HydrophobicContact CD1-CD1 4.33Å; L79-L124 HydrophobicContact CD2-CD2 4.19Å
80F98.8Very high98Very high0 Ų017.1 Ų17.10%010%0.1CC..EExtended strand (participates in β ladder)trans-118.7133.3178.8-68.5-102.1000109.9V8 W13 L44 C47 V51 F71 L72 S78 G82 M105V8-F80 HydrophobicContact CB-CD1 3.73Å; V8-F80 HydrophobicContact CB-CE1 3.94Å; V8-F80 HydrophobicContact CB-CG 4.19Å; V8-F80 HydrophobicContact CG1-CD1 3.82Å; V8-F80 HydrophobicContact CG1-CE1 3.79Å; V8-F80 HydrophobicContact CG2-CD1 4.29Å; V8-F80 HydrophobicContact CG2-CE1 4.11Å; V8-F80 HydrophobicContact CG2-CZ 4.26Å; W13-F80 HydrophobicContact CB-CD1 4.05Å; W13-F80 HydrophobicContact CB-CE1 4.19Å; W13-F80 AromaticContact CD1-CD1 3.95Å; W13-F80 HydrophobicContact CG-CD1 4.16Å; L44-F80 HydrophobicContact CD1-CE1 4.17Å; L44-F80 HydrophobicContact CD1-CZ 3.99Å; C47-F80 HydrophobicContact CB-CE2 3.48Å; C47-F80 VanDerWaalsContact CB-CE2 3.48Å; C47-F80 HydrophobicContact CB-CZ 3.45Å; C47-F80 VanDerWaalsContact CB-CZ 3.45Å; V51-F80 HydrophobicContact CB-CD1 4.47Å; V51-F80 HydrophobicContact CG2-CB 4.01Å; V51-F80 HydrophobicContact CG2-CD1 3.9Å; V51-F80 HydrophobicContact CG2-CD2 4.24Å; V51-F80 HydrophobicContact CG2-CE1 4.43Å; V51-F80 HydrophobicContact CG2-CG 3.79Å; F71-F80 WeakPolarHBondContact CA-O 3.47Å; L72-F80 HydrophobicContact CB-CB 4.35Å; L72-F80 PolarHBondContact N-O 2.88Å; L72-F80 PolarHBondContact O-N 2.82Å; S78-F80 WeakPolarHBondContact O-CD2 3.46Å; F80-G82 PolarHBondContact O-N 3.3Å; F80-M105 HydrophobicContact CD2-CE 3.67Å; F80-M105 HydrophobicContact CE2-CE 3.81Å
81E98.8Very high97.9Very high57 Ų5717.8 Ų17.827%0.26610%0.103SC..EExtended strand (participates in β ladder)trans-73111.4171.2-173.6-173.9-161.500109.3I7 V8 R10 W13 F71I7-E81 HydrophobicContact CG2-CB 3.84Å; V8-E81 PolarHBondContact O-N 3.17Å; R10-E81 HydrophobicContact CG-CB 4.28Å; R10-E81 HydrophobicContact CG-CG 3.99Å; R10-E81 PolarHBondContact N-OE2 2.8Å; W13-E81 WeakPolarHBondContact CZ2-O 3.42Å; W13-E81 PolarHBondContact NE1-O 3Å; F71-E81 HydrophobicContact CE1-CG 4.38Å
82G98.8Very high97.9Very high0 Ų017.8 Ų17.80%010%0.103CC..SBendtrans-82.3-114.2166.300000109.4R10 Y69 N70 F80 G84R10-G82 WeakPolarHBondContact CD-O 3.42Å; R10-G82 PolarHBondContact NH1-O 2.83Å; Y69-G82 WeakPolarHBondContact O-CA 3.38Å; N70-G82 CarbonylContact O-C 3.41Å; N70-G82 VanDerWaalsContact O-CA 3.23Å; N70-G82 WeakPolarHBondContact O-CA 3.35Å; N70-G82 PolarHBondContact O-N 2.74Å; F80-G82 PolarHBondContact O-N 3.3Å; G82-G84 PolarHBondContact O-N 3.37Å
83R98.7Very high97.8Very high24 Ų2427.2 Ų27.29%0.09114%0.144CC..SBendtrans-68.1-20.8170.8-60.1-165-174.7-158-12113.6D66 I67 Y69 N70 V87 M88 A90D66-R83 HydrophobicContact CB-CG 4.4Å; D66-R83 PolarHBondContact O-NH2 3.44Å; D66-R83 VanDerWaalsContact O-NH2 3.15Å; I67-R83 WeakPolarHBondContact O-CG 3.35Å; I67-R83 PolarHBondContact O-NE 2.99Å; Y69-R83 PolarHBondContact O-N 2.84Å; N70-R83 PolarHBondContact O-N 2.79Å; R83-V87 HydrophobicContact CB-CB 4.09Å; R83-V87 HydrophobicContact CB-CG1 3.84Å; R83-V87 WeakPolarHBondContact O-CG2 3.12Å; R83-M88 WeakPolarHBondContact CD-O 3.29Å; R83-M88 PolarHBondContact NH1-O 3.13Å; R83-A90 VanDerWaalsContact NH2-CB 3.33Å
84G98.3Very high97.7Very high0 Ų030.7 Ų30.70%018%0.18CC..  trans78.4-166.5178.400000114.1N70 G82N70-G84 PolarHBondContact ND2-O 3.28Å; N70-G84 PolarHBondContact O-N 3.43Å; G82-G84 PolarHBondContact O-N 3.37Å
85W98Very high97.7Very high46 Ų4633 Ų3317%0.17419%0.19CC..THydrogen-bonded Turntrans-73.3142-176.6-63.3121.2000113F71 V87 L100 L124 F133 I134F71-W85 AromaticContact CE2-CD2 3.53Å; F71-W85 HydrophobicContact CE2-CD2 3.53Å; F71-W85 AromaticContact CE2-CE2 3.66Å; F71-W85 AromaticContact CE2-CE3 3.56Å; F71-W85 HydrophobicContact CE2-CE3 3.56Å; F71-W85 HydrophobicContact CE2-CG 4.19Å; F71-W85 AromaticContact CE2-CH2 3.87Å; F71-W85 HydrophobicContact CE2-CH2 3.87Å; F71-W85 AromaticContact CE2-CZ2 3.85Å; F71-W85 HydrophobicContact CE2-CZ2 3.85Å; F71-W85 AromaticContact CE2-CZ3 3.73Å; F71-W85 HydrophobicContact CE2-CZ3 3.73Å; F71-W85 AromaticContact CZ-CD1 3.78Å; F71-W85 AromaticContact CZ-CD2 3.43Å; F71-W85 HydrophobicContact CZ-CD2 3.43Å; F71-W85 VanDerWaalsContact CZ-CD2 3.43Å; F71-W85 AromaticContact CZ-CE2 3.32Å; F71-W85 AromaticContact CZ-CE3 3.99Å; F71-W85 HydrophobicContact CZ-CE3 3.99Å; F71-W85 AromaticContact CZ-CG 3.73Å; F71-W85 HydrophobicContact CZ-CG 3.73Å; F71-W85 HydrophobicContact CZ-CH2 4.32Å; F71-W85 AromaticContact CZ-CZ2 3.83Å; F71-W85 HydrophobicContact CZ-CZ2 3.83Å; F71-W85 HydrophobicContact CZ-CZ3 4.39Å; F71-W85 AromaticContact CZ-NE1 3.53Å; W85-V87 PolarHBondContact O-N 3.02Å; W85-L100 HydrophobicContact CE3-CD1 3.99Å; W85-L100 HydrophobicContact CE3-CD2 4.2Å; W85-L100 HydrophobicContact CH2-CD2 4.15Å; W85-L100 HydrophobicContact CZ3-CD1 4.1Å; W85-L100 HydrophobicContact CZ3-CD2 3.45Å; W85-L100 VanDerWaalsContact CZ3-CD2 3.45Å; W85-L100 HydrophobicContact CZ3-CG 4.43Å; W85-L124 HydrophobicContact CH2-CD1 3.9Å; W85-L124 HydrophobicContact CH2-CG 3.84Å; W85-L124 HydrophobicContact CZ2-CD1 3.39Å; W85-L124 HydrophobicContact CZ2-CG 3.88Å; W85-F133 HydrophobicContact CB-CB 4.36Å; W85-F133 HydrophobicContact CB-CD1 3.65Å; W85-F133 HydrophobicContact CB-CD2 3.8Å; W85-F133 HydrophobicContact CB-CE1 3.73Å; W85-F133 HydrophobicContact CB-CE2 3.89Å; W85-F133 HydrophobicContact CB-CG 3.68Å; W85-F133 HydrophobicContact CB-CZ 3.86Å; W85-F133 HydrophobicContact CD2-CB 4.1Å; W85-F133 AromaticContact CD2-CD2 3.91Å; W85-F133 HydrophobicContact CD2-CD2 3.91Å; W85-F133 HydrophobicContact CD2-CG 4.08Å; W85-F133 HydrophobicContact CE3-CB 3.62Å; W85-F133 HydrophobicContact CE3-CD2 4.32Å; W85-F133 HydrophobicContact CE3-CG 4.1Å; W85-F133 HydrophobicContact CG-CB 4.44Å; W85-F133 HydrophobicContact CG-CD1 4.39Å; W85-F133 AromaticContact CG-CD2 3.68Å; W85-F133 HydrophobicContact CG-CD2 3.68Å; W85-F133 AromaticContact CG-CE2 3.93Å; W85-F133 HydrophobicContact CG-CE2 3.93Å; W85-F133 AromaticContact CG-CG 3.93Å; W85-F133 HydrophobicContact CG-CG 3.93Å; W85-F133 HydrophobicContact CG-CZ 4.39Å; W85-F133 HydrophobicContact CZ3-CB 4.22Å; W85-I134 HydrophobicContact CH2-CD1 4.13Å; W85-I134 HydrophobicContact CZ3-CD1 3.82Å; W85-I134 HydrophobicContact CZ3-CG1 3.92Å
86G97.8Very high97.8Very high23 Ų2333.9 Ų33.924%0.23719%0.193CC..THydrogen-bonded Turntrans6910.6173.500000115.3S23 L24S23-G86 CarbonylContact C-O 3.46Å; S23-G86 WeakPolarHBondContact CA-O 3.46Å; L24-G86 PolarHBondContact N-O 2.68Å
87V98.4Very high97.9Very high9 Ų933.1 Ų33.16%0.05520%0.199CC..BIsolated β-bridgetrans-111.5135.9-178.5-177.10000110K21 D22 N70 R83 W85 G89K21-V87 HydrophobicContact CD-CG2 4.36Å; K21-V87 HydrophobicContact CG-CG1 3.86Å; K21-V87 HydrophobicContact CG-CG2 4.18Å; D22-V87 CarbonylContact O-C 3.41Å; D22-V87 WeakPolarHBondContact O-CA 2.98Å; D22-V87 WeakPolarHBondContact O-CG1 3.38Å; N70-V87 PolarHBondContact ND2-O 3.39Å; R83-V87 HydrophobicContact CB-CB 4.09Å; R83-V87 HydrophobicContact CB-CG1 3.84Å; R83-V87 WeakPolarHBondContact O-CG2 3.12Å; W85-V87 PolarHBondContact O-N 3.02Å; V87-G89 PolarHBondContact O-N 3.47Å
88M98.5Very high97.9Very high60 Ų6034.7 Ų34.730%0.29621%0.205SC..  trans-66.1128.2177.9-169178.8-57.200111.1D22 L24 R83 N96D22-M88 HydrophobicContact CB-CB 4.18Å; D22-M88 PolarHBondContact O-N 3.2Å; L24-M88 HydrophobicContact CD2-CB 4.19Å; L24-M88 HydrophobicContact CD2-CG 4.39Å; R83-M88 WeakPolarHBondContact CD-O 3.29Å; R83-M88 PolarHBondContact NH1-O 3.13Å; M88-N96 HydrophobicContact CG-CB 3.89Å; M88-N96 WeakPolarHBondContact CG-O 3.42Å; M88-N96 HydrophobicContact SD-CB 4.44Å
89G98.1Very high98Very high4 Ų433.2 Ų33.24%0.04120%0.195CC..  trans-73.6176.5176.300000114.9V87 N96V87-G89 PolarHBondContact O-N 3.47Å; G89-N96 VanDerWaalsContact O-CB 3.27Å; G89-N96 WeakPolarHBondContact O-CB 3.4Å; G89-N96 VanDerWaalsContact O-CG 3.22Å; G89-N96 PolarHBondContact O-ND2 2.92Å
90A98.3Very high98Very high24 Ų2433 Ų3320%0.19819%0.194CC..SBendtrans-131.133.316300000111.1F64 G68 R83F64-A90 HydrophobicContact CD1-CB 4.42Å; F64-A90 HydrophobicContact CD2-CB 3.7Å; F64-A90 HydrophobicContact CE2-CB 3.79Å; F64-A90 WeakPolarHBondContact CE2-O 3.48Å; F64-A90 HydrophobicContact CG-CB 4.04Å; F64-A90 HydrophobicContact CZ-CB 4.2Å; G68-A90 CarbonylContact O-C 3.58Å; G68-A90 PolarHBondContact O-N 3.23Å; R83-A90 VanDerWaalsContact NH2-CB 3.33Å
91H98.1Very high98Very high14 Ų1433 Ų337%0.06519%0.194CC..SBendtrans-94.5-30-170.25676.3000113.5H34 G68 Y69 N96 S99 G101 H143H34-H91 PolarHBondContact CE1-O 3.16Å; H34-H91 AromaticContact NE2-CG 3.76Å; H34-H91 AromaticContact NE2-ND1 3.37Å; H34-H91 PolarHBondContact NE2-ND1 2.9Å; G68-H91 WeakPolarHBondContact O-CB 3.48Å; G68-H91 PolarHBondContact O-N 3.12Å; Y69-H91 HydrophobicContact CD1-CB 3.64Å; Y69-H91 HydrophobicContact CE1-CB 3.99Å; H91-N96 PolarHBondContact N-OD1 3.07Å; H91-N96 VanDerWaalsContact N-OD1 3.07Å; H91-S99 PolarHBondContact CE1-OG 3.1Å; H91-S99 VanDerWaalsContact CE1-OG 3.3Å; H91-G101 VanDerWaalsContact CD2-CA 3.45Å; H91-G101 WeakPolarHBondContact CD2-CA 3.41Å; H91-G101 WeakPolarHBondContact NE2-CA 3.23Å; H91-G101 PolarHBondContact NE2-N 2.91Å; H91-G101 VanDerWaalsContact NE2-N 3.13Å; H91-H143 PolarHBondContact O-CE1 3.26Å; H91-H143 VanDerWaalsContact O-CE1 3.27Å
92T97.8Very high98Very high1 Ų130.3 Ų30.31%0.00618%0.181CC..SBendtrans-139101.8-175.5-55.30000109.8H34 G94 H95 N96 L146H34-T92 PolarHBondContact CE1-OG1 2.9Å; H34-T92 PolarHBondContact NE2-OG1 3.21Å; H34-T92 VanDerWaalsContact NE2-OG1 3.12Å; T92-G94 PolarHBondContact O-N 3.27Å; T92-H95 HydrophobicContact CG2-CB 3.79Å; T92-H95 PolarHBondContact O-N 3.03Å; T92-N96 PolarHBondContact N-OD1 3.44Å; T92-N96 PolarHBondContact O-N 2.97Å; T92-N96 PolarHBondContact O-ND2 3.21Å; T92-N96 PolarHBondContact O-OD1 3.13Å; T92-N96 VanDerWaalsContact O-OD1 3.12Å; T92-L146 HydrophobicContact CG2-CB 3.97Å; T92-L146 HydrophobicContact CG2-CD1 4.26Å
93K96.4Very high98Very high198 Ų19830.3 Ų30.386%0.86118%0.181SC*.THydrogen-bonded Turntrans-53.3128.3-177.4-172.9178.3-178.31790110.7H95K93-H95 VanDerWaalsContact C-N 3.28Å; K93-H95 PolarHBondContact O-CD2 3.32Å; K93-H95 PolarHBondContact O-N 3.5Å
94G97Very high98Very high72 Ų7229.3 Ų29.374%0.74218%0.177SC*.THydrogen-bonded Turntrans82.4-3.9-179.100000115.2T92T92-G94 PolarHBondContact O-N 3.27Å
95H97.6Very high98Very high50 Ų5029.3 Ų29.323%0.23118%0.177CC..THydrogen-bonded Turntrans-130.66.9-175-63.1-67.4000114.2R30 T92 K93 S99 L146R30-H95 PolarHBondContact NH1-ND1 3.4Å; R30-H95 PolarHBondContact NH2-ND1 3.25Å; T92-H95 HydrophobicContact CG2-CB 3.79Å; T92-H95 PolarHBondContact O-N 3.03Å; K93-H95 VanDerWaalsContact C-N 3.28Å; K93-H95 PolarHBondContact O-CD2 3.32Å; K93-H95 PolarHBondContact O-N 3.5Å; H95-S99 WeakPolarHBondContact O-CB 3.36Å; H95-S99 PolarHBondContact O-OG 3.27Å; H95-L146 HydrophobicContact CB-CD1 4.33Å
96N97.8Very high98Very high27 Ų2727.1 Ų27.114%0.14417%0.169CC..G310 helixtrans-74.2-24.3-176.6-60.8-45.8000114L24 M88 G89 H91 T92 D98L24-N96 WeakPolarHBondContact CD2-O 3.46Å; M88-N96 HydrophobicContact CG-CB 3.89Å; M88-N96 WeakPolarHBondContact CG-O 3.42Å; M88-N96 HydrophobicContact SD-CB 4.44Å; G89-N96 VanDerWaalsContact O-CB 3.27Å; G89-N96 WeakPolarHBondContact O-CB 3.4Å; G89-N96 VanDerWaalsContact O-CG 3.22Å; G89-N96 PolarHBondContact O-ND2 2.92Å; H91-N96 PolarHBondContact N-OD1 3.07Å; H91-N96 VanDerWaalsContact N-OD1 3.07Å; T92-N96 PolarHBondContact N-OD1 3.44Å; T92-N96 PolarHBondContact O-N 2.97Å; T92-N96 PolarHBondContact O-ND2 3.21Å; T92-N96 PolarHBondContact O-OD1 3.13Å; T92-N96 VanDerWaalsContact O-OD1 3.12Å; N96-D98 VanDerWaalsContact C-N 3.26Å; N96-D98 PolarHBondContact O-N 3.33Å
97G97.3Very high98Very high41 Ų4127.9 Ų27.942%0.42317%0.167SC..G310 helixtrans-73.1-10.9-167.400000116.1L24L24-G97 WeakPolarHBondContact CD2-O 3.22Å
98D97.1Very high98Very high43 Ų4327.8 Ų27.823%0.2317%0.166CC..G310 helixtrans-141.811-175.866.9-22000112.3Q29 R30 N96Q29-D98 PolarHBondContact N-O 3.44Å; R30-D98 IonicContact CZ-OD1 3.39Å; R30-D98 IonicContact CZ-OD2 2.83Å; R30-D98 VanDerWaalsContact CZ-OD2 3.25Å; R30-D98 PolarHBondContact N-O 3.22Å; R30-D98 IonicContact NE-OD1 3.18Å; R30-D98 PolarHBondContact NE-OD1 3.24Å; R30-D98 IonicContact NE-OD2 3.33Å; R30-D98 PolarHBondContact NE-OD2 3.19Å; R30-D98 IonicContact NH2-OD1 2.59Å; R30-D98 PolarHBondContact NH2-OD1 2.94Å; R30-D98 IonicContact NH2-OD2 2.87Å; R30-D98 PolarHBondContact NH2-OD2 3.38Å; N96-D98 VanDerWaalsContact C-N 3.26Å; N96-D98 PolarHBondContact O-N 3.33Å
99S98.3Very high97.9Very high0 Ų027 Ų270%016%0.163CC..EExtended strand (participates in β ladder)trans-131.7154.4-173.477.10000113.9R30 H91 H95R30-S99 CarbonylContact O-C 3.59Å; R30-S99 WeakPolarHBondContact O-CA 3.38Å; R30-S99 WeakPolarHBondContact O-CB 3.47Å; H91-S99 PolarHBondContact CE1-OG 3.1Å; H91-S99 VanDerWaalsContact CE1-OG 3.3Å; H95-S99 WeakPolarHBondContact O-CB 3.36Å; H95-S99 PolarHBondContact O-OG 3.27Å
100L98.4Very high97.6Very high1 Ų132.8 Ų32.81%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-104.3123.4173.8-167.485.2000109.8A28 R30 V31 V32 N70 F71 W85 I102 I134A28-L100 HydrophobicContact CB-CB 4.07Å; R30-L100 PolarHBondContact O-N 2.98Å; V31-L100 WeakPolarHBondContact CA-O 3.41Å; V31-L100 HydrophobicContact CG2-CB 4.33Å; V32-L100 PolarHBondContact N-O 2.81Å; N70-L100 HydrophobicContact CB-CD1 3.5Å; N70-L100 HydrophobicContact CB-CG 3.87Å; F71-L100 HydrophobicContact CD2-CD1 4.31Å; F71-L100 HydrophobicContact CD2-CD2 4.09Å; F71-L100 HydrophobicContact CD2-CG 4.39Å; F71-L100 HydrophobicContact CE2-CD1 4.05Å; F71-L100 HydrophobicContact CE2-CD2 4.24Å; W85-L100 HydrophobicContact CE3-CD1 3.99Å; W85-L100 HydrophobicContact CE3-CD2 4.2Å; W85-L100 HydrophobicContact CH2-CD2 4.15Å; W85-L100 HydrophobicContact CZ3-CD1 4.1Å; W85-L100 HydrophobicContact CZ3-CD2 3.45Å; W85-L100 VanDerWaalsContact CZ3-CD2 3.45Å; W85-L100 HydrophobicContact CZ3-CG 4.43Å; L100-I102 HydrophobicContact CD2-CD1 4.16Å; L100-I102 HydrophobicContact CD2-CG1 4.16Å; L100-I134 HydrophobicContact CD2-CD1 4.05Å; L100-I134 HydrophobicContact CD2-CG1 4.46Å
101G98.8Very high97.4Very high0 Ų035 Ų350%020%0.202CC..EExtended strand (participates in β ladder)trans-94.1122176.400000112.6V32 N70 F71 H91V32-G101 WeakPolarHBondContact O-CA 3.44Å; N70-G101 WeakPolarHBondContact CB-O 3.48Å; N70-G101 PolarHBondContact N-O 2.81Å; N70-G101 PolarHBondContact OD1-N 3.14Å; F71-G101 PolarHBondContact N-O 3.21Å; F71-G101 VanDerWaalsContact N-O 3.17Å; H91-G101 VanDerWaalsContact CD2-CA 3.45Å; H91-G101 WeakPolarHBondContact CD2-CA 3.41Å; H91-G101 WeakPolarHBondContact NE2-CA 3.23Å; H91-G101 PolarHBondContact NE2-N 2.91Å; H91-G101 VanDerWaalsContact NE2-N 3.13Å
102I98.9Very high97.3Very high0 Ų039.6 Ų39.60%023%0.231CC..EExtended strand (participates in β ladder)trans-117.2121175.7-54.6174000109V31 V32 I33 H34 F71 L100 V121 L124 L125V31-I102 HydrophobicContact CG1-CD1 3.83Å; V31-I102 HydrophobicContact CG1-CG1 4.3Å; V32-I102 PolarHBondContact O-N 2.92Å; I33-I102 WeakPolarHBondContact CA-O 3.34Å; I33-I102 HydrophobicContact CD1-CB 4.05Å; I33-I102 HydrophobicContact CD1-CD1 4.36Å; H34-I102 PolarHBondContact N-O 3.29Å; F71-I102 HydrophobicContact CB-CG1 4.45Å; F71-I102 WeakPolarHBondContact O-CA 3.48Å; L100-I102 HydrophobicContact CD2-CD1 4.16Å; L100-I102 HydrophobicContact CD2-CG1 4.16Å; I102-V121 HydrophobicContact CD1-CG1 4.05Å; I102-V121 HydrophobicContact CG2-CG1 4.29Å; I102-V121 HydrophobicContact CG2-CG2 3.99Å; I102-L124 HydrophobicContact CD1-CD2 4.02Å; I102-L125 HydrophobicContact CD1-CD2 3.86Å
103A98.8Very high97.3Very high0 Ų040.3 Ų40.30%024%0.235CC..EExtended strand (participates in β ladder)trans-105.5127.6178.300000112.7H34 T36 Y69 F71 L72 V73H34-A103 HydrophobicContact CB-CB 4Å; H34-A103 WeakPolarHBondContact O-CA 3.28Å; T36-A103 HydrophobicContact CG2-CB 4.22Å; Y69-A103 HydrophobicContact CD1-CB 3.69Å; Y69-A103 HydrophobicContact CD2-CB 3.63Å; Y69-A103 HydrophobicContact CE1-CB 3.85Å; Y69-A103 HydrophobicContact CE2-CB 3.78Å; Y69-A103 HydrophobicContact CG-CB 3.57Å; F71-A103 PolarHBondContact O-N 3.26Å; L72-A103 CarbonylContact C-O 3.54Å; L72-A103 WeakPolarHBondContact CA-O 3.45Å; L72-A103 HydrophobicContact CD2-CB 4.33Å; L72-A103 HydrophobicContact CG-CB 4.25Å; V73-A103 PolarHBondContact N-O 2.96Å
104F98.8Very high97.3Very high2 Ų232.2 Ų32.21%0.00920%0.204CC..EExtended strand (participates in β ladder)trans-81.9123.8166-73.2-114.2000108.9I33 H34 H35 T36 V73 G106 F108 P113 A117 I118 V121 L156 L163I33-F104 HydrophobicContact CG2-CD2 3.92Å; I33-F104 HydrophobicContact CG2-CE2 3.85Å; H34-F104 PolarHBondContact O-N 3Å; H35-F104 CarbonylContact C-O 3.51Å; H35-F104 VanDerWaalsContact CA-O 3.24Å; H35-F104 WeakPolarHBondContact CA-O 3.5Å; T36-F104 PolarHBondContact N-O 3.48Å; V73-F104 HydrophobicContact CG1-CB 4.08Å; V73-F104 HydrophobicContact CG1-CD1 3.45Å; V73-F104 VanDerWaalsContact CG1-CD1 3.45Å; V73-F104 HydrophobicContact CG1-CD2 3.8Å; V73-F104 HydrophobicContact CG1-CE1 3.72Å; V73-F104 HydrophobicContact CG1-CE2 4.03Å; V73-F104 HydrophobicContact CG1-CG 3.49Å; V73-F104 VanDerWaalsContact CG1-CG 3.49Å; V73-F104 HydrophobicContact CG1-CZ 3.99Å; F104-G106 PolarHBondContact O-N 3.13Å; F104-F108 HydrophobicContact CB-CD2 4.16Å; F104-F108 HydrophobicContact CB-CE2 3.31Å; F104-F108 HydrophobicContact CB-CZ 3.82Å; F104-F108 HydrophobicContact CD1-CZ 4.5Å; F104-F108 HydrophobicContact CG-CE2 4.35Å; F104-P113 HydrophobicContact CD1-CB 4.39Å; F104-P113 HydrophobicContact CE1-CB 4.43Å; F104-A117 HydrophobicContact CD1-CB 3.91Å; F104-A117 HydrophobicContact CE1-CB 3.7Å; F104-I118 HydrophobicContact CE1-CD1 3.86Å; F104-I118 HydrophobicContact CE1-CG1 4.47Å; F104-I118 HydrophobicContact CZ-CD1 3.89Å; F104-V121 HydrophobicContact CE1-CG2 4.35Å; F104-V121 HydrophobicContact CE2-CB 4.46Å; F104-V121 HydrophobicContact CE2-CG1 4.44Å; F104-V121 HydrophobicContact CE2-CG2 3.85Å; F104-V121 HydrophobicContact CZ-CB 4.04Å; F104-V121 HydrophobicContact CZ-CG1 4.41Å; F104-V121 HydrophobicContact CZ-CG2 3.59Å; F104-L156 HydrophobicContact CB-CD2 3.65Å; F104-L156 HydrophobicContact CD1-CD1 4.23Å; F104-L156 HydrophobicContact CD1-CD2 4.24Å; F104-L156 HydrophobicContact CD2-CD1 4.19Å; F104-L156 HydrophobicContact CD2-CD2 3.65Å; F104-L156 HydrophobicContact CE1-CD1 4.18Å; F104-L156 HydrophobicContact CE2-CD1 4.15Å; F104-L156 HydrophobicContact CE2-CD2 4.38Å; F104-L156 HydrophobicContact CG-CD1 4.25Å; F104-L156 HydrophobicContact CG-CD2 3.58Å; F104-L156 HydrophobicContact CZ-CD1 4.15Å; F104-L163 HydrophobicContact CZ-CD1 4.49Å
105M98.4Very high97.3Very high1 Ų137 Ų371%0.00520%0.204CC..SBendtrans-73.7111.1177.9-67.4-173.1-7800109.8T36 C41 C47 E50 V51 L72 V73 F80T36-M105 HydrophobicContact CG2-CB 4.41Å; T36-M105 HydrophobicContact CG2-CG 3.94Å; T36-M105 WeakPolarHBondContact OG1-CA 3.35Å; C41-M105 VanDerWaalsContact SG-CE 3.6Å; C47-M105 HydrophobicContact CB-CE 3.86Å; E50-M105 HydrophobicContact CB-SD 4.3Å; E50-M105 HydrophobicContact CG-SD 4.26Å; V51-M105 HydrophobicContact CG2-CE 3.94Å; V51-M105 HydrophobicContact CG2-SD 3.49Å; V51-M105 WeakPolarHBondContact CG2-SD 3.39Å; L72-M105 HydrophobicContact CB-CE 4.31Å; L72-M105 HydrophobicContact CB-CG 4.28Å; L72-M105 HydrophobicContact CB-SD 4.31Å; L72-M105 HydrophobicContact CD2-CG 4.21Å; L72-M105 HydrophobicContact CD2-SD 4.32Å; V73-M105 PolarHBondContact O-N 3.27Å; F80-M105 HydrophobicContact CD2-CE 3.67Å; F80-M105 HydrophobicContact CE2-CE 3.81Å
106G97.8Very high97.2Very high0 Ų039.5 Ų39.50%022%0.216CC..SBendtrans144.3-179.3-17400000113.9T36 A37 L38 F104T36-G106 PolarHBondContact N-O 2.83Å; T36-G106 PolarHBondContact OG1-N 3.39Å; A37-G106 WeakPolarHBondContact CA-O 3.24Å; A37-G106 PolarHBondContact N-O 3.28Å; L38-G106 CarbonylContact O-C 3.58Å; L38-G106 VanDerWaalsContact O-CA 3.3Å; L38-G106 WeakPolarHBondContact O-CA 3.47Å; F104-G106 PolarHBondContact O-N 3.13Å
107N98.1Very high97.2Very high38 Ų3838.3 Ų38.320%0.20321%0.21CC..  trans-121.790.4179-172.7-15.5000111.6L38 N109 N110 D111L38-N107 WeakPolarHBondContact O-CB 3.32Å; L38-N107 PolarHBondContact O-N 3Å; L38-N107 VanDerWaalsContact O-N 3.09Å; N107-N109 PolarHBondContact O-N 3.05Å; N107-N109 WeakPolarHBondContact OD1-CB 3.28Å; N107-N109 PolarHBondContact OD1-N 3.5Å; N107-N109 PolarHBondContact OD1-ND2 3.34Å; N107-N110 PolarHBondContact O-N 3.06Å; N107-N110 VanDerWaalsContact O-N 3.11Å; N107-D111 PolarHBondContact O-N 3.08Å
108F98.3Very high97.2Very high8 Ų836.8 Ų36.84%0.03519%0.192CC..THydrogen-bonded Turntrans-83.317.8-176.6-51.1-78.5000115.2H35 F104 N110 D111 P113 G153 E154 N155 L156H35-F108 HydrophobicContact CB-CD2 3.59Å; H35-F108 HydrophobicContact CB-CE2 4.05Å; H35-F108 PolarHBondContact ND1-N 2.86Å; F104-F108 HydrophobicContact CB-CD2 4.16Å; F104-F108 HydrophobicContact CB-CE2 3.31Å; F104-F108 HydrophobicContact CB-CZ 3.82Å; F104-F108 HydrophobicContact CD1-CZ 4.5Å; F104-F108 HydrophobicContact CG-CE2 4.35Å; F108-N110 VanDerWaalsContact C-N 3.27Å; F108-D111 VanDerWaalsContact CA-O 3.3Å; F108-D111 WeakPolarHBondContact CA-O 3.18Å; F108-D111 HydrophobicContact CD1-CB 4.15Å; F108-D111 HydrophobicContact CE1-CB 4.43Å; F108-P113 HydrophobicContact CD1-CB 4.13Å; F108-P113 VanDerWaalsContact CE1-CA 3.47Å; F108-P113 HydrophobicContact CE1-CB 3.98Å; F108-G153 CarbonylContact O-C 3.11Å; F108-E154 PolarHBondContact O-N 3.18Å; F108-N155 WeakPolarHBondContact O-CB 3.49Å; F108-N155 PolarHBondContact O-N 2.99Å; F108-L156 HydrophobicContact CB-CB 3.53Å; F108-L156 HydrophobicContact CD2-CB 4.05Å; F108-L156 HydrophobicContact CD2-CD2 3.58Å; F108-L156 HydrophobicContact CD2-CG 4.46Å; F108-L156 HydrophobicContact CE2-CD2 4.03Å; F108-L156 HydrophobicContact CG-CB 3.76Å; F108-L156 HydrophobicContact CG-CD2 4.15Å
109N97Very high97.2Very high43 Ų4339.2 Ų39.223%0.2320%0.204CC..THydrogen-bonded Turntrans-72.8-29.1155.6-69.7-53.1000110.8N107 G153N107-N109 PolarHBondContact O-N 3.05Å; N107-N109 WeakPolarHBondContact OD1-CB 3.28Å; N107-N109 PolarHBondContact OD1-N 3.5Å; N107-N109 PolarHBondContact OD1-ND2 3.34Å; N109-G153 VanDerWaalsContact OD1-CA 3.28Å; N109-G153 WeakPolarHBondContact OD1-CA 3.22Å
110N91.8Very high97.1Very high126 Ų12640.1 Ų40.167%0.67421%0.211SC*.THydrogen-bonded Turntrans-113.9-40.3-175.7-56.6-31.2000111.3N107 F108N107-N110 PolarHBondContact O-N 3.06Å; N107-N110 VanDerWaalsContact O-N 3.11Å; F108-N110 VanDerWaalsContact C-N 3.27Å
111D94Very high97.1Very high71 Ų7140 Ų4038%0.3821%0.21SC..SBendtrans-91.8160.6-177.1-60.5-32.3000111.8N107 F108 N155N107-D111 PolarHBondContact O-N 3.08Å; F108-D111 VanDerWaalsContact CA-O 3.3Å; F108-D111 WeakPolarHBondContact CA-O 3.18Å; F108-D111 HydrophobicContact CD1-CB 4.15Å; F108-D111 HydrophobicContact CE1-CB 4.43Å; D111-N155 VanDerWaalsContact O-CB 3.26Å; D111-N155 WeakPolarHBondContact O-CB 3.43Å; D111-N155 PolarHBondContact O-ND2 2.91Å
112T96Very high97Very high110 Ų11042.8 Ų42.868%0.67522%0.222SC*.PPolyproline II helixtrans-103134.7172.3-61.20000109.2S114T112-S114 PolarHBondContact O-N 2.92Å
113P96.8Very high96.8Very high15 Ų1545.7 Ų45.710%0.09724%0.236CC..PPolyproline II helixtrans-61.2136.1175.627.7-36000110.7F104 F108 I118 L156 A159F104-P113 HydrophobicContact CD1-CB 4.39Å; F104-P113 HydrophobicContact CE1-CB 4.43Å; F108-P113 HydrophobicContact CD1-CB 4.13Å; F108-P113 VanDerWaalsContact CE1-CA 3.47Å; F108-P113 HydrophobicContact CE1-CB 3.98Å; P113-I118 HydrophobicContact CB-CD1 4.15Å; P113-I118 HydrophobicContact CB-CG1 4.23Å; P113-I118 HydrophobicContact CG-CD1 4.32Å; P113-L156 HydrophobicContact CB-CD1 3.97Å; P113-L156 HydrophobicContact CG-CB 4.38Å; P113-L156 HydrophobicContact CG-CD1 3.97Å; P113-A159 HydrophobicContact CG-CB 3.96Å
114S97.1Very high96.7Very high28 Ų2845.7 Ų45.720%0.19624%0.236CC..PPolyproline II helixtrans-68.7154.7177.771.40000110.9G75 T112 E116 A117 I118G75-S114 WeakPolarHBondContact O-CB 3.45Å; G75-S114 PolarHBondContact O-OG 3.04Å; T112-S114 PolarHBondContact O-N 2.92Å; S114-E116 WeakPolarHBondContact CB-OE2 3.44Å; S114-E116 PolarHBondContact O-N 2.8Å; S114-A117 PolarHBondContact O-N 2.85Å; S114-A117 VanDerWaalsContact OG-CB 3.25Å; S114-A117 WeakPolarHBondContact OG-CB 3.28Å; S114-A117 PolarHBondContact OG-N 3.21Å; S114-A117 VanDerWaalsContact OG-N 3.11Å; S114-I118 WeakPolarHBondContact O-CG1 3.48Å; S114-I118 PolarHBondContact O-N 3.28Å; S114-I118 VanDerWaalsContact O-N 3.14Å
115K96.8Very high96.7Very high172 Ų17245.6 Ų45.675%0.74824%0.235SC*.Hα-helixtrans-65.9-33.6178.4-68.3179.8180176.90110.8I118 L119K115-I118 PolarHBondContact O-N 3.1Å; K115-L119 VanDerWaalsContact O-CB 3.32Å; K115-L119 WeakPolarHBondContact O-CB 3.46Å; K115-L119 PolarHBondContact O-N 2.87Å
116E96Very high96.5Very high104 Ų10448.1 Ų48.149%0.48625%0.251SS..Hα-helixtrans-65.2-44.9178.9-61.470.4-154.500110.8S114 L119 S120S114-E116 WeakPolarHBondContact CB-OE2 3.44Å; S114-E116 PolarHBondContact O-N 2.8Å; E116-L119 PolarHBondContact O-N 2.88Å; E116-S120 WeakPolarHBondContact O-CB 3.39Å; E116-S120 PolarHBondContact O-N 2.81Å; E116-S120 PolarHBondContact O-OG 3.33Å
117A97.1Very high96.4Very high2 Ų249 Ų492%0.01726%0.257CS..Hα-helixtrans-64.6-45.5175.700000111.7V73 G74 F104 S114 S120 V121V73-A117 HydrophobicContact CG1-CB 4.3Å; V73-A117 HydrophobicContact CG2-CB 3.88Å; G74-A117 WeakPolarHBondContact O-CB 3.45Å; F104-A117 HydrophobicContact CD1-CB 3.91Å; F104-A117 HydrophobicContact CE1-CB 3.7Å; S114-A117 PolarHBondContact O-N 2.85Å; S114-A117 VanDerWaalsContact OG-CB 3.25Å; S114-A117 WeakPolarHBondContact OG-CB 3.28Å; S114-A117 PolarHBondContact OG-N 3.21Å; S114-A117 VanDerWaalsContact OG-N 3.11Å; A117-S120 PolarHBondContact O-N 3.24Å; A117-V121 WeakPolarHBondContact O-CG2 3.49Å; A117-V121 PolarHBondContact O-N 2.75Å
118I97.7Very high96.3Very high8 Ų847.1 Ų47.14%0.04125%0.247CC..Hα-helixtrans-58.6-51.2175.5-66.7-64.3000110.4F104 P113 S114 K115 S120 V121 K122 L156 A159 Q162 L163F104-I118 HydrophobicContact CE1-CD1 3.86Å; F104-I118 HydrophobicContact CE1-CG1 4.47Å; F104-I118 HydrophobicContact CZ-CD1 3.89Å; P113-I118 HydrophobicContact CB-CD1 4.15Å; P113-I118 HydrophobicContact CB-CG1 4.23Å; P113-I118 HydrophobicContact CG-CD1 4.32Å; S114-I118 WeakPolarHBondContact O-CG1 3.48Å; S114-I118 PolarHBondContact O-N 3.28Å; S114-I118 VanDerWaalsContact O-N 3.14Å; K115-I118 PolarHBondContact O-N 3.1Å; I118-S120 VanDerWaalsContact C-N 3.33Å; I118-S120 PolarHBondContact O-N 3.25Å; I118-V121 PolarHBondContact O-N 3.18Å; I118-K122 HydrophobicContact CG2-CD 4.34Å; I118-K122 HydrophobicContact CG2-CG 4.44Å; I118-K122 WeakPolarHBondContact O-CG 3.36Å; I118-K122 PolarHBondContact O-N 3.45Å; I118-L156 HydrophobicContact CD1-CD1 4.19Å; I118-A159 HydrophobicContact CD1-CB 4.41Å; I118-Q162 HydrophobicContact CG2-CB 4.06Å; I118-L163 HydrophobicContact CD1-CD2 4.28Å; I118-L163 HydrophobicContact CG2-CD2 3.98Å
119L95.9Very high96.2Very high94 Ų9448.1 Ų48.149%0.49225%0.253SS..Hα-helixtrans-59.6-43.1-178.9-179.562.3000112.1K115 E116 V121 K122 Q123K115-L119 VanDerWaalsContact O-CB 3.32Å; K115-L119 WeakPolarHBondContact O-CB 3.46Å; K115-L119 PolarHBondContact O-N 2.87Å; E116-L119 PolarHBondContact O-N 2.88Å; L119-V121 PolarHBondContact O-N 2.88Å; L119-K122 WeakPolarHBondContact O-CB 3.28Å; L119-K122 PolarHBondContact O-N 2.88Å; L119-Q123 WeakPolarHBondContact O-CG 3.39Å; L119-Q123 PolarHBondContact O-N 3.39Å
120S96.4Very high96.1Very high19 Ų1952.7 Ų52.713%0.13328%0.277CS..Hα-helixtrans-64.4-42180-55.80000111.2G77 E116 A117 I118 Q123 L124G77-S120 WeakPolarHBondContact CA-OG 3.43Å; G77-S120 VanDerWaalsContact O-CB 3.28Å; G77-S120 WeakPolarHBondContact O-CB 3.44Å; G77-S120 PolarHBondContact O-OG 3.11Å; E116-S120 WeakPolarHBondContact O-CB 3.39Å; E116-S120 PolarHBondContact O-N 2.81Å; E116-S120 PolarHBondContact O-OG 3.33Å; A117-S120 PolarHBondContact O-N 3.24Å; I118-S120 VanDerWaalsContact C-N 3.33Å; I118-S120 PolarHBondContact O-N 3.25Å; S120-Q123 PolarHBondContact O-N 2.94Å; S120-L124 WeakPolarHBondContact O-CB 3.41Å; S120-L124 PolarHBondContact O-N 3.47Å
121V97.8Very high96.3Very high0 Ų051.8 Ų51.80%027%0.269CS..Hα-helixtrans-65.4-39.7173.7173.90000111.5V73 L79 I102 F104 A117 I118 L119 Q123 L124 L125 L163V73-V121 HydrophobicContact CB-CG2 3.97Å; V73-V121 HydrophobicContact CG1-CG2 3.69Å; V73-V121 HydrophobicContact CG2-CG2 4.23Å; L79-V121 HydrophobicContact CD2-CG2 4.37Å; I102-V121 HydrophobicContact CD1-CG1 4.05Å; I102-V121 HydrophobicContact CG2-CG1 4.29Å; I102-V121 HydrophobicContact CG2-CG2 3.99Å; F104-V121 HydrophobicContact CE1-CG2 4.35Å; F104-V121 HydrophobicContact CE2-CB 4.46Å; F104-V121 HydrophobicContact CE2-CG1 4.44Å; F104-V121 HydrophobicContact CE2-CG2 3.85Å; F104-V121 HydrophobicContact CZ-CB 4.04Å; F104-V121 HydrophobicContact CZ-CG1 4.41Å; F104-V121 HydrophobicContact CZ-CG2 3.59Å; A117-V121 WeakPolarHBondContact O-CG2 3.49Å; A117-V121 PolarHBondContact O-N 2.75Å; I118-V121 PolarHBondContact O-N 3.18Å; L119-V121 PolarHBondContact O-N 2.88Å; V121-Q123 VanDerWaalsContact C-N 3.32Å; V121-Q123 PolarHBondContact O-N 3.14Å; V121-L124 WeakPolarHBondContact O-CB 3.25Å; V121-L124 PolarHBondContact O-N 3.41Å; V121-L125 HydrophobicContact CG1-CD1 4.16Å; V121-L125 HydrophobicContact CG1-CG 4.32Å; V121-L125 VanDerWaalsContact O-CG 3.26Å; V121-L125 WeakPolarHBondContact O-CG 3.44Å; V121-L125 PolarHBondContact O-N 2.95Å; V121-L163 HydrophobicContact CB-CD2 4.13Å; V121-L163 HydrophobicContact CG1-CD1 4.21Å; V121-L163 HydrophobicContact CG1-CD2 3.92Å
122K96.7Very high96.4Very high57 Ų5750.4 Ų50.425%0.24827%0.272CS..Hα-helixtrans-57.9-45.7174.1-67-172.975.1167.60111.7I118 L119 L124 L125 V126 Q162 L163 N165 S166I118-K122 HydrophobicContact CG2-CD 4.34Å; I118-K122 HydrophobicContact CG2-CG 4.44Å; I118-K122 WeakPolarHBondContact O-CG 3.36Å; I118-K122 PolarHBondContact O-N 3.45Å; L119-K122 WeakPolarHBondContact O-CB 3.28Å; L119-K122 PolarHBondContact O-N 2.88Å; K122-L124 VanDerWaalsContact C-N 3.35Å; K122-L125 PolarHBondContact O-N 3.03Å; K122-V126 WeakPolarHBondContact O-CG2 3.33Å; K122-V126 PolarHBondContact O-N 2.95Å; K122-Q162 VanDerWaalsContact CD-O 3.29Å; K122-Q162 WeakPolarHBondContact CD-O 3.44Å; K122-Q162 WeakPolarHBondContact CE-O 3.3Å; K122-Q162 PolarHBondContact NZ-O 3.11Å; K122-L163 HydrophobicContact CG-CD2 3.69Å; K122-N165 PolarHBondContact NZ-O 3.26Å; K122-S166 WeakPolarHBondContact CE-OG 3.48Å; K122-S166 WeakPolarHBondContact CG-OG 3.32Å
123Q95.8Very high96.5Very high61 Ų6148.6 Ų48.629%0.28525%0.254SS..Hα-helixtrans-64.4-40.5177.8-68.7173-14.400111.6V5 L119 S120 V121 L125 V126 S127V5-Q123 HydrophobicContact CG2-CB 3.96Å; V5-Q123 WeakPolarHBondContact CG2-O 3.2Å; L119-Q123 WeakPolarHBondContact O-CG 3.39Å; L119-Q123 PolarHBondContact O-N 3.39Å; S120-Q123 PolarHBondContact O-N 2.94Å; V121-Q123 VanDerWaalsContact C-N 3.32Å; V121-Q123 PolarHBondContact O-N 3.14Å; Q123-L125 VanDerWaalsContact C-N 3.32Å; Q123-L125 PolarHBondContact O-N 2.74Å; Q123-V126 PolarHBondContact O-N 3.12Å; Q123-S127 WeakPolarHBondContact O-CB 3.38Å; Q123-S127 PolarHBondContact O-N 3.13Å
124L97.4Very high96.5Very high0 Ų047.9 Ų47.90%025%0.25CC..Hα-helixtrans-58-43.8173.7-174.674000111.6V5 I7 F71 L79 W85 I102 S120 V121 K122 S127 G128V5-L124 HydrophobicContact CG1-CB 4.39Å; V5-L124 HydrophobicContact CG1-CD1 4.08Å; I7-L124 HydrophobicContact CD1-CD1 3.6Å; I7-L124 HydrophobicContact CG1-CD1 4.25Å; F71-L124 HydrophobicContact CB-CD2 3.85Å; F71-L124 HydrophobicContact CD1-CD1 4.4Å; F71-L124 HydrophobicContact CD1-CD2 4.31Å; F71-L124 HydrophobicContact CD2-CD2 3.91Å; F71-L124 HydrophobicContact CE1-CD1 4.45Å; F71-L124 HydrophobicContact CG-CD2 3.75Å; L79-L124 HydrophobicContact CD1-CB 4.13Å; L79-L124 HydrophobicContact CD1-CD1 4.33Å; L79-L124 HydrophobicContact CD2-CD2 4.19Å; W85-L124 HydrophobicContact CH2-CD1 3.9Å; W85-L124 HydrophobicContact CH2-CG 3.84Å; W85-L124 HydrophobicContact CZ2-CD1 3.39Å; W85-L124 HydrophobicContact CZ2-CG 3.88Å; I102-L124 HydrophobicContact CD1-CD2 4.02Å; S120-L124 WeakPolarHBondContact O-CB 3.41Å; S120-L124 PolarHBondContact O-N 3.47Å; V121-L124 WeakPolarHBondContact O-CB 3.25Å; V121-L124 PolarHBondContact O-N 3.41Å; K122-L124 VanDerWaalsContact C-N 3.35Å; L124-S127 PolarHBondContact O-N 2.95Å; L124-G128 PolarHBondContact O-N 3.24Å
125L97.3Very high96.5Very high0 Ų050.1 Ų50.10%026%0.257CS..Hα-helixtrans-64.5-48.4178.3-66.4173.2000112V31 I102 V121 K122 Q123 S127 G128 V129 I134 F138 L140 L163V31-L125 HydrophobicContact CB-CD2 4.38Å; V31-L125 HydrophobicContact CG1-CD2 3.98Å; V31-L125 HydrophobicContact CG2-CD2 3.79Å; I102-L125 HydrophobicContact CD1-CD2 3.86Å; V121-L125 HydrophobicContact CG1-CD1 4.16Å; V121-L125 HydrophobicContact CG1-CG 4.32Å; V121-L125 VanDerWaalsContact O-CG 3.26Å; V121-L125 WeakPolarHBondContact O-CG 3.44Å; V121-L125 PolarHBondContact O-N 2.95Å; K122-L125 PolarHBondContact O-N 3.03Å; Q123-L125 VanDerWaalsContact C-N 3.32Å; Q123-L125 PolarHBondContact O-N 2.74Å; L125-S127 VanDerWaalsContact C-N 3.27Å; L125-S127 PolarHBondContact O-N 3.47Å; L125-G128 PolarHBondContact O-N 3.39Å; L125-V129 WeakPolarHBondContact O-CG2 3.46Å; L125-V129 PolarHBondContact O-N 3.25Å; L125-I134 HydrophobicContact CD2-CD1 3.92Å; L125-F138 HydrophobicContact CB-CZ 4.26Å; L125-F138 HydrophobicContact CD1-CE2 4.48Å; L125-F138 HydrophobicContact CD1-CZ 4.13Å; L125-F138 HydrophobicContact CD2-CE2 4.2Å; L125-F138 HydrophobicContact CD2-CZ 4.08Å; L125-F138 HydrophobicContact CG-CZ 4.38Å; L125-L140 HydrophobicContact CD1-CD1 4.11Å; L125-L163 HydrophobicContact CD1-CB 4.37Å
126V95.3Very high96.4Very high55 Ų5544.9 Ų44.933%0.33324%0.241SC..Hα-helixtrans-53.8-48.5173.8174.30000110.1K122 Q123 G128 V129 L130 S166K122-V126 WeakPolarHBondContact O-CG2 3.33Å; K122-V126 PolarHBondContact O-N 2.95Å; Q123-V126 PolarHBondContact O-N 3.12Å; V126-G128 PolarHBondContact O-N 2.95Å; V126-V129 PolarHBondContact O-N 3.5Å; V126-L130 HydrophobicContact CG1-CD1 3.83Å; V126-L130 HydrophobicContact CG1-CG 4.33Å; V126-L130 WeakPolarHBondContact O-CG 3.13Å; V126-L130 PolarHBondContact O-N 2.78Å; V126-S166 WeakPolarHBondContact CG2-O 3.28Å
127S95Very high96.3Very high17 Ų1747.7 Ų47.712%0.11925%0.254CS..Hα-helixtrans-64.1-41.3-178.3-162.50000112Q123 L124 L125 V129 L130 Q131Q123-S127 WeakPolarHBondContact O-CB 3.38Å; Q123-S127 PolarHBondContact O-N 3.13Å; L124-S127 PolarHBondContact O-N 2.95Å; L125-S127 VanDerWaalsContact C-N 3.27Å; L125-S127 PolarHBondContact O-N 3.47Å; S127-V129 VanDerWaalsContact C-N 3.34Å; S127-V129 PolarHBondContact O-N 2.87Å; S127-L130 PolarHBondContact O-N 2.71Å; S127-Q131 VanDerWaalsContact O-CB 3.32Å; S127-Q131 WeakPolarHBondContact O-CB 3.24Å; S127-Q131 VanDerWaalsContact O-CG 3.25Å; S127-Q131 WeakPolarHBondContact O-CG 3.27Å; S127-Q131 PolarHBondContact O-N 3.39Å; S127-Q131 PolarHBondContact OG-NE2 2.72Å
128G96.2Very high96.2Very high0 Ų049 Ų490%026%0.259CS..Hα-helixtrans-62.5-38.5175.900000113L124 L125 V126 G132 F133 I134L124-G128 PolarHBondContact O-N 3.24Å; L125-G128 PolarHBondContact O-N 3.39Å; V126-G128 PolarHBondContact O-N 2.95Å; G128-G132 PolarHBondContact O-N 3.16Å; G128-F133 PolarHBondContact O-N 3.35Å; G128-I134 PolarHBondContact O-N 3.34Å
129V96.3Very high96.2Very high28 Ų2850.2 Ų50.217%0.1727%0.271CS..Hα-helixtrans-67-50.1174172.20000111.1L125 V126 S127 Q131 G132 I134 P136 F138L125-V129 WeakPolarHBondContact O-CG2 3.46Å; L125-V129 PolarHBondContact O-N 3.25Å; V126-V129 PolarHBondContact O-N 3.5Å; S127-V129 VanDerWaalsContact C-N 3.34Å; S127-V129 PolarHBondContact O-N 2.87Å; V129-Q131 PolarHBondContact O-N 3.39Å; V129-G132 PolarHBondContact O-N 2.76Å; V129-I134 HydrophobicContact CG2-CB 3.96Å; V129-I134 HydrophobicContact CG2-CG2 4.09Å; V129-P136 HydrophobicContact CG1-CB 4.02Å; V129-P136 HydrophobicContact CG1-CG 4.08Å; V129-F138 HydrophobicContact CG2-CD1 4.07Å; V129-F138 HydrophobicContact CG2-CE1 3.99Å
130L94.9Very high96.3Very high139 Ų13946.5 Ų46.573%0.72825%0.251SS*.Hα-helixtrans-61.7-33.2-179.2-70.9175.6000113V126 S127 G132V126-L130 HydrophobicContact CG1-CD1 3.83Å; V126-L130 HydrophobicContact CG1-CG 4.33Å; V126-L130 WeakPolarHBondContact O-CG 3.13Å; V126-L130 PolarHBondContact O-N 2.78Å; S127-L130 PolarHBondContact O-N 2.71Å; L130-G132 VanDerWaalsContact C-N 3.31Å
131Q95.2Very high96.4Very high108 Ų10849.4 Ų49.451%0.50526%0.26SS..THydrogen-bonded Turntrans-83.9-3.9177.1-68.4-179.563.400113.5S127 V129 F133S127-Q131 VanDerWaalsContact O-CB 3.32Å; S127-Q131 WeakPolarHBondContact O-CB 3.24Å; S127-Q131 VanDerWaalsContact O-CG 3.25Å; S127-Q131 WeakPolarHBondContact O-CG 3.27Å; S127-Q131 PolarHBondContact O-N 3.39Å; S127-Q131 PolarHBondContact OG-NE2 2.72Å; V129-Q131 PolarHBondContact O-N 3.39Å; Q131-F133 VanDerWaalsContact C-N 3.33Å; Q131-F133 HydrophobicContact CB-CD2 3.63Å; Q131-F133 HydrophobicContact CB-CE2 3.91Å; Q131-F133 PolarHBondContact O-N 3.03Å
132G96.6Very high96.4Very high42 Ų4249.4 Ų49.443%0.43326%0.26SS..THydrogen-bonded Turntrans74.518.5-179.500000114.6P27 G128 V129 L130P27-G132 WeakPolarHBondContact CB-O 3.5Å; P27-G132 VanDerWaalsContact CG-O 3.28Å; P27-G132 WeakPolarHBondContact CG-O 3.5Å; G128-G132 PolarHBondContact O-N 3.16Å; V129-G132 PolarHBondContact O-N 2.76Å; L130-G132 VanDerWaalsContact C-N 3.31Å
133F97.6Very high96.5Very high71 Ų7148.4 Ų48.431%0.31126%0.256SS..SBendtrans-86.9-19.8172.9-69.1-62.7000113.2P27 A28 W85 G128 Q131P27-F133 CarbonylContact C-O 3.59Å; P27-F133 WeakPolarHBondContact CA-O 3.46Å; A28-F133 PolarHBondContact N-O 2.85Å; W85-F133 HydrophobicContact CB-CB 4.36Å; W85-F133 HydrophobicContact CB-CD1 3.65Å; W85-F133 HydrophobicContact CB-CD2 3.8Å; W85-F133 HydrophobicContact CB-CE1 3.73Å; W85-F133 HydrophobicContact CB-CE2 3.89Å; W85-F133 HydrophobicContact CB-CG 3.68Å; W85-F133 HydrophobicContact CB-CZ 3.86Å; W85-F133 HydrophobicContact CD2-CB 4.1Å; W85-F133 AromaticContact CD2-CD2 3.91Å; W85-F133 HydrophobicContact CD2-CD2 3.91Å; W85-F133 HydrophobicContact CD2-CG 4.08Å; W85-F133 HydrophobicContact CE3-CB 3.62Å; W85-F133 HydrophobicContact CE3-CD2 4.32Å; W85-F133 HydrophobicContact CE3-CG 4.1Å; W85-F133 HydrophobicContact CG-CB 4.44Å; W85-F133 HydrophobicContact CG-CD1 4.39Å; W85-F133 AromaticContact CG-CD2 3.68Å; W85-F133 HydrophobicContact CG-CD2 3.68Å; W85-F133 AromaticContact CG-CE2 3.93Å; W85-F133 HydrophobicContact CG-CE2 3.93Å; W85-F133 AromaticContact CG-CG 3.93Å; W85-F133 HydrophobicContact CG-CG 3.93Å; W85-F133 HydrophobicContact CG-CZ 4.39Å; W85-F133 HydrophobicContact CZ3-CB 4.22Å; G128-F133 PolarHBondContact O-N 3.35Å; Q131-F133 VanDerWaalsContact C-N 3.33Å; Q131-F133 HydrophobicContact CB-CD2 3.63Å; Q131-F133 HydrophobicContact CB-CE2 3.91Å; Q131-F133 PolarHBondContact O-N 3.03Å
134I97.8Very high96.6Very high1 Ų148 Ų481%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-126.3138.7176.5-51.8176.8000107.7V31 W85 L100 L125 G128 V129 F138V31-I134 HydrophobicContact CG2-CD1 4.28Å; V31-I134 HydrophobicContact CG2-CG2 4.3Å; W85-I134 HydrophobicContact CH2-CD1 4.13Å; W85-I134 HydrophobicContact CZ3-CD1 3.82Å; W85-I134 HydrophobicContact CZ3-CG1 3.92Å; L100-I134 HydrophobicContact CD2-CD1 4.05Å; L100-I134 HydrophobicContact CD2-CG1 4.46Å; L125-I134 HydrophobicContact CD2-CD1 3.92Å; G128-I134 PolarHBondContact O-N 3.34Å; V129-I134 HydrophobicContact CG2-CB 3.96Å; V129-I134 HydrophobicContact CG2-CG2 4.09Å; I134-F138 HydrophobicContact CG2-CB 3.58Å; I134-F138 HydrophobicContact CG2-CD1 3.46Å; I134-F138 VanDerWaalsContact CG2-CD1 3.46Å; I134-F138 HydrophobicContact CG2-CD2 4.21Å; I134-F138 HydrophobicContact CG2-CE1 4.17Å; I134-F138 HydrophobicContact CG2-CG 3.47Å; I134-F138 VanDerWaalsContact CG2-CG 3.47Å
135Q97Very high96.7Very high74 Ų7450.9 Ų50.935%0.34627%0.268SS..EExtended strand (participates in β ladder)trans-64.1141.6171.7-68.3-65-13.600110.8P27 A28 Q29 E137 F138P27-Q135 HydrophobicContact CB-CG 4.15Å; A28-Q135 PolarHBondContact O-N 3.5Å; Q29-Q135 HydrophobicContact CG-CG 4.16Å; Q135-E137 VanDerWaalsContact C-N 3.28Å; Q135-E137 PolarHBondContact O-N 2.89Å; Q135-F138 WeakPolarHBondContact O-CB 3.37Å; Q135-F138 VanDerWaalsContact O-CD1 3.22Å; Q135-F138 WeakPolarHBondContact O-CD1 3.42Å; Q135-F138 PolarHBondContact O-N 3Å; Q135-F138 VanDerWaalsContact O-N 3.13Å
136P94Very high96.7Very high63 Ų6352.6 Ų52.641%0.40928%0.277SS..EExtended strand (participates in β ladder)trans-57.3-37.7-179.7-23.633000113.9V129 F138V129-P136 HydrophobicContact CG1-CB 4.02Å; V129-P136 HydrophobicContact CG1-CG 4.08Å; P136-F138 VanDerWaalsContact C-N 3.34Å; P136-F138 PolarHBondContact O-N 3.15Å
137E93.3Very high96.6Very high163 Ų16351.7 Ų51.776%0.76228%0.278SS*.EExtended strand (participates in β ladder)trans-96.230.8179.3-57.776.4-17000113Q135Q135-E137 VanDerWaalsContact C-N 3.28Å; Q135-E137 PolarHBondContact O-N 2.89Å
138F96.5Very high96.7Very high28 Ų2856.7 Ų56.712%0.12332%0.32CS..EExtended strand (participates in β ladder)trans-56.8144-17970.9-83.4000112.8Q29 V31 L125 V129 I134 Q135 P136 L140Q29-F138 VanDerWaalsContact O-CA 3.24Å; Q29-F138 WeakPolarHBondContact O-CA 3.45Å; Q29-F138 WeakPolarHBondContact O-CB 3.49Å; V31-F138 HydrophobicContact CB-CD2 3.88Å; V31-F138 HydrophobicContact CB-CE2 3.93Å; V31-F138 HydrophobicContact CG2-CD2 3.44Å; V31-F138 VanDerWaalsContact CG2-CD2 3.44Å; V31-F138 HydrophobicContact CG2-CE2 3.62Å; V31-F138 HydrophobicContact CG2-CG 4.25Å; L125-F138 HydrophobicContact CB-CZ 4.26Å; L125-F138 HydrophobicContact CD1-CE2 4.48Å; L125-F138 HydrophobicContact CD1-CZ 4.13Å; L125-F138 HydrophobicContact CD2-CE2 4.2Å; L125-F138 HydrophobicContact CD2-CZ 4.08Å; L125-F138 HydrophobicContact CG-CZ 4.38Å; V129-F138 HydrophobicContact CG2-CD1 4.07Å; V129-F138 HydrophobicContact CG2-CE1 3.99Å; I134-F138 HydrophobicContact CG2-CB 3.58Å; I134-F138 HydrophobicContact CG2-CD1 3.46Å; I134-F138 VanDerWaalsContact CG2-CD1 3.46Å; I134-F138 HydrophobicContact CG2-CD2 4.21Å; I134-F138 HydrophobicContact CG2-CE1 4.17Å; I134-F138 HydrophobicContact CG2-CG 3.47Å; I134-F138 VanDerWaalsContact CG2-CG 3.47Å; Q135-F138 WeakPolarHBondContact O-CB 3.37Å; Q135-F138 VanDerWaalsContact O-CD1 3.22Å; Q135-F138 WeakPolarHBondContact O-CD1 3.42Å; Q135-F138 PolarHBondContact O-N 3Å; Q135-F138 VanDerWaalsContact O-N 3.13Å; P136-F138 VanDerWaalsContact C-N 3.34Å; P136-F138 PolarHBondContact O-N 3.15Å; F138-L140 HydrophobicContact CE2-CB 4.16Å; F138-L140 HydrophobicContact CE2-CD1 4.16Å
139A97.1Very high96.8Very high35 Ų3559.4 Ų59.429%0.28934%0.337SS..EExtended strand (participates in β ladder)trans-85.3133173.800000111Q29 R30 V31 Y141Q29-A139 PolarHBondContact O-N 2.94Å; R30-A139 CarbonylContact C-O 3.48Å; R30-A139 VanDerWaalsContact CA-O 3.26Å; R30-A139 WeakPolarHBondContact CA-O 3.49Å; R30-A139 HydrophobicContact CG-CB 4.32Å; V31-A139 PolarHBondContact N-O 3.42Å; A139-Y141 HydrophobicContact CB-CD2 4.26Å; A139-Y141 HydrophobicContact CB-CE2 3.42Å; A139-Y141 VanDerWaalsContact CB-CE2 3.42Å
140L98.1Very high96.8Very high15 Ų1564.3 Ų64.38%0.07936%0.358CS..EExtended strand (participates in β ladder)trans-106.2120.8178.8-174141.9000111.2V31 I33 L125 F138 L160 L163 R164V31-L140 WeakPolarHBondContact O-CA 3.19Å; I33-L140 HydrophobicContact CG1-CD1 4.4Å; I33-L140 HydrophobicContact CG1-CD2 4.37Å; I33-L140 HydrophobicContact CG1-CG 4.33Å; L125-L140 HydrophobicContact CD1-CD1 4.11Å; F138-L140 HydrophobicContact CE2-CB 4.16Å; F138-L140 HydrophobicContact CE2-CD1 4.16Å; L140-L160 HydrophobicContact CD2-CB 3.87Å; L140-L160 HydrophobicContact CD2-CD1 4.46Å; L140-L160 HydrophobicContact CD2-CD2 4.04Å; L140-L160 HydrophobicContact CD2-CG 4.33Å; L140-L163 HydrophobicContact CD1-CB 3.65Å; L140-L163 HydrophobicContact CD1-CD1 4.35Å; L140-R164 HydrophobicContact CD2-CG 4.29Å
141Y98.4Very high96.9Very high80 Ų8058.1 Ų58.131%0.31433%0.326SS..EExtended strand (participates in β ladder)trans-121.6151.1-177.4-64.3-75.2000111.6R30 V31 V32 I33 A139 D145 L146R30-Y141 HydrophobicContact CB-CD2 4.4Å; R30-Y141 HydrophobicContact CB-CE2 4.42Å; R30-Y141 HydrophobicContact CG-CE2 4.1Å; V31-Y141 PolarHBondContact O-N 2.95Å; V32-Y141 CarbonylContact C-O 3.59Å; V32-Y141 WeakPolarHBondContact CA-O 3.04Å; I33-Y141 PolarHBondContact N-O 2.95Å; A139-Y141 HydrophobicContact CB-CD2 4.26Å; A139-Y141 HydrophobicContact CB-CE2 3.42Å; A139-Y141 VanDerWaalsContact CB-CE2 3.42Å; Y141-D145 WeakPolarHBondContact CA-OD2 3.47Å; Y141-D145 HydrophobicContact CD1-CB 3.78Å; Y141-D145 HydrophobicContact CG-CB 4.43Å; Y141-L146 HydrophobicContact CD1-CD2 4.38Å; Y141-L146 HydrophobicContact CD2-CD1 4.24Å; Y141-L146 HydrophobicContact CG-CD1 4.19Å; Y141-L146 HydrophobicContact CG-CD2 4.36Å; Y141-L146 HydrophobicContact CG-CG 4.29Å
142G98.5Very high97.1Very high0 Ų053 Ų530%030%0.302CS..EExtended strand (participates in β ladder)trans-82.2153.615400000109.9R144 D145G142-R144 PolarHBondContact O-N 2.95Å; G142-R144 VanDerWaalsContact O-N 3.14Å; G142-D145 PolarHBondContact N-OD2 3.16Å; G142-D145 WeakPolarHBondContact O-CB 3.49Å; G142-D145 PolarHBondContact O-N 2.96Å
143H98.6Very high97.2Very high36 Ų3651 Ų5117%0.16728%0.282CS..G310 helixtrans-53.3-37.2176.9-170.4179.7000113V32 I33 H34 H91 D145 L146 G147 T149 C151V32-H143 HydrophobicContact CG1-CB 4.26Å; I33-H143 PolarHBondContact O-N 3.47Å; I33-H143 VanDerWaalsContact O-N 3.08Å; H34-H143 AromaticContact CE1-CD2 3.88Å; H34-H143 AromaticContact CE1-CE1 3.57Å; H34-H143 AromaticContact CE1-CG 3.25Å; H34-H143 AromaticContact CE1-ND1 3.05Å; H34-H143 PolarHBondContact CE1-ND1 2.98Å; H34-H143 AromaticContact ND1-CE1 3.88Å; H34-H143 AromaticContact ND1-CG 3.53Å; H34-H143 AromaticContact ND1-ND1 3.06Å; H34-H143 PolarHBondContact ND1-ND1 3.49Å; H91-H143 PolarHBondContact O-CE1 3.26Å; H91-H143 VanDerWaalsContact O-CE1 3.27Å; H143-D145 PolarHBondContact O-N 3.39Å; H143-D145 VanDerWaalsContact O-N 3.15Å; H143-L146 PolarHBondContact O-N 3.4Å; H143-G147 PolarHBondContact O-N 3.05Å; H143-T149 HydrophobicContact CB-CG2 4.03Å; H143-C151 HydrophobicContact CB-CB 3.85Å
144R98.3Very high97.2Very high52 Ų5252.3 Ų52.320%0.19629%0.289CS..G310 helixtrans-59.3-21.2175.863.9174.566.3-176.4-5.7115.1G142 L146 G147 T149 Q150 C151 E154 Y157G142-R144 PolarHBondContact O-N 2.95Å; G142-R144 VanDerWaalsContact O-N 3.14Å; R144-L146 PolarHBondContact O-N 2.97Å; R144-G147 CarbonylContact C-O 3.6Å; R144-G147 VanDerWaalsContact O-O 3.1Å; R144-T149 HydrophobicContact CB-CG2 4.46Å; R144-T149 VanDerWaalsContact CB-O 3.23Å; R144-T149 WeakPolarHBondContact CB-O 3.31Å; R144-Q150 PolarHBondContact NE-O 3.03Å; R144-Q150 PolarHBondContact NH2-O 3.32Å; R144-C151 VanDerWaalsContact CB-O 3.22Å; R144-C151 WeakPolarHBondContact CB-O 3.05Å; R144-C151 PolarHBondContact N-O 3.4Å; R144-E154 IonicContact CZ-OE1 3.19Å; R144-E154 VanDerWaalsContact NH1-CD 3.28Å; R144-E154 IonicContact NH1-OE1 2.76Å; R144-E154 PolarHBondContact NH1-OE1 2.62Å; R144-E154 IonicContact NH1-OE2 3.16Å; R144-E154 PolarHBondContact NH1-OE2 3.01Å; R144-E154 VanDerWaalsContact NH1-OE2 3.16Å; R144-E154 IonicContact NH2-OE1 3.25Å; R144-E154 PolarHBondContact NH2-OE1 2.97Å; R144-Y157 HydrophobicContact CG-CD2 3.74Å; R144-Y157 HydrophobicContact CG-CE2 3.69Å; R144-Y157 HydrophobicContact CG-CG 4.47Å
145D98.3Very high97.2Very high62 Ų6255 Ų5533%0.33230%0.304SS..G310 helixtrans-74.6-18.6177.6-58.3-29.8000111.9Y141 G142 H143 Y157Y141-D145 WeakPolarHBondContact CA-OD2 3.47Å; Y141-D145 HydrophobicContact CD1-CB 3.78Å; Y141-D145 HydrophobicContact CG-CB 4.43Å; G142-D145 PolarHBondContact N-OD2 3.16Å; G142-D145 WeakPolarHBondContact O-CB 3.49Å; G142-D145 PolarHBondContact O-N 2.96Å; H143-D145 PolarHBondContact O-N 3.39Å; H143-D145 VanDerWaalsContact O-N 3.15Å; D145-Y157 VanDerWaalsContact OD1-CE2 3.27Å; D145-Y157 WeakPolarHBondContact OD1-CE2 3.25Å; D145-Y157 PolarHBondContact OD1-OH 3.35Å
146L97.6Very high97.2Very high36 Ų3651.5 Ų51.519%0.18829%0.287CS..SBendtrans-120.54.4-172-58.6178.1000112.4V32 T92 H95 Y141 H143 R144V32-L146 HydrophobicContact CG1-CD1 4.3Å; V32-L146 HydrophobicContact CG2-CD1 3.69Å; T92-L146 HydrophobicContact CG2-CB 3.97Å; T92-L146 HydrophobicContact CG2-CD1 4.26Å; H95-L146 HydrophobicContact CB-CD1 4.33Å; Y141-L146 HydrophobicContact CD1-CD2 4.38Å; Y141-L146 HydrophobicContact CD2-CD1 4.24Å; Y141-L146 HydrophobicContact CG-CD1 4.19Å; Y141-L146 HydrophobicContact CG-CD2 4.36Å; Y141-L146 HydrophobicContact CG-CG 4.29Å; H143-L146 PolarHBondContact O-N 3.4Å; R144-L146 PolarHBondContact O-N 2.97Å
147G94.3Very high97.4Very high36 Ų3652.3 Ų52.337%0.37128%0.283SS..SBendtrans-174.6164.6-17900000113.6H143 R144 T149H143-G147 PolarHBondContact O-N 3.05Å; R144-G147 CarbonylContact C-O 3.6Å; R144-G147 VanDerWaalsContact O-O 3.1Å; G147-T149 PolarHBondContact O-N 3.41Å
148A96Very high97.6Very high121 Ų12148.1 Ų48.1100%128%0.276SS*.SBendtrans-7883178.100000111
149T97.5Very high97.7Very high58 Ų5847.1 Ų47.136%0.35627%0.272SS..SBendtrans-148.9156.9179.7-179.70000111.2H143 R144 G147 C151H143-T149 HydrophobicContact CB-CG2 4.03Å; R144-T149 HydrophobicContact CB-CG2 4.46Å; R144-T149 VanDerWaalsContact CB-O 3.23Å; R144-T149 WeakPolarHBondContact CB-O 3.31Å; G147-T149 PolarHBondContact O-N 3.41Å; T149-C151 VanDerWaalsContact C-N 3.33Å; T149-C151 HydrophobicContact CG2-CB 3.99Å; T149-C151 WeakPolarHBondContact OG1-CB 3.19Å; T149-C151 PolarHBondContact OG1-N 2.88Å; T149-C151 VanDerWaalsContact OG1-N 3.13Å
150Q97.1Very high97.6Very high130 Ų13045.6 Ų45.661%0.60726%0.259SS*.  trans-81-14.3169.5-69.7-178-27.600112.5R144 G153R144-Q150 PolarHBondContact NE-O 3.03Å; R144-Q150 PolarHBondContact NH2-O 3.32Å; Q150-G153 WeakPolarHBondContact O-CA 3.13Å; Q150-G153 PolarHBondContact O-N 2.9Å
151C97.9Very high97.4Very high9 Ų948 Ų486%0.06128%0.278CS..THydrogen-bonded Turntrans-59.6134.8178.9-1760000110.7H34 H35 H143 R144 T149H34-C151 WeakPolarHBondContact CA-SG 3.36Å; H35-C151 PolarHBondContact N-SG 2.64Å; H143-C151 HydrophobicContact CB-CB 3.85Å; R144-C151 VanDerWaalsContact CB-O 3.22Å; R144-C151 WeakPolarHBondContact CB-O 3.05Å; R144-C151 PolarHBondContact N-O 3.4Å; T149-C151 VanDerWaalsContact C-N 3.33Å; T149-C151 HydrophobicContact CG2-CB 3.99Å; T149-C151 WeakPolarHBondContact OG1-CB 3.19Å; T149-C151 PolarHBondContact OG1-N 2.88Å; T149-C151 VanDerWaalsContact OG1-N 3.13Å
152P98.1Very high97.3Very high0 Ų049 Ų490%029%0.285CS..THydrogen-bonded Turncis-91.617.411.637.6-36.8000115.4I33 H35 L156 Y157I33-P152 HydrophobicContact CG2-CB 4.26Å; H35-P152 WeakPolarHBondContact CB-O 3.46Å; H35-P152 VanDerWaalsContact CG-O 3.31Å; H35-P152 VanDerWaalsContact ND1-C 3.32Å; H35-P152 PolarHBondContact ND1-O 3.22Å; P152-L156 HydrophobicContact CB-CB 4.36Å; P152-L156 HydrophobicContact CB-CD2 3.79Å; P152-L156 HydrophobicContact CB-CG 3.95Å; P152-L156 HydrophobicContact CG-CG 4.28Å; P152-L156 WeakPolarHBondContact O-CB 3.38Å; P152-Y157 HydrophobicContact CG-CD2 4.26Å
153G98.2Very high97Very high0 Ų049 Ų490%029%0.285CS..  trans87.3154.9-173.800000112.7F108 N109 Q150 N155 L156 Y157F108-G153 CarbonylContact O-C 3.11Å; N109-G153 VanDerWaalsContact OD1-CA 3.28Å; N109-G153 WeakPolarHBondContact OD1-CA 3.22Å; Q150-G153 WeakPolarHBondContact O-CA 3.13Å; Q150-G153 PolarHBondContact O-N 2.9Å; G153-N155 PolarHBondContact O-N 3.47Å; G153-L156 PolarHBondContact O-N 3.2Å; G153-Y157 WeakPolarHBondContact O-CB 3.41Å; G153-Y157 PolarHBondContact O-N 2.05Å
154E98Very high96.1Very high99 Ų9954.3 Ų54.346%0.46330%0.304SS..Hα-helixtrans-56.8-47.8-172.3-64-50.8126.900113.4F108 R144 Y157 A158F108-E154 PolarHBondContact O-N 3.18Å; R144-E154 IonicContact CZ-OE1 3.19Å; R144-E154 VanDerWaalsContact NH1-CD 3.28Å; R144-E154 IonicContact NH1-OE1 2.76Å; R144-E154 PolarHBondContact NH1-OE1 2.62Å; R144-E154 IonicContact NH1-OE2 3.16Å; R144-E154 PolarHBondContact NH1-OE2 3.01Å; R144-E154 VanDerWaalsContact NH1-OE2 3.16Å; R144-E154 IonicContact NH2-OE1 3.25Å; R144-E154 PolarHBondContact NH2-OE1 2.97Å; E154-Y157 PolarHBondContact O-N 3.11Å; E154-A158 WeakPolarHBondContact O-CB 3.45Å; E154-A158 PolarHBondContact O-N 3.39Å
155N98.1Very high94.4Very high59 Ų5958.1 Ų58.132%0.31633%0.328SS..Hα-helixtrans-71.6-39-173-64.4-31.9000112.1F108 D111 G153 A159F108-N155 WeakPolarHBondContact O-CB 3.49Å; F108-N155 PolarHBondContact O-N 2.99Å; D111-N155 VanDerWaalsContact O-CB 3.26Å; D111-N155 WeakPolarHBondContact O-CB 3.43Å; D111-N155 PolarHBondContact O-ND2 2.91Å; G153-N155 PolarHBondContact O-N 3.47Å; N155-A159 PolarHBondContact O-N 3.4Å
156L98.3Very high92.3Very high0 Ų055.7 Ų55.70%032%0.316CS..Hα-helixtrans-74.2-35.2175.8177.855.3000111.5I33 H35 F104 F108 P113 I118 P152 G153 A159 L160I33-L156 HydrophobicContact CG2-CD1 4.41Å; I33-L156 HydrophobicContact CG2-CD2 4.07Å; I33-L156 HydrophobicContact CG2-CG 4.21Å; H35-L156 HydrophobicContact CB-CD2 4.44Å; F104-L156 HydrophobicContact CB-CD2 3.65Å; F104-L156 HydrophobicContact CD1-CD1 4.23Å; F104-L156 HydrophobicContact CD1-CD2 4.24Å; F104-L156 HydrophobicContact CD2-CD1 4.19Å; F104-L156 HydrophobicContact CD2-CD2 3.65Å; F104-L156 HydrophobicContact CE1-CD1 4.18Å; F104-L156 HydrophobicContact CE2-CD1 4.15Å; F104-L156 HydrophobicContact CE2-CD2 4.38Å; F104-L156 HydrophobicContact CG-CD1 4.25Å; F104-L156 HydrophobicContact CG-CD2 3.58Å; F104-L156 HydrophobicContact CZ-CD1 4.15Å; F108-L156 HydrophobicContact CB-CB 3.53Å; F108-L156 HydrophobicContact CD2-CB 4.05Å; F108-L156 HydrophobicContact CD2-CD2 3.58Å; F108-L156 HydrophobicContact CD2-CG 4.46Å; F108-L156 HydrophobicContact CE2-CD2 4.03Å; F108-L156 HydrophobicContact CG-CB 3.76Å; F108-L156 HydrophobicContact CG-CD2 4.15Å; P113-L156 HydrophobicContact CB-CD1 3.97Å; P113-L156 HydrophobicContact CG-CB 4.38Å; P113-L156 HydrophobicContact CG-CD1 3.97Å; I118-L156 HydrophobicContact CD1-CD1 4.19Å; P152-L156 HydrophobicContact CB-CB 4.36Å; P152-L156 HydrophobicContact CB-CD2 3.79Å; P152-L156 HydrophobicContact CB-CG 3.95Å; P152-L156 HydrophobicContact CG-CG 4.28Å; P152-L156 WeakPolarHBondContact O-CB 3.38Å; G153-L156 PolarHBondContact O-N 3.2Å; L156-A159 PolarHBondContact O-N 2.88Å; L156-A159 VanDerWaalsContact O-N 3.1Å; L156-L160 PolarHBondContact O-N 2.88Å
157Y98.3Very high89.8Confident80 Ų8060.5 Ų60.531%0.31436%0.361SS..Hα-helixtrans-61.5-44.2174-172.6-102000111.7R144 D145 P152 G153 E154 A159 L160R144-Y157 HydrophobicContact CG-CD2 3.74Å; R144-Y157 HydrophobicContact CG-CE2 3.69Å; R144-Y157 HydrophobicContact CG-CG 4.47Å; D145-Y157 VanDerWaalsContact OD1-CE2 3.27Å; D145-Y157 WeakPolarHBondContact OD1-CE2 3.25Å; D145-Y157 PolarHBondContact OD1-OH 3.35Å; P152-Y157 HydrophobicContact CG-CD2 4.26Å; G153-Y157 WeakPolarHBondContact O-CB 3.41Å; G153-Y157 PolarHBondContact O-N 2.05Å; E154-Y157 PolarHBondContact O-N 3.11Å; Y157-A159 PolarHBondContact O-N 3.07Å; Y157-L160 HydrophobicContact CD2-CD1 3.47Å; Y157-L160 VanDerWaalsContact CD2-CD1 3.47Å; Y157-L160 HydrophobicContact CD2-CG 4.44Å; Y157-L160 HydrophobicContact CE2-CD1 3.71Å; Y157-L160 HydrophobicContact CG-CD1 4.28Å; Y157-L160 WeakPolarHBondContact O-CB 3.42Å; Y157-L160 VanDerWaalsContact O-CG 3.28Å; Y157-L160 WeakPolarHBondContact O-CG 3.45Å; Y157-L160 PolarHBondContact O-N 3.22Å
158A97.3Very high89.5Confident75 Ų7561.7 Ų61.762%0.6236%0.36SS*.Hα-helixtrans-61.1-30.3173.500000112.9E154E154-A158 WeakPolarHBondContact O-CB 3.45Å; E154-A158 PolarHBondContact O-N 3.39Å
159A96.8Very high89.2Confident6 Ų658.6 Ų58.65%0.0533%0.326CS..Hα-helixtrans-82.3-6.6179.500000114.6P113 I118 N155 L156 Y157 S161 Q162P113-A159 HydrophobicContact CG-CB 3.96Å; I118-A159 HydrophobicContact CD1-CB 4.41Å; N155-A159 PolarHBondContact O-N 3.4Å; L156-A159 PolarHBondContact O-N 2.88Å; L156-A159 VanDerWaalsContact O-N 3.1Å; Y157-A159 PolarHBondContact O-N 3.07Å; A159-S161 PolarHBondContact O-N 3.09Å; A159-S161 VanDerWaalsContact O-N 3.11Å; A159-Q162 VanDerWaalsContact O-CB 3.28Å; A159-Q162 WeakPolarHBondContact O-CB 3.3Å; A159-Q162 WeakPolarHBondContact O-CG 3.26Å; A159-Q162 PolarHBondContact O-N 2.98Å
160L96.4Very high88.7Confident3 Ų358.6 Ų58.62%0.01633%0.325CS..Hα-helixtrans-57.8-30-177.5-66.7-180000113.5I33 L140 L156 Y157 Q162 L163 R164I33-L160 HydrophobicContact CB-CD2 3.62Å; I33-L160 HydrophobicContact CG1-CD2 3.66Å; I33-L160 HydrophobicContact CG2-CD2 3.75Å; L140-L160 HydrophobicContact CD2-CB 3.87Å; L140-L160 HydrophobicContact CD2-CD1 4.46Å; L140-L160 HydrophobicContact CD2-CD2 4.04Å; L140-L160 HydrophobicContact CD2-CG 4.33Å; L156-L160 PolarHBondContact O-N 2.88Å; Y157-L160 HydrophobicContact CD2-CD1 3.47Å; Y157-L160 VanDerWaalsContact CD2-CD1 3.47Å; Y157-L160 HydrophobicContact CD2-CG 4.44Å; Y157-L160 HydrophobicContact CE2-CD1 3.71Å; Y157-L160 HydrophobicContact CG-CD1 4.28Å; Y157-L160 WeakPolarHBondContact O-CB 3.42Å; Y157-L160 VanDerWaalsContact O-CG 3.28Å; Y157-L160 WeakPolarHBondContact O-CG 3.45Å; Y157-L160 PolarHBondContact O-N 3.22Å; L160-Q162 PolarHBondContact O-N 3.4Å; L160-L163 HydrophobicContact CD2-CD1 4.33Å; L160-L163 WeakPolarHBondContact O-CB 3.44Å; L160-L163 PolarHBondContact O-N 3.18Å; L160-R164 PolarHBondContact O-N 3.43Å
161S94.4Very high88.3Confident67 Ų6754.4 Ų54.447%0.46931%0.308SS..Hα-helixtrans-58-29.4175.259.40000113A159 L163 R164A159-S161 PolarHBondContact O-N 3.09Å; A159-S161 VanDerWaalsContact O-N 3.11Å; S161-L163 VanDerWaalsContact C-N 3.25Å; S161-L163 PolarHBondContact O-N 2.86Å; S161-R164 PolarHBondContact O-N 3.1Å
162Q94.7Very high87.7Confident100 Ų10057.3 Ų57.347%0.46732%0.324SS..Hα-helixtrans-68.8-26.8177.9-57.2-178.547.400112.2I118 K122 A159 L160I118-Q162 HydrophobicContact CG2-CB 4.06Å; K122-Q162 VanDerWaalsContact CD-O 3.29Å; K122-Q162 WeakPolarHBondContact CD-O 3.44Å; K122-Q162 WeakPolarHBondContact CE-O 3.3Å; K122-Q162 PolarHBondContact NZ-O 3.11Å; A159-Q162 VanDerWaalsContact O-CB 3.28Å; A159-Q162 WeakPolarHBondContact O-CB 3.3Å; A159-Q162 WeakPolarHBondContact O-CG 3.26Å; A159-Q162 PolarHBondContact O-N 2.98Å; L160-Q162 PolarHBondContact O-N 3.4Å
163L92.3Very high87Confident0 Ų061.1 Ų61.10%035%0.345CS..Hα-helixtrans-84.6-21.5179.2-60.1177.9000113.1I33 F104 I118 V121 K122 L125 L140 L160 S161 N165 S166I33-L163 HydrophobicContact CD1-CD1 3.93Å; I33-L163 HydrophobicContact CG1-CD1 3.93Å; F104-L163 HydrophobicContact CZ-CD1 4.49Å; I118-L163 HydrophobicContact CD1-CD2 4.28Å; I118-L163 HydrophobicContact CG2-CD2 3.98Å; V121-L163 HydrophobicContact CB-CD2 4.13Å; V121-L163 HydrophobicContact CG1-CD1 4.21Å; V121-L163 HydrophobicContact CG1-CD2 3.92Å; K122-L163 HydrophobicContact CG-CD2 3.69Å; L125-L163 HydrophobicContact CD1-CB 4.37Å; L140-L163 HydrophobicContact CD1-CB 3.65Å; L140-L163 HydrophobicContact CD1-CD1 4.35Å; L160-L163 HydrophobicContact CD2-CD1 4.33Å; L160-L163 WeakPolarHBondContact O-CB 3.44Å; L160-L163 PolarHBondContact O-N 3.18Å; S161-L163 VanDerWaalsContact C-N 3.25Å; S161-L163 PolarHBondContact O-N 2.86Å; L163-N165 VanDerWaalsContact C-N 3.35Å; L163-N165 PolarHBondContact O-N 2.81Å; L163-S166 WeakPolarHBondContact O-CB 3.3Å; L163-S166 PolarHBondContact O-OG 3.43Å
164R80.7Confident86.2Confident148 Ų14865.4 Ų65.456%0.55837%0.37SS*.Hα-helixtrans-69.1-29.5-177.5-68.3179.6179168.5-1.4113.6L140 L160 S161 S166L140-R164 HydrophobicContact CD2-CG 4.29Å; L160-R164 PolarHBondContact O-N 3.43Å; S161-R164 PolarHBondContact O-N 3.1Å; R164-S166 PolarHBondContact O-N 3.46Å; R164-S166 VanDerWaalsContact O-N 3.15Å
165N62.7Low85.2Confident132 Ų13262.8 Ų62.871%0.70636%0.363SS*.SBendtrans-90.346.6-177.6-58.8-20.7000111.8K122 L163K122-N165 PolarHBondContact NZ-O 3.26Å; L163-N165 VanDerWaalsContact C-N 3.35Å; L163-N165 PolarHBondContact O-N 2.81Å
166S53.7Low84.2Confident11 Ų1163.2 Ų63.28%0.07737%0.367CS..  trans-118.517.3-174.5-430000113K122 V126 L163 R164K122-S166 WeakPolarHBondContact CE-OG 3.48Å; K122-S166 WeakPolarHBondContact CG-OG 3.32Å; V126-S166 WeakPolarHBondContact CG2-O 3.28Å; L163-S166 WeakPolarHBondContact O-CB 3.3Å; L163-S166 PolarHBondContact O-OG 3.43Å; R164-S166 PolarHBondContact O-N 3.46Å; R164-S166 VanDerWaalsContact O-N 3.15Å
167A44.5Very low82.9Confident136 Ų13668.9 Ų68.9100%1.12440%0.4SS*.  trans-124.2017300000109.1

Retrieved 167 of 167 residues in 40.1 ms (Link to these results)

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