A0A077ZCI8_TRITR Loading...

I-set domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCI8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 104 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
1M92Very high97.4Very high113 Ų11366.5 Ų66.556%0.55734%0.341SS*.  0103.60-55.6-169-64.500106.8N28 N82M1-N28 CarbonylContact C-O 3.42Å; M1-N28 HydrophobicContact CB-CB 4.24Å; M1-N28 HydrophobicContact CE-CB 3.45Å; M1-N28 VanDerWaalsContact CE-CB 3.45Å; M1-N28 PolarHBondContact N-O 2.96Å; M1-N28 CarbonylContact O-C 3.54Å; M1-N28 PolarHBondContact O-N 2.75Å; M1-N82 PolarHBondContact O-ND2 2.76Å
2D96.9Very high97.3Very high98 Ų9868.2 Ų68.252%0.52435%0.351SS..  trans-52.4154.7159.657.3-53.7000110.1R84D2-R84 HydrophobicContact CB-CB 4.31Å
3P98.5Very high97.1Very high3 Ų370.9 Ų70.92%0.01937%0.366CS..  trans-66.2139.5-179-19.335000110.8V25 S26 A27 P31 A80 N82 G85 A87P3-V25 HydrophobicContact CB-CG1 4.22Å; P3-S26 CarbonylContact C-O 3.47Å; P3-S26 WeakPolarHBondContact CA-O 3.38Å; P3-A27 HydrophobicContact CB-CB 4.28Å; P3-P31 HydrophobicContact CG-CB 4.35Å; P3-A80 HydrophobicContact CB-CB 3.74Å; P3-A80 HydrophobicContact CG-CB 4.47Å; P3-N82 WeakPolarHBondContact CD-OD1 3.47Å; P3-N82 HydrophobicContact CG-CB 4.1Å; P3-G85 VanDerWaalsContact CD-C 3.48Å; P3-G85 VanDerWaalsContact CD-O 3.29Å; P3-G85 WeakPolarHBondContact CD-O 3.23Å; P3-A87 HydrophobicContact CB-CB 4.33Å; P3-A87 WeakPolarHBondContact O-CB 3.35Å
4F98.5Very high96.9Very high123 Ų12370.9 Ų70.954%0.53936%0.362SS..EExtended strand (participates in β ladder)trans-131.1121.9171.8176.2-112000109.2E6 V25 S26F4-E6 HydrophobicContact CD1-CG 3.99Å; F4-E6 HydrophobicContact CE1-CB 4.26Å; F4-E6 HydrophobicContact CE1-CG 4.05Å; F4-V25 CarbonylContact O-C 3.47Å; F4-V25 WeakPolarHBondContact O-CA 3.41Å; F4-S26 PolarHBondContact N-O 2.82Å; F4-S26 PolarHBondContact O-N 3.12Å
5I98.6Very high96.7Very high3 Ų375.7 Ų75.72%0.01540%0.4CS..EExtended strand (participates in β ladder)trans-90.7106.3176.2-53171000106.9Q7 C23 V25 V78 A80 A87 K89I5-Q7 VanDerWaalsContact C-N 3.26Å; I5-Q7 WeakPolarHBondContact CG2-O 3.08Å; I5-Q7 PolarHBondContact O-N 3.48Å; I5-C23 HydrophobicContact CG2-CB 4.14Å; I5-V25 HydrophobicContact CG1-CG2 4.24Å; I5-V78 HydrophobicContact CD1-CG1 4.02Å; I5-A80 HydrophobicContact CG1-CB 4.39Å; I5-A87 HydrophobicContact CD1-CB 4.26Å; I5-A87 HydrophobicContact CG1-CB 4.04Å; I5-K89 HydrophobicContact CB-CD 4.1Å; I5-K89 HydrophobicContact CB-CG 4.22Å; I5-K89 HydrophobicContact CD1-CB 4.34Å; I5-K89 HydrophobicContact CD1-CG 4.45Å; I5-K89 HydrophobicContact CG2-CB 4.42Å; I5-K89 HydrophobicContact CG2-CD 3.86Å; I5-K89 HydrophobicContact CG2-CG 4.26Å; I5-K89 WeakPolarHBondContact O-CE 3.4Å
6E97.5Very high96.5Very high59 Ų5978.1 Ų78.128%0.27641%0.413SS..  trans-59.2-39.6-164.8-65.9179.3-16000112.6F4 M24 S26 K58F4-E6 HydrophobicContact CD1-CG 3.99Å; F4-E6 HydrophobicContact CE1-CB 4.26Å; F4-E6 HydrophobicContact CE1-CG 4.05Å; E6-M24 HydrophobicContact CG-CB 4.47Å; E6-M24 HydrophobicContact CG-CG 4.49Å; E6-M24 PolarHBondContact N-O 3.13Å; E6-M24 WeakPolarHBondContact OE1-CG 3.35Å; E6-S26 PolarHBondContact OE1-OG 2.96Å; E6-K58 VanDerWaalsContact CD-NZ 3.3Å; E6-K58 WeakPolarHBondContact OE1-CD 3.29Å; E6-K58 WeakPolarHBondContact OE1-CE 3.37Å; E6-K58 IonicContact OE1-NZ 2.72Å; E6-K58 PolarHBondContact OE1-NZ 2.88Å; E6-K58 IonicContact OE2-NZ 2.79Å; E6-K58 PolarHBondContact OE2-NZ 3.44Å; E6-K58 VanDerWaalsContact OE2-NZ 3.14Å
7Q97.1Very high96.3Very high147 Ų14776.2 Ų76.269%0.68742%0.417SS*.SBendtrans-144.4159.5-178.6-66.2-179.283.100109.7I5 K89I5-Q7 VanDerWaalsContact C-N 3.26Å; I5-Q7 WeakPolarHBondContact CG2-O 3.08Å; I5-Q7 PolarHBondContact O-N 3.48Å; Q7-K89 WeakPolarHBondContact O-CD 3.32Å
8T97.6Very high96.3Very high65 Ų6572.2 Ų72.240%0.39940%0.395SS..PPolyproline II helixtrans-58.6141.2170.7-52.10000110S10 E90 Q91T8-S10 PolarHBondContact O-N 3.27Å; T8-E90 WeakPolarHBondContact CG2-O 3.48Å; T8-Q91 HydrophobicContact CG2-CB 4.22Å
9P98.4Very high96.4Very high0 Ų068.5 Ų68.50%038%0.375CS..PPolyproline II helixtrans-51.2124179.4-29.634.1000113.2E22 C23 W35 V78 Q91P9-E22 CarbonylContact C-O 3.58Å; P9-E22 VanDerWaalsContact CA-O 3.3Å; P9-E22 WeakPolarHBondContact CA-O 3.3Å; P9-C23 HydrophobicContact CB-CB 4.28Å; P9-C23 HydrophobicContact CG-CB 4.03Å; P9-W35 HydrophobicContact CB-CH2 3.83Å; P9-W35 HydrophobicContact CB-CZ3 4.16Å; P9-W35 HydrophobicContact CG-CH2 3.74Å; P9-W35 HydrophobicContact CG-CZ3 3.94Å; P9-V78 HydrophobicContact CG-CG1 3.59Å; P9-Q91 HydrophobicContact CB-CB 3.99Å; P9-Q91 HydrophobicContact CB-CG 4.29Å; P9-Q91 HydrophobicContact CG-CB 4.18Å; P9-Q91 VanDerWaalsContact O-CG 3.3Å; P9-Q91 WeakPolarHBondContact O-CG 3.39Å; P9-Q91 PolarHBondContact O-OE1 3.2Å
10S98.2Very high96.5Very high64 Ų6465.8 Ų65.845%0.44836%0.36SS..EExtended strand (participates in β ladder)trans-69.9150.4169.662.90000110.3T8 F21 E22T8-S10 PolarHBondContact O-N 3.27Å; S10-F21 CarbonylContact O-C 3.57Å; S10-F21 VanDerWaalsContact O-CA 3.25Å; S10-F21 WeakPolarHBondContact O-CA 3.4Å; S10-E22 PolarHBondContact N-O 3.23Å; S10-E22 PolarHBondContact O-N 2.9Å; S10-E22 PolarHBondContact OG-O 3.36Å; S10-E22 VanDerWaalsContact OG-O 3.12Å
11I97.7Very high96.6Very high56 Ų5662.7 Ų62.729%0.28734%0.343SS..EExtended strand (participates in β ladder)trans-114.1128174.5-58.1-177000108.6V19 L20 F21 Q91 S92 Y93I11-V19 HydrophobicContact CG2-CG1 3.55Å; I11-L20 CarbonylContact C-O 3.59Å; I11-L20 WeakPolarHBondContact CA-O 3.45Å; I11-F21 HydrophobicContact CD1-CD1 4.38Å; I11-F21 HydrophobicContact CD1-CE1 3.81Å; I11-F21 HydrophobicContact CD1-CZ 4.17Å; I11-F21 HydrophobicContact CG1-CD1 3.99Å; I11-F21 HydrophobicContact CG1-CE1 3.93Å; I11-F21 HydrophobicContact CG1-CZ 4.44Å; I11-Q91 HydrophobicContact CD1-CG 3.71Å; I11-Q91 HydrophobicContact CG1-CG 3.79Å; I11-S92 WeakPolarHBondContact CD1-O 3.4Å; I11-Y93 HydrophobicContact CD1-CD2 3.93Å; I11-Y93 HydrophobicContact CD1-CG 4.39Å; I11-Y93 HydrophobicContact CG2-CD2 4.24Å
12L96.4Very high96.9Very high87 Ų8761.2 Ų61.246%0.45534%0.335SS..EExtended strand (participates in β ladder)trans-125.8121.6176.3177.165.7000110.3K14 L20L12-K14 HydrophobicContact CD2-CD 4.15Å; L12-L20 HydrophobicContact CB-CB 4.39Å; L12-L20 PolarHBondContact N-O 2.81Å; L12-L20 PolarHBondContact O-N 2.83Å
13N94.7Very high96.9Very high104 Ų10457 Ų5756%0.55631%0.312SS*.EExtended strand (participates in β ladder)trans-76.2123.6167.8-59.5-49.2000108.9V19N13-V19 WeakPolarHBondContact OD1-CG2 3.08Å
14K95Very high97Very high71 Ų7159.2 Ų59.231%0.30932%0.323SS..  trans-91.2152.5-178.8-67-73.2-165.8177.90110.8L12 D16 G17 S18 L20L12-K14 HydrophobicContact CD2-CD 4.15Å; K14-D16 WeakPolarHBondContact CB-OD1 3.38Å; K14-D16 PolarHBondContact O-N 3.33Å; K14-G17 PolarHBondContact O-N 3.17Å; K14-S18 WeakPolarHBondContact CB-O 3.24Å; K14-S18 WeakPolarHBondContact CB-OG 3.3Å; K14-S18 PolarHBondContact N-O 3.26Å; K14-L20 VanDerWaalsContact CE-CD2 3.46Å; K14-L20 HydrophobicContact CG-CB 4.27Å
15P93.5Very high97Very high143 Ų14353.4 Ų53.493%0.92930%0.298SS*.THydrogen-bonded Turntrans-60.6-23.1177-25.335000114.9G17P15-G17 PolarHBondContact O-N 2.84Å
16D94Very high97Very high114 Ų11454.7 Ų54.761%0.6131%0.307SS*.THydrogen-bonded Turntrans-79.15.3175.567.9-3.9000113.2K14 S18K14-D16 WeakPolarHBondContact CB-OD1 3.38Å; K14-D16 PolarHBondContact O-N 3.33Å; D16-S18 VanDerWaalsContact C-N 3.26Å; D16-S18 PolarHBondContact O-N 3.14Å; D16-S18 VanDerWaalsContact OD1-CB 3.24Å; D16-S18 WeakPolarHBondContact OD1-CB 3.32Å; D16-S18 PolarHBondContact OD1-N 2.99Å; D16-S18 PolarHBondContact OD1-OG 3.34Å; D16-S18 PolarHBondContact OD2-OG 2.57Å
17G92.8Very high97Very high46 Ų4651.9 Ų51.947%0.47429%0.294SS..SBendtrans79.40.7-177.900000114.3K14 P15 P68K14-G17 PolarHBondContact O-N 3.17Å; P15-G17 PolarHBondContact O-N 2.84Å; G17-P68 WeakPolarHBondContact O-CD 3.29Å
18S96.3Very high97Very high3 Ų348.8 Ų48.82%0.02128%0.282CS..  trans-80163.5172.471.40000112.1K14 D16 Q64 I65K14-S18 WeakPolarHBondContact CB-O 3.24Å; K14-S18 WeakPolarHBondContact CB-OG 3.3Å; K14-S18 PolarHBondContact N-O 3.26Å; D16-S18 VanDerWaalsContact C-N 3.26Å; D16-S18 PolarHBondContact O-N 3.14Å; D16-S18 VanDerWaalsContact OD1-CB 3.24Å; D16-S18 WeakPolarHBondContact OD1-CB 3.32Å; D16-S18 PolarHBondContact OD1-N 2.99Å; D16-S18 PolarHBondContact OD1-OG 3.34Å; D16-S18 PolarHBondContact OD2-OG 2.57Å; S18-Q64 PolarHBondContact OG-NE2 2.81Å; S18-I65 VanDerWaalsContact CA-O 3.31Å; S18-I65 WeakPolarHBondContact CA-O 3.46Å; S18-I65 VanDerWaalsContact CB-O 3.29Å; S18-I65 WeakPolarHBondContact CB-O 3.31Å
19V97.4Very high96.9Very high2 Ų248.1 Ų48.11%0.01228%0.279CS..EExtended strand (participates in β ladder)trans-116.5130.2174.41770000109.2I11 N13 F21 Q64 I65 P68 Y93I11-V19 HydrophobicContact CG2-CG1 3.55Å; N13-V19 WeakPolarHBondContact OD1-CG2 3.08Å; V19-F21 HydrophobicContact CG1-CD2 4.23Å; V19-F21 HydrophobicContact CG1-CE2 3.82Å; V19-Q64 CarbonylContact O-C 3.53Å; V19-Q64 VanDerWaalsContact O-CA 3.32Å; V19-Q64 WeakPolarHBondContact O-CA 3.34Å; V19-I65 PolarHBondContact N-O 2.92Å; V19-I65 PolarHBondContact O-N 3.41Å; V19-P68 HydrophobicContact CG2-CB 4.35Å; V19-P68 HydrophobicContact CG2-CG 4Å; V19-Y93 HydrophobicContact CG1-CD2 4.4Å; V19-Y93 HydrophobicContact CG1-CE2 3.97Å; V19-Y93 HydrophobicContact CG2-CE2 4.15Å
20L98.2Very high96.9Very high15 Ų1552 Ų528%0.07930%0.297CS..EExtended strand (participates in β ladder)trans-109.2122.8178.3-174.374.3000110I11 L12 K14 T62 Q64I11-L20 CarbonylContact C-O 3.59Å; I11-L20 WeakPolarHBondContact CA-O 3.45Å; L12-L20 HydrophobicContact CB-CB 4.39Å; L12-L20 PolarHBondContact N-O 2.81Å; L12-L20 PolarHBondContact O-N 2.83Å; K14-L20 VanDerWaalsContact CE-CD2 3.46Å; K14-L20 HydrophobicContact CG-CB 4.27Å; L20-T62 HydrophobicContact CD1-CG2 4.21Å; L20-Q64 HydrophobicContact CD1-CB 3.83Å; L20-Q64 HydrophobicContact CD1-CG 4.29Å
21F98.7Very high96.9Very high0 Ų049.1 Ų49.10%028%0.276CS..EExtended strand (participates in β ladder)trans-93.5133.6164-64.6-113.9000108S10 I11 V19 W35 T62 L63 I65 Y76 Q91 Y93S10-F21 CarbonylContact O-C 3.57Å; S10-F21 VanDerWaalsContact O-CA 3.25Å; S10-F21 WeakPolarHBondContact O-CA 3.4Å; I11-F21 HydrophobicContact CD1-CD1 4.38Å; I11-F21 HydrophobicContact CD1-CE1 3.81Å; I11-F21 HydrophobicContact CD1-CZ 4.17Å; I11-F21 HydrophobicContact CG1-CD1 3.99Å; I11-F21 HydrophobicContact CG1-CE1 3.93Å; I11-F21 HydrophobicContact CG1-CZ 4.44Å; V19-F21 HydrophobicContact CG1-CD2 4.23Å; V19-F21 HydrophobicContact CG1-CE2 3.82Å; F21-W35 HydrophobicContact CB-CH2 3.78Å; F21-W35 HydrophobicContact CB-CZ3 3.91Å; F21-W35 HydrophobicContact CD1-CZ3 4.38Å; F21-W35 HydrophobicContact CG-CZ3 4.45Å; F21-T62 CarbonylContact O-C 3.52Å; F21-T62 WeakPolarHBondContact O-CA 3.25Å; F21-L63 HydrophobicContact CB-CB 4.23Å; F21-L63 HydrophobicContact CD2-CD2 4.42Å; F21-L63 PolarHBondContact N-O 2.89Å; F21-L63 PolarHBondContact O-N 2.95Å; F21-I65 HydrophobicContact CD2-CD1 4.43Å; F21-I65 HydrophobicContact CE2-CD1 3.67Å; F21-I65 HydrophobicContact CE2-CG1 4.27Å; F21-I65 HydrophobicContact CZ-CD1 4.37Å; F21-Y76 AromaticContact CE1-CD2 3.82Å; F21-Y76 HydrophobicContact CE1-CD2 3.82Å; F21-Y76 AromaticContact CE1-CG 3.95Å; F21-Y76 HydrophobicContact CE1-CG 3.95Å; F21-Y76 AromaticContact CZ-CD2 3.65Å; F21-Y76 HydrophobicContact CZ-CD2 3.65Å; F21-Y76 AromaticContact CZ-CE2 3.94Å; F21-Y76 HydrophobicContact CZ-CE2 3.94Å; F21-Y76 HydrophobicContact CZ-CG 4.02Å; F21-Q91 HydrophobicContact CD1-CB 4.37Å; F21-Q91 HydrophobicContact CD1-CG 4.01Å; F21-Q91 HydrophobicContact CE1-CB 4.41Å; F21-Q91 HydrophobicContact CE1-CG 3.94Å; F21-Y93 HydrophobicContact CZ-CD1 4.26Å; F21-Y93 HydrophobicContact CZ-CD2 4.29Å; F21-Y93 AromaticContact CZ-CG 3.78Å; F21-Y93 HydrophobicContact CZ-CG 3.78Å
22E98.5Very high96.9Very high83 Ų8351.8 Ų51.839%0.38829%0.288SS..EExtended strand (participates in β ladder)trans-139.2133.8179.8-179.7169.6-134.900111.8P9 S10 C61 T62P9-E22 CarbonylContact C-O 3.58Å; P9-E22 VanDerWaalsContact CA-O 3.3Å; P9-E22 WeakPolarHBondContact CA-O 3.3Å; S10-E22 PolarHBondContact N-O 3.23Å; S10-E22 PolarHBondContact O-N 2.9Å; S10-E22 PolarHBondContact OG-O 3.36Å; S10-E22 VanDerWaalsContact OG-O 3.12Å; E22-C61 WeakPolarHBondContact CA-O 3.39Å; E22-T62 HydrophobicContact CB-CG2 4.13Å; E22-T62 HydrophobicContact CG-CG2 3.99Å
23C98.4Very high97Very high8 Ų848.8 Ų48.85%0.05427%0.273CS..EExtended strand (participates in β ladder)trans-140.5161.9171.168.20000112.2I5 P9 C61I5-C23 HydrophobicContact CG2-CB 4.14Å; P9-C23 HydrophobicContact CB-CB 4.28Å; P9-C23 HydrophobicContact CG-CB 4.03Å; C23-C61 PolarHBondContact N-O 3Å; C23-C61 PolarHBondContact O-N 2.76Å
24M98.5Very high97.2Very high51 Ų5146.7 Ų46.725%0.25126%0.259SS..EExtended strand (participates in β ladder)trans-108.2130.1174.5-169.962.86200110E6 M55 K58 Y59 A60E6-M24 HydrophobicContact CG-CB 4.47Å; E6-M24 HydrophobicContact CG-CG 4.49Å; E6-M24 PolarHBondContact N-O 3.13Å; E6-M24 WeakPolarHBondContact OE1-CG 3.35Å; M24-M55 HydrophobicContact CE-SD 4.04Å; M24-M55 HydrophobicContact SD-SD 4.35Å; M24-K58 HydrophobicContact CG-CB 4.42Å; M24-K58 HydrophobicContact CG-CD 4.15Å; M24-K58 HydrophobicContact SD-CB 3.81Å; M24-K58 HydrophobicContact SD-CD 4.34Å; M24-Y59 VanDerWaalsContact SD-C 3.55Å; M24-A60 HydrophobicContact CE-CB 4Å; M24-A60 HydrophobicContact SD-CB 4.47Å
25V98.7Very high97.4Very high0 Ų043.3 Ų43.30%024%0.244CC..EExtended strand (participates in β ladder)trans-114.1118.6176.7-175.50000109.3P3 F4 I5 A27 P31 V33 K58 Y59 A80P3-V25 HydrophobicContact CB-CG1 4.22Å; F4-V25 CarbonylContact O-C 3.47Å; F4-V25 WeakPolarHBondContact O-CA 3.41Å; I5-V25 HydrophobicContact CG1-CG2 4.24Å; V25-A27 HydrophobicContact CG1-CB 4.28Å; V25-P31 HydrophobicContact CG1-CG 4.02Å; V25-V33 HydrophobicContact CG2-CG2 4.46Å; V25-K58 CarbonylContact O-C 3.43Å; V25-K58 VanDerWaalsContact O-CA 3.26Å; V25-K58 WeakPolarHBondContact O-CA 3.44Å; V25-Y59 PolarHBondContact N-O 2.73Å; V25-Y59 WeakPolarHBondContact O-CD2 3.49Å; V25-Y59 PolarHBondContact O-N 2.73Å; V25-A80 HydrophobicContact CG1-CB 3.66Å; V25-A80 HydrophobicContact CG2-CB 4.23Å
26S98.5Very high97.7Very high30 Ų3038.4 Ų38.421%0.2121%0.209CC..EExtended strand (participates in β ladder)trans-87.5124.4167.9-810000109.1P3 F4 E6 K58P3-S26 CarbonylContact C-O 3.47Å; P3-S26 WeakPolarHBondContact CA-O 3.38Å; F4-S26 PolarHBondContact N-O 2.82Å; F4-S26 PolarHBondContact O-N 3.12Å; E6-S26 PolarHBondContact OE1-OG 2.96Å; S26-K58 WeakPolarHBondContact OG-CE 3.44Å
27A98Very high97.9Very high0 Ų033.9 Ų33.90%018%0.183CC..  trans-163.6147.3-176.600000112.5P3 V25 P29 P31 G57 Y59P3-A27 HydrophobicContact CB-CB 4.28Å; V25-A27 HydrophobicContact CG1-CB 4.28Å; A27-P29 CarbonylContact C-O 3.57Å; A27-P31 HydrophobicContact CB-CB 4.03Å; A27-P31 HydrophobicContact CB-CG 3.66Å; A27-G57 PolarHBondContact N-O 2.9Å; A27-G57 VanDerWaalsContact N-O 3.12Å; A27-Y59 HydrophobicContact CB-CD2 4.36Å; A27-Y59 HydrophobicContact CB-CE2 4.12Å
28N97.1Very high98.1Very high83 Ų8338.4 Ų38.444%0.44419%0.19SC..SBendtrans-155.5117.1167.8179.84000108.8M1 R84M1-N28 CarbonylContact C-O 3.42Å; M1-N28 HydrophobicContact CB-CB 4.24Å; M1-N28 HydrophobicContact CE-CB 3.45Å; M1-N28 VanDerWaalsContact CE-CB 3.45Å; M1-N28 PolarHBondContact N-O 2.96Å; M1-N28 CarbonylContact O-C 3.54Å; M1-N28 PolarHBondContact O-N 2.75Å; N28-R84 WeakPolarHBondContact O-CD 3.26Å; N28-R84 PolarHBondContact O-NH1 3.42Å
29P96.5Very high98.1Very high51 Ų5144.4 Ų44.433%0.33122%0.222SC..SBendcis-65.1175.85.9-22.334.9000115A27 N82A27-P29 CarbonylContact C-O 3.57Å; P29-N82 PolarHBondContact O-ND2 3.1Å; P29-N82 VanDerWaalsContact O-ND2 3.08Å
30E97.4Very high98.1Very high82 Ų8251.2 Ų51.238%0.38325%0.253SS..PPolyproline II helixtrans-53.5128.7175.2175.9160.8170.600111.7K52 K54 Y59E30-K52 WeakPolarHBondContact OE1-CE 3.04Å; E30-K52 IonicContact OE1-NZ 2.73Å; E30-K52 PolarHBondContact OE1-NZ 3Å; E30-K54 IonicContact OE2-NZ 3.14Å; E30-K54 PolarHBondContact OE2-NZ 2.85Å; E30-Y59 VanDerWaalsContact CA-OH 3.23Å; E30-Y59 WeakPolarHBondContact CA-OH 3.12Å; E30-Y59 HydrophobicContact CB-CE1 4.04Å; E30-Y59 WeakPolarHBondContact CB-OH 3.34Å; E30-Y59 HydrophobicContact CG-CD1 4.36Å; E30-Y59 HydrophobicContact CG-CE1 3.51Å
31P98.2Very high98.1Very high2 Ų254.6 Ų54.61%0.01327%0.269CS..PPolyproline II helixtrans-86.1147.6-178.534.7-33.4000111P3 V25 A27 V33 K52 Y59 A80 T81 N82P3-P31 HydrophobicContact CG-CB 4.35Å; V25-P31 HydrophobicContact CG1-CG 4.02Å; A27-P31 HydrophobicContact CB-CB 4.03Å; A27-P31 HydrophobicContact CB-CG 3.66Å; P31-V33 HydrophobicContact CB-CG2 4.36Å; P31-V33 HydrophobicContact CG-CG2 4.11Å; P31-K52 PolarHBondContact O-NZ 2.75Å; P31-Y59 VanDerWaalsContact CD-CD2 3.45Å; P31-Y59 HydrophobicContact CG-CD2 3.76Å; P31-Y59 HydrophobicContact CG-CE2 4.06Å; P31-Y59 HydrophobicContact CG-CG 4.18Å; P31-A80 HydrophobicContact CB-CB 4.37Å; P31-T81 CarbonylContact C-O 3.54Å; P31-T81 WeakPolarHBondContact CA-O 3.46Å; P31-N82 HydrophobicContact CB-CB 4.4Å
32E98.4Very high98.1Very high112 Ų11255.4 Ų55.452%0.52327%0.273SS..EExtended strand (participates in β ladder)trans-73.2135.6154.4-174.3175.8-164.500108.4K34 A80 T81E32-K34 HydrophobicContact CG-CG 4.38Å; E32-K34 WeakPolarHBondContact OE1-CE 3.35Å; E32-K34 IonicContact OE1-NZ 3.15Å; E32-A80 CarbonylContact O-C 3.45Å; E32-A80 VanDerWaalsContact O-CA 3.32Å; E32-A80 WeakPolarHBondContact O-CA 3.49Å; E32-T81 PolarHBondContact N-O 2.87Å; E32-T81 PolarHBondContact O-N 3.18Å
33V98.6Very high98.1Very high25 Ų2555.5 Ų55.515%0.15228%0.279CS..EExtended strand (participates in β ladder)trans-127.3122.3-179.8-178.50000109.1V25 P31 K52 C61 V78 V79 A80V25-V33 HydrophobicContact CG2-CG2 4.46Å; P31-V33 HydrophobicContact CB-CG2 4.36Å; P31-V33 HydrophobicContact CG-CG2 4.11Å; V33-K52 HydrophobicContact CB-CD 4.4Å; V33-K52 HydrophobicContact CG2-CD 3.97Å; V33-C61 HydrophobicContact CG1-CB 4.01Å; V33-V78 HydrophobicContact CG1-CG2 3.77Å; V33-V79 CarbonylContact C-O 3.57Å; V33-V79 VanDerWaalsContact CA-O 3.31Å; V33-V79 WeakPolarHBondContact CA-O 3.42Å; V33-A80 HydrophobicContact CG2-CB 4.14Å
34K98.8Very high98.1Very high59 Ų5960 Ų6026%0.25730%0.303SS..EExtended strand (participates in β ladder)trans-123.1147.8-178.1-67.8-177.6171.3-1450110.5E32 F36 E41 V78 V79E32-K34 HydrophobicContact CG-CG 4.38Å; E32-K34 WeakPolarHBondContact OE1-CE 3.35Å; E32-K34 IonicContact OE1-NZ 3.15Å; K34-F36 HydrophobicContact CB-CD2 4.44Å; K34-F36 HydrophobicContact CB-CE2 3.57Å; K34-F36 HydrophobicContact CB-CZ 4.02Å; K34-F36 HydrophobicContact CD-CZ 4.21Å; K34-E41 HydrophobicContact CD-CG 4.47Å; K34-E41 WeakPolarHBondContact CD-OE1 3.05Å; K34-E41 WeakPolarHBondContact CE-OE1 3.33Å; K34-E41 VanDerWaalsContact NZ-CD 3.27Å; K34-E41 IonicContact NZ-OE1 2.81Å; K34-E41 PolarHBondContact NZ-OE1 2.95Å; K34-E41 IonicContact NZ-OE2 2.74Å; K34-E41 PolarHBondContact NZ-OE2 2.96Å; K34-V78 WeakPolarHBondContact O-CA 3.26Å; K34-V79 PolarHBondContact N-O 2.84Å; K34-V79 PolarHBondContact O-N 2.84Å
35W98.9Very high98.1Very high1 Ų161.1 Ų61.10%0.00431%0.31CS..EExtended strand (participates in β ladder)trans-114145.3174.5-69.286000109.4P9 F21 L42 I50 L63 K77 V78P9-W35 HydrophobicContact CB-CH2 3.83Å; P9-W35 HydrophobicContact CB-CZ3 4.16Å; P9-W35 HydrophobicContact CG-CH2 3.74Å; P9-W35 HydrophobicContact CG-CZ3 3.94Å; F21-W35 HydrophobicContact CB-CH2 3.78Å; F21-W35 HydrophobicContact CB-CZ3 3.91Å; F21-W35 HydrophobicContact CD1-CZ3 4.38Å; F21-W35 HydrophobicContact CG-CZ3 4.45Å; W35-L42 HydrophobicContact CB-CB 4.29Å; W35-L42 HydrophobicContact CB-CD1 4.29Å; W35-L42 PolarHBondContact O-N 2.93Å; W35-I50 HydrophobicContact CB-CD1 4.45Å; W35-L63 HydrophobicContact CB-CD2 4.2Å; W35-L63 HydrophobicContact CD2-CB 3.65Å; W35-L63 HydrophobicContact CD2-CD2 4.06Å; W35-L63 HydrophobicContact CD2-CG 4.47Å; W35-L63 HydrophobicContact CE3-CB 4.03Å; W35-L63 HydrophobicContact CE3-CD2 3.86Å; W35-L63 HydrophobicContact CG-CB 3.92Å; W35-L63 HydrophobicContact CG-CD2 4.22Å; W35-L63 HydrophobicContact CZ2-CB 4.2Å; W35-L63 HydrophobicContact CZ3-CB 4.45Å; W35-K77 CarbonylContact C-O 3.57Å; W35-K77 WeakPolarHBondContact CA-O 3.36Å; W35-V78 HydrophobicContact CD2-CB 4Å; W35-V78 HydrophobicContact CD2-CG2 4.21Å; W35-V78 HydrophobicContact CE3-CB 3.82Å; W35-V78 HydrophobicContact CH2-CB 3.94Å; W35-V78 HydrophobicContact CH2-CG1 4.31Å; W35-V78 HydrophobicContact CH2-CG2 4.31Å; W35-V78 HydrophobicContact CZ2-CB 4.1Å; W35-V78 HydrophobicContact CZ2-CG2 3.99Å; W35-V78 HydrophobicContact CZ3-CB 3.8Å; W35-V78 HydrophobicContact CZ3-CG1 4.3Å
36F98.8Very high98.1Very high40 Ų4068.1 Ų68.118%0.17535%0.347CS..EExtended strand (participates in β ladder)trans-134.2146.3-179.2-61.3-99.9000110.6K34 Q40 E41 Y76 K77 V79K34-F36 HydrophobicContact CB-CD2 4.44Å; K34-F36 HydrophobicContact CB-CE2 3.57Å; K34-F36 HydrophobicContact CB-CZ 4.02Å; K34-F36 HydrophobicContact CD-CZ 4.21Å; F36-Q40 CarbonylContact C-O 3.49Å; F36-Q40 WeakPolarHBondContact CA-O 3.41Å; F36-E41 HydrophobicContact CD1-CB 4.02Å; F36-E41 HydrophobicContact CE1-CB 3.69Å; F36-E41 HydrophobicContact CE1-CG 4.22Å; F36-E41 HydrophobicContact CZ-CB 4.33Å; F36-E41 HydrophobicContact CZ-CG 4.37Å; F36-Y76 WeakPolarHBondContact O-CA 3.42Å; F36-K77 HydrophobicContact CB-CB 4.25Å; F36-K77 PolarHBondContact N-O 3.47Å; F36-K77 PolarHBondContact O-N 2.82Å; F36-V79 HydrophobicContact CD2-CG2 3.97Å; F36-V79 HydrophobicContact CE2-CB 4.02Å; F36-V79 HydrophobicContact CE2-CG2 3.72Å
37F98.6Very high98Very high18 Ų1870.7 Ų70.78%0.07935%0.352CS..EExtended strand (participates in β ladder)trans-138.4128.1169.4177.9-116.6000108.3D39 Q40 L42 Q73 Y76F37-D39 PolarHBondContact O-N 2.98Å; F37-Q40 PolarHBondContact N-O 2.83Å; F37-Q40 PolarHBondContact O-N 3.39Å; F37-L42 HydrophobicContact CB-CD1 4.13Å; F37-L42 HydrophobicContact CB-CD2 4.08Å; F37-L42 HydrophobicContact CB-CG 4.31Å; F37-Q73 WeakPolarHBondContact CZ-O 3.48Å; F37-Y76 HydrophobicContact CB-CD1 4.02Å; F37-Y76 HydrophobicContact CB-CE1 3.8Å; F37-Y76 HydrophobicContact CD2-CD1 4.21Å; F37-Y76 HydrophobicContact CD2-CD2 4.02Å; F37-Y76 AromaticContact CD2-CE1 3.89Å; F37-Y76 HydrophobicContact CD2-CE1 3.89Å; F37-Y76 AromaticContact CD2-CE2 3.67Å; F37-Y76 HydrophobicContact CD2-CE2 3.67Å; F37-Y76 HydrophobicContact CD2-CG 4.26Å; F37-Y76 AromaticContact CD2-CZ 3.59Å; F37-Y76 HydrophobicContact CE2-CD2 4.4Å; F37-Y76 AromaticContact CE2-CE2 3.8Å; F37-Y76 HydrophobicContact CE2-CE2 3.8Å; F37-Y76 AromaticContact CE2-CZ 3.93Å; F37-Y76 HydrophobicContact CG-CD1 4.44Å; F37-Y76 AromaticContact CG-CE1 3.95Å; F37-Y76 HydrophobicContact CG-CE1 3.95Å; F37-Y76 HydrophobicContact CG-CE2 4.48Å; F37-Y76 AromaticContact CG-CZ 3.96Å
38K97.2Very high98Very high142 Ų14272 Ų7262%0.61736%0.358SS*.THydrogen-bonded Turntrans50.844.7-174.9-59.1174.5177.3167.30111.9Q40K38-Q40 PolarHBondContact O-N 2.87Å
39D96.2Very high98.1Very high129 Ų12969.3 Ų69.369%0.6934%0.344SS*.THydrogen-bonded Turntrans58.49.3-177.1-60.1-51.8000116.5F37 K77F37-D39 PolarHBondContact O-N 2.98Å; D39-K77 IonicContact OD1-NZ 3.14Å; D39-K77 PolarHBondContact OD1-NZ 3.12Å; D39-K77 VanDerWaalsContact OD1-NZ 3.15Å
40Q98.3Very high98.2Very high144 Ų14468.3 Ų68.367%0.67334%0.336SS*.EExtended strand (participates in β ladder)trans-95.2130.9171.9-63.6-175.9-3.800110.3F36 F37 K38 L42F36-Q40 CarbonylContact C-O 3.49Å; F36-Q40 WeakPolarHBondContact CA-O 3.41Å; F37-Q40 PolarHBondContact N-O 2.83Å; F37-Q40 PolarHBondContact O-N 3.39Å; K38-Q40 PolarHBondContact O-N 2.87Å; Q40-L42 PolarHBondContact O-N 2.85Å
41E98.5Very high98.3Very high87 Ų8770.8 Ų70.841%0.40735%0.345SS..EExtended strand (participates in β ladder)trans-64.8127.8173.5-174.8173.7164.100109.8K34 F36K34-E41 HydrophobicContact CD-CG 4.47Å; K34-E41 WeakPolarHBondContact CD-OE1 3.05Å; K34-E41 WeakPolarHBondContact CE-OE1 3.33Å; K34-E41 VanDerWaalsContact NZ-CD 3.27Å; K34-E41 IonicContact NZ-OE1 2.81Å; K34-E41 PolarHBondContact NZ-OE1 2.95Å; K34-E41 IonicContact NZ-OE2 2.74Å; K34-E41 PolarHBondContact NZ-OE2 2.96Å; F36-E41 HydrophobicContact CD1-CB 4.02Å; F36-E41 HydrophobicContact CE1-CB 3.69Å; F36-E41 HydrophobicContact CE1-CG 4.22Å; F36-E41 HydrophobicContact CZ-CB 4.33Å; F36-E41 HydrophobicContact CZ-CG 4.37Å
42L98.6Very high98.2Very high16 Ų1674.3 Ų74.38%0.08436%0.361CS..EExtended strand (participates in β ladder)trans-85.9133.3173.2-58.2-179.6000109.1W35 F37 Q40 Y48 I50 L63 Y76W35-L42 HydrophobicContact CB-CB 4.29Å; W35-L42 HydrophobicContact CB-CD1 4.29Å; W35-L42 PolarHBondContact O-N 2.93Å; F37-L42 HydrophobicContact CB-CD1 4.13Å; F37-L42 HydrophobicContact CB-CD2 4.08Å; F37-L42 HydrophobicContact CB-CG 4.31Å; Q40-L42 PolarHBondContact O-N 2.85Å; L42-Y48 HydrophobicContact CD2-CD2 4.22Å; L42-Y48 HydrophobicContact CD2-CE2 3.74Å; L42-I50 HydrophobicContact CB-CD1 4.07Å; L42-I50 WeakPolarHBondContact O-CD1 3.3Å; L42-L63 HydrophobicContact CD1-CD1 4.14Å; L42-L63 HydrophobicContact CD1-CD2 3.64Å; L42-Y76 HydrophobicContact CD1-CD1 3.86Å; L42-Y76 HydrophobicContact CD1-CE1 3.72Å
43T98.3Very high98.2Very high85 Ų8577.5 Ų77.552%0.52137%0.368SS..  trans-122.9159.3177.857.70000110.3N45T43-N45 PolarHBondContact O-N 2.72Å
44N98.6Very high98.2Very high102 Ų10282.3 Ų82.355%0.54539%0.387SS..  trans-59.1127.8175.7-83.8-58.3000110.8T49 I50N44-T49 WeakPolarHBondContact OD1-CA 3.17Å; N44-I50 PolarHBondContact ND2-O 2.78Å; N44-I50 PolarHBondContact OD1-N 3.21Å; N44-I50 PolarHBondContact OD1-O 2.91Å
45N98.1Very high98.1Very high75 Ų7583.6 Ų83.640%0.40139%0.394SS..SBendtrans-158.1-166.2175.363.339.2000110T43 R47 Y48T43-N45 PolarHBondContact O-N 2.72Å; N45-R47 VanDerWaalsContact C-N 3.26Å; N45-R47 PolarHBondContact O-N 2.98Å; N45-R47 WeakPolarHBondContact OD1-CA 3.45Å; N45-R47 PolarHBondContact OD1-N 2.98Å; N45-Y48 PolarHBondContact N-O 3.14Å; N45-Y48 PolarHBondContact OD1-N 3.14Å
46D97.8Very high97.8Very high147 Ų14790.7 Ų90.779%0.78644%0.438SS*.SBendtrans-62.1-33.7-178.9-65.1-27.2000113K66D46-K66 WeakPolarHBondContact O-CD 3.34Å; D46-K66 PolarHBondContact O-NZ 2.89Å
47R97.1Very high97.5Very high84 Ų8490.2 Ų90.232%0.31744%0.444SS..SBendtrans-87.9-38.1179.5-60.4-162.572.2-149.2-5113.5N45 K66 Q67 D72N45-R47 VanDerWaalsContact C-N 3.26Å; N45-R47 PolarHBondContact O-N 2.98Å; N45-R47 WeakPolarHBondContact OD1-CA 3.45Å; N45-R47 PolarHBondContact OD1-N 2.98Å; R47-K66 PolarHBondContact O-N 3.07Å; R47-Q67 PolarHBondContact NH2-O 3Å; R47-Q67 VanDerWaalsContact NH2-O 3.13Å; R47-D72 IonicContact CZ-OD1 3.73Å; R47-D72 IonicContact CZ-OD2 3.81Å; R47-D72 IonicContact NH1-OD1 3.76Å; R47-D72 PolarHBondContact NH1-OD1 2.99Å; R47-D72 VanDerWaalsContact NH1-OD1 3.14Å; R47-D72 IonicContact NH1-OD2 2.75Å; R47-D72 IonicContact NH2-OD1 3.65Å; R47-D72 IonicContact NH2-OD2 3.57Å; R47-D72 PolarHBondContact NH2-OD2 2.78Å
48Y98.6Very high97.4Very high28 Ų2893.1 Ų93.111%0.1146%0.457CS..EExtended strand (participates in β ladder)trans-110.3130.9-173.6-56.2-51.6000112.2L42 N45 L63 Q64 I65L42-Y48 HydrophobicContact CD2-CD2 4.22Å; L42-Y48 HydrophobicContact CD2-CE2 3.74Å; N45-Y48 PolarHBondContact N-O 3.14Å; N45-Y48 PolarHBondContact OD1-N 3.14Å; Y48-L63 HydrophobicContact CD1-CD1 4.16Å; Y48-L63 HydrophobicContact CG-CD1 4.37Å; Y48-Q64 WeakPolarHBondContact CA-O 3.42Å; Y48-I65 HydrophobicContact CD1-CB 4.4Å; Y48-I65 HydrophobicContact CD1-CG1 3.98Å; Y48-I65 HydrophobicContact CD1-CG2 4.32Å; Y48-I65 HydrophobicContact CE1-CB 4.37Å; Y48-I65 HydrophobicContact CE1-CD1 4.35Å; Y48-I65 HydrophobicContact CE1-CG1 3.94Å; Y48-I65 HydrophobicContact CE1-CG2 3.92Å
49T98.7Very high97.5Very high27 Ų2786.8 Ų86.817%0.16643%0.429CS..EExtended strand (participates in β ladder)trans-120.8110.8170.2-60.40000109.8N44 K51 Q64N44-T49 WeakPolarHBondContact OD1-CA 3.17Å; T49-K51 HydrophobicContact CG2-CD 4.33Å; T49-K51 HydrophobicContact CG2-CG 4.21Å; T49-Q64 PolarHBondContact N-O 3.26Å; T49-Q64 PolarHBondContact O-N 3.02Å
50I98.8Very high97.6Very high30 Ų3081.2 Ų81.215%0.15440%0.401CS..EExtended strand (participates in β ladder)trans-107125.7-179.4-61.3169.1000108.7W35 L42 N44 T62 L63W35-I50 HydrophobicContact CB-CD1 4.45Å; L42-I50 HydrophobicContact CB-CD1 4.07Å; L42-I50 WeakPolarHBondContact O-CD1 3.3Å; N44-I50 PolarHBondContact ND2-O 2.78Å; N44-I50 PolarHBondContact OD1-N 3.21Å; N44-I50 PolarHBondContact OD1-O 2.91Å; I50-T62 VanDerWaalsContact CA-O 3.29Å; I50-T62 WeakPolarHBondContact CA-O 3.26Å; I50-L63 HydrophobicContact CD1-CD1 4.19Å; I50-L63 HydrophobicContact CG1-CD1 3.67Å
51K98.5Very high97.6Very high133 Ų13374.4 Ų74.458%0.57837%0.369SS*.EExtended strand (participates in β ladder)trans-133.1148.3-180-63.4178.4177.6173.60110.6T49 C61 T62T49-K51 HydrophobicContact CG2-CD 4.33Å; T49-K51 HydrophobicContact CG2-CG 4.21Å; K51-C61 WeakPolarHBondContact O-CA 3.45Å; K51-T62 PolarHBondContact N-O 3.31Å; K51-T62 PolarHBondContact O-N 3.41Å
52K98.1Very high97.6Very high77 Ų7771.3 Ų71.334%0.33536%0.356SS..EExtended strand (participates in β ladder)trans-131.8117.5171.7-176.1-176.170.8175.40108E30 P31 V33 Y59 A60E30-K52 WeakPolarHBondContact OE1-CE 3.04Å; E30-K52 IonicContact OE1-NZ 2.73Å; E30-K52 PolarHBondContact OE1-NZ 3Å; P31-K52 PolarHBondContact O-NZ 2.75Å; V33-K52 HydrophobicContact CB-CD 4.4Å; V33-K52 HydrophobicContact CG2-CD 3.97Å; K52-Y59 HydrophobicContact CD-CD1 4.13Å; K52-Y59 HydrophobicContact CG-CD1 4.2Å; K52-A60 CarbonylContact C-O 3.55Å; K52-A60 WeakPolarHBondContact CA-O 3.38Å
53R98Very high97.6Very high179 Ų17970.5 Ų70.568%0.67535%0.352SS*.EExtended strand (participates in β ladder)trans-106.8121.5176.6-179.5-175174.8-149.20.2109.4Y59 A60R53-Y59 CarbonylContact O-C 3.55Å; R53-Y59 VanDerWaalsContact O-CA 3.3Å; R53-Y59 WeakPolarHBondContact O-CA 3.11Å; R53-A60 HydrophobicContact CB-CB 4.4Å; R53-A60 PolarHBondContact N-O 3.02Å; R53-A60 PolarHBondContact O-N 3.03Å
54K97.7Very high97.6Very high126 Ų12668.2 Ų68.255%0.54834%0.336SS..EExtended strand (participates in β ladder)trans-74.4137.7176.1-174.7170.4-165.7158.40111.7E30 Y59E30-K54 IonicContact OE2-NZ 3.14Å; E30-K54 PolarHBondContact OE2-NZ 2.85Å; K54-Y59 HydrophobicContact CB-CD1 4.05Å; K54-Y59 HydrophobicContact CB-CE1 3.91Å; K54-Y59 HydrophobicContact CD-CE1 4Å; K54-Y59 HydrophobicContact CG-CD1 4.17Å; K54-Y59 HydrophobicContact CG-CE1 3.58Å
55M96.1Very high97.6Very high85 Ų8563.3 Ų63.342%0.41931%0.31SS..  trans-130.4178.3170.4-59.4173.465.300108.1M24 G57 K58M24-M55 HydrophobicContact CE-SD 4.04Å; M24-M55 HydrophobicContact SD-SD 4.35Å; M55-G57 PolarHBondContact O-N 3.41Å; M55-K58 CarbonylContact C-O 3.54Å; M55-K58 WeakPolarHBondContact CA-O 3.37Å; M55-K58 HydrophobicContact CB-CB 4.3Å; M55-K58 WeakPolarHBondContact CB-O 3.29Å; M55-K58 PolarHBondContact N-O 2.91Å; M55-K58 PolarHBondContact O-N 2.94Å; M55-K58 VanDerWaalsContact O-O 3.13Å
56V93Very high97.6Very high150 Ų15063.7 Ų63.791%0.90931%0.308SS*.SBendtrans-65.6106.8177.2-177.60000109.6K58V56-K58 PolarHBondContact O-N 2.83Å; V56-K58 VanDerWaalsContact O-N 3.11Å
57G92.1Very high97.5Very high31 Ų3164 Ų6432%0.3230%0.304SS..SBendtrans68.82.1179.300000115.7A27 M55A27-G57 PolarHBondContact N-O 2.9Å; A27-G57 VanDerWaalsContact N-O 3.12Å; M55-G57 PolarHBondContact O-N 3.41Å
58K97.6Very high97.3Very high78 Ų7861 Ų6134%0.33930%0.296SS..EExtended strand (participates in β ladder)trans-137.2158.8-173.7-60.9-166175-156.50112E6 M24 V25 S26 M55 V56E6-K58 VanDerWaalsContact CD-NZ 3.3Å; E6-K58 WeakPolarHBondContact OE1-CD 3.29Å; E6-K58 WeakPolarHBondContact OE1-CE 3.37Å; E6-K58 IonicContact OE1-NZ 2.72Å; E6-K58 PolarHBondContact OE1-NZ 2.88Å; E6-K58 IonicContact OE2-NZ 2.79Å; E6-K58 PolarHBondContact OE2-NZ 3.44Å; E6-K58 VanDerWaalsContact OE2-NZ 3.14Å; M24-K58 HydrophobicContact CG-CB 4.42Å; M24-K58 HydrophobicContact CG-CD 4.15Å; M24-K58 HydrophobicContact SD-CB 3.81Å; M24-K58 HydrophobicContact SD-CD 4.34Å; V25-K58 CarbonylContact O-C 3.43Å; V25-K58 VanDerWaalsContact O-CA 3.26Å; V25-K58 WeakPolarHBondContact O-CA 3.44Å; S26-K58 WeakPolarHBondContact OG-CE 3.44Å; M55-K58 CarbonylContact C-O 3.54Å; M55-K58 WeakPolarHBondContact CA-O 3.37Å; M55-K58 HydrophobicContact CB-CB 4.3Å; M55-K58 WeakPolarHBondContact CB-O 3.29Å; M55-K58 PolarHBondContact N-O 2.91Å; M55-K58 PolarHBondContact O-N 2.94Å; M55-K58 VanDerWaalsContact O-O 3.13Å; V56-K58 PolarHBondContact O-N 2.83Å; V56-K58 VanDerWaalsContact O-N 3.11Å
59Y98.5Very high97.1Very high9 Ų964.4 Ų64.44%0.03531%0.313CS..EExtended strand (participates in β ladder)trans-138.7118-178.7-55.1-95.3000109.9M24 V25 A27 E30 P31 K52 R53 K54 C61M24-Y59 VanDerWaalsContact SD-C 3.55Å; V25-Y59 PolarHBondContact N-O 2.73Å; V25-Y59 WeakPolarHBondContact O-CD2 3.49Å; V25-Y59 PolarHBondContact O-N 2.73Å; A27-Y59 HydrophobicContact CB-CD2 4.36Å; A27-Y59 HydrophobicContact CB-CE2 4.12Å; E30-Y59 VanDerWaalsContact CA-OH 3.23Å; E30-Y59 WeakPolarHBondContact CA-OH 3.12Å; E30-Y59 HydrophobicContact CB-CE1 4.04Å; E30-Y59 WeakPolarHBondContact CB-OH 3.34Å; E30-Y59 HydrophobicContact CG-CD1 4.36Å; E30-Y59 HydrophobicContact CG-CE1 3.51Å; P31-Y59 VanDerWaalsContact CD-CD2 3.45Å; P31-Y59 HydrophobicContact CG-CD2 3.76Å; P31-Y59 HydrophobicContact CG-CE2 4.06Å; P31-Y59 HydrophobicContact CG-CG 4.18Å; K52-Y59 HydrophobicContact CD-CD1 4.13Å; K52-Y59 HydrophobicContact CG-CD1 4.2Å; R53-Y59 CarbonylContact O-C 3.55Å; R53-Y59 VanDerWaalsContact O-CA 3.3Å; R53-Y59 WeakPolarHBondContact O-CA 3.11Å; K54-Y59 HydrophobicContact CB-CD1 4.05Å; K54-Y59 HydrophobicContact CB-CE1 3.91Å; K54-Y59 HydrophobicContact CD-CE1 4Å; K54-Y59 HydrophobicContact CG-CD1 4.17Å; K54-Y59 HydrophobicContact CG-CE1 3.58Å; Y59-C61 PolarHBondContact O-SG 2.99Å; Y59-C61 VanDerWaalsContact O-SG 3.41Å
60A98.3Very high96.9Very high13 Ų1368.5 Ų68.511%0.10733%0.333CS..EExtended strand (participates in β ladder)trans-79.1120.7169.500000108.5M24 K52 R53M24-A60 HydrophobicContact CE-CB 4Å; M24-A60 HydrophobicContact SD-CB 4.47Å; K52-A60 CarbonylContact C-O 3.55Å; K52-A60 WeakPolarHBondContact CA-O 3.38Å; R53-A60 HydrophobicContact CB-CB 4.4Å; R53-A60 PolarHBondContact N-O 3.02Å; R53-A60 PolarHBondContact O-N 3.03Å
61C98.7Very high96.7Very high0 Ų070.5 Ų70.50%035%0.35CS..EExtended strand (participates in β ladder)trans-121.5128.6-172.5-56.40000109.5E22 C23 V33 K51 Y59E22-C61 WeakPolarHBondContact CA-O 3.39Å; C23-C61 PolarHBondContact N-O 3Å; C23-C61 PolarHBondContact O-N 2.76Å; V33-C61 HydrophobicContact CG1-CB 4.01Å; K51-C61 WeakPolarHBondContact O-CA 3.45Å; Y59-C61 PolarHBondContact O-SG 2.99Å; Y59-C61 VanDerWaalsContact O-SG 3.41Å
62T98.7Very high96.6Very high22 Ų2264.4 Ų64.414%0.13532%0.324CS..EExtended strand (participates in β ladder)trans-131.7144.3-175.864.70000112.5L20 F21 E22 I50 K51L20-T62 HydrophobicContact CD1-CG2 4.21Å; F21-T62 CarbonylContact O-C 3.52Å; F21-T62 WeakPolarHBondContact O-CA 3.25Å; E22-T62 HydrophobicContact CB-CG2 4.13Å; E22-T62 HydrophobicContact CG-CG2 3.99Å; I50-T62 VanDerWaalsContact CA-O 3.29Å; I50-T62 WeakPolarHBondContact CA-O 3.26Å; K51-T62 PolarHBondContact N-O 3.31Å; K51-T62 PolarHBondContact O-N 3.41Å
63L98.8Very high96.6Very high0 Ų063.9 Ų63.90%032%0.323CS..EExtended strand (participates in β ladder)trans-120.2119.8163.7163.769.7000107.8F21 W35 L42 Y48 I50 I65 Y76F21-L63 HydrophobicContact CB-CB 4.23Å; F21-L63 HydrophobicContact CD2-CD2 4.42Å; F21-L63 PolarHBondContact N-O 2.89Å; F21-L63 PolarHBondContact O-N 2.95Å; W35-L63 HydrophobicContact CB-CD2 4.2Å; W35-L63 HydrophobicContact CD2-CB 3.65Å; W35-L63 HydrophobicContact CD2-CD2 4.06Å; W35-L63 HydrophobicContact CD2-CG 4.47Å; W35-L63 HydrophobicContact CE3-CB 4.03Å; W35-L63 HydrophobicContact CE3-CD2 3.86Å; W35-L63 HydrophobicContact CG-CB 3.92Å; W35-L63 HydrophobicContact CG-CD2 4.22Å; W35-L63 HydrophobicContact CZ2-CB 4.2Å; W35-L63 HydrophobicContact CZ3-CB 4.45Å; L42-L63 HydrophobicContact CD1-CD1 4.14Å; L42-L63 HydrophobicContact CD1-CD2 3.64Å; Y48-L63 HydrophobicContact CD1-CD1 4.16Å; Y48-L63 HydrophobicContact CG-CD1 4.37Å; I50-L63 HydrophobicContact CD1-CD1 4.19Å; I50-L63 HydrophobicContact CG1-CD1 3.67Å; L63-I65 HydrophobicContact CG-CG1 4.38Å; L63-Y76 HydrophobicContact CD2-CD1 3.63Å; L63-Y76 HydrophobicContact CD2-CE1 3.96Å
64Q98.6Very high96.5Very high36 Ų3656.8 Ų56.817%0.16831%0.305CS..EExtended strand (participates in β ladder)trans-106.4127.9173.4-170.8179.31.600109.7S18 V19 L20 Y48 T49S18-Q64 PolarHBondContact OG-NE2 2.81Å; V19-Q64 CarbonylContact O-C 3.53Å; V19-Q64 VanDerWaalsContact O-CA 3.32Å; V19-Q64 WeakPolarHBondContact O-CA 3.34Å; L20-Q64 HydrophobicContact CD1-CB 3.83Å; L20-Q64 HydrophobicContact CD1-CG 4.29Å; Y48-Q64 WeakPolarHBondContact CA-O 3.42Å; T49-Q64 PolarHBondContact N-O 3.26Å; T49-Q64 PolarHBondContact O-N 3.02Å
65I98.3Very high96.6Very high0 Ų055 Ų550%030%0.301CS..EExtended strand (participates in β ladder)trans-104.9113174.4-51.4179.9000108.2S18 V19 F21 Y48 L63 P68 Y76S18-I65 VanDerWaalsContact CA-O 3.31Å; S18-I65 WeakPolarHBondContact CA-O 3.46Å; S18-I65 VanDerWaalsContact CB-O 3.29Å; S18-I65 WeakPolarHBondContact CB-O 3.31Å; V19-I65 PolarHBondContact N-O 2.92Å; V19-I65 PolarHBondContact O-N 3.41Å; F21-I65 HydrophobicContact CD2-CD1 4.43Å; F21-I65 HydrophobicContact CE2-CD1 3.67Å; F21-I65 HydrophobicContact CE2-CG1 4.27Å; F21-I65 HydrophobicContact CZ-CD1 4.37Å; Y48-I65 HydrophobicContact CD1-CB 4.4Å; Y48-I65 HydrophobicContact CD1-CG1 3.98Å; Y48-I65 HydrophobicContact CD1-CG2 4.32Å; Y48-I65 HydrophobicContact CE1-CB 4.37Å; Y48-I65 HydrophobicContact CE1-CD1 4.35Å; Y48-I65 HydrophobicContact CE1-CG1 3.94Å; Y48-I65 HydrophobicContact CE1-CG2 3.92Å; L63-I65 HydrophobicContact CG-CG1 4.38Å; I65-P68 HydrophobicContact CG2-CB 4.35Å; I65-Y76 HydrophobicContact CD1-CE1 3.76Å; I65-Y76 HydrophobicContact CD1-CE2 4.29Å; I65-Y76 VanDerWaalsContact CD1-OH 3.26Å; I65-Y76 WeakPolarHBondContact CD1-OH 3.43Å
66K97.5Very high96.7Very high82 Ų8250.9 Ų50.936%0.35728%0.281SS..SBendtrans-82.6141175.6-56.3-175.9-155148.10110.1D46 R47D46-K66 WeakPolarHBondContact O-CD 3.34Å; D46-K66 PolarHBondContact O-NZ 2.89Å; R47-K66 PolarHBondContact O-N 3.07Å
67Q94.9Very high97Very high154 Ų15445.8 Ų45.872%0.7225%0.246SC*.SBendtrans46.561.2178.9-58.4177.715.800111.1R47 Q69R47-Q67 PolarHBondContact NH2-O 3Å; R47-Q67 VanDerWaalsContact NH2-O 3.13Å; Q67-Q69 PolarHBondContact O-NE2 2.81Å
68P95Very high97.3Very high22 Ų2244.3 Ų44.314%0.14323%0.231CC..  trans-57.3147-178.831-39.1000109.7G17 V19 I65 D72 M95G17-P68 WeakPolarHBondContact O-CD 3.29Å; V19-P68 HydrophobicContact CG2-CB 4.35Å; V19-P68 HydrophobicContact CG2-CG 4Å; I65-P68 HydrophobicContact CG2-CB 4.35Å; P68-D72 WeakPolarHBondContact CA-OD2 3.21Å; P68-M95 HydrophobicContact CB-CE 3.57Å; P68-M95 HydrophobicContact CG-CE 3.8Å; P68-M95 VanDerWaalsContact O-CE 3.3Å; P68-M95 WeakPolarHBondContact O-CE 3.45Å
69Q94.3Very high97.3Very high99 Ų9941.1 Ų41.146%0.46322%0.218SC..  trans-123.3165.5179.3-57.6-59-52.100109.9Q67 S71 D72Q67-Q69 PolarHBondContact O-NE2 2.81Å; Q69-S71 PolarHBondContact O-N 3.15Å; Q69-S71 VanDerWaalsContact O-N 3.1Å; Q69-D72 PolarHBondContact N-OD2 3.11Å; Q69-D72 WeakPolarHBondContact O-CB 3.17Å; Q69-D72 PolarHBondContact O-N 3.42Å
70N93.2Very high97.4Very high112 Ų11240.7 Ų40.760%0.59922%0.216SC*.G310 helixtrans-55.5-30.3175.6-79.2-16.5000113.2D72 Q73N70-D72 VanDerWaalsContact C-N 3.26Å; N70-D72 PolarHBondContact O-N 3.24Å; N70-Q73 WeakPolarHBondContact O-CB 3.41Å; N70-Q73 WeakPolarHBondContact O-CG 3.3Å; N70-Q73 PolarHBondContact O-N 2.78Å; N70-Q73 PolarHBondContact O-NE2 2.77Å; N70-Q73 VanDerWaalsContact O-NE2 3.14Å
71S95.4Very high97.4Very high73 Ų7342.7 Ų42.751%0.5123%0.227SC..G310 helixtrans-71-17.2177.857.30000114.7Q69 Q73Q69-S71 PolarHBondContact O-N 3.15Å; Q69-S71 VanDerWaalsContact O-N 3.1Å; S71-Q73 VanDerWaalsContact C-N 3.25Å
72D96.4Very high97.3Very high4 Ų443.2 Ų43.22%0.02123%0.23CC..G310 helixtrans-83-5.5178.9-56.8-34.6000111.3R47 P68 Q69 N70 Y76 Y93R47-D72 IonicContact CZ-OD1 3.73Å; R47-D72 IonicContact CZ-OD2 3.81Å; R47-D72 IonicContact NH1-OD1 3.76Å; R47-D72 PolarHBondContact NH1-OD1 2.99Å; R47-D72 VanDerWaalsContact NH1-OD1 3.14Å; R47-D72 IonicContact NH1-OD2 2.75Å; R47-D72 IonicContact NH2-OD1 3.65Å; R47-D72 IonicContact NH2-OD2 3.57Å; R47-D72 PolarHBondContact NH2-OD2 2.78Å; P68-D72 WeakPolarHBondContact CA-OD2 3.21Å; Q69-D72 PolarHBondContact N-OD2 3.11Å; Q69-D72 WeakPolarHBondContact O-CB 3.17Å; Q69-D72 PolarHBondContact O-N 3.42Å; N70-D72 VanDerWaalsContact C-N 3.26Å; N70-D72 PolarHBondContact O-N 3.24Å; D72-Y76 VanDerWaalsContact O-CE2 3.26Å; D72-Y76 WeakPolarHBondContact O-CE2 3.43Å; D72-Y76 PolarHBondContact O-OH 3.33Å; D72-Y93 HydrophobicContact CB-CE1 4.44Å; D72-Y93 WeakPolarHBondContact O-CD1 3.32Å
73Q96.8Very high97.3Very high67 Ų6747.9 Ų47.931%0.31326%0.261SS..  trans-67.6142.7173.1-62.9-178.291.800111.2F37 N70 S71 Y93 M95F37-Q73 WeakPolarHBondContact CZ-O 3.48Å; N70-Q73 WeakPolarHBondContact O-CB 3.41Å; N70-Q73 WeakPolarHBondContact O-CG 3.3Å; N70-Q73 PolarHBondContact O-N 2.78Å; N70-Q73 PolarHBondContact O-NE2 2.77Å; N70-Q73 VanDerWaalsContact O-NE2 3.14Å; S71-Q73 VanDerWaalsContact C-N 3.25Å; Q73-Y93 WeakPolarHBondContact CA-O 3.37Å; Q73-M95 HydrophobicContact CG-CB 3.9Å
74G97.6Very high97.3Very high30 Ų3054.9 Ų54.931%0.30929%0.287SS..EExtended strand (participates in β ladder)trans143-158.2178.200000112.8Y93G74-Y93 PolarHBondContact N-O 2.79Å; G74-Y93 PolarHBondContact O-N 2.84Å
75I98.5Very high97.3Very high87 Ų8754.5 Ų54.545%0.44629%0.293SS..EExtended strand (participates in β ladder)trans-100120.8-175-57.8173.7000109.3E90I75-E90 HydrophobicContact CG2-CB 3.72Å; I75-E90 HydrophobicContact CG2-CG 4.03Å
76Y98.6Very high97.3Very high0 Ų060.2 Ų60.20%032%0.318CS..EExtended strand (participates in β ladder)trans-99.4133.5171.6-73.3-98.7000109.4F21 F36 F37 L42 L63 I65 D72 E90 Q91 Y93F21-Y76 AromaticContact CE1-CD2 3.82Å; F21-Y76 HydrophobicContact CE1-CD2 3.82Å; F21-Y76 AromaticContact CE1-CG 3.95Å; F21-Y76 HydrophobicContact CE1-CG 3.95Å; F21-Y76 AromaticContact CZ-CD2 3.65Å; F21-Y76 HydrophobicContact CZ-CD2 3.65Å; F21-Y76 AromaticContact CZ-CE2 3.94Å; F21-Y76 HydrophobicContact CZ-CE2 3.94Å; F21-Y76 HydrophobicContact CZ-CG 4.02Å; F36-Y76 WeakPolarHBondContact O-CA 3.42Å; F37-Y76 HydrophobicContact CB-CD1 4.02Å; F37-Y76 HydrophobicContact CB-CE1 3.8Å; F37-Y76 HydrophobicContact CD2-CD1 4.21Å; F37-Y76 HydrophobicContact CD2-CD2 4.02Å; F37-Y76 AromaticContact CD2-CE1 3.89Å; F37-Y76 HydrophobicContact CD2-CE1 3.89Å; F37-Y76 AromaticContact CD2-CE2 3.67Å; F37-Y76 HydrophobicContact CD2-CE2 3.67Å; F37-Y76 HydrophobicContact CD2-CG 4.26Å; F37-Y76 AromaticContact CD2-CZ 3.59Å; F37-Y76 HydrophobicContact CE2-CD2 4.4Å; F37-Y76 AromaticContact CE2-CE2 3.8Å; F37-Y76 HydrophobicContact CE2-CE2 3.8Å; F37-Y76 AromaticContact CE2-CZ 3.93Å; F37-Y76 HydrophobicContact CG-CD1 4.44Å; F37-Y76 AromaticContact CG-CE1 3.95Å; F37-Y76 HydrophobicContact CG-CE1 3.95Å; F37-Y76 HydrophobicContact CG-CE2 4.48Å; F37-Y76 AromaticContact CG-CZ 3.96Å; L42-Y76 HydrophobicContact CD1-CD1 3.86Å; L42-Y76 HydrophobicContact CD1-CE1 3.72Å; L63-Y76 HydrophobicContact CD2-CD1 3.63Å; L63-Y76 HydrophobicContact CD2-CE1 3.96Å; I65-Y76 HydrophobicContact CD1-CE1 3.76Å; I65-Y76 HydrophobicContact CD1-CE2 4.29Å; I65-Y76 VanDerWaalsContact CD1-OH 3.26Å; I65-Y76 WeakPolarHBondContact CD1-OH 3.43Å; D72-Y76 VanDerWaalsContact O-CE2 3.26Å; D72-Y76 WeakPolarHBondContact O-CE2 3.43Å; D72-Y76 PolarHBondContact O-OH 3.33Å; Y76-E90 CarbonylContact O-C 3.57Å; Y76-E90 VanDerWaalsContact O-CA 3.29Å; Y76-E90 WeakPolarHBondContact O-CA 3.29Å; Y76-Q91 PolarHBondContact N-O 2.8Å; Y76-Q91 PolarHBondContact O-N 3.17Å; Y76-Y93 HydrophobicContact CE2-CD1 4.2Å
77K98.8Very high97.3Very high42 Ų4257.2 Ų57.218%0.18331%0.309CS..EExtended strand (participates in β ladder)trans-113.6129.2179.5177.4168.658.5-1570109.7W35 F36 D39 V79 K89 E90W35-K77 CarbonylContact C-O 3.57Å; W35-K77 WeakPolarHBondContact CA-O 3.36Å; F36-K77 HydrophobicContact CB-CB 4.25Å; F36-K77 PolarHBondContact N-O 3.47Å; F36-K77 PolarHBondContact O-N 2.82Å; D39-K77 IonicContact OD1-NZ 3.14Å; D39-K77 PolarHBondContact OD1-NZ 3.12Å; D39-K77 VanDerWaalsContact OD1-NZ 3.15Å; K77-V79 HydrophobicContact CD-CG2 4.5Å; K77-V79 HydrophobicContact CG-CG2 4.13Å; K77-K89 WeakPolarHBondContact CA-O 3.21Å; K77-E90 HydrophobicContact CB-CG 4.06Å; K77-E90 HydrophobicContact CD-CG 4.33Å; K77-E90 HydrophobicContact CG-CG 4.14Å
78V98.8Very high97.5Very high0 Ų054.7 Ų54.70%030%0.297CS..EExtended strand (participates in β ladder)trans-104.9134.6170.154.90000108.9I5 P9 V33 K34 W35 E88 K89I5-V78 HydrophobicContact CD1-CG1 4.02Å; P9-V78 HydrophobicContact CG-CG1 3.59Å; V33-V78 HydrophobicContact CG1-CG2 3.77Å; K34-V78 WeakPolarHBondContact O-CA 3.26Å; W35-V78 HydrophobicContact CD2-CB 4Å; W35-V78 HydrophobicContact CD2-CG2 4.21Å; W35-V78 HydrophobicContact CE3-CB 3.82Å; W35-V78 HydrophobicContact CH2-CB 3.94Å; W35-V78 HydrophobicContact CH2-CG1 4.31Å; W35-V78 HydrophobicContact CH2-CG2 4.31Å; W35-V78 HydrophobicContact CZ2-CB 4.1Å; W35-V78 HydrophobicContact CZ2-CG2 3.99Å; W35-V78 HydrophobicContact CZ3-CB 3.8Å; W35-V78 HydrophobicContact CZ3-CG1 4.3Å; V78-E88 WeakPolarHBondContact O-CA 3.19Å; V78-E88 WeakPolarHBondContact O-CB 3.32Å; V78-K89 HydrophobicContact CG1-CB 4.26Å; V78-K89 WeakPolarHBondContact CG1-O 3.31Å; V78-K89 PolarHBondContact N-O 3.08Å; V78-K89 PolarHBondContact O-N 2.73Å; V78-K89 VanDerWaalsContact O-N 3.07Å
79V98.8Very high97.7Very high11 Ų1156.9 Ų56.97%0.06730%0.304CS..EExtended strand (participates in β ladder)trans-124.6125.5178.61760000108.7V33 K34 F36 K77 K86 A87 E88V33-V79 CarbonylContact C-O 3.57Å; V33-V79 VanDerWaalsContact CA-O 3.31Å; V33-V79 WeakPolarHBondContact CA-O 3.42Å; K34-V79 PolarHBondContact N-O 2.84Å; K34-V79 PolarHBondContact O-N 2.84Å; F36-V79 HydrophobicContact CD2-CG2 3.97Å; F36-V79 HydrophobicContact CE2-CB 4.02Å; F36-V79 HydrophobicContact CE2-CG2 3.72Å; K77-V79 HydrophobicContact CD-CG2 4.5Å; K77-V79 HydrophobicContact CG-CG2 4.13Å; V79-K86 HydrophobicContact CG1-CD 3.86Å; V79-K86 VanDerWaalsContact CG1-CE 3.4Å; V79-K86 HydrophobicContact CG1-CG 3.89Å; V79-A87 WeakPolarHBondContact CA-O 3.18Å; V79-E88 HydrophobicContact CG2-CB 4.03Å
80A98.7Very high97.9Very high0 Ų057.3 Ų57.30%031%0.306CS..EExtended strand (participates in β ladder)trans-112.1126.6171.500000109.7P3 I5 V25 P31 E32 V33 K86 A87P3-A80 HydrophobicContact CB-CB 3.74Å; P3-A80 HydrophobicContact CG-CB 4.47Å; I5-A80 HydrophobicContact CG1-CB 4.39Å; V25-A80 HydrophobicContact CG1-CB 3.66Å; V25-A80 HydrophobicContact CG2-CB 4.23Å; P31-A80 HydrophobicContact CB-CB 4.37Å; E32-A80 CarbonylContact O-C 3.45Å; E32-A80 VanDerWaalsContact O-CA 3.32Å; E32-A80 WeakPolarHBondContact O-CA 3.49Å; V33-A80 HydrophobicContact CG2-CB 4.14Å; A80-K86 CarbonylContact O-C 3.59Å; A80-K86 VanDerWaalsContact O-CA 3.27Å; A80-K86 WeakPolarHBondContact O-CA 3.12Å; A80-A87 PolarHBondContact N-O 2.81Å; A80-A87 PolarHBondContact O-N 2.74Å
81T98.7Very high98.1Very high55 Ų5554.1 Ų54.134%0.33729%0.288SS..EExtended strand (participates in β ladder)trans-129.4136.1-177-55.30000110.3P31 E32P31-T81 CarbonylContact C-O 3.54Å; P31-T81 WeakPolarHBondContact CA-O 3.46Å; E32-T81 PolarHBondContact N-O 2.87Å; E32-T81 PolarHBondContact O-N 3.18Å
82N98.1Very high98.2Very high12 Ų1254.2 Ų54.26%0.06429%0.288CS..EExtended strand (participates in β ladder)trans-140.1175.8165.477.710000109.5M1 P3 P29 P31 R84 G85M1-N82 PolarHBondContact O-ND2 2.76Å; P3-N82 WeakPolarHBondContact CD-OD1 3.47Å; P3-N82 HydrophobicContact CG-CB 4.1Å; P29-N82 PolarHBondContact O-ND2 3.1Å; P29-N82 VanDerWaalsContact O-ND2 3.08Å; P31-N82 HydrophobicContact CB-CB 4.4Å; N82-R84 PolarHBondContact O-N 2.85Å; N82-R84 WeakPolarHBondContact OD1-CA 3.27Å; N82-R84 WeakPolarHBondContact OD1-CB 2.94Å; N82-R84 PolarHBondContact OD1-N 2.81Å; N82-G85 PolarHBondContact N-O 2.89Å; N82-G85 PolarHBondContact O-N 2.84Å; N82-G85 VanDerWaalsContact O-N 3.07Å; N82-G85 PolarHBondContact OD1-N 2.83Å
83P98.4Very high98.3Very high120 Ų12054.4 Ų54.478%0.77929%0.288SS*.THydrogen-bonded Turntrans-60.2-12.2-179.4-27.236.2000115.6
84R97.5Very high98.2Very high147 Ų14755.7 Ų55.756%0.55530%0.301SS*.THydrogen-bonded Turntrans-97.7-12.5-179.5-62.4179.8167.5164.3-11.5112.9D2 N28 N82D2-R84 HydrophobicContact CB-CB 4.31Å; N28-R84 WeakPolarHBondContact O-CD 3.26Å; N28-R84 PolarHBondContact O-NH1 3.42Å; N82-R84 PolarHBondContact O-N 2.85Å; N82-R84 WeakPolarHBondContact OD1-CA 3.27Å; N82-R84 WeakPolarHBondContact OD1-CB 2.94Å; N82-R84 PolarHBondContact OD1-N 2.81Å
85G98.4Very high97.7Very high28 Ų2856.2 Ų56.229%0.28930%0.296SS..EExtended strand (participates in β ladder)trans159.2-168178.700000114P3 N82P3-G85 VanDerWaalsContact CD-C 3.48Å; P3-G85 VanDerWaalsContact CD-O 3.29Å; P3-G85 WeakPolarHBondContact CD-O 3.23Å; N82-G85 PolarHBondContact N-O 2.89Å; N82-G85 PolarHBondContact O-N 2.84Å; N82-G85 VanDerWaalsContact O-N 3.07Å; N82-G85 PolarHBondContact OD1-N 2.83Å
86K98.4Very high96.8Very high119 Ų11958.3 Ų58.352%0.51731%0.307SS..EExtended strand (participates in β ladder)trans-138.5142.6-178.2173.9-177.3157.4-173.40109.3V79 A80 E88V79-K86 HydrophobicContact CG1-CD 3.86Å; V79-K86 VanDerWaalsContact CG1-CE 3.4Å; V79-K86 HydrophobicContact CG1-CG 3.89Å; A80-K86 CarbonylContact O-C 3.59Å; A80-K86 VanDerWaalsContact O-CA 3.27Å; A80-K86 WeakPolarHBondContact O-CA 3.12Å; K86-E88 WeakPolarHBondContact CE-OE2 2.89Å; K86-E88 IonicContact NZ-OE2 2.97Å; K86-E88 PolarHBondContact NZ-OE2 2.75Å
87A98.6Very high95.3Very high20 Ų2063.1 Ų63.117%0.16534%0.339CS..EExtended strand (participates in β ladder)trans-128.6152.9164.600000110.4P3 I5 V79 A80P3-A87 HydrophobicContact CB-CB 4.33Å; P3-A87 WeakPolarHBondContact O-CB 3.35Å; I5-A87 HydrophobicContact CD1-CB 4.26Å; I5-A87 HydrophobicContact CG1-CB 4.04Å; V79-A87 WeakPolarHBondContact CA-O 3.18Å; A80-A87 PolarHBondContact N-O 2.81Å; A80-A87 PolarHBondContact O-N 2.74Å
88E98.6Very high93.3Very high100 Ų10065.8 Ų65.847%0.46736%0.36SS..EExtended strand (participates in β ladder)trans-144.6151.9177.361.4-171.9-151.800111.4V78 V79 K86V78-E88 WeakPolarHBondContact O-CA 3.19Å; V78-E88 WeakPolarHBondContact O-CB 3.32Å; V79-E88 HydrophobicContact CG2-CB 4.03Å; K86-E88 WeakPolarHBondContact CE-OE2 2.89Å; K86-E88 IonicContact NZ-OE2 2.97Å; K86-E88 PolarHBondContact NZ-OE2 2.75Å
89K98.7Very high91.1Very high68 Ų6868.4 Ų68.430%0.29638%0.381SS..EExtended strand (participates in β ladder)trans-146.1152.6171.6-79.6-168.1176.8-850109.6I5 Q7 K77 V78I5-K89 HydrophobicContact CB-CD 4.1Å; I5-K89 HydrophobicContact CB-CG 4.22Å; I5-K89 HydrophobicContact CD1-CB 4.34Å; I5-K89 HydrophobicContact CD1-CG 4.45Å; I5-K89 HydrophobicContact CG2-CB 4.42Å; I5-K89 HydrophobicContact CG2-CD 3.86Å; I5-K89 HydrophobicContact CG2-CG 4.26Å; I5-K89 WeakPolarHBondContact O-CE 3.4Å; Q7-K89 WeakPolarHBondContact O-CD 3.32Å; K77-K89 WeakPolarHBondContact CA-O 3.21Å; V78-K89 HydrophobicContact CG1-CB 4.26Å; V78-K89 WeakPolarHBondContact CG1-O 3.31Å; V78-K89 PolarHBondContact N-O 3.08Å; V78-K89 PolarHBondContact O-N 2.73Å; V78-K89 VanDerWaalsContact O-N 3.07Å
90E98.5Very high88.9Confident109 Ų10974.8 Ų74.851%0.50942%0.415SS..EExtended strand (participates in β ladder)trans-115.7142.4179.9-67.8-172.6159.500110.7T8 I75 Y76 K77T8-E90 WeakPolarHBondContact CG2-O 3.48Å; I75-E90 HydrophobicContact CG2-CB 3.72Å; I75-E90 HydrophobicContact CG2-CG 4.03Å; Y76-E90 CarbonylContact O-C 3.57Å; Y76-E90 VanDerWaalsContact O-CA 3.29Å; Y76-E90 WeakPolarHBondContact O-CA 3.29Å; K77-E90 HydrophobicContact CB-CG 4.06Å; K77-E90 HydrophobicContact CD-CG 4.33Å; K77-E90 HydrophobicContact CG-CG 4.14Å
91Q98.2Very high86.3Confident45 Ų4578.9 Ų78.921%0.2144%0.443CS..EExtended strand (participates in β ladder)trans-131123.5177.6177.458.436.200109.6T8 P9 I11 F21 Y76T8-Q91 HydrophobicContact CG2-CB 4.22Å; P9-Q91 HydrophobicContact CB-CB 3.99Å; P9-Q91 HydrophobicContact CB-CG 4.29Å; P9-Q91 HydrophobicContact CG-CB 4.18Å; P9-Q91 VanDerWaalsContact O-CG 3.3Å; P9-Q91 WeakPolarHBondContact O-CG 3.39Å; P9-Q91 PolarHBondContact O-OE1 3.2Å; I11-Q91 HydrophobicContact CD1-CG 3.71Å; I11-Q91 HydrophobicContact CG1-CG 3.79Å; F21-Q91 HydrophobicContact CD1-CB 4.37Å; F21-Q91 HydrophobicContact CD1-CG 4.01Å; F21-Q91 HydrophobicContact CE1-CB 4.41Å; F21-Q91 HydrophobicContact CE1-CG 3.94Å; Y76-Q91 PolarHBondContact N-O 2.8Å; Y76-Q91 PolarHBondContact O-N 3.17Å
92S97.7Very high83.5Confident74 Ų7483 Ų8352%0.51746%0.461SS..EExtended strand (participates in β ladder)trans-78.7131.3172.6-60.40000110.5I11I11-S92 WeakPolarHBondContact CD1-O 3.4Å
93Y97.3Very high80.7Confident8 Ų892 Ų923%0.03150%0.495CS..EExtended strand (participates in β ladder)trans-118.8125.5173.3173.5-121.5000110.4I11 V19 F21 D72 Q73 G74 Y76I11-Y93 HydrophobicContact CD1-CD2 3.93Å; I11-Y93 HydrophobicContact CD1-CG 4.39Å; I11-Y93 HydrophobicContact CG2-CD2 4.24Å; V19-Y93 HydrophobicContact CG1-CD2 4.4Å; V19-Y93 HydrophobicContact CG1-CE2 3.97Å; V19-Y93 HydrophobicContact CG2-CE2 4.15Å; F21-Y93 HydrophobicContact CZ-CD1 4.26Å; F21-Y93 HydrophobicContact CZ-CD2 4.29Å; F21-Y93 AromaticContact CZ-CG 3.78Å; F21-Y93 HydrophobicContact CZ-CG 3.78Å; D72-Y93 HydrophobicContact CB-CE1 4.44Å; D72-Y93 WeakPolarHBondContact O-CD1 3.32Å; Q73-Y93 WeakPolarHBondContact CA-O 3.37Å; G74-Y93 PolarHBondContact N-O 2.79Å; G74-Y93 PolarHBondContact O-N 2.84Å; Y76-Y93 HydrophobicContact CE2-CD1 4.2Å
94V94.8Very high77.8Confident95 Ų9599 Ų9958%0.57651%0.513SS*.  trans-123.5129.4174.6174.50000106.2L96V94-L96 PolarHBondContact O-N 2.97Å
95M88.6Confident76.8Confident41 Ų4196.6 Ų96.620%0.20251%0.511CS..  trans-74.2116177.3180172.3-79.900107.5P68 Q73 C97P68-M95 HydrophobicContact CB-CE 3.57Å; P68-M95 HydrophobicContact CG-CE 3.8Å; P68-M95 VanDerWaalsContact O-CE 3.3Å; P68-M95 WeakPolarHBondContact O-CE 3.45Å; Q73-M95 HydrophobicContact CG-CB 3.9Å; M95-C97 PolarHBondContact O-N 3.06Å
96L79.1Confident75.7Confident130 Ų130100.2 Ų100.268%0.68152%0.523SS*.  trans-78.6115172-61.5176.3000107.1V94 T98V94-L96 PolarHBondContact O-N 2.97Å; L96-T98 PolarHBondContact O-N 2.68Å
97C66.8Low74.4Confident101 Ų10199.1 Ų99.168%0.68252%0.523SS*.  trans-60.1102.2168.5-61.90000107.9M95 A99M95-C97 PolarHBondContact O-N 3.06Å; C97-A99 PolarHBondContact O-N 2.85Å
98T55.8Low73Confident99 Ų99103.8 Ų103.861%0.60754%0.544SS*.  trans-67.3127.6160.2510000106L96 D100 S101L96-T98 PolarHBondContact O-N 2.68Å; T98-D100 PolarHBondContact O-N 3.21Å; T98-S101 PolarHBondContact O-N 2.93Å; T98-S101 PolarHBondContact O-OG 2.92Å
99A54.4Low71.4Confident55 Ų55104 Ų10446%0.45555%0.549SS..G310 helixtrans-55-7-172.900000115.1C97 S101 M102C97-A99 PolarHBondContact O-N 2.85Å; A99-S101 PolarHBondContact O-N 2.94Å; A99-M102 PolarHBondContact O-N 3.07Å
100D50.8Low69.5Low145 Ų145106.4 Ų106.478%0.77557%0.566SS**G310 helixtrans-67.1-10.6175.3-62.8-28.1000114.8T98T98-D100 PolarHBondContact O-N 3.21Å
101S45.1Very low67.5Low85 Ų85106.2 Ų106.259%0.59457%0.57SS**G310 helixtrans-97.9-0.3171.9580000114.9T98 A99T98-S101 PolarHBondContact O-N 2.93Å; T98-S101 PolarHBondContact O-OG 2.92Å; A99-S101 PolarHBondContact O-N 2.94Å
102M40.1Very low65.1Low142 Ų142110.9 Ų110.970%0.760%0.597SS**SBendtrans-90.63.9172.6-71-164.6-64.600114.1A99A99-M102 PolarHBondContact O-N 3.07Å
103Y38.1Very low62.4Low200 Ų200114 Ų11478%0.78460%0.604SS**  trans-12561177.9-60.8-79000111.9
104K37.9Very low59.2Low267 Ų267123.6 Ų123.6100%1.16166%0.656SS**  trans-139.70152.8-73.6-169.7-178.9-179.80108.4

Retrieved 104 of 104 residues in 49.5 ms (Link to these results)

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