A0A068LRW0_HUMAN Loading...

Ig heavy chain variable region

AlphaFold DB , UniProt , Accession A0A068LRW0, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 120 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
1Q79.6Confident94.3Very high214 Ų21478.5 Ų78.5100%143%0.432SS*.  01390-172.9173.713.400108
2I87.3Confident94.5Very high55 Ų5572.3 Ų72.328%0.28240%0.398SS..  trans-81.3132.6177.5-59.9173.6000108.3L4 S25 F27 L99 I109I2-L4 HydrophobicContact CG2-CD1 4Å; I2-S25 WeakPolarHBondContact CA-O 3.28Å; I2-F27 HydrophobicContact CD1-CB 4.36Å; I2-F27 HydrophobicContact CD1-CD2 4.08Å; I2-F27 HydrophobicContact CG1-CB 4.24Å; I2-F27 HydrophobicContact CG2-CB 4.08Å; I2-L99 HydrophobicContact CD1-CD2 4.47Å; I2-L99 HydrophobicContact CG2-CD2 4.32Å; I2-I109 HydrophobicContact CB-CD1 3.81Å; I2-I109 HydrophobicContact CD1-CD1 3.66Å; I2-I109 HydrophobicContact CG1-CD1 4.3Å; I2-I109 HydrophobicContact CG2-CD1 3.8Å; I2-I109 HydrophobicContact CG2-CG2 4.09Å
3T92.4Very high94.8Very high65 Ų6574.6 Ų74.640%0.39940%0.402SS..EExtended strand (participates in β ladder)trans-136.2146.7174.868.60000111.6L24 S25T3-L24 WeakPolarHBondContact O-CA 3.32Å; T3-S25 PolarHBondContact N-O 2.84Å; T3-S25 PolarHBondContact O-N 3.2Å; T3-S25 PolarHBondContact OG1-OG 3.46Å
4L95.5Very high95Very high12 Ų1272.6 Ų72.66%0.06339%0.394CS..EExtended strand (participates in β ladder)trans-119.9130.8177.2-8167.4000107.9I2 L24 C97 L99 I109 G111I2-L4 HydrophobicContact CG2-CD1 4Å; L4-L24 HydrophobicContact CD1-CD2 4.46Å; L4-L24 HydrophobicContact CG-CD2 4.41Å; L4-L24 HydrophobicContact CG-CG 4.24Å; L4-C97 HydrophobicContact CD2-CB 4.35Å; L4-C97 WeakPolarHBondContact CD2-O 3.3Å; L4-L99 HydrophobicContact CD1-CB 4.43Å; L4-L99 HydrophobicContact CD2-CB 4.3Å; L4-I109 HydrophobicContact CD1-CB 4.49Å; L4-I109 HydrophobicContact CD1-CG2 3.68Å; L4-G111 WeakPolarHBondContact O-CA 3.27Å
5K97.2Very high95.1Very high150 Ų15075.3 Ų75.365%0.65242%0.415SS*.EExtended strand (participates in β ladder)trans-132113.6-179.8-175176.4-179.2177.30111.2C22 T23K5-C22 WeakPolarHBondContact O-CA 3.38Å; K5-T23 PolarHBondContact N-O 3.01Å; K5-T23 PolarHBondContact O-N 3.46Å
6E98.3Very high95.3Very high18 Ų1876.7 Ų76.78%0.08442%0.417CS..EExtended strand (participates in β ladder)trans-77.9144.6173.4-58.185.8166.600111.7T21 W38 Y96 C97 G111 Q112 G113 T114E6-T21 CarbonylContact C-O 3.56Å; E6-T21 WeakPolarHBondContact CA-O 3.35Å; E6-W38 HydrophobicContact CB-CH2 4.18Å; E6-W38 HydrophobicContact CG-CH2 3.75Å; E6-W38 HydrophobicContact CG-CZ3 3.82Å; E6-Y96 WeakPolarHBondContact OE1-CA 3.24Å; E6-C97 HydrophobicContact CG-CB 4.41Å; E6-C97 PolarHBondContact OE1-N 3.32Å; E6-C97 PolarHBondContact OE1-SG 3.24Å; E6-C97 VanDerWaalsContact OE1-SG 3.39Å; E6-G111 VanDerWaalsContact OE1-CA 3.23Å; E6-G111 WeakPolarHBondContact OE1-CA 3.28Å; E6-Q112 PolarHBondContact OE2-N 3.05Å; E6-G113 PolarHBondContact OE1-N 3.4Å; E6-G113 PolarHBondContact OE2-N 2.99Å; E6-G113 VanDerWaalsContact OE2-N 3.12Å; E6-T114 HydrophobicContact CB-CG2 3.9Å
7S98.1Very high95.5Very high58 Ų5876.5 Ų76.541%0.40642%0.419SS..EExtended strand (participates in β ladder)trans-150.4155.2170.8640000111L20 T21S7-L20 WeakPolarHBondContact O-CA 3.31Å; S7-T21 PolarHBondContact N-O 2.78Å; S7-T21 PolarHBondContact O-N 2.92Å
8G97.3Very high95.7Very high38 Ų3872.3 Ų72.339%0.39240%0.396SS..SBendtrans155.2-172.9-17900000111.2
9P96.9Very high95.8Very high53 Ų5371.8 Ų71.834%0.34440%0.396SS..  trans-69.2140.7176.430.2-33.5000110.5V12 L18 T19P9-V12 HydrophobicContact CB-CG2 4.09Å; P9-V12 HydrophobicContact CG-CG2 3.83Å; P9-L18 HydrophobicContact CG-CD1 3.62Å; P9-T19 VanDerWaalsContact CD-O 3.28Å; P9-T19 WeakPolarHBondContact CD-O 3.48Å
10T96.6Very high96Very high93 Ų9368.3 Ų68.357%0.57138%0.376SS*.SBendtrans-94.1-13.2175.354.70000112.7V116 T117T10-V116 WeakPolarHBondContact O-CA 3.44Å; T10-T117 PolarHBondContact O-N 3.02Å
11L97.9Very high96.1Very high107 Ų10766.5 Ų66.556%0.5637%0.367SS*.EExtended strand (participates in β ladder)trans-134.8128.3177.8-178.865000109.2T117 S119L11-T117 WeakPolarHBondContact CA-O 3.44Å; L11-T117 HydrophobicContact CD1-CG2 4.2Å; L11-S119 WeakPolarHBondContact CD1-OG 3.34Å
12V97.6Very high97Very high4 Ų456.3 Ų56.32%0.02432%0.32CS..EExtended strand (participates in β ladder)trans-135.7144.1178.7-178.30000108.5P9 Q16 L18 M87 V116 T117 V118 S119P9-V12 HydrophobicContact CB-CG2 4.09Å; P9-V12 HydrophobicContact CG-CG2 3.83Å; V12-Q16 HydrophobicContact CG1-CB 3.64Å; V12-L18 HydrophobicContact CG2-CD1 3.98Å; V12-M87 HydrophobicContact CG1-CB 4.26Å; V12-M87 HydrophobicContact CG1-CG 4.02Å; V12-V116 HydrophobicContact CG2-CG1 4.16Å; V12-T117 PolarHBondContact N-O 3.47Å; V12-V118 VanDerWaalsContact O-CA 3.23Å; V12-V118 WeakPolarHBondContact O-CA 3.4Å; V12-S119 PolarHBondContact O-N 2.57Å; V12-S119 VanDerWaalsContact O-N 3.11Å
13K97.7Very high97.4Very high103 Ų10355.9 Ų55.945%0.44832%0.32SS..  trans-84.7156.5175.7-59.8-165.6179.3-135.40111.1Q16 S120K13-Q16 HydrophobicContact CB-CG 4.06Å; K13-Q16 WeakPolarHBondContact O-CB 3.4Å; K13-Q16 PolarHBondContact O-N 2.89Å; K13-S120 WeakPolarHBondContact CE-OXT 3.07Å; K13-S120 PolarHBondContact NZ-OXT 2.78Å
14P97.9Very high97.5Very high46 Ų4653.1 Ų53.130%0.29930%0.303SS..THydrogen-bonded Turntrans-50.6148.9169.7-26.535.3000111.7Q16 M87 P89 V118P14-Q16 PolarHBondContact O-N 2.79Å; P14-M87 CarbonylContact C-O 3.56Å; P14-M87 VanDerWaalsContact CA-O 3.28Å; P14-M87 WeakPolarHBondContact CA-O 3.14Å; P14-P89 HydrophobicContact CG-CG 4.46Å; P14-V118 HydrophobicContact CG-CG1 4.31Å
15T96.9Very high97.4Very high114 Ų11455.2 Ų55.270%0.69932%0.318SS*.THydrogen-bonded Turntrans66.8-11.1-17773.90000116.5M87T15-M87 PolarHBondContact N-O 2.84Å
16Q97.8Very high97Very high97 Ų9751.1 Ų51.145%0.45332%0.318SS..PPolyproline II helixtrans-74171.1175.2-66.9-173.2-28.900111.7V12 K13 P14 N86 M87V12-Q16 HydrophobicContact CG1-CB 3.64Å; K13-Q16 HydrophobicContact CB-CG 4.06Å; K13-Q16 WeakPolarHBondContact O-CB 3.4Å; K13-Q16 PolarHBondContact O-N 2.89Å; P14-Q16 PolarHBondContact O-N 2.79Å; Q16-N86 PolarHBondContact O-N 2.85Å; Q16-M87 WeakPolarHBondContact O-CB 3.24Å; Q16-M87 WeakPolarHBondContact O-CG 3.08Å; Q16-M87 PolarHBondContact O-N 2.88Å
17T98.4Very high96.3Very high74 Ų7452.1 Ų52.145%0.45432%0.323SS..PPolyproline II helixtrans-100.6127.8175.4-62.10000109.9T83 M84 T85T17-T83 HydrophobicContact CG2-CG2 3.4Å; T17-M84 CarbonylContact C-O 3.49Å; T17-M84 WeakPolarHBondContact CA-O 3.14Å; T17-T85 HydrophobicContact CG2-CG2 4.16Å
18L98.4Very high95.9Very high0 Ų051.4 Ų51.40%032%0.317CS..EExtended strand (participates in β ladder)trans-88.7134.2168.6171.763.7000109.6P9 V12 L20 T83 M84 M87 Y95 V116P9-L18 HydrophobicContact CG-CD1 3.62Å; V12-L18 HydrophobicContact CG2-CD1 3.98Å; L18-L20 HydrophobicContact CD1-CD2 3.73Å; L18-L20 HydrophobicContact CD1-CG 3.85Å; L18-L20 HydrophobicContact CD2-CD1 4.05Å; L18-L20 HydrophobicContact CD2-CG 4.08Å; L18-L20 HydrophobicContact CG-CD1 4.46Å; L18-L20 HydrophobicContact CG-CD2 4.39Å; L18-L20 HydrophobicContact CG-CG 3.95Å; L18-T83 CarbonylContact O-C 3.6Å; L18-T83 VanDerWaalsContact O-CA 3.3Å; L18-T83 WeakPolarHBondContact O-CA 3.35Å; L18-M84 HydrophobicContact CB-CB 4.39Å; L18-M84 PolarHBondContact N-O 2.86Å; L18-M84 PolarHBondContact O-N 2.77Å; L18-M87 HydrophobicContact CB-CE 3.92Å; L18-M87 HydrophobicContact CB-CG 3.89Å; L18-M87 HydrophobicContact CB-SD 3.54Å; L18-M87 VanDerWaalsContact CB-SD 3.54Å; L18-M87 HydrophobicContact CD2-CE 3.65Å; L18-M87 HydrophobicContact CD2-SD 4.1Å; L18-M87 HydrophobicContact CG-CE 4.4Å; L18-M87 HydrophobicContact CG-SD 4.48Å; L18-Y95 HydrophobicContact CD2-CE1 4.23Å; L18-Y95 HydrophobicContact CD2-CE2 4.37Å; L18-V116 HydrophobicContact CD1-CG1 4.05Å; L18-V116 HydrophobicContact CD1-CG2 4.23Å; L18-V116 HydrophobicContact CD2-CG1 4.17Å; L18-V116 HydrophobicContact CD2-CG2 4.33Å
19T98.6Very high95.6Very high64 Ų6449.9 Ų49.939%0.39330%0.3SS..EExtended strand (participates in β ladder)trans-126.4114.8169.2-61.70000109.5P9 V81 L82P9-T19 VanDerWaalsContact CD-O 3.28Å; P9-T19 WeakPolarHBondContact CD-O 3.48Å; T19-V81 HydrophobicContact CG2-CG1 3.68Å; T19-L82 CarbonylContact C-O 3.57Å; T19-L82 WeakPolarHBondContact CA-O 3.23Å
20L98.7Very high95.4Very high0 Ų050.9 Ų50.90%031%0.309CS..EExtended strand (participates in β ladder)trans-110.8142.4175.9-63.5180000110.2S7 L18 W38 V81 L82 Y95 T114 V116S7-L20 WeakPolarHBondContact O-CA 3.31Å; L18-L20 HydrophobicContact CD1-CD2 3.73Å; L18-L20 HydrophobicContact CD1-CG 3.85Å; L18-L20 HydrophobicContact CD2-CD1 4.05Å; L18-L20 HydrophobicContact CD2-CG 4.08Å; L18-L20 HydrophobicContact CG-CD1 4.46Å; L18-L20 HydrophobicContact CG-CD2 4.39Å; L18-L20 HydrophobicContact CG-CG 3.95Å; L20-W38 HydrophobicContact CB-CH2 3.52Å; L20-W38 HydrophobicContact CB-CZ2 3.85Å; L20-W38 HydrophobicContact CB-CZ3 4.04Å; L20-W38 HydrophobicContact CD1-CE3 4.38Å; L20-W38 HydrophobicContact CD1-CH2 4.15Å; L20-W38 HydrophobicContact CD1-CZ3 3.8Å; L20-W38 HydrophobicContact CG-CH2 4.46Å; L20-V81 CarbonylContact O-C 3.52Å; L20-V81 VanDerWaalsContact O-CA 3.28Å; L20-V81 WeakPolarHBondContact O-CA 3.27Å; L20-V81 WeakPolarHBondContact O-CG1 3.34Å; L20-L82 HydrophobicContact CB-CB 4.47Å; L20-L82 PolarHBondContact N-O 2.8Å; L20-L82 PolarHBondContact O-N 2.84Å; L20-Y95 VanDerWaalsContact CD1-CB 3.41Å; L20-Y95 HydrophobicContact CD1-CD1 3.74Å; L20-Y95 HydrophobicContact CD1-CD2 4.2Å; L20-Y95 HydrophobicContact CD1-CG 3.52Å; L20-T114 HydrophobicContact CD1-CG2 4.1Å; L20-T114 HydrophobicContact CD2-CG2 3.9Å; L20-V116 HydrophobicContact CD1-CG2 4.35Å; L20-V116 HydrophobicContact CD2-CG2 4.13Å
21T98.6Very high95.1Very high31 Ų3149.4 Ų49.419%0.1930%0.299CS..EExtended strand (participates in β ladder)trans-118.7130.5176.5-59.50000109.6E6 S7 K79 V81E6-T21 CarbonylContact C-O 3.56Å; E6-T21 WeakPolarHBondContact CA-O 3.35Å; S7-T21 PolarHBondContact N-O 2.78Å; S7-T21 PolarHBondContact O-N 2.92Å; T21-K79 HydrophobicContact CG2-CB 4.18Å; T21-K79 HydrophobicContact CG2-CD 3.94Å; T21-K79 HydrophobicContact CG2-CG 4.04Å; T21-V81 HydrophobicContact CG2-CG2 4.31Å
22C97.9Very high94.7Very high0 Ų048.3 Ų48.30%030%0.301CS..EExtended strand (participates in β ladder)trans-104.4119.4167.8178.80000108.1K5 W38 K79 V80 C97K5-C22 WeakPolarHBondContact O-CA 3.38Å; C22-W38 HydrophobicContact CB-CH2 4.2Å; C22-W38 HydrophobicContact CB-CZ2 3.65Å; C22-K79 CarbonylContact O-C 3.56Å; C22-K79 VanDerWaalsContact O-CA 3.28Å; C22-K79 WeakPolarHBondContact O-CA 3.28Å; C22-V80 HydrophobicContact CB-CB 4.5Å; C22-V80 PolarHBondContact N-O 3.39Å; C22-V80 PolarHBondContact O-N 3.33Å; C22-C97 HydrophobicContact CB-CB 3.41Å; C22-C97 VanDerWaalsContact CB-CB 3.41Å; C22-C97 WeakPolarHBondContact CB-SG 3.4Å; C22-C97 WeakPolarHBondContact SG-CB 3.36Å; C22-C97 CovalentContact SG-SG 2.03Å; C22-C97 PolarHBondContact SG-SG 2.7Å
23T97.1Very high94.2Very high47 Ų4749.7 Ų49.729%0.28832%0.316SS..EExtended strand (participates in β ladder)trans-99.4126.5174-53.90000109K5 K79K5-T23 PolarHBondContact N-O 3.01Å; K5-T23 PolarHBondContact O-N 3.46Å; T23-K79 HydrophobicContact CG2-CG 4.43Å
24L94.2Very high93.8Very high7 Ų745.3 Ų45.34%0.03730%0.297CS..EExtended strand (participates in β ladder)trans-101.5140.5179-61.987.2000110T3 L4 F27 L29 V36 N78 V80 L99T3-L24 WeakPolarHBondContact O-CA 3.32Å; L4-L24 HydrophobicContact CD1-CD2 4.46Å; L4-L24 HydrophobicContact CG-CD2 4.41Å; L4-L24 HydrophobicContact CG-CG 4.24Å; L24-F27 HydrophobicContact CD2-CD1 4.32Å; L24-L29 HydrophobicContact CD1-CD1 4.31Å; L24-L29 HydrophobicContact CD1-CD2 3.97Å; L24-L29 HydrophobicContact CD1-CG 4.4Å; L24-L29 HydrophobicContact CD2-CD2 3.8Å; L24-L29 HydrophobicContact CG-CD2 4.49Å; L24-V36 HydrophobicContact CD1-CG2 4.49Å; L24-V36 HydrophobicContact CD2-CG2 3.79Å; L24-N78 HydrophobicContact CB-CB 4.33Å; L24-N78 WeakPolarHBondContact CD1-O 3.4Å; L24-N78 PolarHBondContact N-O 3.05Å; L24-V80 HydrophobicContact CD1-CG2 4.09Å; L24-L99 HydrophobicContact CD2-CD1 4.1Å
25S93.1Very high93.6Very high56 Ų5643.2 Ų43.239%0.39229%0.285SS..EExtended strand (participates in β ladder)trans-131.2151.3171.886.90000111.3I2 T3 F27I2-S25 WeakPolarHBondContact CA-O 3.28Å; T3-S25 PolarHBondContact N-O 2.84Å; T3-S25 PolarHBondContact O-N 3.2Å; T3-S25 PolarHBondContact OG1-OG 3.46Å; S25-F27 PolarHBondContact O-N 3.28Å
26G88.6Confident93.5Very high63 Ų6337.9 Ų37.965%0.64925%0.252SS*.SBendtrans72.312.6-176.700000114.7
27F84.7Confident93.4Very high40 Ų4033.2 Ų33.218%0.17523%0.23CC..SBendtrans-150.5157.2-177.9-173.8-100.9000111.6I2 L24 S25 T31 V34 N78 L99I2-F27 HydrophobicContact CD1-CB 4.36Å; I2-F27 HydrophobicContact CD1-CD2 4.08Å; I2-F27 HydrophobicContact CG1-CB 4.24Å; I2-F27 HydrophobicContact CG2-CB 4.08Å; L24-F27 HydrophobicContact CD2-CD1 4.32Å; S25-F27 PolarHBondContact O-N 3.28Å; F27-T31 HydrophobicContact CE2-CG2 4.22Å; F27-T31 HydrophobicContact CZ-CG2 4.12Å; F27-V34 HydrophobicContact CE1-CB 4.34Å; F27-V34 HydrophobicContact CE1-CG2 3.7Å; F27-V34 HydrophobicContact CE2-CG1 4.44Å; F27-V34 HydrophobicContact CZ-CB 3.9Å; F27-V34 HydrophobicContact CZ-CG1 3.69Å; F27-V34 HydrophobicContact CZ-CG2 3.57Å; F27-N78 PolarHBondContact O-ND2 2.97Å; F27-L99 HydrophobicContact CD1-CD1 3.91Å; F27-L99 HydrophobicContact CD1-CD2 4.22Å; F27-L99 HydrophobicContact CD2-CD2 4.28Å; F27-L99 HydrophobicContact CE1-CD1 3.65Å; F27-L99 HydrophobicContact CE1-CD2 4.3Å; F27-L99 HydrophobicContact CE2-CD2 4.37Å; F27-L99 HydrophobicContact CG-CD2 4.21Å; F27-L99 HydrophobicContact CZ-CD1 4.26Å; F27-L99 HydrophobicContact CZ-CD2 4.38Å
28S89.9Confident93.4Very high42 Ų4229.7 Ų29.729%0.29421%0.209SC..  trans-115.8127.2176.3-174.10000112.2S30 T31S28-S30 PolarHBondContact O-N 3.23Å; S28-S30 PolarHBondContact OG-N 2.97Å; S28-S30 PolarHBondContact OG-OG 3.15Å; S28-T31 WeakPolarHBondContact O-CB 3.37Å; S28-T31 PolarHBondContact O-N 2.79Å; S28-T31 VanDerWaalsContact O-N 3.08Å; S28-T31 PolarHBondContact O-OG1 2.95Å; S28-T31 VanDerWaalsContact O-OG1 3.11Å
29L91Very high93.4Very high7 Ų730 Ų304%0.03721%0.21CC..THydrogen-bonded Turntrans-64.8-8.5176.1-68.7176.8000114.7L24 V36 K73 T75 N78 V80L24-L29 HydrophobicContact CD1-CD1 4.31Å; L24-L29 HydrophobicContact CD1-CD2 3.97Å; L24-L29 HydrophobicContact CD1-CG 4.4Å; L24-L29 HydrophobicContact CD2-CD2 3.8Å; L24-L29 HydrophobicContact CG-CD2 4.49Å; L29-V36 HydrophobicContact CD2-CG2 3.5Å; L29-K73 HydrophobicContact CD1-CB 4.23Å; L29-T75 HydrophobicContact CB-CG2 4.04Å; L29-N78 PolarHBondContact N-OD1 2.84Å; L29-N78 VanDerWaalsContact N-OD1 3.12Å; L29-V80 HydrophobicContact CD1-CG2 3.7Å; L29-V80 HydrophobicContact CD2-CG2 3.87Å; L29-V80 HydrophobicContact CG-CG2 4.48Å
30S90.9Very high93.3Very high74 Ų7427.4 Ų27.452%0.51719%0.193SC..THydrogen-bonded Turntrans-90-5174.761.10000114S28 S32S28-S30 PolarHBondContact O-N 3.23Å; S28-S30 PolarHBondContact OG-N 2.97Å; S28-S30 PolarHBondContact OG-OG 3.15Å; S30-S32 PolarHBondContact O-N 2.79Å
31T90.6Very high93.3Very high61 Ų6131 Ų3137%0.37421%0.21SC..SBendtrans-62.9125.4179.2-62.30000110.3F27 S28 V34 W55F27-T31 HydrophobicContact CE2-CG2 4.22Å; F27-T31 HydrophobicContact CZ-CG2 4.12Å; S28-T31 WeakPolarHBondContact O-CB 3.37Å; S28-T31 PolarHBondContact O-N 2.79Å; S28-T31 VanDerWaalsContact O-N 3.08Å; S28-T31 PolarHBondContact O-OG1 2.95Å; S28-T31 VanDerWaalsContact O-OG1 3.11Å; T31-V34 HydrophobicContact CG2-CG1 4Å; T31-V34 WeakPolarHBondContact O-CG2 3.41Å; T31-V34 PolarHBondContact O-N 2.83Å; T31-W55 WeakPolarHBondContact O-CB 3.47Å
32S90.1Very high93.3Very high85 Ų8530.1 Ų30.159%0.59421%0.205SC*.THydrogen-bonded Turntrans-61.2141.7-176.3-170.20000112.3S30 V34 W55S30-S32 PolarHBondContact O-N 2.79Å; S32-V34 VanDerWaalsContact C-N 3.34Å; S32-W55 WeakPolarHBondContact OG-CZ2 3.44Å
33G87.8Confident93.2Very high33 Ų3334.4 Ų34.434%0.3423%0.233SC..THydrogen-bonded Turntrans76.216.8177.400000114.7W55 W100G33-W55 VanDerWaalsContact N-NE1 3.13Å; G33-W100 WeakPolarHBondContact O-CZ3 3.46Å
34V88.6Confident93.2Very high10 Ų1036.6 Ų36.66%0.06126%0.264CS..EExtended strand (participates in β ladder)trans-115.4163.5177-48.40000111.9F27 T31 S32 Y54 W55 W100F27-V34 HydrophobicContact CE1-CB 4.34Å; F27-V34 HydrophobicContact CE1-CG2 3.7Å; F27-V34 HydrophobicContact CE2-CG1 4.44Å; F27-V34 HydrophobicContact CZ-CB 3.9Å; F27-V34 HydrophobicContact CZ-CG1 3.69Å; F27-V34 HydrophobicContact CZ-CG2 3.57Å; T31-V34 HydrophobicContact CG2-CG1 4Å; T31-V34 WeakPolarHBondContact O-CG2 3.41Å; T31-V34 PolarHBondContact O-N 2.83Å; S32-V34 VanDerWaalsContact C-N 3.34Å; V34-Y54 CarbonylContact O-C 3.52Å; V34-Y54 WeakPolarHBondContact O-CA 3.23Å; V34-W55 HydrophobicContact CG2-CB 4.24Å; V34-W55 PolarHBondContact O-N 3.3Å; V34-W100 CarbonylContact C-O 3.59Å; V34-W100 VanDerWaalsContact CA-O 3.24Å; V34-W100 WeakPolarHBondContact CA-O 3.41Å; V34-W100 WeakPolarHBondContact CB-O 3.16Å
35G92.8Very high93.4Very high3 Ų342.3 Ų42.33%0.03129%0.289CS..EExtended strand (participates in β ladder)trans-155.9167.1174.600000111.2I53 W100G35-I53 CarbonylContact C-O 3.48Å; G35-I53 WeakPolarHBondContact CA-O 3.25Å; G35-W100 PolarHBondContact N-O 2.94Å; G35-W100 WeakPolarHBondContact O-CA 3.32Å; G35-W100 WeakPolarHBondContact O-CB 3.45Å; G35-W100 PolarHBondContact O-N 2.66Å; G35-W100 VanDerWaalsContact O-O 3.08Å
36V95.3Very high93.5Very high1 Ų143.6 Ų43.61%0.00630%0.303CS..EExtended strand (participates in β ladder)trans-125.9123.7175.9179.60000109.1L24 L29 L52 I53 V80 C97 A98 L99L24-V36 HydrophobicContact CD1-CG2 4.49Å; L24-V36 HydrophobicContact CD2-CG2 3.79Å; L29-V36 HydrophobicContact CD2-CG2 3.5Å; V36-L52 WeakPolarHBondContact O-CA 3.41Å; V36-L52 WeakPolarHBondContact O-CD1 3.42Å; V36-I53 PolarHBondContact N-O 3.08Å; V36-I53 PolarHBondContact O-N 3.35Å; V36-I53 VanDerWaalsContact O-N 3.07Å; V36-V80 HydrophobicContact CB-CB 4.35Å; V36-V80 HydrophobicContact CB-CG1 4.24Å; V36-V80 HydrophobicContact CB-CG2 3.84Å; V36-V80 HydrophobicContact CG1-CB 4.06Å; V36-V80 HydrophobicContact CG1-CG1 4.07Å; V36-V80 HydrophobicContact CG1-CG2 4.01Å; V36-V80 HydrophobicContact CG2-CG2 3.97Å; V36-C97 HydrophobicContact CG1-CB 4.34Å; V36-A98 WeakPolarHBondContact CA-O 3.47Å; V36-L99 HydrophobicContact CG2-CD1 3.91Å
37G96.1Very high93.9Very high0 Ų044.9 Ų44.90%029%0.294CS..EExtended strand (participates in β ladder)trans-99.6146.717900000111.8A51 C97 A98G37-A51 CarbonylContact C-O 3.58Å; G37-A51 VanDerWaalsContact CA-O 3.24Å; G37-A51 WeakPolarHBondContact CA-O 3.29Å; G37-C97 CarbonylContact O-C 3.57Å; G37-C97 VanDerWaalsContact O-CA 3.28Å; G37-C97 WeakPolarHBondContact O-CA 3.47Å; G37-A98 PolarHBondContact N-O 3.06Å; G37-A98 PolarHBondContact O-N 3.37Å
38W98.1Very high94.5Very high0 Ų044.4 Ų44.40%029%0.292CS..EExtended strand (participates in β ladder)trans-102.6132161.3-81.694.8000109.8E6 L20 C22 L50 A51 L82 Y96 C97E6-W38 HydrophobicContact CB-CH2 4.18Å; E6-W38 HydrophobicContact CG-CH2 3.75Å; E6-W38 HydrophobicContact CG-CZ3 3.82Å; L20-W38 HydrophobicContact CB-CH2 3.52Å; L20-W38 HydrophobicContact CB-CZ2 3.85Å; L20-W38 HydrophobicContact CB-CZ3 4.04Å; L20-W38 HydrophobicContact CD1-CE3 4.38Å; L20-W38 HydrophobicContact CD1-CH2 4.15Å; L20-W38 HydrophobicContact CD1-CZ3 3.8Å; L20-W38 HydrophobicContact CG-CH2 4.46Å; C22-W38 HydrophobicContact CB-CH2 4.2Å; C22-W38 HydrophobicContact CB-CZ2 3.65Å; W38-L50 HydrophobicContact CB-CB 4.39Å; W38-L50 WeakPolarHBondContact O-CB 3.24Å; W38-L50 PolarHBondContact O-N 3.21Å; W38-A51 PolarHBondContact N-O 2.62Å; W38-A51 PolarHBondContact O-N 3.12Å; W38-L82 HydrophobicContact CB-CD1 4.27Å; W38-L82 HydrophobicContact CB-CD2 3.96Å; W38-L82 HydrophobicContact CD2-CB 3.85Å; W38-L82 HydrophobicContact CD2-CD2 4.03Å; W38-L82 HydrophobicContact CE3-CD2 4.28Å; W38-L82 HydrophobicContact CG-CB 3.8Å; W38-L82 HydrophobicContact CG-CD1 4.27Å; W38-L82 HydrophobicContact CG-CD2 3.91Å; W38-L82 HydrophobicContact CG-CG 4.22Å; W38-L82 HydrophobicContact CZ2-CB 4.34Å; W38-Y96 WeakPolarHBondContact CA-O 3.18Å; W38-Y96 VanDerWaalsContact CE3-O 3.28Å; W38-C97 HydrophobicContact CD2-CB 4.33Å; W38-C97 HydrophobicContact CE3-CB 4.41Å; W38-C97 HydrophobicContact CH2-CB 4.42Å; W38-C97 HydrophobicContact CZ2-CB 4.36Å; W38-C97 HydrophobicContact CZ3-CB 4.44Å
39I97.9Very high94.8Very high6 Ų646 Ų463%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-129.9145.8-179.9-57.593000107L47 E48 Y95 Y96 A98 F107 W110I39-L47 HydrophobicContact CG2-CB 3.88Å; I39-L47 HydrophobicContact CG2-CD2 3.69Å; I39-L47 HydrophobicContact CG2-CG 4.32Å; I39-E48 CarbonylContact C-O 3.46Å; I39-E48 WeakPolarHBondContact CA-O 3.49Å; I39-E48 WeakPolarHBondContact CG2-O 3.43Å; I39-Y95 CarbonylContact O-C 3.47Å; I39-Y95 WeakPolarHBondContact O-CA 3.24Å; I39-Y96 PolarHBondContact N-O 2.79Å; I39-Y96 PolarHBondContact O-N 2.84Å; I39-A98 HydrophobicContact CD1-CB 3.69Å; I39-F107 HydrophobicContact CD1-CE1 4.48Å; I39-W110 HydrophobicContact CB-CH2 4.1Å; I39-W110 HydrophobicContact CB-CZ3 3.93Å; I39-W110 HydrophobicContact CD1-CH2 3.81Å; I39-W110 HydrophobicContact CD1-CZ2 4.48Å; I39-W110 HydrophobicContact CD1-CZ3 3.92Å; I39-W110 HydrophobicContact CG1-CH2 3.86Å; I39-W110 HydrophobicContact CG1-CZ3 4.11Å; I39-W110 HydrophobicContact CG2-CH2 4.08Å; I39-W110 HydrophobicContact CG2-CZ3 4.1Å
40R97.8Very high95.1Very high10 Ų1045.6 Ų45.64%0.03829%0.29CS..EExtended strand (participates in β ladder)trans-124.4153.6170.770.6176.6-178.8-175.94.5111.9E48 L50 D91 A93 T94 Y95R40-E48 HydrophobicContact CG-CB 4.14Å; R40-E48 HydrophobicContact CG-CG 4.34Å; R40-E48 IonicContact CZ-OE2 3.46Å; R40-E48 PolarHBondContact N-O 3.18Å; R40-E48 IonicContact NE-OE2 3.94Å; R40-E48 PolarHBondContact NE-OE2 2.71Å; R40-E48 IonicContact NH2-OE2 2.77Å; R40-E48 PolarHBondContact NH2-OE2 2.93Å; R40-E48 PolarHBondContact O-N 3.02Å; R40-L50 HydrophobicContact CB-CD1 4.11Å; R40-L50 HydrophobicContact CG-CD1 4.13Å; R40-L50 HydrophobicContact CG-CD2 3.97Å; R40-L50 HydrophobicContact CG-CG 4.18Å; R40-D91 IonicContact CZ-OD1 2.79Å; R40-D91 IonicContact NH1-OD1 3.6Å; R40-D91 PolarHBondContact NH1-OD1 3.1Å; R40-D91 IonicContact NH2-OD1 2.89Å; R40-A93 HydrophobicContact CB-CB 3.87Å; R40-A93 HydrophobicContact CG-CB 4.29Å; R40-T94 CarbonylContact C-O 3.53Å; R40-T94 VanDerWaalsContact CA-O 3.25Å; R40-T94 WeakPolarHBondContact CA-O 3.28Å; R40-Y95 HydrophobicContact CB-CD1 3.84Å; R40-Y95 HydrophobicContact CB-CE1 3.86Å; R40-Y95 HydrophobicContact CB-CG 4.19Å
41Q98.4Very high95.4Very high74 Ų7442.1 Ų42.135%0.34627%0.266SS..EExtended strand (participates in β ladder)trans-126.8104.4171.9-166.6176.821.600109.9K45 L47 A93 T94 Y96Q41-K45 VanDerWaalsContact CG-O 3.32Å; Q41-K45 WeakPolarHBondContact CG-O 3.4Å; Q41-K45 PolarHBondContact NE2-O 2.83Å; Q41-L47 HydrophobicContact CB-CD2 3.82Å; Q41-L47 HydrophobicContact CG-CD2 4.29Å; Q41-A93 WeakPolarHBondContact O-CA 3.28Å; Q41-A93 WeakPolarHBondContact O-CB 3.39Å; Q41-T94 PolarHBondContact N-O 3.25Å; Q41-T94 PolarHBondContact O-N 2.8Å; Q41-Y96 HydrophobicContact CB-CE2 3.92Å
42P97.9Very high95.7Very high13 Ų1339.7 Ų39.78%0.08425%0.25CS..  trans-64.4150.4169.1-18.631.2000110.9G44 K45 A93P42-G44 PolarHBondContact O-N 2.99Å; P42-K45 HydrophobicContact CB-CB 4.05Å; P42-K45 HydrophobicContact CB-CD 3.96Å; P42-K45 HydrophobicContact CB-CG 4.16Å; P42-K45 HydrophobicContact CG-CB 4.28Å; P42-K45 HydrophobicContact CG-CD 4.26Å; P42-K45 PolarHBondContact O-N 3.11Å; P42-A93 HydrophobicContact CG-CB 4.36Å
43P96.8Very high96Very high91 Ų9135.8 Ų35.859%0.59122%0.223SC*.THydrogen-bonded Turntrans-53.4126.6177.4-26.334.6000112K45 T92 M115P43-K45 VanDerWaalsContact C-N 3.25Å; P43-K45 PolarHBondContact O-N 2.96Å; P43-T92 WeakPolarHBondContact CD-O 3.06Å; P43-M115 HydrophobicContact CG-CE 4.33Å
44G97Very high96.4Very high92 Ų9235.5 Ų35.595%0.94821%0.212SC*.THydrogen-bonded Turntrans70.811.818000000115.5P42P42-G44 PolarHBondContact O-N 2.99Å
45K97.1Very high96.6Very high127 Ų12739.9 Ų39.955%0.55223%0.227SC*.SBendtrans-119.3165179.3-59.4-168.3-175.2175.50112.4Q41 P42 P43Q41-K45 VanDerWaalsContact CG-O 3.32Å; Q41-K45 WeakPolarHBondContact CG-O 3.4Å; Q41-K45 PolarHBondContact NE2-O 2.83Å; P42-K45 HydrophobicContact CB-CB 4.05Å; P42-K45 HydrophobicContact CB-CD 3.96Å; P42-K45 HydrophobicContact CB-CG 4.16Å; P42-K45 HydrophobicContact CG-CB 4.28Å; P42-K45 HydrophobicContact CG-CD 4.26Å; P42-K45 PolarHBondContact O-N 3.11Å; P43-K45 VanDerWaalsContact C-N 3.25Å; P43-K45 PolarHBondContact O-N 2.96Å
46A96.7Very high96.7Very high83 Ų8344 Ų4469%0.68625%0.249SC*.  trans-69.3163.7173.100000111.9
47L96.8Very high96.7Very high91 Ų9147.7 Ų47.748%0.47627%0.268SS..  trans-63.8136.8173.9-71164.2000111.2I39 Q41 Y96 W110I39-L47 HydrophobicContact CG2-CB 3.88Å; I39-L47 HydrophobicContact CG2-CD2 3.69Å; I39-L47 HydrophobicContact CG2-CG 4.32Å; Q41-L47 HydrophobicContact CB-CD2 3.82Å; Q41-L47 HydrophobicContact CG-CD2 4.29Å; L47-Y96 HydrophobicContact CD2-CD2 4.24Å; L47-Y96 HydrophobicContact CD2-CE2 4.21Å; L47-W110 HydrophobicContact CD1-CH2 4.17Å; L47-W110 HydrophobicContact CD2-CZ3 4.4Å
48E96.6Very high96.7Very high29 Ų2951 Ų5114%0.13629%0.286CS..EExtended strand (participates in β ladder)trans-122.7112.3177.4165.8165.8-131.100109.3I39 R40 L50 R62I39-E48 CarbonylContact C-O 3.46Å; I39-E48 WeakPolarHBondContact CA-O 3.49Å; I39-E48 WeakPolarHBondContact CG2-O 3.43Å; R40-E48 HydrophobicContact CG-CB 4.14Å; R40-E48 HydrophobicContact CG-CG 4.34Å; R40-E48 IonicContact CZ-OE2 3.46Å; R40-E48 PolarHBondContact N-O 3.18Å; R40-E48 IonicContact NE-OE2 3.94Å; R40-E48 PolarHBondContact NE-OE2 2.71Å; R40-E48 IonicContact NH2-OE2 2.77Å; R40-E48 PolarHBondContact NH2-OE2 2.93Å; R40-E48 PolarHBondContact O-N 3.02Å; E48-L50 HydrophobicContact CG-CD2 4.19Å; E48-R62 IonicContact OE1-CZ 2.86Å; E48-R62 IonicContact OE1-NE 2.71Å; E48-R62 PolarHBondContact OE1-NE 2.99Å; E48-R62 IonicContact OE1-NH1 3.57Å; E48-R62 IonicContact OE1-NH2 2.92Å; E48-R62 PolarHBondContact OE1-NH2 2.8Å
49W96.1Very high96.7Very high75 Ų7554.8 Ų54.828%0.28430%0.302SS..EExtended strand (participates in β ladder)trans-67.1139.2171.5172.579.6000111.1A51 L52 R60 R62W49-A51 VanDerWaalsContact CZ2-C 3.47Å; W49-A51 VanDerWaalsContact NE1-C 3.3Å; W49-A51 PolarHBondContact NE1-O 2.77Å; W49-L52 HydrophobicContact CZ2-CB 3.63Å; W49-R60 HydrophobicContact CH2-CB 3.8Å; W49-R60 HydrophobicContact CZ2-CB 3.94Å; W49-R60 WeakPolarHBondContact CZ2-O 3.09Å; W49-R62 HydrophobicContact CE3-CB 3.96Å; W49-R62 VanDerWaalsContact CZ3-CA 3.49Å; W49-R62 HydrophobicContact CZ3-CB 3.98Å; W49-R62 WeakPolarHBondContact O-CB 3.4Å; W49-R62 WeakPolarHBondContact O-CD 3.32Å
50L97.8Very high96.6Very high0 Ų060.6 Ų60.60%032%0.324CS..EExtended strand (participates in β ladder)trans-110.2-56.9-176.4-60.9179.4000112.2W38 R40 E48 R62 L65 L69 L82 Y95W38-L50 HydrophobicContact CB-CB 4.39Å; W38-L50 WeakPolarHBondContact O-CB 3.24Å; W38-L50 PolarHBondContact O-N 3.21Å; R40-L50 HydrophobicContact CB-CD1 4.11Å; R40-L50 HydrophobicContact CG-CD1 4.13Å; R40-L50 HydrophobicContact CG-CD2 3.97Å; R40-L50 HydrophobicContact CG-CG 4.18Å; E48-L50 HydrophobicContact CG-CD2 4.19Å; L50-R62 PolarHBondContact O-N 3.06Å; L50-L65 HydrophobicContact CD2-CD1 3.52Å; L50-L69 HydrophobicContact CB-CD1 4.05Å; L50-L69 VanDerWaalsContact O-CD1 3.29Å; L50-L69 WeakPolarHBondContact O-CD1 3.18Å; L50-L82 HydrophobicContact CD1-CD2 3.81Å; L50-Y95 HydrophobicContact CD1-CD1 3.85Å; L50-Y95 HydrophobicContact CD1-CE1 3.66Å
51A97.8Very high96.7Very high0 Ų062.6 Ų62.60%033%0.332CS..EExtended strand (participates in β ladder)trans-154157.4-175.200000110.9G37 W38 W49 R60 Y61 I71 L82G37-A51 CarbonylContact C-O 3.58Å; G37-A51 VanDerWaalsContact CA-O 3.24Å; G37-A51 WeakPolarHBondContact CA-O 3.29Å; W38-A51 PolarHBondContact N-O 2.62Å; W38-A51 PolarHBondContact O-N 3.12Å; W49-A51 VanDerWaalsContact CZ2-C 3.47Å; W49-A51 VanDerWaalsContact NE1-C 3.3Å; W49-A51 PolarHBondContact NE1-O 2.77Å; A51-R60 CarbonylContact C-O 3.56Å; A51-R60 WeakPolarHBondContact CA-O 3.28Å; A51-Y61 HydrophobicContact CB-CD1 3.82Å; A51-Y61 HydrophobicContact CB-CE1 4.13Å; A51-I71 HydrophobicContact CB-CB 3.97Å; A51-I71 HydrophobicContact CB-CD1 3.98Å; A51-I71 HydrophobicContact CB-CG2 4.05Å; A51-L82 HydrophobicContact CB-CD1 4.29Å
52L96.4Very high96.6Very high10 Ų1063.2 Ų63.25%0.05233%0.331CS..EExtended strand (participates in β ladder)trans-140.5136177.8177.559.5000108.2V36 W49 Y54 K59 R60 W100V36-L52 WeakPolarHBondContact O-CA 3.41Å; V36-L52 WeakPolarHBondContact O-CD1 3.42Å; W49-L52 HydrophobicContact CZ2-CB 3.63Å; L52-Y54 HydrophobicContact CD2-CE1 4.01Å; L52-Y54 HydrophobicContact CD2-CE2 3.64Å; L52-Y54 WeakPolarHBondContact CD2-OH 3.42Å; L52-Y54 HydrophobicContact CG-CD2 4.34Å; L52-Y54 HydrophobicContact CG-CE1 4.49Å; L52-Y54 HydrophobicContact CG-CE2 3.9Å; L52-K59 WeakPolarHBondContact O-CA 3.47Å; L52-R60 HydrophobicContact CB-CB 4.4Å; L52-R60 PolarHBondContact N-O 3.35Å; L52-R60 PolarHBondContact O-N 3.09Å; L52-W100 HydrophobicContact CD1-CB 4.33Å
53I97.2Very high96.5Very high3 Ų368 Ų682%0.01536%0.362CS..EExtended strand (participates in β ladder)trans-124127.8172.4-168.6166.3000109.9G35 V36 D58 K59 I71 K73 V80G35-I53 CarbonylContact C-O 3.48Å; G35-I53 WeakPolarHBondContact CA-O 3.25Å; V36-I53 PolarHBondContact N-O 3.08Å; V36-I53 PolarHBondContact O-N 3.35Å; V36-I53 VanDerWaalsContact O-N 3.07Å; I53-D58 CarbonylContact C-O 3.46Å; I53-D58 WeakPolarHBondContact CA-O 3.41Å; I53-K59 HydrophobicContact CB-CG 4.46Å; I53-K59 HydrophobicContact CD1-CD 4.35Å; I53-K59 HydrophobicContact CD1-CG 3.98Å; I53-K59 HydrophobicContact CG1-CG 3.91Å; I53-I71 HydrophobicContact CB-CD1 3.91Å; I53-I71 HydrophobicContact CB-CG1 4.11Å; I53-I71 HydrophobicContact CB-CG2 4.14Å; I53-I71 HydrophobicContact CG2-CD1 3.71Å; I53-I71 HydrophobicContact CG2-CG1 3.98Å; I53-K73 HydrophobicContact CD1-CB 4.02Å; I53-K73 HydrophobicContact CD1-CD 4.11Å; I53-K73 HydrophobicContact CD1-CG 3.84Å; I53-K73 HydrophobicContact CG1-CD 4.27Å; I53-K73 HydrophobicContact CG2-CB 4.43Å; I53-V80 HydrophobicContact CG2-CG1 3.76Å; I53-V80 HydrophobicContact CG2-CG2 4.36Å
54Y94.8Very high96.4Very high28 Ų2867.8 Ų67.811%0.1136%0.363CS..EExtended strand (participates in β ladder)trans-91.9167.4-178.7-69.8-83.5000112.5V34 L52 D56 D57 D58 R60 K73 W100V34-Y54 CarbonylContact O-C 3.52Å; V34-Y54 WeakPolarHBondContact O-CA 3.23Å; L52-Y54 HydrophobicContact CD2-CE1 4.01Å; L52-Y54 HydrophobicContact CD2-CE2 3.64Å; L52-Y54 WeakPolarHBondContact CD2-OH 3.42Å; L52-Y54 HydrophobicContact CG-CD2 4.34Å; L52-Y54 HydrophobicContact CG-CE1 4.49Å; L52-Y54 HydrophobicContact CG-CE2 3.9Å; Y54-D56 VanDerWaalsContact CB-OD1 3.24Å; Y54-D56 WeakPolarHBondContact CB-OD1 3.27Å; Y54-D56 PolarHBondContact O-N 3.01Å; Y54-D57 PolarHBondContact O-N 3.43Å; Y54-D58 HydrophobicContact CD2-CB 3.97Å; Y54-D58 PolarHBondContact N-O 3.05Å; Y54-R60 HydrophobicContact CE2-CG 4.14Å; Y54-K73 PolarHBondContact O-NZ 2.95Å; Y54-W100 AromaticContact CD1-CE3 3.94Å; Y54-W100 HydrophobicContact CD1-CE3 3.94Å; Y54-W100 AromaticContact CD1-CZ3 3.78Å; Y54-W100 HydrophobicContact CD1-CZ3 3.78Å; Y54-W100 HydrophobicContact CE1-CD2 4.08Å; Y54-W100 AromaticContact CE1-CE3 3.47Å; Y54-W100 HydrophobicContact CE1-CE3 3.47Å; Y54-W100 VanDerWaalsContact CE1-CE3 3.47Å; Y54-W100 AromaticContact CE1-CH2 3.75Å; Y54-W100 HydrophobicContact CE1-CH2 3.75Å; Y54-W100 HydrophobicContact CE1-CZ2 4.32Å; Y54-W100 AromaticContact CE1-CZ3 3.31Å; Y54-W100 HydrophobicContact CE1-CZ3 3.31Å
55W93.4Very high96.3Very high101 Ų10164 Ų6438%0.38332%0.321SS..THydrogen-bonded Turntrans-55.8-28.1178.270.7-80.7000114T31 S32 G33 V34 K73T31-W55 WeakPolarHBondContact O-CB 3.47Å; S32-W55 WeakPolarHBondContact OG-CZ2 3.44Å; G33-W55 VanDerWaalsContact N-NE1 3.13Å; V34-W55 HydrophobicContact CG2-CB 4.24Å; V34-W55 PolarHBondContact O-N 3.3Å; W55-K73 PolarHBondContact O-NZ 3.36Å
56D94.6Very high96.2Very high90 Ų9064.4 Ų64.448%0.48132%0.323SS..THydrogen-bonded Turntrans-95.511.3178.462.2-4.1000113.6Y54 D58Y54-D56 VanDerWaalsContact CB-OD1 3.24Å; Y54-D56 WeakPolarHBondContact CB-OD1 3.27Å; Y54-D56 PolarHBondContact O-N 3.01Å; D56-D58 VanDerWaalsContact C-N 3.28Å; D56-D58 PolarHBondContact O-N 2.81Å; D56-D58 WeakPolarHBondContact OD1-CB 3.24Å; D56-D58 PolarHBondContact OD1-N 2.82Å; D56-D58 VanDerWaalsContact OD1-N 3.14Å
57D95.7Very high96.2Very high79 Ų7966 Ų6642%0.42233%0.328SS..  trans71.29.6-177.6-85.8-59.1000116Y54 K59 K73Y54-D57 PolarHBondContact O-N 3.43Å; D57-K59 WeakPolarHBondContact O-CG 3.44Å; D57-K59 PolarHBondContact O-N 3.31Å; D57-K59 PolarHBondContact O-NZ 3.25Å; D57-K59 IonicContact OD1-NZ 3.78Å; D57-K73 VanDerWaalsContact CG-CE 3.41Å; D57-K73 WeakPolarHBondContact OD1-CE 3.49Å; D57-K73 IonicContact OD1-NZ 3.63Å; D57-K73 WeakPolarHBondContact OD2-CE 3.45Å; D57-K73 IonicContact OD2-NZ 2.99Å
58D96.3Very high96.2Very high69 Ų6963.7 Ų63.737%0.36931%0.313SS..  trans-60.3132.6166.5-177.834.1000110I53 Y54 D56 R60I53-D58 CarbonylContact C-O 3.46Å; I53-D58 WeakPolarHBondContact CA-O 3.41Å; Y54-D58 HydrophobicContact CD2-CB 3.97Å; Y54-D58 PolarHBondContact N-O 3.05Å; D56-D58 VanDerWaalsContact C-N 3.28Å; D56-D58 PolarHBondContact O-N 2.81Å; D56-D58 WeakPolarHBondContact OD1-CB 3.24Å; D56-D58 PolarHBondContact OD1-N 2.82Å; D56-D58 VanDerWaalsContact OD1-N 3.14Å; D58-R60 IonicContact OD2-NE 3.18Å; D58-R60 PolarHBondContact OD2-NE 3.39Å; D58-R60 IonicContact OD2-NH2 3.58Å
59K97.6Very high96.3Very high79 Ų7962.6 Ų62.634%0.34331%0.309SS..EExtended strand (participates in β ladder)trans-123.1124.3-174.3-67.7171.2-170.767.80109.6L52 I53 D57 Y61 I71L52-K59 WeakPolarHBondContact O-CA 3.47Å; I53-K59 HydrophobicContact CB-CG 4.46Å; I53-K59 HydrophobicContact CD1-CD 4.35Å; I53-K59 HydrophobicContact CD1-CG 3.98Å; I53-K59 HydrophobicContact CG1-CG 3.91Å; D57-K59 WeakPolarHBondContact O-CG 3.44Å; D57-K59 PolarHBondContact O-N 3.31Å; D57-K59 PolarHBondContact O-NZ 3.25Å; D57-K59 IonicContact OD1-NZ 3.78Å; K59-Y61 HydrophobicContact CB-CE2 3.82Å; K59-I71 HydrophobicContact CB-CG2 4.22Å; K59-I71 HydrophobicContact CD-CG2 4.23Å; K59-I71 WeakPolarHBondContact CD-O 3.34Å; K59-I71 VanDerWaalsContact CE-O 3.24Å; K59-I71 WeakPolarHBondContact CE-O 3.46Å; K59-I71 HydrophobicContact CG-CG2 3.97Å
60R96.9Very high96.4Very high129 Ų12962.3 Ų62.349%0.48732%0.315SS..EExtended strand (participates in β ladder)trans-114.9142.5173.8-56.5-169.4-176.7179.21.9109.7W49 A51 L52 Y54 D58W49-R60 HydrophobicContact CH2-CB 3.8Å; W49-R60 HydrophobicContact CZ2-CB 3.94Å; W49-R60 WeakPolarHBondContact CZ2-O 3.09Å; A51-R60 CarbonylContact C-O 3.56Å; A51-R60 WeakPolarHBondContact CA-O 3.28Å; L52-R60 HydrophobicContact CB-CB 4.4Å; L52-R60 PolarHBondContact N-O 3.35Å; L52-R60 PolarHBondContact O-N 3.09Å; Y54-R60 HydrophobicContact CE2-CG 4.14Å; D58-R60 IonicContact OD2-NE 3.18Å; D58-R60 PolarHBondContact OD2-NE 3.39Å; D58-R60 IonicContact OD2-NH2 3.58Å
61Y98Very high96.5Very high51 Ų5162.3 Ų62.320%0.232%0.315CS..EExtended strand (participates in β ladder)trans-130.9149.1-179-61.2-84.7000110.3A51 K59 P63 K66 L69 I71A51-Y61 HydrophobicContact CB-CD1 3.82Å; A51-Y61 HydrophobicContact CB-CE1 4.13Å; K59-Y61 HydrophobicContact CB-CE2 3.82Å; Y61-P63 WeakPolarHBondContact O-CD 3.21Å; Y61-K66 HydrophobicContact CD2-CG 4.46Å; Y61-K66 HydrophobicContact CG-CG 4.31Å; Y61-L69 HydrophobicContact CD1-CB 3.76Å; Y61-L69 HydrophobicContact CE1-CB 4.13Å; Y61-L69 WeakPolarHBondContact CE1-O 3.5Å; Y61-I71 HydrophobicContact CE1-CB 4.34Å; Y61-I71 HydrophobicContact CE1-CG2 3.82Å; Y61-I71 PolarHBondContact OH-N 3.07Å
62R96.6Very high96.5Very high87 Ų8765.4 Ų65.433%0.32833%0.334SS..  trans-63.6121.7169.7-179.5163.9176134.9-14.1109.4E48 W49 L50 S64 L65 K66E48-R62 IonicContact OE1-CZ 2.86Å; E48-R62 IonicContact OE1-NE 2.71Å; E48-R62 PolarHBondContact OE1-NE 2.99Å; E48-R62 IonicContact OE1-NH1 3.57Å; E48-R62 IonicContact OE1-NH2 2.92Å; E48-R62 PolarHBondContact OE1-NH2 2.8Å; W49-R62 HydrophobicContact CE3-CB 3.96Å; W49-R62 VanDerWaalsContact CZ3-CA 3.49Å; W49-R62 HydrophobicContact CZ3-CB 3.98Å; W49-R62 WeakPolarHBondContact O-CB 3.4Å; W49-R62 WeakPolarHBondContact O-CD 3.32Å; L50-R62 PolarHBondContact O-N 3.06Å; R62-S64 VanDerWaalsContact C-N 3.27Å; R62-S64 PolarHBondContact NE-OG 2.82Å; R62-S64 PolarHBondContact O-N 2.76Å; R62-S64 VanDerWaalsContact O-N 3.15Å; R62-L65 CarbonylContact O-C 3.6Å; R62-L65 PolarHBondContact O-N 2.92Å; R62-K66 PolarHBondContact O-N 3.47Å
63P96.3Very high96.5Very high115 Ų11566.5 Ų66.575%0.74734%0.338SS*.G310 helixtrans-53.6-41.6-173-3035.8000113.9Y61 L65 K66Y61-P63 WeakPolarHBondContact O-CD 3.21Å; P63-L65 PolarHBondContact O-N 2.84Å; P63-K66 PolarHBondContact O-N 2.96Å
64S94.3Very high96.4Very high85 Ų8568.7 Ų68.759%0.59435%0.35SS*.G310 helixtrans-67.5-17.6-178.963.20000114.7R62R62-S64 VanDerWaalsContact C-N 3.27Å; R62-S64 PolarHBondContact NE-OG 2.82Å; R62-S64 PolarHBondContact O-N 2.76Å; R62-S64 VanDerWaalsContact O-N 3.15Å
65L94.9Very high96.4Very high14 Ų1470.7 Ų70.77%0.07337%0.365CS..G310 helixtrans-119.5-1.5-176.8-63.9173.9000112.7L50 R62 P63 S67 R68 L69 M84L50-L65 HydrophobicContact CD2-CD1 3.52Å; R62-L65 CarbonylContact O-C 3.6Å; R62-L65 PolarHBondContact O-N 2.92Å; P63-L65 PolarHBondContact O-N 2.84Å; L65-S67 PolarHBondContact O-N 2.88Å; L65-S67 VanDerWaalsContact O-N 3.08Å; L65-R68 PolarHBondContact O-N 2.83Å; L65-L69 HydrophobicContact CB-CD1 3.56Å; L65-L69 HydrophobicContact CB-CG 4.02Å; L65-L69 WeakPolarHBondContact O-CG 3.19Å; L65-L69 PolarHBondContact O-N 2.75Å; L65-M84 HydrophobicContact CD2-CE 4.39Å
66K95.4Very high96.3Very high135 Ų13570.6 Ų70.659%0.58738%0.38SS*.THydrogen-bonded Turntrans-53.6-35.9-170.2-177.5175.9179.9-177.90113.8Y61 R62 P63 R68Y61-K66 HydrophobicContact CD2-CG 4.46Å; Y61-K66 HydrophobicContact CG-CG 4.31Å; R62-K66 PolarHBondContact O-N 3.47Å; P63-K66 PolarHBondContact O-N 2.96Å; K66-R68 PolarHBondContact O-N 2.87Å
67S97.1Very high96.3Very high115 Ų11572.1 Ų72.180%0.80438%0.382SS*.THydrogen-bonded Turntrans-68.6-18.8-179.256.80000114.2L65L65-S67 PolarHBondContact O-N 2.88Å; L65-S67 VanDerWaalsContact O-N 3.08Å
68R97.4Very high96.3Very high43 Ų4370.1 Ų70.116%0.16237%0.372CS..THydrogen-bonded Turntrans-107.9-11-177.7-57.5-166.1-62.1133.5-6.9113.5L65 K66 M84 T85 N86 D91L65-R68 PolarHBondContact O-N 2.83Å; K66-R68 PolarHBondContact O-N 2.87Å; R68-M84 VanDerWaalsContact CZ-CE 3.42Å; R68-M84 CarbonylContact O-C 3.45Å; R68-M84 VanDerWaalsContact O-CA 3.28Å; R68-M84 WeakPolarHBondContact O-CA 3.37Å; R68-T85 WeakPolarHBondContact CA-OG1 3.4Å; R68-T85 WeakPolarHBondContact CD-O 3.48Å; R68-T85 PolarHBondContact NH1-O 2.03Å; R68-T85 PolarHBondContact O-N 2.91Å; R68-T85 PolarHBondContact O-OG1 3.07Å; R68-N86 PolarHBondContact NH1-O 3.5Å; R68-D91 IonicContact CZ-OD1 3.88Å; R68-D91 IonicContact CZ-OD2 3.74Å; R68-D91 IonicContact NH1-OD1 3.35Å; R68-D91 IonicContact NH1-OD2 3.96Å; R68-D91 PolarHBondContact NH1-OD2 3Å; R68-D91 IonicContact NH2-OD1 2.78Å; R68-D91 PolarHBondContact NH2-OD1 2.85Å; R68-D91 IonicContact NH2-OD2 3.21Å; R68-D91 PolarHBondContact NH2-OD2 3.22Å
69L98.1Very high96.3Very high7 Ų770.4 Ų70.44%0.03737%0.37CS..EExtended strand (participates in β ladder)trans-103.6135.2-172.3-64.2175.3000111.9L50 Y61 L65 L82 M84L50-L69 HydrophobicContact CB-CD1 4.05Å; L50-L69 VanDerWaalsContact O-CD1 3.29Å; L50-L69 WeakPolarHBondContact O-CD1 3.18Å; Y61-L69 HydrophobicContact CD1-CB 3.76Å; Y61-L69 HydrophobicContact CE1-CB 4.13Å; Y61-L69 WeakPolarHBondContact CE1-O 3.5Å; L65-L69 HydrophobicContact CB-CD1 3.56Å; L65-L69 HydrophobicContact CB-CG 4.02Å; L65-L69 WeakPolarHBondContact O-CG 3.19Å; L65-L69 PolarHBondContact O-N 2.75Å; L69-L82 HydrophobicContact CD2-CD1 4.19Å; L69-M84 HydrophobicContact CD2-CB 4.01Å; L69-M84 HydrophobicContact CD2-CE 4.37Å; L69-M84 HydrophobicContact CD2-CG 3.72Å; L69-M84 HydrophobicContact CD2-SD 3.7Å
70T98.5Very high96.3Very high68 Ų6866.6 Ų66.642%0.41735%0.353SS..EExtended strand (participates in β ladder)trans-130.2130.8167.1-600000108.5T72 T83T70-T72 HydrophobicContact CG2-CG2 4.16Å; T70-T83 PolarHBondContact N-O 2.85Å; T70-T83 PolarHBondContact O-N 3.43Å
71I98.5Very high96.4Very high0 Ų061.9 Ų61.90%034%0.339CS..EExtended strand (participates in β ladder)trans-119.1134172.4-167.9170.7000110.1A51 I53 K59 Y61 V80 V81A51-I71 HydrophobicContact CB-CB 3.97Å; A51-I71 HydrophobicContact CB-CD1 3.98Å; A51-I71 HydrophobicContact CB-CG2 4.05Å; I53-I71 HydrophobicContact CB-CD1 3.91Å; I53-I71 HydrophobicContact CB-CG1 4.11Å; I53-I71 HydrophobicContact CB-CG2 4.14Å; I53-I71 HydrophobicContact CG2-CD1 3.71Å; I53-I71 HydrophobicContact CG2-CG1 3.98Å; K59-I71 HydrophobicContact CB-CG2 4.22Å; K59-I71 HydrophobicContact CD-CG2 4.23Å; K59-I71 WeakPolarHBondContact CD-O 3.34Å; K59-I71 VanDerWaalsContact CE-O 3.24Å; K59-I71 WeakPolarHBondContact CE-O 3.46Å; K59-I71 HydrophobicContact CG-CG2 3.97Å; Y61-I71 HydrophobicContact CE1-CB 4.34Å; Y61-I71 HydrophobicContact CE1-CG2 3.82Å; Y61-I71 PolarHBondContact OH-N 3.07Å; I71-V80 HydrophobicContact CD1-CG1 3.91Å; I71-V80 HydrophobicContact CG1-CG1 3.94Å; I71-V81 WeakPolarHBondContact CA-O 3.38Å
72T98.3Very high96.5Very high65 Ų6559.5 Ų59.540%0.39933%0.329SS..EExtended strand (participates in β ladder)trans-134.7160.9176.764.50000110.5T70 V80 V81T70-T72 HydrophobicContact CG2-CG2 4.16Å; T72-V80 CarbonylContact O-C 3.56Å; T72-V80 WeakPolarHBondContact O-CA 3.48Å; T72-V81 PolarHBondContact N-O 3.48Å; T72-V81 PolarHBondContact O-N 2.77Å
73K96.5Very high96.6Very high34 Ų3457 Ų5715%0.14832%0.324CS..EExtended strand (participates in β ladder)trans-131.5147.9172.471.3-179.3-173.5-170.30111.1L29 I53 Y54 W55 D57 T75 K79 V80L29-K73 HydrophobicContact CD1-CB 4.23Å; I53-K73 HydrophobicContact CD1-CB 4.02Å; I53-K73 HydrophobicContact CD1-CD 4.11Å; I53-K73 HydrophobicContact CD1-CG 3.84Å; I53-K73 HydrophobicContact CG1-CD 4.27Å; I53-K73 HydrophobicContact CG2-CB 4.43Å; Y54-K73 PolarHBondContact O-NZ 2.95Å; W55-K73 PolarHBondContact O-NZ 3.36Å; D57-K73 VanDerWaalsContact CG-CE 3.41Å; D57-K73 WeakPolarHBondContact OD1-CE 3.49Å; D57-K73 IonicContact OD1-NZ 3.63Å; D57-K73 WeakPolarHBondContact OD2-CE 3.45Å; D57-K73 IonicContact OD2-NZ 2.99Å; K73-T75 HydrophobicContact CD-CG2 4.18Å; K73-T75 HydrophobicContact CG-CG2 4.45Å; K73-K79 CarbonylContact C-O 3.59Å; K73-K79 VanDerWaalsContact CA-O 3.27Å; K73-K79 WeakPolarHBondContact CA-O 3.39Å; K73-V80 HydrophobicContact CB-CG2 4.09Å
74D95.7Very high96.6Very high49 Ų4951.5 Ų51.526%0.26229%0.288SS..EExtended strand (participates in β ladder)trans-119.5100.7168.6-179-13.4000107S76 K77 N78 K79D74-S76 VanDerWaalsContact C-N 3.28Å; D74-S76 PolarHBondContact O-N 2.91Å; D74-S76 WeakPolarHBondContact OD1-CB 3.39Å; D74-S76 PolarHBondContact OD1-N 2.86Å; D74-S76 PolarHBondContact OD1-OG 2.88Å; D74-K77 HydrophobicContact CB-CB 4.48Å; D74-K77 PolarHBondContact O-N 3.42Å; D74-K77 PolarHBondContact OD1-N 2.84Å; D74-K77 WeakPolarHBondContact OD2-CD 3.34Å; D74-K77 WeakPolarHBondContact OD2-CG 3.37Å; D74-K77 IonicContact OD2-NZ 2.78Å; D74-K77 PolarHBondContact OD2-NZ 3.31Å; D74-N78 WeakPolarHBondContact O-CA 3.49Å; D74-N78 PolarHBondContact O-N 2.88Å; D74-K79 HydrophobicContact CB-CB 4.47Å; D74-K79 PolarHBondContact N-O 3.12Å; D74-K79 PolarHBondContact O-N 3.37Å
75T93.7Very high96.8Very high69 Ų6949.4 Ų49.442%0.42327%0.272SS..THydrogen-bonded Turntrans-67.6-29.2-179.451.30000111.9L29 K73 K77 N78L29-T75 HydrophobicContact CB-CG2 4.04Å; K73-T75 HydrophobicContact CD-CG2 4.18Å; K73-T75 HydrophobicContact CG-CG2 4.45Å; T75-K77 VanDerWaalsContact C-N 3.25Å; T75-K77 PolarHBondContact O-N 2.83Å; T75-N78 PolarHBondContact O-N 2.86Å
76S92.9Very high96.9Very high100 Ų10053.7 Ų53.770%0.69930%0.295SS*.THydrogen-bonded Turntrans-67.6-28.517876.30000112.5D74D74-S76 VanDerWaalsContact C-N 3.28Å; D74-S76 PolarHBondContact O-N 2.91Å; D74-S76 WeakPolarHBondContact OD1-CB 3.39Å; D74-S76 PolarHBondContact OD1-N 2.86Å; D74-S76 PolarHBondContact OD1-OG 2.88Å
77K94.5Very high97.1Very high121 Ų12147.4 Ų47.453%0.52627%0.267SS..THydrogen-bonded Turntrans-109.40.2-179.8-58.8-170.5-166101.90113.7D74 T75 K79D74-K77 HydrophobicContact CB-CB 4.48Å; D74-K77 PolarHBondContact O-N 3.42Å; D74-K77 PolarHBondContact OD1-N 2.84Å; D74-K77 WeakPolarHBondContact OD2-CD 3.34Å; D74-K77 WeakPolarHBondContact OD2-CG 3.37Å; D74-K77 IonicContact OD2-NZ 2.78Å; D74-K77 PolarHBondContact OD2-NZ 3.31Å; T75-K77 VanDerWaalsContact C-N 3.25Å; T75-K77 PolarHBondContact O-N 2.83Å; K77-K79 VanDerWaalsContact C-N 3.3Å; K77-K79 HydrophobicContact CB-CD 3.99Å; K77-K79 HydrophobicContact CB-CG 4.12Å; K77-K79 PolarHBondContact O-N 3.46Å
78N94.1Very high97.1Very high38 Ų3845.6 Ų45.620%0.20325%0.249CC..THydrogen-bonded Turntrans47.352.2-170.3-79.4-45.9000112.7L24 F27 L29 D74 T75L24-N78 HydrophobicContact CB-CB 4.33Å; L24-N78 WeakPolarHBondContact CD1-O 3.4Å; L24-N78 PolarHBondContact N-O 3.05Å; F27-N78 PolarHBondContact O-ND2 2.97Å; L29-N78 PolarHBondContact N-OD1 2.84Å; L29-N78 VanDerWaalsContact N-OD1 3.12Å; D74-N78 WeakPolarHBondContact O-CA 3.49Å; D74-N78 PolarHBondContact O-N 2.88Å; T75-N78 PolarHBondContact O-N 2.86Å
79K97.4Very high97.1Very high74 Ų7446.9 Ų46.932%0.32226%0.263SS..EExtended strand (participates in β ladder)trans-119141.6179.2-71.9176.6179.6-175.40111.6T21 C22 T23 K73 D74 K77T21-K79 HydrophobicContact CG2-CB 4.18Å; T21-K79 HydrophobicContact CG2-CD 3.94Å; T21-K79 HydrophobicContact CG2-CG 4.04Å; C22-K79 CarbonylContact O-C 3.56Å; C22-K79 VanDerWaalsContact O-CA 3.28Å; C22-K79 WeakPolarHBondContact O-CA 3.28Å; T23-K79 HydrophobicContact CG2-CG 4.43Å; K73-K79 CarbonylContact C-O 3.59Å; K73-K79 VanDerWaalsContact CA-O 3.27Å; K73-K79 WeakPolarHBondContact CA-O 3.39Å; D74-K79 HydrophobicContact CB-CB 4.47Å; D74-K79 PolarHBondContact N-O 3.12Å; D74-K79 PolarHBondContact O-N 3.37Å; K77-K79 VanDerWaalsContact C-N 3.3Å; K77-K79 HydrophobicContact CB-CD 3.99Å; K77-K79 HydrophobicContact CB-CG 4.12Å; K77-K79 PolarHBondContact O-N 3.46Å
80V98Very high97Very high0 Ų050.3 Ų50.30%028%0.284CS..EExtended strand (participates in β ladder)trans-123.7123.7170.6178.30000108.4C22 L24 L29 V36 I53 I71 T72 K73C22-V80 HydrophobicContact CB-CB 4.5Å; C22-V80 PolarHBondContact N-O 3.39Å; C22-V80 PolarHBondContact O-N 3.33Å; L24-V80 HydrophobicContact CD1-CG2 4.09Å; L29-V80 HydrophobicContact CD1-CG2 3.7Å; L29-V80 HydrophobicContact CD2-CG2 3.87Å; L29-V80 HydrophobicContact CG-CG2 4.48Å; V36-V80 HydrophobicContact CB-CB 4.35Å; V36-V80 HydrophobicContact CB-CG1 4.24Å; V36-V80 HydrophobicContact CB-CG2 3.84Å; V36-V80 HydrophobicContact CG1-CB 4.06Å; V36-V80 HydrophobicContact CG1-CG1 4.07Å; V36-V80 HydrophobicContact CG1-CG2 4.01Å; V36-V80 HydrophobicContact CG2-CG2 3.97Å; I53-V80 HydrophobicContact CG2-CG1 3.76Å; I53-V80 HydrophobicContact CG2-CG2 4.36Å; I71-V80 HydrophobicContact CD1-CG1 3.91Å; I71-V80 HydrophobicContact CG1-CG1 3.94Å; T72-V80 CarbonylContact O-C 3.56Å; T72-V80 WeakPolarHBondContact O-CA 3.48Å; K73-V80 HydrophobicContact CB-CG2 4.09Å
81V98.6Very high96.9Very high30 Ų3047.1 Ų47.118%0.18226%0.264CS..EExtended strand (participates in β ladder)trans-111.6130.6-173-179.40000109.3T19 L20 T21 I71 T72T19-V81 HydrophobicContact CG2-CG1 3.68Å; L20-V81 CarbonylContact O-C 3.52Å; L20-V81 VanDerWaalsContact O-CA 3.28Å; L20-V81 WeakPolarHBondContact O-CA 3.27Å; L20-V81 WeakPolarHBondContact O-CG1 3.34Å; T21-V81 HydrophobicContact CG2-CG2 4.31Å; I71-V81 WeakPolarHBondContact CA-O 3.38Å; T72-V81 PolarHBondContact N-O 3.48Å; T72-V81 PolarHBondContact O-N 2.77Å
82L98.7Very high96.9Very high0 Ų048.4 Ų48.40%027%0.272CS..EExtended strand (participates in β ladder)trans-103.6127.6167.9-177.570.8000108.7T19 L20 W38 L50 A51 L69 Y95T19-L82 CarbonylContact C-O 3.57Å; T19-L82 WeakPolarHBondContact CA-O 3.23Å; L20-L82 HydrophobicContact CB-CB 4.47Å; L20-L82 PolarHBondContact N-O 2.8Å; L20-L82 PolarHBondContact O-N 2.84Å; W38-L82 HydrophobicContact CB-CD1 4.27Å; W38-L82 HydrophobicContact CB-CD2 3.96Å; W38-L82 HydrophobicContact CD2-CB 3.85Å; W38-L82 HydrophobicContact CD2-CD2 4.03Å; W38-L82 HydrophobicContact CE3-CD2 4.28Å; W38-L82 HydrophobicContact CG-CB 3.8Å; W38-L82 HydrophobicContact CG-CD1 4.27Å; W38-L82 HydrophobicContact CG-CD2 3.91Å; W38-L82 HydrophobicContact CG-CG 4.22Å; W38-L82 HydrophobicContact CZ2-CB 4.34Å; L50-L82 HydrophobicContact CD1-CD2 3.81Å; A51-L82 HydrophobicContact CB-CD1 4.29Å; L69-L82 HydrophobicContact CD2-CD1 4.19Å; L82-Y95 HydrophobicContact CD2-CD1 4.26Å
83T98.6Very high97Very high34 Ų3445.3 Ų45.321%0.20925%0.253CS..EExtended strand (participates in β ladder)trans-114.6130.1166.9-58.20000108.9T17 L18 T70T17-T83 HydrophobicContact CG2-CG2 3.4Å; L18-T83 CarbonylContact O-C 3.6Å; L18-T83 VanDerWaalsContact O-CA 3.3Å; L18-T83 WeakPolarHBondContact O-CA 3.35Å; T70-T83 PolarHBondContact N-O 2.85Å; T70-T83 PolarHBondContact O-N 3.43Å
84M98.3Very high97.1Very high0 Ų045.2 Ų45.20%026%0.256CS..EExtended strand (participates in β ladder)trans-127.9116.3178.3-171165.4178.600109.5T17 L18 L65 R68 L69 M87 D91T17-M84 CarbonylContact C-O 3.49Å; T17-M84 WeakPolarHBondContact CA-O 3.14Å; L18-M84 HydrophobicContact CB-CB 4.39Å; L18-M84 PolarHBondContact N-O 2.86Å; L18-M84 PolarHBondContact O-N 2.77Å; L65-M84 HydrophobicContact CD2-CE 4.39Å; R68-M84 VanDerWaalsContact CZ-CE 3.42Å; R68-M84 CarbonylContact O-C 3.45Å; R68-M84 VanDerWaalsContact O-CA 3.28Å; R68-M84 WeakPolarHBondContact O-CA 3.37Å; L69-M84 HydrophobicContact CD2-CB 4.01Å; L69-M84 HydrophobicContact CD2-CE 4.37Å; L69-M84 HydrophobicContact CD2-CG 3.72Å; L69-M84 HydrophobicContact CD2-SD 3.7Å; M84-M87 HydrophobicContact CB-SD 3.89Å; M84-M87 HydrophobicContact CG-SD 3.7Å; M84-M87 HydrophobicContact SD-SD 4.07Å; M84-D91 HydrophobicContact CE-CB 4.34Å; M84-D91 VanDerWaalsContact CE-OD1 3.24Å; M84-D91 WeakPolarHBondContact CE-OD1 3.39Å
85T98.4Very high97.2Very high42 Ų4242.9 Ų42.926%0.25824%0.243SC..  trans-91.6165.1-17861.20000111.7T17 R68 M87T17-T85 HydrophobicContact CG2-CG2 4.16Å; R68-T85 WeakPolarHBondContact CA-OG1 3.4Å; R68-T85 WeakPolarHBondContact CD-O 3.48Å; R68-T85 PolarHBondContact NH1-O 2.03Å; R68-T85 PolarHBondContact O-N 2.91Å; R68-T85 PolarHBondContact O-OG1 3.07Å; T85-M87 VanDerWaalsContact C-N 3.35Å; T85-M87 PolarHBondContact O-N 2.86Å
86N97.3Very high97.4Very high103 Ų10341.6 Ų41.655%0.55123%0.231SC*.SBendtrans50.553.2177.1-59.2-37.8000111.9Q16 R68Q16-N86 PolarHBondContact O-N 2.85Å; R68-N86 PolarHBondContact NH1-O 3.5Å
87M97.9Very high97.6Very high3 Ų336.9 Ų36.92%0.01520%0.198CC..  trans-58.2141-178.8-68.5-63.7-68.100111.3V12 P14 T15 Q16 L18 M84 T85 D91 V118V12-M87 HydrophobicContact CG1-CB 4.26Å; V12-M87 HydrophobicContact CG1-CG 4.02Å; P14-M87 CarbonylContact C-O 3.56Å; P14-M87 VanDerWaalsContact CA-O 3.28Å; P14-M87 WeakPolarHBondContact CA-O 3.14Å; T15-M87 PolarHBondContact N-O 2.84Å; Q16-M87 WeakPolarHBondContact O-CB 3.24Å; Q16-M87 WeakPolarHBondContact O-CG 3.08Å; Q16-M87 PolarHBondContact O-N 2.88Å; L18-M87 HydrophobicContact CB-CE 3.92Å; L18-M87 HydrophobicContact CB-CG 3.89Å; L18-M87 HydrophobicContact CB-SD 3.54Å; L18-M87 VanDerWaalsContact CB-SD 3.54Å; L18-M87 HydrophobicContact CD2-CE 3.65Å; L18-M87 HydrophobicContact CD2-SD 4.1Å; L18-M87 HydrophobicContact CG-CE 4.4Å; L18-M87 HydrophobicContact CG-SD 4.48Å; M84-M87 HydrophobicContact CB-SD 3.89Å; M84-M87 HydrophobicContact CG-SD 3.7Å; M84-M87 HydrophobicContact SD-SD 4.07Å; T85-M87 VanDerWaalsContact C-N 3.35Å; T85-M87 PolarHBondContact O-N 2.86Å; M87-D91 HydrophobicContact CE-CB 3.66Å; M87-D91 HydrophobicContact SD-CB 4.41Å; M87-V118 HydrophobicContact CB-CG1 4.19Å; M87-V118 HydrophobicContact CB-CG2 4.37Å; M87-V118 HydrophobicContact CE-CG2 3.57Å
88D97.3Very high97.6Very high78 Ų7831.1 Ų31.142%0.41717%0.172SC..  trans-125.7152.5179.1-178.6-88.2000110.4V90 D91 V118D88-V90 HydrophobicContact CB-CG1 4.09Å; D88-V90 PolarHBondContact O-N 3.2Å; D88-V90 VanDerWaalsContact OD1-CB 3.31Å; D88-V90 WeakPolarHBondContact OD1-CB 3.49Å; D88-V90 WeakPolarHBondContact OD1-CG1 3.4Å; D88-V90 PolarHBondContact OD1-N 3.41Å; D88-D91 PolarHBondContact N-OD2 2.94Å; D88-D91 WeakPolarHBondContact O-CA 3.28Å; D88-D91 VanDerWaalsContact O-CB 3.24Å; D88-D91 WeakPolarHBondContact O-CB 3.01Å; D88-D91 PolarHBondContact O-N 2.77Å; D88-V118 WeakPolarHBondContact O-CB 3.34Å
89P97.6Very high97.5Very high70 Ų7030 Ų3046%0.45517%0.166SC..G310 helixtrans-47.1-33.5173.3-32.839.1000115P14 D91 T92P14-P89 HydrophobicContact CG-CG 4.46Å; P89-D91 PolarHBondContact O-N 2.97Å; P89-T92 VanDerWaalsContact O-CB 3.28Å; P89-T92 WeakPolarHBondContact O-CB 3.4Å; P89-T92 PolarHBondContact O-N 2.86Å; P89-T92 VanDerWaalsContact O-N 3.1Å; P89-T92 PolarHBondContact O-OG1 3.14Å
90V96.1Very high96.9Very high79 Ų7928.4 Ų28.448%0.47916%0.158SC..G310 helixtrans-65.1-19.6175.879.90000113.5D88 T92D88-V90 HydrophobicContact CB-CG1 4.09Å; D88-V90 PolarHBondContact O-N 3.2Å; D88-V90 VanDerWaalsContact OD1-CB 3.31Å; D88-V90 WeakPolarHBondContact OD1-CB 3.49Å; D88-V90 WeakPolarHBondContact OD1-CG1 3.4Å; D88-V90 PolarHBondContact OD1-N 3.41Å; V90-T92 PolarHBondContact O-N 3.01Å
91D97.7Very high95.8Very high0 Ų029.3 Ų29.30%017%0.168CC..G310 helixtrans-81.90.3176.4-57.9-45.5000112.3R40 R68 M84 M87 D88 P89 A93 Y95 V118R40-D91 IonicContact CZ-OD1 2.79Å; R40-D91 IonicContact NH1-OD1 3.6Å; R40-D91 PolarHBondContact NH1-OD1 3.1Å; R40-D91 IonicContact NH2-OD1 2.89Å; R68-D91 IonicContact CZ-OD1 3.88Å; R68-D91 IonicContact CZ-OD2 3.74Å; R68-D91 IonicContact NH1-OD1 3.35Å; R68-D91 IonicContact NH1-OD2 3.96Å; R68-D91 PolarHBondContact NH1-OD2 3Å; R68-D91 IonicContact NH2-OD1 2.78Å; R68-D91 PolarHBondContact NH2-OD1 2.85Å; R68-D91 IonicContact NH2-OD2 3.21Å; R68-D91 PolarHBondContact NH2-OD2 3.22Å; M84-D91 HydrophobicContact CE-CB 4.34Å; M84-D91 VanDerWaalsContact CE-OD1 3.24Å; M84-D91 WeakPolarHBondContact CE-OD1 3.39Å; M87-D91 HydrophobicContact CE-CB 3.66Å; M87-D91 HydrophobicContact SD-CB 4.41Å; D88-D91 PolarHBondContact N-OD2 2.94Å; D88-D91 WeakPolarHBondContact O-CA 3.28Å; D88-D91 VanDerWaalsContact O-CB 3.24Å; D88-D91 WeakPolarHBondContact O-CB 3.01Å; D88-D91 PolarHBondContact O-N 2.77Å; P89-D91 PolarHBondContact O-N 2.97Å; D91-A93 PolarHBondContact O-N 2.82Å; D91-Y95 PolarHBondContact O-OH 2.81Å; D91-V118 HydrophobicContact CB-CG2 4.38Å
92T98.5Very high94.1Very high27 Ų2730.4 Ų30.417%0.16619%0.185CC..  trans-62.4116.6170.4-64.80000110.4P43 P89 V90 M115 V116 V118P43-T92 WeakPolarHBondContact CD-O 3.06Å; P89-T92 VanDerWaalsContact O-CB 3.28Å; P89-T92 WeakPolarHBondContact O-CB 3.4Å; P89-T92 PolarHBondContact O-N 2.86Å; P89-T92 VanDerWaalsContact O-N 3.1Å; P89-T92 PolarHBondContact O-OG1 3.14Å; V90-T92 PolarHBondContact O-N 3.01Å; T92-M115 HydrophobicContact CG2-CE 3.61Å; T92-V116 WeakPolarHBondContact CA-O 2.97Å; T92-V118 PolarHBondContact OG1-N 2.81Å
93A98.4Very high91.9Very high0 Ų035.7 Ų35.70%022%0.222CC..EExtended strand (participates in β ladder)trans-165.1164.4-173.800000111.5R40 Q41 P42 D91 Y95 M115 V116R40-A93 HydrophobicContact CB-CB 3.87Å; R40-A93 HydrophobicContact CG-CB 4.29Å; Q41-A93 WeakPolarHBondContact O-CA 3.28Å; Q41-A93 WeakPolarHBondContact O-CB 3.39Å; P42-A93 HydrophobicContact CG-CB 4.36Å; D91-A93 PolarHBondContact O-N 2.82Å; A93-Y95 HydrophobicContact CB-CD2 4.25Å; A93-Y95 HydrophobicContact CB-CE2 3.78Å; A93-Y95 VanDerWaalsContact O-CD2 3.27Å; A93-Y95 WeakPolarHBondContact O-CD2 3.28Å; A93-Y95 WeakPolarHBondContact O-CE2 3.36Å; A93-M115 VanDerWaalsContact C-SD 3.53Å; A93-V116 PolarHBondContact N-O 3.3Å; A93-V116 VanDerWaalsContact N-O 3.12Å; A93-V116 PolarHBondContact O-N 3.08Å
94T98.6Very high89.8Confident33 Ų3341.4 Ų41.420%0.20225%0.246CC..EExtended strand (participates in β ladder)trans-83.6125.9159.4-55.40000109.1R40 Q41 Y96 T114R40-T94 CarbonylContact C-O 3.53Å; R40-T94 VanDerWaalsContact CA-O 3.25Å; R40-T94 WeakPolarHBondContact CA-O 3.28Å; Q41-T94 PolarHBondContact N-O 3.25Å; Q41-T94 PolarHBondContact O-N 2.8Å; T94-Y96 HydrophobicContact CG2-CD2 4.42Å; T94-Y96 HydrophobicContact CG2-CE1 3.8Å; T94-Y96 HydrophobicContact CG2-CE2 3.68Å; T94-Y96 VanDerWaalsContact CG2-OH 3.28Å; T94-Y96 WeakPolarHBondContact CG2-OH 3.45Å; T94-Y96 WeakPolarHBondContact O-CE2 3.24Å; T94-T114 CarbonylContact C-O 3.49Å; T94-T114 WeakPolarHBondContact CA-O 3.44Å
95Y98.6Very high88.1Confident0 Ų048.3 Ų48.30%028%0.278CS..EExtended strand (participates in β ladder)trans-103.9128.1-178.7-71.2-103.9000109.6L18 L20 I39 R40 L50 L82 D91 A93 G113 T114 V116L18-Y95 HydrophobicContact CD2-CE1 4.23Å; L18-Y95 HydrophobicContact CD2-CE2 4.37Å; L20-Y95 VanDerWaalsContact CD1-CB 3.41Å; L20-Y95 HydrophobicContact CD1-CD1 3.74Å; L20-Y95 HydrophobicContact CD1-CD2 4.2Å; L20-Y95 HydrophobicContact CD1-CG 3.52Å; I39-Y95 CarbonylContact O-C 3.47Å; I39-Y95 WeakPolarHBondContact O-CA 3.24Å; R40-Y95 HydrophobicContact CB-CD1 3.84Å; R40-Y95 HydrophobicContact CB-CE1 3.86Å; R40-Y95 HydrophobicContact CB-CG 4.19Å; L50-Y95 HydrophobicContact CD1-CD1 3.85Å; L50-Y95 HydrophobicContact CD1-CE1 3.66Å; L82-Y95 HydrophobicContact CD2-CD1 4.26Å; D91-Y95 PolarHBondContact O-OH 2.81Å; A93-Y95 HydrophobicContact CB-CD2 4.25Å; A93-Y95 HydrophobicContact CB-CE2 3.78Å; A93-Y95 VanDerWaalsContact O-CD2 3.27Å; A93-Y95 WeakPolarHBondContact O-CD2 3.28Å; A93-Y95 WeakPolarHBondContact O-CE2 3.36Å; Y95-G113 CarbonylContact O-C 3.55Å; Y95-G113 WeakPolarHBondContact O-CA 3.35Å; Y95-T114 PolarHBondContact N-O 2.89Å; Y95-T114 PolarHBondContact O-N 3.24Å; Y95-V116 HydrophobicContact CD2-CB 3.93Å; Y95-V116 HydrophobicContact CD2-CG2 3.72Å; Y95-V116 HydrophobicContact CE2-CB 3.82Å; Y95-V116 HydrophobicContact CE2-CG2 4.07Å
96Y98.3Very high86.3Confident42 Ų4247.6 Ų47.617%0.16528%0.277CS..EExtended strand (participates in β ladder)trans-118.2143.1-178.2-54.6-89.1000109.8E6 W38 I39 Q41 L47 T94 W110 Q112 G113E6-Y96 WeakPolarHBondContact OE1-CA 3.24Å; W38-Y96 WeakPolarHBondContact CA-O 3.18Å; W38-Y96 VanDerWaalsContact CE3-O 3.28Å; I39-Y96 PolarHBondContact N-O 2.79Å; I39-Y96 PolarHBondContact O-N 2.84Å; Q41-Y96 HydrophobicContact CB-CE2 3.92Å; L47-Y96 HydrophobicContact CD2-CD2 4.24Å; L47-Y96 HydrophobicContact CD2-CE2 4.21Å; T94-Y96 HydrophobicContact CG2-CD2 4.42Å; T94-Y96 HydrophobicContact CG2-CE1 3.8Å; T94-Y96 HydrophobicContact CG2-CE2 3.68Å; T94-Y96 VanDerWaalsContact CG2-OH 3.28Å; T94-Y96 WeakPolarHBondContact CG2-OH 3.45Å; T94-Y96 WeakPolarHBondContact O-CE2 3.24Å; Y96-W110 HydrophobicContact CD1-CE3 4.46Å; Y96-W110 HydrophobicContact CG-CE3 4.11Å; Y96-W110 HydrophobicContact CG-CZ3 4.23Å; Y96-Q112 WeakPolarHBondContact CE1-O 3.33Å; Y96-G113 VanDerWaalsContact CD1-CA 3.42Å
97C95.9Very high84.9Confident0 Ų045.8 Ų45.80%026%0.264CS..EExtended strand (participates in β ladder)trans-100.8143158.3610000110.5L4 E6 C22 V36 G37 W38 G111L4-C97 HydrophobicContact CD2-CB 4.35Å; L4-C97 WeakPolarHBondContact CD2-O 3.3Å; E6-C97 HydrophobicContact CG-CB 4.41Å; E6-C97 PolarHBondContact OE1-N 3.32Å; E6-C97 PolarHBondContact OE1-SG 3.24Å; E6-C97 VanDerWaalsContact OE1-SG 3.39Å; C22-C97 HydrophobicContact CB-CB 3.41Å; C22-C97 VanDerWaalsContact CB-CB 3.41Å; C22-C97 WeakPolarHBondContact CB-SG 3.4Å; C22-C97 WeakPolarHBondContact SG-CB 3.36Å; C22-C97 CovalentContact SG-SG 2.03Å; C22-C97 PolarHBondContact SG-SG 2.7Å; V36-C97 HydrophobicContact CG1-CB 4.34Å; G37-C97 CarbonylContact O-C 3.57Å; G37-C97 VanDerWaalsContact O-CA 3.28Å; G37-C97 WeakPolarHBondContact O-CA 3.47Å; W38-C97 HydrophobicContact CD2-CB 4.33Å; W38-C97 HydrophobicContact CE3-CB 4.41Å; W38-C97 HydrophobicContact CH2-CB 4.42Å; W38-C97 HydrophobicContact CZ2-CB 4.36Å; W38-C97 HydrophobicContact CZ3-CB 4.44Å; C97-G111 PolarHBondContact O-N 3.43Å
98A95.6Very high83.8Confident0 Ų051.1 Ų51.10%029%0.293CS..EExtended strand (participates in β ladder)trans-135.8137.9178.900000110.7V36 G37 I39 F107 I109 W110V36-A98 WeakPolarHBondContact CA-O 3.47Å; G37-A98 PolarHBondContact N-O 3.06Å; G37-A98 PolarHBondContact O-N 3.37Å; I39-A98 HydrophobicContact CD1-CB 3.69Å; A98-F107 HydrophobicContact CB-CB 4.15Å; A98-F107 HydrophobicContact CB-CD1 3.39Å; A98-F107 HydrophobicContact CB-CE1 4.06Å; A98-F107 HydrophobicContact CB-CG 4.07Å; A98-I109 CarbonylContact C-O 3.58Å; A98-I109 VanDerWaalsContact CA-O 3.27Å; A98-I109 WeakPolarHBondContact CA-O 3.38Å; A98-W110 HydrophobicContact CB-CD2 3.69Å; A98-W110 HydrophobicContact CB-CE3 4.05Å; A98-W110 HydrophobicContact CB-CG 4.04Å; A98-W110 HydrophobicContact CB-CH2 4.45Å; A98-W110 HydrophobicContact CB-CZ2 4.13Å; A98-W110 HydrophobicContact CB-CZ3 4.42Å
99L91.8Very high83.5Confident14 Ų1449.8 Ų49.87%0.07329%0.285CS..EExtended strand (participates in β ladder)trans-82.7126.9174.6-173.770.7000109I2 L4 L24 F27 V36 F107 I109I2-L99 HydrophobicContact CD1-CD2 4.47Å; I2-L99 HydrophobicContact CG2-CD2 4.32Å; L4-L99 HydrophobicContact CD1-CB 4.43Å; L4-L99 HydrophobicContact CD2-CB 4.3Å; L24-L99 HydrophobicContact CD2-CD1 4.1Å; F27-L99 HydrophobicContact CD1-CD1 3.91Å; F27-L99 HydrophobicContact CD1-CD2 4.22Å; F27-L99 HydrophobicContact CD2-CD2 4.28Å; F27-L99 HydrophobicContact CE1-CD1 3.65Å; F27-L99 HydrophobicContact CE1-CD2 4.3Å; F27-L99 HydrophobicContact CE2-CD2 4.37Å; F27-L99 HydrophobicContact CG-CD2 4.21Å; F27-L99 HydrophobicContact CZ-CD1 4.26Å; F27-L99 HydrophobicContact CZ-CD2 4.38Å; V36-L99 HydrophobicContact CG2-CD1 3.91Å; L99-F107 WeakPolarHBondContact O-CA 3.01Å; L99-I109 HydrophobicContact CB-CB 4.19Å; L99-I109 HydrophobicContact CD2-CD1 4.11Å; L99-I109 PolarHBondContact N-O 3.46Å
100W85.3Confident83.3Confident41 Ų4151.1 Ų51.116%0.15528%0.281CS..EExtended strand (participates in β ladder)trans-103.3128.5170.3-177.685.9000108.6G33 V34 G35 L52 Y54 Q105 F107G33-W100 WeakPolarHBondContact O-CZ3 3.46Å; V34-W100 CarbonylContact C-O 3.59Å; V34-W100 VanDerWaalsContact CA-O 3.24Å; V34-W100 WeakPolarHBondContact CA-O 3.41Å; V34-W100 WeakPolarHBondContact CB-O 3.16Å; G35-W100 PolarHBondContact N-O 2.94Å; G35-W100 WeakPolarHBondContact O-CA 3.32Å; G35-W100 WeakPolarHBondContact O-CB 3.45Å; G35-W100 PolarHBondContact O-N 2.66Å; G35-W100 VanDerWaalsContact O-O 3.08Å; L52-W100 HydrophobicContact CD1-CB 4.33Å; Y54-W100 AromaticContact CD1-CE3 3.94Å; Y54-W100 HydrophobicContact CD1-CE3 3.94Å; Y54-W100 AromaticContact CD1-CZ3 3.78Å; Y54-W100 HydrophobicContact CD1-CZ3 3.78Å; Y54-W100 HydrophobicContact CE1-CD2 4.08Å; Y54-W100 AromaticContact CE1-CE3 3.47Å; Y54-W100 HydrophobicContact CE1-CE3 3.47Å; Y54-W100 VanDerWaalsContact CE1-CE3 3.47Å; Y54-W100 AromaticContact CE1-CH2 3.75Å; Y54-W100 HydrophobicContact CE1-CH2 3.75Å; Y54-W100 HydrophobicContact CE1-CZ2 4.32Å; Y54-W100 AromaticContact CE1-CZ3 3.31Å; Y54-W100 HydrophobicContact CE1-CZ3 3.31Å; W100-Q105 HydrophobicContact CZ2-CB 4.03Å; W100-Q105 HydrophobicContact CZ2-CG 4.03Å; W100-Q105 PolarHBondContact NE1-O 2.9Å; W100-F107 HydrophobicContact CB-CD1 4Å; W100-F107 HydrophobicContact CB-CE1 3.74Å; W100-F107 HydrophobicContact CB-CZ 4.29Å; W100-F107 HydrophobicContact CG-CE1 4.47Å
101G74.8Confident83.3Confident20 Ų2047.6 Ų47.621%0.20626%0.261CS..EExtended strand (participates in β ladder)trans-177.3155.6175.400000115.3
102G62.3Low83.2Confident52 Ų5256.1 Ų56.154%0.53630%0.301SS..THydrogen-bonded Turntrans98.6-179.4169.700000115.9H104 Q105G102-H104 PolarHBondContact O-N 3.11Å; G102-H104 VanDerWaalsContact O-N 3.09Å; G102-Q105 PolarHBondContact O-N 3.24Å
103S53.8Low83.1Confident111 Ų11155.9 Ų55.978%0.77630%0.304SS*.THydrogen-bonded Turntrans-60.8-13.4178.947.40000114.4
104H54.5Low83.1Confident154 Ų15456.8 Ų56.871%0.71331%0.309SS*.THydrogen-bonded Turntrans-105.8-0.8-176-62.1-66.9000114.4G102 A106G102-H104 PolarHBondContact O-N 3.11Å; G102-H104 VanDerWaalsContact O-N 3.09Å; H104-A106 PolarHBondContact O-N 2.8Å
105Q60.6Low83.1Confident145 Ų14558.8 Ų58.868%0.67832%0.318SS*.THydrogen-bonded Turntrans50.132176.3-57.8-175.9-5.700114.9W100 G102W100-Q105 HydrophobicContact CZ2-CB 4.03Å; W100-Q105 HydrophobicContact CZ2-CG 4.03Å; W100-Q105 PolarHBondContact NE1-O 2.9Å; G102-Q105 PolarHBondContact O-N 3.24Å
106A61.6Low83.1Confident28 Ų2858.8 Ų58.823%0.23132%0.318CS..EExtended strand (participates in β ladder)trans-107.4156.6-17100000113H104 D108H104-A106 PolarHBondContact O-N 2.8Å; A106-D108 WeakPolarHBondContact CB-OD1 3.43Å; A106-D108 PolarHBondContact O-N 3.12Å
107F67.1Low83.1Confident64 Ų6459.3 Ų59.328%0.28133%0.325SS..EExtended strand (participates in β ladder)trans-90.477168.6-74.3-74.4000108.9I39 A98 L99 W100 W110I39-F107 HydrophobicContact CD1-CE1 4.48Å; A98-F107 HydrophobicContact CB-CB 4.15Å; A98-F107 HydrophobicContact CB-CD1 3.39Å; A98-F107 HydrophobicContact CB-CE1 4.06Å; A98-F107 HydrophobicContact CB-CG 4.07Å; L99-F107 WeakPolarHBondContact O-CA 3.01Å; W100-F107 HydrophobicContact CB-CD1 4Å; W100-F107 HydrophobicContact CB-CE1 3.74Å; W100-F107 HydrophobicContact CB-CZ 4.29Å; W100-F107 HydrophobicContact CG-CE1 4.47Å; F107-W110 HydrophobicContact CB-CZ2 3.96Å; F107-W110 HydrophobicContact CG-CZ2 4.46Å; F107-W110 PolarHBondContact O-NE1 3.37Å
108D76.6Confident83.2Confident116 Ų11659.6 Ų59.662%0.6233%0.327SS*.EExtended strand (participates in β ladder)trans-83.6-15.6-171.2-64.2-30.6000113A106A106-D108 WeakPolarHBondContact CB-OD1 3.43Å; A106-D108 PolarHBondContact O-N 3.12Å
109I89Confident83.2Confident50 Ų5062 Ų6226%0.25634%0.343SS..EExtended strand (participates in β ladder)trans-133.3119.9-173-49.8178.1000109.5I2 L4 A98 L99I2-I109 HydrophobicContact CB-CD1 3.81Å; I2-I109 HydrophobicContact CD1-CD1 3.66Å; I2-I109 HydrophobicContact CG1-CD1 4.3Å; I2-I109 HydrophobicContact CG2-CD1 3.8Å; I2-I109 HydrophobicContact CG2-CG2 4.09Å; L4-I109 HydrophobicContact CD1-CB 4.49Å; L4-I109 HydrophobicContact CD1-CG2 3.68Å; A98-I109 CarbonylContact C-O 3.58Å; A98-I109 VanDerWaalsContact CA-O 3.27Å; A98-I109 WeakPolarHBondContact CA-O 3.38Å; L99-I109 HydrophobicContact CB-CB 4.19Å; L99-I109 HydrophobicContact CD2-CD1 4.11Å; L99-I109 PolarHBondContact N-O 3.46Å
110W94.4Very high82.9Confident97 Ų9767.8 Ų67.837%0.36739%0.385SS..EExtended strand (participates in β ladder)trans-118.4148.6-177.5-68.165.8000110.6I39 L47 Y96 A98 F107I39-W110 HydrophobicContact CB-CH2 4.1Å; I39-W110 HydrophobicContact CB-CZ3 3.93Å; I39-W110 HydrophobicContact CD1-CH2 3.81Å; I39-W110 HydrophobicContact CD1-CZ2 4.48Å; I39-W110 HydrophobicContact CD1-CZ3 3.92Å; I39-W110 HydrophobicContact CG1-CH2 3.86Å; I39-W110 HydrophobicContact CG1-CZ3 4.11Å; I39-W110 HydrophobicContact CG2-CH2 4.08Å; I39-W110 HydrophobicContact CG2-CZ3 4.1Å; L47-W110 HydrophobicContact CD1-CH2 4.17Å; L47-W110 HydrophobicContact CD2-CZ3 4.4Å; Y96-W110 HydrophobicContact CD1-CE3 4.46Å; Y96-W110 HydrophobicContact CG-CE3 4.11Å; Y96-W110 HydrophobicContact CG-CZ3 4.23Å; A98-W110 HydrophobicContact CB-CD2 3.69Å; A98-W110 HydrophobicContact CB-CE3 4.05Å; A98-W110 HydrophobicContact CB-CG 4.04Å; A98-W110 HydrophobicContact CB-CH2 4.45Å; A98-W110 HydrophobicContact CB-CZ2 4.13Å; A98-W110 HydrophobicContact CB-CZ3 4.42Å; F107-W110 HydrophobicContact CB-CZ2 3.96Å; F107-W110 HydrophobicContact CG-CZ2 4.46Å; F107-W110 PolarHBondContact O-NE1 3.37Å
111G95.7Very high82.8Confident6 Ų669.2 Ų69.26%0.06240%0.397CS..  trans-74.4170.7161.600000111.5L4 E6 C97 G113L4-G111 WeakPolarHBondContact O-CA 3.27Å; E6-G111 VanDerWaalsContact OE1-CA 3.23Å; E6-G111 WeakPolarHBondContact OE1-CA 3.28Å; C97-G111 PolarHBondContact O-N 3.43Å; G111-G113 PolarHBondContact O-N 2.96Å
112Q95.8Very high83.2Confident178 Ų17871.7 Ų71.783%0.83241%0.407SS*.  trans-72.5-17.1179.7-65.5-63.2-54.300112.2E6 Y96E6-Q112 PolarHBondContact OE2-N 3.05Å; Y96-Q112 WeakPolarHBondContact CE1-O 3.33Å
113G97.3Very high84.4Confident22 Ų2272.8 Ų72.823%0.22740%0.4CS..  trans85159.7-177.500000113.4E6 Y95 Y96 G111E6-G113 PolarHBondContact OE1-N 3.4Å; E6-G113 PolarHBondContact OE2-N 2.99Å; E6-G113 VanDerWaalsContact OE2-N 3.12Å; Y95-G113 CarbonylContact O-C 3.55Å; Y95-G113 WeakPolarHBondContact O-CA 3.35Å; Y96-G113 VanDerWaalsContact CD1-CA 3.42Å; G111-G113 PolarHBondContact O-N 2.96Å
114T97.9Very high86.2Confident19 Ų1970.6 Ų70.612%0.11738%0.378CS..EExtended strand (participates in β ladder)trans-129.2126.2175.2-174.90000110.1E6 L20 T94 Y95 V116E6-T114 HydrophobicContact CB-CG2 3.9Å; L20-T114 HydrophobicContact CD1-CG2 4.1Å; L20-T114 HydrophobicContact CD2-CG2 3.9Å; T94-T114 CarbonylContact C-O 3.49Å; T94-T114 WeakPolarHBondContact CA-O 3.44Å; Y95-T114 PolarHBondContact N-O 2.89Å; Y95-T114 PolarHBondContact O-N 3.24Å; T114-V116 HydrophobicContact CG2-CG2 4.42Å; T114-V116 PolarHBondContact O-N 3.34Å
115M98.1Very high88.2Confident76 Ų7665.4 Ų65.437%0.37436%0.357SS..EExtended strand (participates in β ladder)trans-75.4125.6174.3-176.663.218000109.3P43 T92 A93P43-M115 HydrophobicContact CG-CE 4.33Å; T92-M115 HydrophobicContact CG2-CE 3.61Å; A93-M115 VanDerWaalsContact C-SD 3.53Å
116V98.6Very high90Very high0 Ų060.1 Ų60.10%034%0.335CS..EExtended strand (participates in β ladder)trans-117.8123172.3-176.60000108.2T10 V12 L18 L20 T92 A93 Y95 T114T10-V116 WeakPolarHBondContact O-CA 3.44Å; V12-V116 HydrophobicContact CG2-CG1 4.16Å; L18-V116 HydrophobicContact CD1-CG1 4.05Å; L18-V116 HydrophobicContact CD1-CG2 4.23Å; L18-V116 HydrophobicContact CD2-CG1 4.17Å; L18-V116 HydrophobicContact CD2-CG2 4.33Å; L20-V116 HydrophobicContact CD1-CG2 4.35Å; L20-V116 HydrophobicContact CD2-CG2 4.13Å; T92-V116 WeakPolarHBondContact CA-O 2.97Å; A93-V116 PolarHBondContact N-O 3.3Å; A93-V116 VanDerWaalsContact N-O 3.12Å; A93-V116 PolarHBondContact O-N 3.08Å; Y95-V116 HydrophobicContact CD2-CB 3.93Å; Y95-V116 HydrophobicContact CD2-CG2 3.72Å; Y95-V116 HydrophobicContact CE2-CB 3.82Å; Y95-V116 HydrophobicContact CE2-CG2 4.07Å; T114-V116 HydrophobicContact CG2-CG2 4.42Å; T114-V116 PolarHBondContact O-N 3.34Å
117T98.4Very high92Very high53 Ų5362.4 Ų62.433%0.32534%0.343SS..EExtended strand (participates in β ladder)trans-101.1132.7174.2-58.40000109.6T10 L11 V12T10-T117 PolarHBondContact O-N 3.02Å; L11-T117 WeakPolarHBondContact CA-O 3.44Å; L11-T117 HydrophobicContact CD1-CG2 4.2Å; V12-T117 PolarHBondContact N-O 3.47Å
118V97.9Very high93.9Very high6 Ų662.2 Ų62.24%0.03635%0.348CS..EExtended strand (participates in β ladder)trans-108104.6173.8-172.80000109.6V12 P14 M87 D88 D91 T92V12-V118 VanDerWaalsContact O-CA 3.23Å; V12-V118 WeakPolarHBondContact O-CA 3.4Å; P14-V118 HydrophobicContact CG-CG1 4.31Å; M87-V118 HydrophobicContact CB-CG1 4.19Å; M87-V118 HydrophobicContact CB-CG2 4.37Å; M87-V118 HydrophobicContact CE-CG2 3.57Å; D88-V118 WeakPolarHBondContact O-CB 3.34Å; D91-V118 HydrophobicContact CB-CG2 4.38Å; T92-V118 PolarHBondContact OG1-N 2.81Å
119S95.6Very high95.4Very high49 Ų4957.8 Ų57.834%0.34333%0.325SS..  trans-152.3157.6-178.864.40000111.9L11 V12L11-S119 WeakPolarHBondContact CD1-OG 3.34Å; V12-S119 PolarHBondContact O-N 2.57Å; V12-S119 VanDerWaalsContact O-N 3.11Å
120S86.1Confident96Very high137 Ų13758.5 Ų58.596%0.95833%0.331SS*.  trans-770-179.254.60000113.9K13K13-S120 WeakPolarHBondContact CE-OXT 3.07Å; K13-S120 PolarHBondContact NZ-OXT 2.78Å

Retrieved 120 of 120 residues in 156.7 ms (Link to these results)

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