A0A077ZDA2_TRITR Loading...

DUF290 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDA2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 129 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
1M76.5Confident88.8Confident156 Ų156111.1 Ų111.177%0.76859%0.586SS**  0-67.10-58.2-50.3-87.600112.4K3 L4 Y5M1-K3 PolarHBondContact O-N 3.32Å; M1-L4 WeakPolarHBondContact O-CA 3.44Å; M1-L4 WeakPolarHBondContact O-CB 3.33Å; M1-L4 PolarHBondContact O-N 3.47Å; M1-Y5 HydrophobicContact CB-CD2 4.26Å; M1-Y5 HydrophobicContact CB-CE2 4.03Å; M1-Y5 HydrophobicContact CE-CE2 4.04Å; M1-Y5 WeakPolarHBondContact O-CD2 3.33Å; M1-Y5 PolarHBondContact O-N 2.95Å
2A85.4Confident88.7Confident80 Ų80110.3 Ų110.366%0.66158%0.581SS**Hα-helixtrans-54.1-44.3-175.800000115L4 Y5 L6A2-L4 VanDerWaalsContact C-N 3.34Å; A2-L4 PolarHBondContact O-N 3.48Å; A2-Y5 PolarHBondContact O-N 2.69Å; A2-L6 WeakPolarHBondContact O-CB 3.07Å; A2-L6 PolarHBondContact O-N 2.9Å
3K88.4Confident88.6Confident181 Ų181112.8 Ų112.879%0.78759%0.585SS**Hα-helixtrans-61.7-40.1175.1-68.2-175.9178.7-178.90112.8M1 L6 S7M1-K3 PolarHBondContact O-N 3.32Å; K3-L6 PolarHBondContact O-N 3.34Å; K3-S7 WeakPolarHBondContact O-CB 3.42Å; K3-S7 PolarHBondContact O-N 2.87Å; K3-S7 PolarHBondContact O-OG 3.35Å
4L89.8Confident88.3Confident105 Ų105108.4 Ų108.455%0.5557%0.573SS.*Hα-helixtrans-66.2-44.4177.1-179.362.7000111M1 A2 L6 S7 I8M1-L4 WeakPolarHBondContact O-CA 3.44Å; M1-L4 WeakPolarHBondContact O-CB 3.33Å; M1-L4 PolarHBondContact O-N 3.47Å; A2-L4 VanDerWaalsContact C-N 3.34Å; A2-L4 PolarHBondContact O-N 3.48Å; L4-L6 VanDerWaalsContact C-N 3.35Å; L4-L6 PolarHBondContact O-N 3.48Å; L4-S7 PolarHBondContact O-N 3.38Å; L4-I8 HydrophobicContact CD1-CD1 4.18Å; L4-I8 HydrophobicContact CD1-CG1 4.43Å; L4-I8 HydrophobicContact CG-CD1 3.93Å; L4-I8 VanDerWaalsContact O-CG1 3.26Å; L4-I8 WeakPolarHBondContact O-CG1 3.38Å; L4-I8 PolarHBondContact O-N 3.37Å
5Y89.9Confident87.9Confident149 Ų149105.8 Ų105.858%0.58456%0.563SS**Hα-helixtrans-62.1-41.1174.5-74.1-66.6000112.3M1 A2 I8 L9M1-Y5 HydrophobicContact CB-CD2 4.26Å; M1-Y5 HydrophobicContact CB-CE2 4.03Å; M1-Y5 HydrophobicContact CE-CE2 4.04Å; M1-Y5 WeakPolarHBondContact O-CD2 3.33Å; M1-Y5 PolarHBondContact O-N 2.95Å; A2-Y5 PolarHBondContact O-N 2.69Å; Y5-I8 PolarHBondContact O-N 3.17Å; Y5-L9 VanDerWaalsContact O-CB 3.31Å; Y5-L9 WeakPolarHBondContact O-CB 3.47Å; Y5-L9 PolarHBondContact O-N 3.21Å
6L90.5Very high87.6Confident122 Ų122105 Ų10564%0.63956%0.563SS**Hα-helixtrans-65-41.9176.7-165.671.7000111.5A2 K3 L4 L9 S10A2-L6 WeakPolarHBondContact O-CB 3.07Å; A2-L6 PolarHBondContact O-N 2.9Å; K3-L6 PolarHBondContact O-N 3.34Å; L4-L6 VanDerWaalsContact C-N 3.35Å; L4-L6 PolarHBondContact O-N 3.48Å; L6-L9 PolarHBondContact O-N 3.28Å; L6-S10 WeakPolarHBondContact O-CB 3.44Å; L6-S10 PolarHBondContact O-N 3.2Å; L6-S10 PolarHBondContact O-OG 3.33Å
7S91.2Very high87.3Confident62 Ų62102.2 Ų102.243%0.43455%0.55SS.*Hα-helixtrans-61.8-47.4173.7-63.50000111.7K3 L4 L9 S10 I11K3-S7 WeakPolarHBondContact O-CB 3.42Å; K3-S7 PolarHBondContact O-N 2.87Å; K3-S7 PolarHBondContact O-OG 3.35Å; L4-S7 PolarHBondContact O-N 3.38Å; S7-L9 PolarHBondContact O-N 3.49Å; S7-S10 WeakPolarHBondContact CA-OG 3.2Å; S7-S10 PolarHBondContact O-N 3.04Å; S7-S10 PolarHBondContact O-OG 3Å; S7-I11 WeakPolarHBondContact O-CG1 3Å; S7-I11 PolarHBondContact O-N 3.47Å
8I92.5Very high86.9Confident77 Ų77101.7 Ų101.740%0.39554%0.544SS..Hα-helixtrans-59.5-46.6176.4-68.6165.4000110.6L4 Y5 S10 I11 L12L4-I8 HydrophobicContact CD1-CD1 4.18Å; L4-I8 HydrophobicContact CD1-CG1 4.43Å; L4-I8 HydrophobicContact CG-CD1 3.93Å; L4-I8 VanDerWaalsContact O-CG1 3.26Å; L4-I8 WeakPolarHBondContact O-CG1 3.38Å; L4-I8 PolarHBondContact O-N 3.37Å; Y5-I8 PolarHBondContact O-N 3.17Å; I8-S10 VanDerWaalsContact C-N 3.33Å; I8-S10 PolarHBondContact O-N 3.22Å; I8-I11 PolarHBondContact O-N 2.9Å; I8-L12 HydrophobicContact CG2-CD1 3.88Å; I8-L12 HydrophobicContact CG2-CG 4.35Å; I8-L12 WeakPolarHBondContact O-CG 2.97Å; I8-L12 PolarHBondContact O-N 3.18Å
9L91.6Very high86.2Confident115 Ų115101.9 Ų101.960%0.60255%0.545SS*.Hα-helixtrans-62.4-39.8178.9-17564.6000112Y5 L6 S7 L12 F13Y5-L9 VanDerWaalsContact O-CB 3.31Å; Y5-L9 WeakPolarHBondContact O-CB 3.47Å; Y5-L9 PolarHBondContact O-N 3.21Å; L6-L9 PolarHBondContact O-N 3.28Å; S7-L9 PolarHBondContact O-N 3.49Å; L9-L12 PolarHBondContact O-N 3.42Å; L9-F13 WeakPolarHBondContact O-CB 3.32Å; L9-F13 PolarHBondContact O-N 3.47Å
10S90Very high85.9Confident67 Ų67100.9 Ų100.947%0.46955%0.551SS.*Hα-helixtrans-65.6-38.4176.163.20000112.9L6 S7 I8 F13 A14L6-S10 WeakPolarHBondContact O-CB 3.44Å; L6-S10 PolarHBondContact O-N 3.2Å; L6-S10 PolarHBondContact O-OG 3.33Å; S7-S10 WeakPolarHBondContact CA-OG 3.2Å; S7-S10 PolarHBondContact O-N 3.04Å; S7-S10 PolarHBondContact O-OG 3Å; I8-S10 VanDerWaalsContact C-N 3.33Å; I8-S10 PolarHBondContact O-N 3.22Å; S10-F13 PolarHBondContact O-N 3.39Å; S10-A14 WeakPolarHBondContact O-CB 3.38Å; S10-A14 PolarHBondContact O-N 2.02Å
11I90.7Very high85.8Confident108 Ų10899.8 Ų99.855%0.55454%0.544SS*.Hα-helixtrans-66.9-46175.9-67.4164.5000109.9S7 I8 F13 A14 V15S7-I11 WeakPolarHBondContact O-CG1 3Å; S7-I11 PolarHBondContact O-N 3.47Å; I8-I11 PolarHBondContact O-N 2.9Å; I11-F13 VanDerWaalsContact C-N 3.32Å; I11-F13 PolarHBondContact O-N 3.01Å; I11-A14 PolarHBondContact O-N 2.78Å; I11-V15 WeakPolarHBondContact O-CG2 3.43Å; I11-V15 PolarHBondContact O-N 3.35Å
12L87.9Confident86.2Confident102 Ų10293.4 Ų93.453%0.53452%0.517SS..Hα-helixtrans-59.7-43.2176.4-71.2171.1000111.7I8 L9 V15 V16I8-L12 HydrophobicContact CG2-CD1 3.88Å; I8-L12 HydrophobicContact CG2-CG 4.35Å; I8-L12 WeakPolarHBondContact O-CG 2.97Å; I8-L12 PolarHBondContact O-N 3.18Å; L9-L12 PolarHBondContact O-N 3.42Å; L12-V15 PolarHBondContact O-N 3.5Å; L12-V16 VanDerWaalsContact O-CG2 3.31Å; L12-V16 WeakPolarHBondContact O-CG2 3.39Å; L12-V16 PolarHBondContact O-N 2.69Å; L12-V16 VanDerWaalsContact O-N 3.09Å
13F87.3Confident86.4Confident143 Ų14394.5 Ų94.563%0.62750%0.504SS*.Hα-helixtrans-62.5-43.5176-177.4-100.1000111.9L9 S10 I11 V15 V16 V17L9-F13 WeakPolarHBondContact O-CB 3.32Å; L9-F13 PolarHBondContact O-N 3.47Å; S10-F13 PolarHBondContact O-N 3.39Å; I11-F13 VanDerWaalsContact C-N 3.32Å; I11-F13 PolarHBondContact O-N 3.01Å; F13-V15 VanDerWaalsContact C-N 3.35Å; F13-V15 PolarHBondContact O-N 3.21Å; F13-V16 PolarHBondContact O-N 3.21Å; F13-V17 HydrophobicContact CD1-CG2 4.1Å; F13-V17 HydrophobicContact CE1-CG2 3.69Å; F13-V17 HydrophobicContact CE2-CG2 4.35Å; F13-V17 HydrophobicContact CZ-CG2 3.83Å; F13-V17 WeakPolarHBondContact O-CG2 3.5Å; F13-V17 PolarHBondContact O-N 2.93Å
14A84.2Confident86.7Confident51 Ų5189.8 Ų89.842%0.42149%0.49SS..Hα-helixtrans-60.8-42.5177.800000112.3S10 I11 V17 Q18S10-A14 WeakPolarHBondContact O-CB 3.38Å; S10-A14 PolarHBondContact O-N 2.02Å; I11-A14 PolarHBondContact O-N 2.78Å; A14-V17 PolarHBondContact O-N 3.28Å; A14-Q18 PolarHBondContact O-N 2.85Å; A14-Q18 VanDerWaalsContact O-N 3.14Å
15V82.6Confident87Confident69 Ų6989.7 Ų89.742%0.41848%0.483SS..Hα-helixtrans-61.5-46.4176173.80000110.9I11 L12 F13 V17 Q18 D19I11-V15 WeakPolarHBondContact O-CG2 3.43Å; I11-V15 PolarHBondContact O-N 3.35Å; L12-V15 PolarHBondContact O-N 3.5Å; F13-V15 VanDerWaalsContact C-N 3.35Å; F13-V15 PolarHBondContact O-N 3.21Å; V15-V17 VanDerWaalsContact C-N 3.26Å; V15-V17 PolarHBondContact O-N 2.98Å; V15-Q18 WeakPolarHBondContact O-CB 3.42Å; V15-Q18 PolarHBondContact O-N 3.09Å; V15-Q18 VanDerWaalsContact O-N 3.08Å; V15-D19 PolarHBondContact O-N 3.2Å
16V82.7Confident87.4Confident93 Ų9384 Ų8456%0.56446%0.464SS*.Hα-helixtrans-61.3-35.1178173.30000112.2L12 F13 A20L12-V16 VanDerWaalsContact O-CG2 3.31Å; L12-V16 WeakPolarHBondContact O-CG2 3.39Å; L12-V16 PolarHBondContact O-N 2.69Å; L12-V16 VanDerWaalsContact O-N 3.09Å; F13-V16 PolarHBondContact O-N 3.21Å; V16-A20 PolarHBondContact O-N 2.89Å
17V82.8Confident87.8Confident57 Ų5778.2 Ų78.235%0.34543%0.434SS..Hα-helixtrans-68.4-35.3176.4171.20000111.6F13 A14 V15 A20 L21F13-V17 HydrophobicContact CD1-CG2 4.1Å; F13-V17 HydrophobicContact CE1-CG2 3.69Å; F13-V17 HydrophobicContact CE2-CG2 4.35Å; F13-V17 HydrophobicContact CZ-CG2 3.83Å; F13-V17 WeakPolarHBondContact O-CG2 3.5Å; F13-V17 PolarHBondContact O-N 2.93Å; A14-V17 PolarHBondContact O-N 3.28Å; V15-V17 VanDerWaalsContact C-N 3.26Å; V15-V17 PolarHBondContact O-N 2.98Å; V17-A20 PolarHBondContact O-N 2.95Å; V17-L21 HydrophobicContact CG1-CD1 3.68Å; V17-L21 HydrophobicContact CG1-CG 4.49Å; V17-L21 WeakPolarHBondContact O-CD1 3.45Å; V17-L21 VanDerWaalsContact O-CG 3.22Å; V17-L21 WeakPolarHBondContact O-CG 3.4Å; V17-L21 PolarHBondContact O-N 2.93Å
18Q79.8Confident88.2Confident94 Ų9478.8 Ų78.844%0.43943%0.428SS..Hα-helixtrans-64.5-47.5176.4-70.1179.3-46.300111.5A14 V15 A20 L21 A22 F83A14-Q18 PolarHBondContact O-N 2.85Å; A14-Q18 VanDerWaalsContact O-N 3.14Å; V15-Q18 WeakPolarHBondContact O-CB 3.42Å; V15-Q18 PolarHBondContact O-N 3.09Å; V15-Q18 VanDerWaalsContact O-N 3.08Å; Q18-A20 PolarHBondContact O-N 2.85Å; Q18-L21 PolarHBondContact O-N 2.92Å; Q18-A22 PolarHBondContact O-N 2.61Å; Q18-A22 VanDerWaalsContact O-N 3.11Å; Q18-F83 HydrophobicContact CG-CZ 4.46Å
19D74.4Confident88.5Confident105 Ų10575.1 Ų75.156%0.56141%0.41SS*.Hα-helixtrans-59.5-37.3177.5-68.6-38.9000112V15 L21 A22V15-D19 PolarHBondContact O-N 3.2Å; D19-L21 PolarHBondContact O-N 2.68Å; D19-A22 PolarHBondContact O-N 2.65Å
20A79Confident88.8Confident81 Ų8171 Ų7167%0.66939%0.389SS*.Hα-helixtrans-69.2-18.4177.300000113.8V16 V17 Q18V16-A20 PolarHBondContact O-N 2.89Å; V17-A20 PolarHBondContact O-N 2.95Å; Q18-A20 PolarHBondContact O-N 2.85Å
21L84Confident89.2Confident78 Ų7868.1 Ų68.141%0.40837%0.371SS..Hα-helixtrans-104.5-6.8-177.6-66.6171.6000113V17 Q18 D19 F83V17-L21 HydrophobicContact CG1-CD1 3.68Å; V17-L21 HydrophobicContact CG1-CG 4.49Å; V17-L21 WeakPolarHBondContact O-CD1 3.45Å; V17-L21 VanDerWaalsContact O-CG 3.22Å; V17-L21 WeakPolarHBondContact O-CG 3.4Å; V17-L21 PolarHBondContact O-N 2.93Å; Q18-L21 PolarHBondContact O-N 2.92Å; D19-L21 PolarHBondContact O-N 2.68Å; L21-F83 HydrophobicContact CB-CD1 3.54Å; L21-F83 HydrophobicContact CB-CE1 3.67Å; L21-F83 HydrophobicContact CB-CG 4.47Å; L21-F83 HydrophobicContact CD1-CD1 3.75Å; L21-F83 HydrophobicContact CD1-CE1 3.35Å; L21-F83 HydrophobicContact CG-CD1 4.18Å; L21-F83 HydrophobicContact CG-CE1 4.12Å; L21-F83 WeakPolarHBondContact O-CA 3.1Å; L21-F83 PolarHBondContact O-N 3.22Å; L21-F83 VanDerWaalsContact O-N 3.11Å
22A84.5Confident89.6Confident23 Ų2366.3 Ų66.319%0.1936%0.359CS..EExtended strand (participates in β ladder)trans-67143.5170.900000111.5Q18 D19 Y80 D81 L82Q18-A22 PolarHBondContact O-N 2.61Å; Q18-A22 VanDerWaalsContact O-N 3.11Å; D19-A22 PolarHBondContact O-N 2.65Å; A22-Y80 HydrophobicContact CB-CD2 4.18Å; A22-Y80 HydrophobicContact CB-CE1 4.48Å; A22-Y80 HydrophobicContact CB-CE2 3.24Å; A22-Y80 VanDerWaalsContact CB-CZ 3.42Å; A22-Y80 VanDerWaalsContact CB-OH 3.26Å; A22-Y80 WeakPolarHBondContact CB-OH 3.26Å; A22-D81 CarbonylContact C-O 3.58Å; A22-D81 WeakPolarHBondContact CA-O 3.46Å; A22-L82 HydrophobicContact CB-CD2 4Å
23R90.8Very high90.1Very high103 Ų10361.5 Ų61.539%0.38933%0.333SS..EExtended strand (participates in β ladder)trans-120.2127.9173-45.8-171.9-179.1175.43.1109.8D81 S84 D85R23-D81 PolarHBondContact N-O 3.24Å; R23-D81 PolarHBondContact O-N 3Å; R23-S84 WeakPolarHBondContact CB-O 3.37Å; R23-S84 VanDerWaalsContact CD-O 3.28Å; R23-S84 WeakPolarHBondContact CD-O 3.23Å; R23-S84 WeakPolarHBondContact CG-O 3.1Å; R23-D85 VanDerWaalsContact CD-OD1 3.25Å; R23-D85 WeakPolarHBondContact CD-OD1 3.31Å; R23-D85 IonicContact CZ-OD2 2.68Å; R23-D85 IonicContact NH1-OD1 2.74Å; R23-D85 IonicContact NH1-OD2 2.65Å; R23-D85 PolarHBondContact NH1-OD2 2.93Å
24T94.9Very high90.6Very high82 Ų8257.1 Ų57.150%0.50332%0.316SS..EExtended strand (participates in β ladder)trans-105.1126.2167.5-57.60000108.6C78 G79T24-C78 HydrophobicContact CG2-CB 4.12Å; T24-G79 WeakPolarHBondContact CA-O 3.19Å
25R96.6Very high91.2Very high103 Ų10354.8 Ų54.839%0.38930%0.297SS..EExtended strand (participates in β ladder)trans-134148.6173.6-61.6-68.4-169.4-121.4-7.2109.4C78 G79 D85 P86 F111R25-C78 CarbonylContact O-C 3.58Å; R25-C78 VanDerWaalsContact O-CA 3.23Å; R25-C78 WeakPolarHBondContact O-CA 2.96Å; R25-G79 PolarHBondContact N-O 3.04Å; R25-G79 PolarHBondContact O-N 2.98Å; R25-D85 HydrophobicContact CG-CB 4.23Å; R25-D85 VanDerWaalsContact CG-OD1 3.32Å; R25-D85 WeakPolarHBondContact CG-OD1 3.11Å; R25-D85 IonicContact CZ-OD1 3.21Å; R25-D85 IonicContact NE-OD1 2.8Å; R25-D85 PolarHBondContact NE-OD1 2.97Å; R25-D85 IonicContact NH2-OD1 2.98Å; R25-D85 PolarHBondContact NH2-OD1 3.44Å; R25-P86 HydrophobicContact CB-CG 4.28Å; R25-F111 HydrophobicContact CB-CD1 3.4Å; R25-F111 VanDerWaalsContact CB-CD1 3.4Å; R25-F111 HydrophobicContact CB-CD2 4.47Å; R25-F111 HydrophobicContact CB-CE1 3.5Å; R25-F111 VanDerWaalsContact CB-CE1 3.5Å; R25-F111 HydrophobicContact CB-CG 3.93Å; R25-F111 HydrophobicContact CB-CZ 4.09Å; R25-F111 HydrophobicContact CG-CD1 4.12Å; R25-F111 HydrophobicContact CG-CD2 4.33Å; R25-F111 HydrophobicContact CG-CE1 4.07Å; R25-F111 HydrophobicContact CG-CE2 4.29Å; R25-F111 HydrophobicContact CG-CG 4.24Å; R25-F111 HydrophobicContact CG-CZ 4.16Å
26C98.2Very high91.7Very high30 Ų3060.2 Ų60.220%0.20331%0.31CS..EExtended strand (participates in β ladder)trans-116.9147.4179.8-48.80000109.9G77 C78 F111 Q112C26-G77 CarbonylContact C-O 3.55Å; C26-G77 VanDerWaalsContact CA-O 3.23Å; C26-G77 WeakPolarHBondContact CA-O 3.25Å; C26-C78 HydrophobicContact CB-CB 4Å; C26-C78 WeakPolarHBondContact CB-SG 3.34Å; C26-C78 WeakPolarHBondContact SG-CB 3.28Å; C26-C78 CovalentContact SG-SG 2.04Å; C26-C78 PolarHBondContact SG-SG 2.8Å; C26-F111 WeakPolarHBondContact O-CA 3.26Å; C26-Q112 HydrophobicContact CB-CG 4.36Å; C26-Q112 PolarHBondContact O-N 2.91Å
27V98.4Very high92.2Very high0 Ų059.7 Ų59.70%031%0.31CS..EExtended strand (participates in β ladder)trans-126151.8171.8-62.30000109.8L49 M62 E76 G77 P88 M109 F111V27-L49 HydrophobicContact CG2-CD1 3.45Å; V27-L49 VanDerWaalsContact CG2-CD1 3.45Å; V27-L49 HydrophobicContact CG2-CD2 3.31Å; V27-L49 HydrophobicContact CG2-CG 3.89Å; V27-M62 HydrophobicContact CG2-CE 3.94Å; V27-E76 WeakPolarHBondContact O-CA 3.5Å; V27-G77 PolarHBondContact N-O 2.83Å; V27-G77 PolarHBondContact O-N 3.11Å; V27-G77 VanDerWaalsContact O-N 3.15Å; V27-P88 HydrophobicContact CG1-CB 3.99Å; V27-P88 HydrophobicContact CG1-CG 3.77Å; V27-P88 HydrophobicContact CG2-CB 3.99Å; V27-M109 HydrophobicContact CB-SD 4.44Å; V27-M109 HydrophobicContact CG1-CB 4.27Å; V27-M109 HydrophobicContact CG2-SD 4.07Å; V27-F111 HydrophobicContact CG1-CD1 3.59Å; V27-F111 HydrophobicContact CG1-CE1 4.11Å
28K98.7Very high92.8Very high73 Ų7360.7 Ų60.732%0.31731%0.314SS..EExtended strand (participates in β ladder)trans-123.3129.5168.2-169.5176.1-167.71240108.2T74 V75 E76 Q112 L115 N116K28-T74 HydrophobicContact CG-CG2 4.36Å; K28-V75 WeakPolarHBondContact CA-O 3.24Å; K28-E76 HydrophobicContact CB-CG 4.23Å; K28-E76 HydrophobicContact CG-CB 4.24Å; K28-E76 HydrophobicContact CG-CG 4.33Å; K28-E76 IonicContact NZ-OE2 3.93Å; K28-E76 PolarHBondContact NZ-OE2 3.22Å; K28-Q112 HydrophobicContact CB-CG 4.34Å; K28-L115 HydrophobicContact CB-CD1 4.18Å; K28-L115 HydrophobicContact CD-CD1 4.04Å; K28-L115 HydrophobicContact CG-CD1 3.74Å; K28-N116 WeakPolarHBondContact O-CB 3.48Å; K28-N116 PolarHBondContact O-N 2.91Å; K28-N116 PolarHBondContact O-ND2 3.43Å
29A98.6Very high93.4Very high0 Ų064.8 Ų64.80%033%0.33CS..EExtended strand (participates in β ladder)trans-129.9144.7-179.800000111.3T74 V75 L90 M109 N116 F118A29-T74 CarbonylContact O-C 3.5Å; A29-T74 WeakPolarHBondContact O-CA 3.48Å; A29-V75 HydrophobicContact CB-CG1 4.01Å; A29-V75 PolarHBondContact N-O 2.83Å; A29-V75 PolarHBondContact O-N 3.07Å; A29-L90 HydrophobicContact CB-CD2 4.28Å; A29-M109 HydrophobicContact CB-CE 4.38Å; A29-M109 HydrophobicContact CB-SD 4.27Å; A29-N116 CarbonylContact C-O 3.57Å; A29-N116 VanDerWaalsContact CA-O 3.24Å; A29-N116 WeakPolarHBondContact CA-O 3.49Å; A29-N116 HydrophobicContact CB-CB 4.1Å; A29-F118 HydrophobicContact CB-CD2 4.37Å; A29-F118 HydrophobicContact CB-CE2 3.99Å
30T98.7Very high94.4Very high29 Ų2964.6 Ų64.618%0.17833%0.333CS..EExtended strand (participates in β ladder)trans-137.4161.3174-169.50000110.4F73 T74 L115 N116 D117 F118T30-F73 WeakPolarHBondContact CA-O 3.32Å; T30-F73 WeakPolarHBondContact CB-O 3.2Å; T30-F73 PolarHBondContact OG1-O 2.04Å; T30-T74 PolarHBondContact OG1-OG1 3.49Å; T30-L115 HydrophobicContact CG2-CD1 4.07Å; T30-L115 HydrophobicContact CG2-CD2 4.02Å; T30-L115 HydrophobicContact CG2-CG 4.17Å; T30-N116 PolarHBondContact N-O 2.78Å; T30-D117 HydrophobicContact CG2-CB 4.08Å; T30-F118 PolarHBondContact O-N 3.32Å
31G98.4Very high95.2Very high7 Ų761.6 Ų61.67%0.07231%0.308CS..EExtended strand (participates in β ladder)trans177.4-175.1174.700000110.7S72 F73 G119G31-S72 CarbonylContact O-C 3.55Å; G31-S72 WeakPolarHBondContact O-CA 3.49Å; G31-F73 VanDerWaalsContact C-CE1 3.45Å; G31-F73 PolarHBondContact N-O 2.87Å; G31-F73 VanDerWaalsContact O-CD1 3.31Å; G31-F73 WeakPolarHBondContact O-CD1 3.33Å; G31-F73 PolarHBondContact O-N 3.29Å; G31-G119 CarbonylContact C-O 3.58Å; G31-G119 WeakPolarHBondContact CA-O 3.46Å
32K98.4Very high95.8Very high69 Ų6958.1 Ų58.130%0.329%0.29SS..EExtended strand (participates in β ladder)trans-133118.4178.1-174.2170.3-179.5127.80110.1I34 D70 G71 G119 N120 I121K32-I34 HydrophobicContact CD-CD1 4.25Å; K32-I34 HydrophobicContact CG-CD1 4.01Å; K32-D70 WeakPolarHBondContact CE-O 3.32Å; K32-D70 PolarHBondContact NZ-O 2.9Å; K32-D70 VanDerWaalsContact NZ-O 3.15Å; K32-D70 IonicContact NZ-OD2 2.76Å; K32-D70 PolarHBondContact NZ-OD2 2.81Å; K32-G71 WeakPolarHBondContact CA-O 3.25Å; K32-G119 PolarHBondContact N-O 2.88Å; K32-N120 CarbonylContact O-C 3.53Å; K32-N120 WeakPolarHBondContact O-CA 3.42Å; K32-I121 PolarHBondContact O-N 2.88Å
33L98.2Very high96.5Very high1 Ų159.4 Ų59.41%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-77.4135.5177.1-52.3-176.3000109.5A42 V45 V47 G71 F73 I92 I121 L123L33-A42 HydrophobicContact CB-CB 4.1Å; L33-A42 WeakPolarHBondContact O-CB 3.21Å; L33-V45 HydrophobicContact CD1-CB 3.59Å; L33-V45 HydrophobicContact CD1-CG1 3.44Å; L33-V45 VanDerWaalsContact CD1-CG1 3.44Å; L33-V45 HydrophobicContact CD1-CG2 4.29Å; L33-V47 HydrophobicContact CD1-CG2 4.04Å; L33-G71 PolarHBondContact N-O 3.12Å; L33-F73 HydrophobicContact CD2-CD1 3.94Å; L33-F73 HydrophobicContact CD2-CE1 3.56Å; L33-F73 HydrophobicContact CG-CD1 3.91Å; L33-F73 HydrophobicContact CG-CE1 4.06Å; L33-I92 HydrophobicContact CD1-CG2 3.96Å; L33-I92 HydrophobicContact CD2-CD1 3.93Å; L33-I92 HydrophobicContact CD2-CG2 4.22Å; L33-I121 HydrophobicContact CD2-CB 3.97Å; L33-I121 HydrophobicContact CD2-CD1 4.16Å; L33-I121 HydrophobicContact CD2-CG2 4.34Å; L33-L123 HydrophobicContact CB-CD1 4.09Å; L33-L123 HydrophobicContact CB-CG 4.31Å; L33-L123 HydrophobicContact CD2-CD2 4.24Å
34I97.7Very high96.8Very high51 Ų5160.1 Ų60.126%0.26231%0.308SS..EExtended strand (participates in β ladder)trans-129.7126.1179.9-55.9-66.1000108.5K32 R36 N120 I121 L122 L123K32-I34 HydrophobicContact CD-CD1 4.25Å; K32-I34 HydrophobicContact CG-CD1 4.01Å; I34-R36 HydrophobicContact CG2-CG 4.42Å; I34-N120 HydrophobicContact CG1-CB 4.16Å; I34-I121 PolarHBondContact N-O 2.87Å; I34-L122 HydrophobicContact CB-CD2 3.91Å; I34-L122 HydrophobicContact CG2-CD2 3.91Å; I34-L122 WeakPolarHBondContact O-CA 3.32Å; I34-L123 PolarHBondContact O-N 3.42Å
35C96.8Very high97Very high3 Ų356.6 Ų56.62%0.0229%0.286CS..  trans-117.5107.5168.9-178.40000108.4S37 N38 K39 A41 C96C35-S37 VanDerWaalsContact C-N 3.35Å; C35-S37 PolarHBondContact SG-OG 2.58Å; C35-S37 VanDerWaalsContact SG-OG 3.34Å; C35-N38 WeakPolarHBondContact CB-O 3.45Å; C35-N38 CarbonylContact O-C 3.51Å; C35-N38 VanDerWaalsContact O-C 3.3Å; C35-N38 PolarHBondContact O-N 3.02Å; C35-N38 PolarHBondContact SG-O 2.89Å; C35-K39 PolarHBondContact O-N 3.15Å; C35-A41 HydrophobicContact CB-CB 4.24Å; C35-C96 VanDerWaalsContact CA-SG 3.55Å; C35-C96 HydrophobicContact CB-CB 3.73Å; C35-C96 WeakPolarHBondContact CB-SG 3.48Å; C35-C96 VanDerWaalsContact SG-CA 3.56Å; C35-C96 WeakPolarHBondContact SG-CB 3.25Å; C35-C96 CovalentContact SG-SG 2.02Å; C35-C96 PolarHBondContact SG-SG 3.3Å
36R95.1Very high97.1Very high182 Ų18253.8 Ų53.869%0.68728%0.277SS*.SBendtrans-70-36.4-175.2-53.1171.8166.4173.1-2.6111.2I34 L122 D124I34-R36 HydrophobicContact CG2-CG 4.42Å; R36-L122 VanDerWaalsContact NH2-CD1 3.31Å; R36-D124 VanDerWaalsContact CA-OD2 3.32Å; R36-D124 WeakPolarHBondContact CA-OD2 3.35Å; R36-D124 WeakPolarHBondContact CB-OD2 3.39Å; R36-D124 WeakPolarHBondContact CG-OD2 3.31Å; R36-D124 PolarHBondContact N-OD2 3.12Å
37S92.8Very high97.1Very high82 Ų8252.4 Ų52.457%0.57327%0.268SS*.SBendtrans-67.2-33.4178.258.10000113.7C35 D124C35-S37 VanDerWaalsContact C-N 3.35Å; C35-S37 PolarHBondContact SG-OG 2.58Å; C35-S37 VanDerWaalsContact SG-OG 3.34Å; S37-D124 PolarHBondContact N-OD2 2.74Å
38N94.1Very high97.1Very high79 Ų7956.1 Ų56.142%0.42228%0.282SS..  trans-152.9105.8177.6179.77.4000111C35 T40 A41C35-N38 WeakPolarHBondContact CB-O 3.45Å; C35-N38 CarbonylContact O-C 3.51Å; C35-N38 VanDerWaalsContact O-C 3.3Å; C35-N38 PolarHBondContact O-N 3.02Å; C35-N38 PolarHBondContact SG-O 2.89Å; N38-T40 VanDerWaalsContact C-N 3.27Å; N38-T40 PolarHBondContact ND2-OG1 2.86Å; N38-T40 PolarHBondContact O-N 2.83Å; N38-T40 PolarHBondContact OD1-N 2.83Å; N38-T40 PolarHBondContact OD1-OG1 2.77Å; N38-A41 HydrophobicContact CB-CB 4.1Å; N38-A41 WeakPolarHBondContact O-CB 3.26Å; N38-A41 PolarHBondContact O-N 3.3Å
39K93Very high97.1Very high180 Ų18052.6 Ų52.678%0.78327%0.267SS*.G310 helixtrans-58.6-34.3-176.2-66.7-177.3179.7179.40113.8C35 A41 A42C35-K39 PolarHBondContact O-N 3.15Å; K39-A41 PolarHBondContact O-N 3.28Å; K39-A42 PolarHBondContact O-N 2.49Å
40T95Very high97.1Very high100 Ų10053.3 Ų53.361%0.61327%0.27SS*.G310 helixtrans-73.9-15.7-179.367.70000112.4N38 A42 T43N38-T40 VanDerWaalsContact C-N 3.27Å; N38-T40 PolarHBondContact ND2-OG1 2.86Å; N38-T40 PolarHBondContact O-N 2.83Å; N38-T40 PolarHBondContact OD1-N 2.83Å; N38-T40 PolarHBondContact OD1-OG1 2.77Å; T40-A42 PolarHBondContact O-N 3.02Å; T40-T43 WeakPolarHBondContact O-CB 3.31Å; T40-T43 PolarHBondContact O-N 2.89Å; T40-T43 VanDerWaalsContact O-N 3.17Å
41A96.2Very high97Very high18 Ų1851.9 Ų51.915%0.14926%0.261CS..G310 helixtrans-76.74.5176.800000113.4C35 N38 K39 V45 C96C35-A41 HydrophobicContact CB-CB 4.24Å; N38-A41 HydrophobicContact CB-CB 4.1Å; N38-A41 WeakPolarHBondContact O-CB 3.26Å; N38-A41 PolarHBondContact O-N 3.3Å; K39-A41 PolarHBondContact O-N 3.28Å; A41-V45 WeakPolarHBondContact O-CG2 3.47Å; A41-C96 HydrophobicContact CB-CB 4.31Å
42A97.5Very high96.9Very high5 Ų553 Ų534%0.04127%0.266CS..G310 helixtrans-102-6169.100000113.1L33 K39 T40 S67 G71L33-A42 HydrophobicContact CB-CB 4.1Å; L33-A42 WeakPolarHBondContact O-CB 3.21Å; K39-A42 PolarHBondContact O-N 2.49Å; T40-A42 PolarHBondContact O-N 3.02Å; A42-S67 WeakPolarHBondContact O-CB 3.31Å; A42-S67 PolarHBondContact O-OG 3.44Å; A42-G71 WeakPolarHBondContact O-CA 3.36Å
43T97.8Very high96.6Very high51 Ų5151.2 Ų51.231%0.31326%0.259SS..THydrogen-bonded Turntrans-88.3142.6177.1-54.50000110.4T40 V45 E69T40-T43 WeakPolarHBondContact O-CB 3.31Å; T40-T43 PolarHBondContact O-N 2.89Å; T40-T43 VanDerWaalsContact O-N 3.17Å; T43-V45 PolarHBondContact O-N 2.91Å; T43-E69 PolarHBondContact OG1-O 2.97Å
44D98Very high95.9Very high118 Ų11852.8 Ų52.863%0.63128%0.276SS*.THydrogen-bonded Turntrans54.235.9177.8-163.237.4000113.1S67D44-S67 WeakPolarHBondContact CA-O 3.48Å; D44-S67 PolarHBondContact N-O 2.66Å; D44-S67 PolarHBondContact N-OG 3.16Å
45V98.3Very high95.2Very high7 Ų760 Ų604%0.04231%0.306CS..  trans-87.9130.3178.6172.10000108.7L33 A41 T43 V47 T66 S67 I92 W93 H94L33-V45 HydrophobicContact CD1-CB 3.59Å; L33-V45 HydrophobicContact CD1-CG1 3.44Å; L33-V45 VanDerWaalsContact CD1-CG1 3.44Å; L33-V45 HydrophobicContact CD1-CG2 4.29Å; A41-V45 WeakPolarHBondContact O-CG2 3.47Å; T43-V45 PolarHBondContact O-N 2.91Å; V45-V47 PolarHBondContact O-N 3Å; V45-T66 CarbonylContact O-C 3.58Å; V45-T66 VanDerWaalsContact O-CA 3.26Å; V45-T66 WeakPolarHBondContact O-CA 3.44Å; V45-S67 WeakPolarHBondContact CB-OG 3.05Å; V45-S67 PolarHBondContact N-OG 3.43Å; V45-S67 PolarHBondContact O-N 3.42Å; V45-I92 HydrophobicContact CG1-CG2 3.65Å; V45-W93 VanDerWaalsContact CG1-O 3.31Å; V45-W93 WeakPolarHBondContact CG1-O 3.19Å; V45-H94 HydrophobicContact CG1-CB 3.81Å; V45-H94 HydrophobicContact CG2-CB 4.3Å
46E98.5Very high94.6Very high45 Ų4567.4 Ų67.421%0.2134%0.342CS..EExtended strand (participates in β ladder)trans-72.6124.1179.8-179.7176.1-174.100111R48 I92 W93E46-R48 HydrophobicContact CG-CG 4.25Å; E46-R48 IonicContact OE1-CZ 3.74Å; E46-R48 IonicContact OE1-NE 2.66Å; E46-R48 PolarHBondContact OE1-NE 2.82Å; E46-R48 IonicContact OE1-NH2 3.08Å; E46-R48 PolarHBondContact OE1-NH2 2.9Å; E46-R48 IonicContact OE2-NH2 3.91Å; E46-I92 CarbonylContact O-C 3.58Å; E46-I92 WeakPolarHBondContact O-CA 3.46Å; E46-W93 HydrophobicContact CB-CB 4.32Å; E46-W93 PolarHBondContact O-N 3.01Å
47V98.7Very high94.3Very high0 Ų063.4 Ų63.40%033%0.334CS..EExtended strand (participates in β ladder)trans-120111177.1179.70000108.1L33 V45 W64 T65 F73 V75 L90 I92L33-V47 HydrophobicContact CD1-CG2 4.04Å; V45-V47 PolarHBondContact O-N 3Å; V47-W64 CarbonylContact O-C 3.55Å; V47-W64 WeakPolarHBondContact O-CA 3.33Å; V47-T65 HydrophobicContact CB-CG2 3.97Å; V47-T65 PolarHBondContact N-O 2.85Å; V47-T65 PolarHBondContact O-N 3.15Å; V47-F73 HydrophobicContact CB-CD2 4.4Å; V47-F73 HydrophobicContact CG1-CD2 3.86Å; V47-F73 HydrophobicContact CG1-CE2 3.88Å; V47-F73 HydrophobicContact CG1-CG 4.45Å; V47-F73 HydrophobicContact CG1-CZ 4.48Å; V47-F73 HydrophobicContact CG2-CB 4.37Å; V47-F73 HydrophobicContact CG2-CD1 4.27Å; V47-F73 HydrophobicContact CG2-CD2 4.31Å; V47-F73 HydrophobicContact CG2-CG 4.06Å; V47-V75 HydrophobicContact CG1-CG1 4.35Å; V47-L90 HydrophobicContact CG1-CD1 4.31Å; V47-L90 HydrophobicContact CG1-CD2 4.11Å; V47-I92 HydrophobicContact CG1-CG1 4.2Å; V47-I92 HydrophobicContact CG2-CG1 4.28Å; V47-I92 HydrophobicContact CG2-CG2 4.25Å
48R98.6Very high94.2Very high78 Ų7864.4 Ų64.429%0.29434%0.339SS..EExtended strand (participates in β ladder)trans-100.4138.3174.1-59.8-176-175.9-1763.8110.3E46 M50 W64 L90 K91E46-R48 HydrophobicContact CG-CG 4.25Å; E46-R48 IonicContact OE1-CZ 3.74Å; E46-R48 IonicContact OE1-NE 2.66Å; E46-R48 PolarHBondContact OE1-NE 2.82Å; E46-R48 IonicContact OE1-NH2 3.08Å; E46-R48 PolarHBondContact OE1-NH2 2.9Å; E46-R48 IonicContact OE2-NH2 3.91Å; R48-M50 HydrophobicContact CB-CG 4.24Å; R48-M50 HydrophobicContact CB-SD 3.81Å; R48-W64 HydrophobicContact CG-CB 4.13Å; R48-L90 CarbonylContact O-C 3.57Å; R48-L90 VanDerWaalsContact O-CA 3.31Å; R48-L90 WeakPolarHBondContact O-CA 3.32Å; R48-K91 HydrophobicContact CB-CB 4.35Å; R48-K91 PolarHBondContact N-O 3.29Å; R48-K91 PolarHBondContact O-N 3.47Å
49L98.6Very high94.3Very high0 Ų063 Ų630%033%0.331CS..EExtended strand (participates in β ladder)trans-96.2120.8166.4175.169.5000107.6V27 M62 G63 V75 P88 L90 M109V27-L49 HydrophobicContact CG2-CD1 3.45Å; V27-L49 VanDerWaalsContact CG2-CD1 3.45Å; V27-L49 HydrophobicContact CG2-CD2 3.31Å; V27-L49 HydrophobicContact CG2-CG 3.89Å; L49-M62 HydrophobicContact CD1-SD 4.28Å; L49-M62 HydrophobicContact CD2-CB 3.85Å; L49-M62 HydrophobicContact CD2-CE 4.38Å; L49-M62 HydrophobicContact CD2-SD 4.21Å; L49-M62 HydrophobicContact CG-CB 3.91Å; L49-M62 HydrophobicContact CG-CG 4.44Å; L49-M62 HydrophobicContact CG-SD 3.86Å; L49-M62 PolarHBondContact O-N 3.04Å; L49-G63 PolarHBondContact N-O 3.49Å; L49-G63 PolarHBondContact O-N 3.25Å; L49-V75 HydrophobicContact CB-CG1 4.22Å; L49-V75 HydrophobicContact CB-CG2 3.79Å; L49-P88 HydrophobicContact CD1-CB 4.27Å; L49-L90 HydrophobicContact CB-CD2 4.43Å; L49-L90 HydrophobicContact CD1-CD2 4.08Å; L49-M109 HydrophobicContact CD1-CE 3.93Å; L49-M109 HydrophobicContact CD1-SD 3.8Å
50M98Very high94.4Very high14 Ų1458.7 Ų58.77%0.06932%0.317CS..EExtended strand (participates in β ladder)trans-121.5152.8-171.5-57.3-61.7-56.200110.4R48 D59 D60 Q61 P88 Y89 K91R48-M50 HydrophobicContact CB-CG 4.24Å; R48-M50 HydrophobicContact CB-SD 3.81Å; M50-D59 HydrophobicContact CE-CB 3.96Å; M50-D59 WeakPolarHBondContact CE-O 3.22Å; M50-D60 CarbonylContact C-O 3.52Å; M50-D60 WeakPolarHBondContact CA-O 3.46Å; M50-Q61 HydrophobicContact CE-CB 4.35Å; M50-Q61 HydrophobicContact SD-CB 4.11Å; M50-Q61 HydrophobicContact SD-CG 4.14Å; M50-P88 CarbonylContact O-C 3.52Å; M50-P88 VanDerWaalsContact O-CA 3.25Å; M50-P88 WeakPolarHBondContact O-CA 3.39Å; M50-Y89 HydrophobicContact CB-CD1 3.92Å; M50-Y89 HydrophobicContact CB-CD2 4.23Å; M50-Y89 HydrophobicContact CB-CE1 3.41Å; M50-Y89 VanDerWaalsContact CB-CE1 3.41Å; M50-Y89 HydrophobicContact CB-CE2 3.76Å; M50-Y89 HydrophobicContact CB-CG 4.31Å; M50-Y89 HydrophobicContact CG-CE1 4.37Å; M50-Y89 HydrophobicContact CG-CE2 3.9Å; M50-Y89 PolarHBondContact N-O 3.34Å; M50-Y89 PolarHBondContact O-N 2.74Å; M50-K91 HydrophobicContact CG-CB 3.81Å
51D97.2Very high94.5Very high0 Ų058.5 Ų58.50%031%0.309CS..EExtended strand (participates in β ladder)trans-99.1133.7168-154.4-11.7000108.8D59 D60 M62 P86 D87D51-D59 WeakPolarHBondContact O-CA 3.31Å; D51-D59 WeakPolarHBondContact O-CB 3.35Å; D51-D60 HydrophobicContact CB-CB 4.21Å; D51-D60 PolarHBondContact N-O 2.88Å; D51-D60 PolarHBondContact O-N 2.83Å; D51-M62 HydrophobicContact CB-CG 4.09Å; D51-M62 HydrophobicContact CB-SD 4.28Å; D51-P86 WeakPolarHBondContact OD1-CA 3.08Å; D51-P86 VanDerWaalsContact OD2-CB 3.25Å; D51-P86 WeakPolarHBondContact OD2-CB 3.2Å; D51-D87 PolarHBondContact OD1-N 2.9Å
52D96Very high94.6Very high31 Ų3158.5 Ų58.517%0.16631%0.306CS..  trans-94.9104.3177.5-168.4-41.1000110.4G54 D87 Y89 K104 I107D52-G54 VanDerWaalsContact C-N 3.28Å; D52-G54 PolarHBondContact O-N 3.38Å; D52-G54 WeakPolarHBondContact OD1-CA 3.4Å; D52-G54 PolarHBondContact OD1-N 3.09Å; D52-D87 HydrophobicContact CB-CB 4Å; D52-D87 PolarHBondContact N-O 3.36Å; D52-Y89 HydrophobicContact CB-CD1 4.03Å; D52-Y89 HydrophobicContact CB-CE1 3.99Å; D52-K104 IonicContact OD2-NZ 2.83Å; D52-K104 PolarHBondContact OD2-NZ 2.8Å; D52-I107 HydrophobicContact CB-CD1 3.78Å; D52-I107 HydrophobicContact CB-CG1 4.44Å; D52-I107 WeakPolarHBondContact OD2-CD1 3.41Å
53D91.7Very high94.7Very high30 Ų3058.8 Ų58.816%0.1631%0.31CS..  trans-89.99.1-177.9-62.7-72.5000113.4N57 P58 D59 D60D53-N57 HydrophobicContact CB-CB 3.42Å; D53-N57 VanDerWaalsContact CB-CB 3.42Å; D53-P58 VanDerWaalsContact OD2-O 3.14Å; D53-D59 WeakPolarHBondContact OD2-CA 3.36Å; D53-D60 PolarHBondContact OD2-N 2.82Å; D53-D60 VanDerWaalsContact OD2-N 3.09Å
54G85.3Confident94.7Very high35 Ų3564 Ų6436%0.36132%0.324SS..  trans73.9-167.1-178.300000114.5D52 M56D52-G54 VanDerWaalsContact C-N 3.28Å; D52-G54 PolarHBondContact O-N 3.38Å; D52-G54 WeakPolarHBondContact OD1-CA 3.4Å; D52-G54 PolarHBondContact OD1-N 3.09Å; G54-M56 PolarHBondContact O-N 2.91Å
55F81.6Confident94.7Very high202 Ų20260.1 Ų60.189%0.88630%0.304SS*.THydrogen-bonded Turntrans-68.8-28.4-164.1-177.3-104.6000115.5
56M85Confident94.7Very high158 Ų15862.3 Ų62.378%0.77832%0.318SS*.THydrogen-bonded Turntrans-98.7-10.9-170.6-65.3-62.1-65.100113.6G54G54-M56 PolarHBondContact O-N 2.91Å
57N88.5Confident94.8Very high98 Ų9860.4 Ų60.452%0.52431%0.309SS..SBendtrans-120.3141.1-177.3-66.7-25.7000108.8D53D53-N57 HydrophobicContact CB-CB 3.42Å; D53-N57 VanDerWaalsContact CB-CB 3.42Å
58P91.7Very high94.7Very high103 Ų10364.9 Ų64.967%0.66933%0.333SS*.PPolyproline II helixtrans-71.9131.4172.829.8-31.6000110.4D53 D60D53-P58 VanDerWaalsContact OD2-O 3.14Å; P58-D60 PolarHBondContact O-N 2.9Å
59D95.3Very high94.7Very high50 Ų5069.5 Ų69.527%0.26736%0.358SS..PPolyproline II helixtrans-50.9125.3171.6-64.722.9000113M50 D51 D53 Y89 K104M50-D59 HydrophobicContact CE-CB 3.96Å; M50-D59 WeakPolarHBondContact CE-O 3.22Å; D51-D59 WeakPolarHBondContact O-CA 3.31Å; D51-D59 WeakPolarHBondContact O-CB 3.35Å; D53-D59 WeakPolarHBondContact OD2-CA 3.36Å; D59-Y89 WeakPolarHBondContact OD2-CE1 3.15Å; D59-Y89 PolarHBondContact OD2-OH 2.92Å; D59-K104 IonicContact OD2-NZ 3.96Å
60D95.1Very high94.7Very high90 Ų9073.4 Ų73.448%0.48138%0.379SS..PPolyproline II helixtrans-83.2144.3178.5-80.2-33.2000113.7M50 D51 D53 P58M50-D60 CarbonylContact C-O 3.52Å; M50-D60 WeakPolarHBondContact CA-O 3.46Å; D51-D60 HydrophobicContact CB-CB 4.21Å; D51-D60 PolarHBondContact N-O 2.88Å; D51-D60 PolarHBondContact O-N 2.83Å; D53-D60 PolarHBondContact OD2-N 2.82Å; D53-D60 VanDerWaalsContact OD2-N 3.09Å; P58-D60 PolarHBondContact O-N 2.9Å
61Q97.7Very high94.7Very high95 Ų9572.8 Ų72.844%0.44438%0.376SS..EExtended strand (participates in β ladder)trans-87.5115.1176.4-172-176.3-78.700110.9M50M50-Q61 HydrophobicContact CE-CB 4.35Å; M50-Q61 HydrophobicContact SD-CB 4.11Å; M50-Q61 HydrophobicContact SD-CG 4.14Å
62M98Very high94.8Very high19 Ų1974.3 Ų74.39%0.09439%0.387CS..EExtended strand (participates in β ladder)trans-83.1-32.2176.9-53.3166.874.600112.5V27 L49 D51 G77 C78 P86 P88V27-M62 HydrophobicContact CG2-CE 3.94Å; L49-M62 HydrophobicContact CD1-SD 4.28Å; L49-M62 HydrophobicContact CD2-CB 3.85Å; L49-M62 HydrophobicContact CD2-CE 4.38Å; L49-M62 HydrophobicContact CD2-SD 4.21Å; L49-M62 HydrophobicContact CG-CB 3.91Å; L49-M62 HydrophobicContact CG-CG 4.44Å; L49-M62 HydrophobicContact CG-SD 3.86Å; L49-M62 PolarHBondContact O-N 3.04Å; D51-M62 HydrophobicContact CB-CG 4.09Å; D51-M62 HydrophobicContact CB-SD 4.28Å; M62-G77 WeakPolarHBondContact O-CA 3.48Å; M62-C78 PolarHBondContact O-N 2.7Å; M62-P86 HydrophobicContact CE-CB 4.28Å; M62-P88 HydrophobicContact CE-CB 4.22Å; M62-P88 HydrophobicContact SD-CB 3.95Å
63G98.4Very high94.9Very high11 Ų1172.9 Ų72.911%0.11338%0.379CS..EExtended strand (participates in β ladder)trans-175.8168.7-176.100000112.3L49L49-G63 PolarHBondContact N-O 3.49Å; L49-G63 PolarHBondContact O-N 3.25Å
64W98.5Very high95.2Very high160 Ų16074.8 Ų74.861%0.60639%0.392SS*.EExtended strand (participates in β ladder)trans-156159.8176.572.7-78.8000111.6V47 R48 T66V47-W64 CarbonylContact O-C 3.55Å; V47-W64 WeakPolarHBondContact O-CA 3.33Å; R48-W64 HydrophobicContact CG-CB 4.13Å; W64-T66 HydrophobicContact CZ3-CG2 4.31Å
65T98.8Very high95.9Very high37 Ų3773.2 Ų73.223%0.22738%0.375CS..EExtended strand (participates in β ladder)trans-155177.9176.3-163.50000110V47 F73 T74 V75V47-T65 HydrophobicContact CB-CG2 3.97Å; V47-T65 PolarHBondContact N-O 2.85Å; V47-T65 PolarHBondContact O-N 3.15Å; T65-F73 HydrophobicContact CG2-CB 4.14Å; T65-T74 WeakPolarHBondContact CG2-O 3.23Å; T65-T74 PolarHBondContact OG1-O 2.88Å; T65-V75 HydrophobicContact CG2-CB 3.79Å; T65-V75 HydrophobicContact CG2-CG2 4.33Å
66T98.7Very high96.7Very high53 Ų5367.9 Ų67.933%0.32535%0.353SS..EExtended strand (participates in β ladder)trans-118.3155164.158.60000110.9V45 W64V45-T66 CarbonylContact O-C 3.58Å; V45-T66 VanDerWaalsContact O-CA 3.26Å; V45-T66 WeakPolarHBondContact O-CA 3.44Å; W64-T66 HydrophobicContact CZ3-CG2 4.31Å
67S98.6Very high97.3Very high4 Ų460.8 Ų60.83%0.02832%0.321CS..  trans-73.4143.6173.261.80000111.8A42 D44 V45 S72A42-S67 WeakPolarHBondContact O-CB 3.31Å; A42-S67 PolarHBondContact O-OG 3.44Å; D44-S67 WeakPolarHBondContact CA-O 3.48Å; D44-S67 PolarHBondContact N-O 2.66Å; D44-S67 PolarHBondContact N-OG 3.16Å; V45-S67 WeakPolarHBondContact CB-OG 3.05Å; V45-S67 PolarHBondContact N-OG 3.43Å; V45-S67 PolarHBondContact O-N 3.42Å; S67-S72 CarbonylContact C-O 3.52Å; S67-S72 VanDerWaalsContact CA-O 3.31Å; S67-S72 WeakPolarHBondContact CA-O 3.34Å
68N98.5Very high97.7Very high94 Ų9459.2 Ų59.250%0.50332%0.316SS..  trans-68.2175.6175.7-63-47000111.9D70 G71 S72N68-D70 PolarHBondContact O-N 2.91Å; N68-D70 VanDerWaalsContact O-N 3.12Å; N68-G71 WeakPolarHBondContact O-CA 3.47Å; N68-G71 PolarHBondContact O-N 2.93Å; N68-S72 PolarHBondContact N-O 2.7Å; N68-S72 PolarHBondContact ND2-O 2.76Å; N68-S72 PolarHBondContact ND2-OG 3.01Å
69E98Very high97.9Very high175 Ų17554.6 Ų54.682%0.81829%0.287SS*.THydrogen-bonded Turntrans-51.8-35.8177.1-67.2-175.4175.800113.6T43 G71T43-E69 PolarHBondContact OG1-O 2.97Å; E69-G71 VanDerWaalsContact C-N 3.32Å
70D97.5Very high97.8Very high83 Ų8357.3 Ų57.344%0.44429%0.294SS..THydrogen-bonded Turntrans-88.33.3179.585.8-42.2000114.1K32 N68 S72K32-D70 WeakPolarHBondContact CE-O 3.32Å; K32-D70 PolarHBondContact NZ-O 2.9Å; K32-D70 VanDerWaalsContact NZ-O 3.15Å; K32-D70 IonicContact NZ-OD2 2.76Å; K32-D70 PolarHBondContact NZ-OD2 2.81Å; N68-D70 PolarHBondContact O-N 2.91Å; N68-D70 VanDerWaalsContact O-N 3.12Å; D70-S72 VanDerWaalsContact C-N 3.35Å; D70-S72 WeakPolarHBondContact OD1-CB 3.34Å; D70-S72 PolarHBondContact OD1-N 2.67Å; D70-S72 PolarHBondContact OD1-OG 2.82Å
71G98.4Very high97.6Very high0 Ų054 Ų540%028%0.277CS..SBendtrans83.7-1.3-177.300000115.2K32 L33 A42 N68 E69K32-G71 WeakPolarHBondContact CA-O 3.25Å; L33-G71 PolarHBondContact N-O 3.12Å; A42-G71 WeakPolarHBondContact O-CA 3.36Å; N68-G71 WeakPolarHBondContact O-CA 3.47Å; N68-G71 PolarHBondContact O-N 2.93Å; E69-G71 VanDerWaalsContact C-N 3.32Å
72S98.7Very high97.2Very high32 Ų3253 Ų5322%0.22427%0.274CS..EExtended strand (participates in β ladder)trans-69.8148.8175.563.40000111.9G31 S67 N68 D70G31-S72 CarbonylContact O-C 3.55Å; G31-S72 WeakPolarHBondContact O-CA 3.49Å; S67-S72 CarbonylContact C-O 3.52Å; S67-S72 VanDerWaalsContact CA-O 3.31Å; S67-S72 WeakPolarHBondContact CA-O 3.34Å; N68-S72 PolarHBondContact N-O 2.7Å; N68-S72 PolarHBondContact ND2-O 2.76Å; N68-S72 PolarHBondContact ND2-OG 3.01Å; D70-S72 VanDerWaalsContact C-N 3.35Å; D70-S72 WeakPolarHBondContact OD1-CB 3.34Å; D70-S72 PolarHBondContact OD1-N 2.67Å; D70-S72 PolarHBondContact OD1-OG 2.82Å
73F98.8Very high96.7Very high1 Ų157.6 Ų57.60%0.00429%0.294CS..EExtended strand (participates in β ladder)trans-142.5157.7173.868.5-88.2000111.4T30 G31 L33 V47 T65 V75 L90 I121T30-F73 WeakPolarHBondContact CA-O 3.32Å; T30-F73 WeakPolarHBondContact CB-O 3.2Å; T30-F73 PolarHBondContact OG1-O 2.04Å; G31-F73 VanDerWaalsContact C-CE1 3.45Å; G31-F73 PolarHBondContact N-O 2.87Å; G31-F73 VanDerWaalsContact O-CD1 3.31Å; G31-F73 WeakPolarHBondContact O-CD1 3.33Å; G31-F73 PolarHBondContact O-N 3.29Å; L33-F73 HydrophobicContact CD2-CD1 3.94Å; L33-F73 HydrophobicContact CD2-CE1 3.56Å; L33-F73 HydrophobicContact CG-CD1 3.91Å; L33-F73 HydrophobicContact CG-CE1 4.06Å; V47-F73 HydrophobicContact CB-CD2 4.4Å; V47-F73 HydrophobicContact CG1-CD2 3.86Å; V47-F73 HydrophobicContact CG1-CE2 3.88Å; V47-F73 HydrophobicContact CG1-CG 4.45Å; V47-F73 HydrophobicContact CG1-CZ 4.48Å; V47-F73 HydrophobicContact CG2-CB 4.37Å; V47-F73 HydrophobicContact CG2-CD1 4.27Å; V47-F73 HydrophobicContact CG2-CD2 4.31Å; V47-F73 HydrophobicContact CG2-CG 4.06Å; T65-F73 HydrophobicContact CG2-CB 4.14Å; F73-V75 HydrophobicContact CE2-CG1 4.5Å; F73-L90 HydrophobicContact CE2-CD1 3.66Å; F73-L90 HydrophobicContact CZ-CD1 3.63Å; F73-I121 HydrophobicContact CE1-CD1 4.06Å; F73-I121 HydrophobicContact CZ-CD1 3.94Å
74T98.8Very high96.3Very high70 Ų7059.3 Ų59.343%0.42930%0.304SS..EExtended strand (participates in β ladder)trans-139.4126.9164.7-62.10000107.6K28 A29 T30 T65K28-T74 HydrophobicContact CG-CG2 4.36Å; A29-T74 CarbonylContact O-C 3.5Å; A29-T74 WeakPolarHBondContact O-CA 3.48Å; T30-T74 PolarHBondContact OG1-OG1 3.49Å; T65-T74 WeakPolarHBondContact CG2-O 3.23Å; T65-T74 PolarHBondContact OG1-O 2.88Å
75V98.8Very high96.1Very high2 Ų253.7 Ų53.71%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-126.314417765.10000109.2K28 A29 V47 L49 T65 F73 L90K28-V75 WeakPolarHBondContact CA-O 3.24Å; A29-V75 HydrophobicContact CB-CG1 4.01Å; A29-V75 PolarHBondContact N-O 2.83Å; A29-V75 PolarHBondContact O-N 3.07Å; V47-V75 HydrophobicContact CG1-CG1 4.35Å; L49-V75 HydrophobicContact CB-CG1 4.22Å; L49-V75 HydrophobicContact CB-CG2 3.79Å; T65-V75 HydrophobicContact CG2-CB 3.79Å; T65-V75 HydrophobicContact CG2-CG2 4.33Å; F73-V75 HydrophobicContact CE2-CG1 4.5Å; V75-L90 HydrophobicContact CG1-CD2 3.7Å
76E98.6Very high95.9Very high91 Ų9152 Ų5243%0.42528%0.276SS..EExtended strand (participates in β ladder)trans-143.3144.3179.6-173.1172.6168.200108V27 K28 Q112V27-E76 WeakPolarHBondContact O-CA 3.5Å; K28-E76 HydrophobicContact CB-CG 4.23Å; K28-E76 HydrophobicContact CG-CB 4.24Å; K28-E76 HydrophobicContact CG-CG 4.33Å; K28-E76 IonicContact NZ-OE2 3.93Å; K28-E76 PolarHBondContact NZ-OE2 3.22Å; E76-Q112 VanDerWaalsContact CD-NE2 3.3Å; E76-Q112 PolarHBondContact OE1-NE2 3.29Å
77G98.3Very high95.8Very high9 Ų953.1 Ų53.19%0.09328%0.28CS..EExtended strand (participates in β ladder)trans-176.6164.4-177.900000111.7C26 V27 M62C26-G77 CarbonylContact C-O 3.55Å; C26-G77 VanDerWaalsContact CA-O 3.23Å; C26-G77 WeakPolarHBondContact CA-O 3.25Å; V27-G77 PolarHBondContact N-O 2.83Å; V27-G77 PolarHBondContact O-N 3.11Å; V27-G77 VanDerWaalsContact O-N 3.15Å; M62-G77 WeakPolarHBondContact O-CA 3.48Å
78C97.6Very high95.8Very high64 Ų6453.1 Ų53.143%0.43228%0.28SS..EExtended strand (participates in β ladder)trans-120.9135-179.9-49.90000109.7T24 R25 C26 M62T24-C78 HydrophobicContact CG2-CB 4.12Å; R25-C78 CarbonylContact O-C 3.58Å; R25-C78 VanDerWaalsContact O-CA 3.23Å; R25-C78 WeakPolarHBondContact O-CA 2.96Å; C26-C78 HydrophobicContact CB-CB 4Å; C26-C78 WeakPolarHBondContact CB-SG 3.34Å; C26-C78 WeakPolarHBondContact SG-CB 3.28Å; C26-C78 CovalentContact SG-SG 2.04Å; C26-C78 PolarHBondContact SG-SG 2.8Å; M62-C78 PolarHBondContact O-N 2.7Å
79G95.2Very high95.8Very high6 Ų648.9 Ų48.96%0.06226%0.256CS..EExtended strand (participates in β ladder)trans-100.7161.7172.500000110T24 R25 P86T24-G79 WeakPolarHBondContact CA-O 3.19Å; R25-G79 PolarHBondContact N-O 3.04Å; R25-G79 PolarHBondContact O-N 2.98Å; G79-P86 WeakPolarHBondContact O-CG 3.26Å
80Y92.5Very high95.8Very high107 Ų10740.5 Ų40.542%0.4222%0.217SC..EExtended strand (participates in β ladder)trans-135.7125.2179.3169.2-86.1000108.3A22 L82A22-Y80 HydrophobicContact CB-CD2 4.18Å; A22-Y80 HydrophobicContact CB-CE1 4.48Å; A22-Y80 HydrophobicContact CB-CE2 3.24Å; A22-Y80 VanDerWaalsContact CB-CZ 3.42Å; A22-Y80 VanDerWaalsContact CB-OH 3.26Å; A22-Y80 WeakPolarHBondContact CB-OH 3.26Å; Y80-L82 HydrophobicContact CE1-CD2 4.07Å; Y80-L82 HydrophobicContact CE1-CG 4.17Å; Y80-L82 WeakPolarHBondContact OH-CD2 3.17Å
81D92.1Very high95.8Very high22 Ų2238.9 Ų38.912%0.11821%0.206CC..EExtended strand (participates in β ladder)trans-134140.4-179.2-124.7-5.1000111.1A22 R23 F83 S84A22-D81 CarbonylContact C-O 3.58Å; A22-D81 WeakPolarHBondContact CA-O 3.46Å; R23-D81 PolarHBondContact N-O 3.24Å; R23-D81 PolarHBondContact O-N 3Å; D81-F83 PolarHBondContact O-N 3.27Å; D81-S84 WeakPolarHBondContact CB-O 3.38Å; D81-S84 PolarHBondContact OD2-OG 3.45Å
82L88.3Confident95.8Very high73 Ų7338.9 Ų38.938%0.38221%0.206SC..EExtended strand (participates in β ladder)trans-80.8120173.3-71.4179.6000108.9A22 Y80 S84A22-L82 HydrophobicContact CB-CD2 4Å; Y80-L82 HydrophobicContact CE1-CD2 4.07Å; Y80-L82 HydrophobicContact CE1-CG 4.17Å; Y80-L82 WeakPolarHBondContact OH-CD2 3.17Å; L82-S84 PolarHBondContact O-N 2.7Å; L82-S84 VanDerWaalsContact O-N 3.12Å
83F86.8Confident95.7Very high116 Ų11640.3 Ų40.351%0.50921%0.207SC..SBendtrans70.8-13.2175.8-43-85.2000116.9Q18 L21 D81Q18-F83 HydrophobicContact CG-CZ 4.46Å; L21-F83 HydrophobicContact CB-CD1 3.54Å; L21-F83 HydrophobicContact CB-CE1 3.67Å; L21-F83 HydrophobicContact CB-CG 4.47Å; L21-F83 HydrophobicContact CD1-CD1 3.75Å; L21-F83 HydrophobicContact CD1-CE1 3.35Å; L21-F83 HydrophobicContact CG-CD1 4.18Å; L21-F83 HydrophobicContact CG-CE1 4.12Å; L21-F83 WeakPolarHBondContact O-CA 3.1Å; L21-F83 PolarHBondContact O-N 3.22Å; L21-F83 VanDerWaalsContact O-N 3.11Å; D81-F83 PolarHBondContact O-N 3.27Å
84S91.3Very high95.6Very high46 Ų4640.5 Ų40.532%0.32221%0.208SC..SBendtrans-116.9170.9175.540.20000112.1R23 D81 L82R23-S84 WeakPolarHBondContact CB-O 3.37Å; R23-S84 VanDerWaalsContact CD-O 3.28Å; R23-S84 WeakPolarHBondContact CD-O 3.23Å; R23-S84 WeakPolarHBondContact CG-O 3.1Å; D81-S84 WeakPolarHBondContact CB-O 3.38Å; D81-S84 PolarHBondContact OD2-OG 3.45Å; L82-S84 PolarHBondContact O-N 2.7Å; L82-S84 VanDerWaalsContact O-N 3.12Å
85D93.9Very high95.4Very high43 Ų4339.8 Ų39.823%0.2321%0.209CC..  trans-89.9148162.1-66.1-71000107.7R23 R25 F111R23-D85 VanDerWaalsContact CD-OD1 3.25Å; R23-D85 WeakPolarHBondContact CD-OD1 3.31Å; R23-D85 IonicContact CZ-OD2 2.68Å; R23-D85 IonicContact NH1-OD1 2.74Å; R23-D85 IonicContact NH1-OD2 2.65Å; R23-D85 PolarHBondContact NH1-OD2 2.93Å; R25-D85 HydrophobicContact CG-CB 4.23Å; R25-D85 VanDerWaalsContact CG-OD1 3.32Å; R25-D85 WeakPolarHBondContact CG-OD1 3.11Å; R25-D85 IonicContact CZ-OD1 3.21Å; R25-D85 IonicContact NE-OD1 2.8Å; R25-D85 PolarHBondContact NE-OD1 2.97Å; R25-D85 IonicContact NH2-OD1 2.98Å; R25-D85 PolarHBondContact NH2-OD1 3.44Å; D85-F111 HydrophobicContact CB-CE2 3.97Å; D85-F111 HydrophobicContact CB-CZ 3.83Å
86P95.5Very high95.3Very high2 Ų239.7 Ų39.71%0.01321%0.209CC..  trans-48.4150.8173.1-33.638.4000114.2R25 D51 M62 G79 P88 F111R25-P86 HydrophobicContact CB-CG 4.28Å; D51-P86 WeakPolarHBondContact OD1-CA 3.08Å; D51-P86 VanDerWaalsContact OD2-CB 3.25Å; D51-P86 WeakPolarHBondContact OD2-CB 3.2Å; M62-P86 HydrophobicContact CE-CB 4.28Å; G79-P86 WeakPolarHBondContact O-CG 3.26Å; P86-P88 WeakPolarHBondContact O-CD 3.16Å; P86-F111 HydrophobicContact CB-CE1 4.42Å; P86-F111 VanDerWaalsContact O-CZ 3.28Å; P86-F111 WeakPolarHBondContact O-CZ 3.36Å
87D96.5Very high94.9Very high76 Ų7638 Ų3841%0.40622%0.216SC..  trans-11072.3179-79.8-49.1000111.5D51 D52 I107D51-D87 PolarHBondContact OD1-N 2.9Å; D52-D87 HydrophobicContact CB-CB 4Å; D52-D87 PolarHBondContact N-O 3.36Å; D87-I107 HydrophobicContact CB-CG2 3.8Å
88P97.9Very high94.5Very high4 Ų441.3 Ų41.33%0.02625%0.25CC..EExtended strand (participates in β ladder)trans-70.1136.3-168.527.5-39.2000115.3V27 L49 M50 M62 P86 M109 F111V27-P88 HydrophobicContact CG1-CB 3.99Å; V27-P88 HydrophobicContact CG1-CG 3.77Å; V27-P88 HydrophobicContact CG2-CB 3.99Å; L49-P88 HydrophobicContact CD1-CB 4.27Å; M50-P88 CarbonylContact O-C 3.52Å; M50-P88 VanDerWaalsContact O-CA 3.25Å; M50-P88 WeakPolarHBondContact O-CA 3.39Å; M62-P88 HydrophobicContact CE-CB 4.22Å; M62-P88 HydrophobicContact SD-CB 3.95Å; P86-P88 WeakPolarHBondContact O-CD 3.16Å; P88-M109 HydrophobicContact CB-CB 4.21Å; P88-M109 HydrophobicContact CB-CG 4.37Å; P88-M109 HydrophobicContact CB-SD 3.96Å; P88-M109 HydrophobicContact CG-CB 3.75Å; P88-M109 HydrophobicContact CG-CG 4.36Å; P88-F111 HydrophobicContact CG-CE1 4.22Å
89Y97.7Very high94.1Very high4 Ų441.4 Ų41.42%0.01625%0.251CS..EExtended strand (participates in β ladder)trans-145.8164.6169.873.8-89.7000112.5M50 D52 D59 K91 K104 I107M50-Y89 HydrophobicContact CB-CD1 3.92Å; M50-Y89 HydrophobicContact CB-CD2 4.23Å; M50-Y89 HydrophobicContact CB-CE1 3.41Å; M50-Y89 VanDerWaalsContact CB-CE1 3.41Å; M50-Y89 HydrophobicContact CB-CE2 3.76Å; M50-Y89 HydrophobicContact CB-CG 4.31Å; M50-Y89 HydrophobicContact CG-CE1 4.37Å; M50-Y89 HydrophobicContact CG-CE2 3.9Å; M50-Y89 PolarHBondContact N-O 3.34Å; M50-Y89 PolarHBondContact O-N 2.74Å; D52-Y89 HydrophobicContact CB-CD1 4.03Å; D52-Y89 HydrophobicContact CB-CE1 3.99Å; D59-Y89 WeakPolarHBondContact OD2-CE1 3.15Å; D59-Y89 PolarHBondContact OD2-OH 2.92Å; Y89-K91 HydrophobicContact CE2-CB 3.98Å; Y89-K104 HydrophobicContact CD2-CB 4.49Å; Y89-K104 HydrophobicContact CD2-CD 3.87Å; Y89-K104 HydrophobicContact CD2-CG 3.58Å; Y89-K104 HydrophobicContact CE2-CB 4.47Å; Y89-K104 HydrophobicContact CE2-CD 3.65Å; Y89-K104 HydrophobicContact CE2-CG 3.75Å; Y89-K104 HydrophobicContact CG-CD 4.44Å; Y89-K104 HydrophobicContact CG-CG 4.32Å; Y89-I107 HydrophobicContact CD1-CG1 4.43Å
90L98.2Very high94.1Very high0 Ų048.2 Ų48.20%028%0.276CS..EExtended strand (participates in β ladder)trans-96132.3171.5-57.4-179.3000111.4A29 V47 R48 L49 F73 V75 I92 K104 T105 M109 F118 I121A29-L90 HydrophobicContact CB-CD2 4.28Å; V47-L90 HydrophobicContact CG1-CD1 4.31Å; V47-L90 HydrophobicContact CG1-CD2 4.11Å; R48-L90 CarbonylContact O-C 3.57Å; R48-L90 VanDerWaalsContact O-CA 3.31Å; R48-L90 WeakPolarHBondContact O-CA 3.32Å; L49-L90 HydrophobicContact CB-CD2 4.43Å; L49-L90 HydrophobicContact CD1-CD2 4.08Å; F73-L90 HydrophobicContact CE2-CD1 3.66Å; F73-L90 HydrophobicContact CZ-CD1 3.63Å; V75-L90 HydrophobicContact CG1-CD2 3.7Å; L90-I92 HydrophobicContact CB-CD1 4.31Å; L90-I92 HydrophobicContact CB-CG1 4.13Å; L90-I92 HydrophobicContact CD1-CD1 4.45Å; L90-K104 WeakPolarHBondContact O-CA 3.39Å; L90-T105 HydrophobicContact CB-CG2 3.81Å; L90-T105 HydrophobicContact CD1-CG2 4.39Å; L90-T105 HydrophobicContact CG-CG2 4.36Å; L90-T105 PolarHBondContact N-OG1 3.42Å; L90-T105 PolarHBondContact O-N 3.01Å; L90-M109 HydrophobicContact CB-CE 4.43Å; L90-M109 HydrophobicContact CD1-CE 4.42Å; L90-M109 HydrophobicContact CD2-CE 3.61Å; L90-M109 HydrophobicContact CG-CE 3.47Å; L90-M109 VanDerWaalsContact CG-CE 3.47Å; L90-F118 HydrophobicContact CD1-CD2 3.94Å; L90-F118 HydrophobicContact CD1-CE2 3.81Å; L90-F118 HydrophobicContact CD1-CG 4.38Å; L90-F118 HydrophobicContact CD1-CZ 4.15Å; L90-F118 HydrophobicContact CG-CE2 4.24Å; L90-F118 HydrophobicContact CG-CZ 4.29Å; L90-I121 HydrophobicContact CD1-CD1 4.46Å
91K97.5Very high94.2Very high49 Ų4946.3 Ų46.321%0.21327%0.268CS..EExtended strand (participates in β ladder)trans-109.7109.8166.1-167.1171.1-169.1165.50109.3R48 M50 Y89 H102 L103R48-K91 HydrophobicContact CB-CB 4.35Å; R48-K91 PolarHBondContact N-O 3.29Å; R48-K91 PolarHBondContact O-N 3.47Å; M50-K91 HydrophobicContact CG-CB 3.81Å; Y89-K91 HydrophobicContact CE2-CB 3.98Å; K91-H102 WeakPolarHBondContact CE-CD2 3.46Å; K91-H102 HydrophobicContact CG-CB 4.14Å; K91-L103 WeakPolarHBondContact CA-O 3.42Å
92I98.1Very high94.3Very high0 Ų049.3 Ų49.30%028%0.281CS..EExtended strand (participates in β ladder)trans-110.3112.2-171.3-57.3169.2000108.8L33 V45 E46 V47 L90 H94 H102 L103 I121 L123L33-I92 HydrophobicContact CD1-CG2 3.96Å; L33-I92 HydrophobicContact CD2-CD1 3.93Å; L33-I92 HydrophobicContact CD2-CG2 4.22Å; V45-I92 HydrophobicContact CG1-CG2 3.65Å; E46-I92 CarbonylContact O-C 3.58Å; E46-I92 WeakPolarHBondContact O-CA 3.46Å; V47-I92 HydrophobicContact CG1-CG1 4.2Å; V47-I92 HydrophobicContact CG2-CG1 4.28Å; V47-I92 HydrophobicContact CG2-CG2 4.25Å; L90-I92 HydrophobicContact CB-CD1 4.31Å; L90-I92 HydrophobicContact CB-CG1 4.13Å; L90-I92 HydrophobicContact CD1-CD1 4.45Å; I92-H94 PolarHBondContact O-CD2 3.29Å; I92-H102 CarbonylContact O-C 3.3Å; I92-H102 WeakPolarHBondContact O-CA 3.38Å; I92-H102 WeakPolarHBondContact O-CB 3.28Å; I92-L103 HydrophobicContact CD1-CD2 4.3Å; I92-L103 PolarHBondContact N-O 2.99Å; I92-L103 PolarHBondContact O-N 3.28Å; I92-I121 HydrophobicContact CD1-CD1 3.72Å; I92-I121 HydrophobicContact CD1-CG2 4.22Å; I92-L123 HydrophobicContact CG2-CD2 4Å
93W97.7Very high94.6Very high61 Ų6146.3 Ų46.323%0.23127%0.265CS..EExtended strand (participates in β ladder)trans-97.7118.8-177.6-71.694.5000111.8V45 E46 Y100 R101 H102V45-W93 VanDerWaalsContact CG1-O 3.31Å; V45-W93 WeakPolarHBondContact CG1-O 3.19Å; E46-W93 HydrophobicContact CB-CB 4.32Å; E46-W93 PolarHBondContact O-N 3.01Å; W93-Y100 HydrophobicContact CB-CE2 4.21Å; W93-Y100 WeakPolarHBondContact CB-OH 3.33Å; W93-Y100 HydrophobicContact CD2-CE1 4.34Å; W93-Y100 HydrophobicContact CE3-CD1 4.11Å; W93-Y100 AromaticContact CE3-CE1 3.49Å; W93-Y100 HydrophobicContact CE3-CE1 3.49Å; W93-Y100 VanDerWaalsContact CE3-CE1 3.49Å; W93-Y100 AromaticContact CE3-CZ 3.86Å; W93-Y100 HydrophobicContact CZ3-CD1 4.36Å; W93-Y100 AromaticContact CZ3-CE1 3.96Å; W93-Y100 HydrophobicContact CZ3-CE1 3.96Å; W93-R101 WeakPolarHBondContact CA-O 3.45Å; W93-H102 HydrophobicContact CD2-CB 3.8Å; W93-H102 HydrophobicContact CE3-CB 3.95Å; W93-H102 HydrophobicContact CG-CB 4.19Å; W93-H102 AromaticContact CH2-CD2 3.6Å; W93-H102 AromaticContact CZ2-CD2 3.71Å; W93-H102 HydrophobicContact CZ3-CB 4.37Å; W93-H102 AromaticContact CZ3-CD2 3.93Å
94H96.5Very high95Very high5 Ų544.7 Ų44.72%0.02326%0.258CS..EExtended strand (participates in β ladder)trans-147.1164.9-171.565.888000113.4V45 I92 C96 Y100 R101 L123V45-H94 HydrophobicContact CG1-CB 3.81Å; V45-H94 HydrophobicContact CG2-CB 4.3Å; I92-H94 PolarHBondContact O-CD2 3.29Å; H94-C96 WeakPolarHBondContact ND1-CB 3.39Å; H94-C96 PolarHBondContact ND1-N 3.4Å; H94-Y100 WeakPolarHBondContact O-CA 3.41Å; H94-R101 VanDerWaalsContact CE1-CZ 3.43Å; H94-R101 PolarHBondContact CE1-NH2 3.09Å; H94-R101 PolarHBondContact N-O 3.47Å; H94-R101 PolarHBondContact O-N 2.99Å; H94-L123 HydrophobicContact CB-CD1 3.96Å; H94-L123 PolarHBondContact CE1-O 3.23Å
95A94.7Very high95.2Very high55 Ų5542.9 Ų42.946%0.45525%0.245SC..  trans-1107.1175.900000114G97 G98A95-G97 PolarHBondContact O-N 3.08Å; A95-G98 PolarHBondContact O-N 3.45Å
96C95.4Very high95.2Very high1 Ų145 Ų451%0.00726%0.261CS..THydrogen-bonded Turntrans-51.7129.9175.3-178.40000111.4C35 A41 H94 R101 L123C35-C96 VanDerWaalsContact CA-SG 3.55Å; C35-C96 HydrophobicContact CB-CB 3.73Å; C35-C96 WeakPolarHBondContact CB-SG 3.48Å; C35-C96 VanDerWaalsContact SG-CA 3.56Å; C35-C96 WeakPolarHBondContact SG-CB 3.25Å; C35-C96 CovalentContact SG-SG 2.02Å; C35-C96 PolarHBondContact SG-SG 3.3Å; A41-C96 HydrophobicContact CB-CB 4.31Å; H94-C96 WeakPolarHBondContact ND1-CB 3.39Å; H94-C96 PolarHBondContact ND1-N 3.4Å; C96-R101 PolarHBondContact O-NH1 3.33Å; C96-R101 PolarHBondContact O-NH2 3.14Å; C96-L123 HydrophobicContact CB-CB 3.65Å; C96-L123 HydrophobicContact CB-CD1 4.18Å
97G91.4Very high95Very high56 Ų5648.1 Ų48.158%0.57728%0.277SS*.THydrogen-bonded Turntrans843.8-174.600000115.3A95A95-G97 PolarHBondContact O-N 3.08Å
98G89.2Confident94.6Very high78 Ų7852.4 Ų52.480%0.80430%0.295SS*.SBendtrans95.2-7.8166.900000116.2A95A95-G98 PolarHBondContact O-N 3.45Å
99S90.4Very high94.5Very high66 Ų6653 Ų5346%0.46230%0.297SS..SBendtrans-120141.1172.361.20000111.1R101S99-R101 PolarHBondContact O-N 3.21Å; S99-R101 PolarHBondContact O-NH1 3.42Å; S99-R101 PolarHBondContact OG-NH1 3.11Å
100Y94.5Very high94.5Very high148 Ų14857 Ų5758%0.5832%0.318SS*.  trans-76.2120.2174.5-169-112.3000109.8W93 H94W93-Y100 HydrophobicContact CB-CE2 4.21Å; W93-Y100 WeakPolarHBondContact CB-OH 3.33Å; W93-Y100 HydrophobicContact CD2-CE1 4.34Å; W93-Y100 HydrophobicContact CE3-CD1 4.11Å; W93-Y100 AromaticContact CE3-CE1 3.49Å; W93-Y100 HydrophobicContact CE3-CE1 3.49Å; W93-Y100 VanDerWaalsContact CE3-CE1 3.49Å; W93-Y100 AromaticContact CE3-CZ 3.86Å; W93-Y100 HydrophobicContact CZ3-CD1 4.36Å; W93-Y100 AromaticContact CZ3-CE1 3.96Å; W93-Y100 HydrophobicContact CZ3-CE1 3.96Å; H94-Y100 WeakPolarHBondContact O-CA 3.41Å
101R94.4Very high94.4Very high68 Ų6859.6 Ų59.626%0.25733%0.329SS..EExtended strand (participates in β ladder)trans-151.2178.6-177.867.8178.1177.2-74.7-0110.4W93 H94 C96 S99 L123W93-R101 WeakPolarHBondContact CA-O 3.45Å; H94-R101 VanDerWaalsContact CE1-CZ 3.43Å; H94-R101 PolarHBondContact CE1-NH2 3.09Å; H94-R101 PolarHBondContact N-O 3.47Å; H94-R101 PolarHBondContact O-N 2.99Å; C96-R101 PolarHBondContact O-NH1 3.33Å; C96-R101 PolarHBondContact O-NH2 3.14Å; S99-R101 PolarHBondContact O-N 3.21Å; S99-R101 PolarHBondContact O-NH1 3.42Å; S99-R101 PolarHBondContact OG-NH1 3.11Å; R101-L123 PolarHBondContact NH2-O 3.28Å
102H94.9Very high94.5Very high85 Ų8560.6 Ų60.639%0.39434%0.335SS..EExtended strand (participates in β ladder)trans-122.8151.9170.867.663.6000113.5K91 I92 W93K91-H102 WeakPolarHBondContact CE-CD2 3.46Å; K91-H102 HydrophobicContact CG-CB 4.14Å; I92-H102 CarbonylContact O-C 3.3Å; I92-H102 WeakPolarHBondContact O-CA 3.38Å; I92-H102 WeakPolarHBondContact O-CB 3.28Å; W93-H102 HydrophobicContact CD2-CB 3.8Å; W93-H102 HydrophobicContact CE3-CB 3.95Å; W93-H102 HydrophobicContact CG-CB 4.19Å; W93-H102 AromaticContact CH2-CD2 3.6Å; W93-H102 AromaticContact CZ2-CD2 3.71Å; W93-H102 HydrophobicContact CZ3-CB 4.37Å; W93-H102 AromaticContact CZ3-CD2 3.93Å
103L94.9Very high94.4Very high9 Ų966.6 Ų66.65%0.04737%0.374CS..EExtended strand (participates in β ladder)trans-102.5136.9163.1-178.1153.3000108.8K91 I92 T105 I121 N128K91-L103 WeakPolarHBondContact CA-O 3.42Å; I92-L103 HydrophobicContact CD1-CD2 4.3Å; I92-L103 PolarHBondContact N-O 2.99Å; I92-L103 PolarHBondContact O-N 3.28Å; L103-T105 HydrophobicContact CD2-CG2 3.83Å; L103-I121 HydrophobicContact CD1-CG2 4.12Å; L103-I121 HydrophobicContact CD2-CG2 4.45Å; L103-N128 HydrophobicContact CD1-CB 3.75Å; L103-N128 HydrophobicContact CG-CB 4.11Å
104K95.1Very high94.4Very high82 Ų8269.1 Ų69.136%0.35739%0.388SS..EExtended strand (participates in β ladder)trans-107.5124.6169.6172.1161.5-178.4170.60108.5D52 D59 Y89 L90D52-K104 IonicContact OD2-NZ 2.83Å; D52-K104 PolarHBondContact OD2-NZ 2.8Å; D59-K104 IonicContact OD2-NZ 3.96Å; Y89-K104 HydrophobicContact CD2-CB 4.49Å; Y89-K104 HydrophobicContact CD2-CD 3.87Å; Y89-K104 HydrophobicContact CD2-CG 3.58Å; Y89-K104 HydrophobicContact CE2-CB 4.47Å; Y89-K104 HydrophobicContact CE2-CD 3.65Å; Y89-K104 HydrophobicContact CE2-CG 3.75Å; Y89-K104 HydrophobicContact CG-CD 4.44Å; Y89-K104 HydrophobicContact CG-CG 4.32Å; L90-K104 WeakPolarHBondContact O-CA 3.39Å
105T95.3Very high94.5Very high9 Ų973.2 Ų73.26%0.05541%0.41CS..  trans-78.6161.5173.764.40000111.1L90 L103 F118L90-T105 HydrophobicContact CB-CG2 3.81Å; L90-T105 HydrophobicContact CD1-CG2 4.39Å; L90-T105 HydrophobicContact CG-CG2 4.36Å; L90-T105 PolarHBondContact N-OG1 3.42Å; L90-T105 PolarHBondContact O-N 3.01Å; L103-T105 HydrophobicContact CD2-CG2 3.83Å; T105-F118 HydrophobicContact CG2-CD1 4.14Å; T105-F118 HydrophobicContact CG2-CE1 3.71Å; T105-F118 HydrophobicContact CG2-CZ 4.4Å
106P94Very high94.7Very high86 Ų8671.4 Ų71.456%0.55839%0.392SS*.  trans-58.2147.8168.5-24.335.1000112.9Q108P106-Q108 HydrophobicContact CB-CG 4.22Å; P106-Q108 PolarHBondContact O-N 3.45Å; P106-Q108 VanDerWaalsContact O-N 3.16Å
107I90.4Very high94.8Very high68 Ų6876.9 Ų76.935%0.34942%0.421SS..SBendtrans-82.883.2176.1-54.5162.4000108.4D52 D87 Y89D52-I107 HydrophobicContact CB-CD1 3.78Å; D52-I107 HydrophobicContact CB-CG1 4.44Å; D52-I107 WeakPolarHBondContact OD2-CD1 3.41Å; D87-I107 HydrophobicContact CB-CG2 3.8Å; Y89-I107 HydrophobicContact CD1-CG1 4.43Å
108Q88.3Confident95.1Very high166 Ų16677 Ų7778%0.77641%0.406SS*.  trans-146.519.3-175.1-63.1-175.5-3.900113P106P106-Q108 HydrophobicContact CB-CG 4.22Å; P106-Q108 PolarHBondContact O-N 3.45Å; P106-Q108 VanDerWaalsContact O-N 3.16Å
109M96.2Very high95.5Very high17 Ų1774.8 Ų74.88%0.08438%0.383CS..PPolyproline II helixtrans-74.1146.6-177.5-56.5-174-171.100112V27 A29 L49 P88 L90 N116 F118V27-M109 HydrophobicContact CB-SD 4.44Å; V27-M109 HydrophobicContact CG1-CB 4.27Å; V27-M109 HydrophobicContact CG2-SD 4.07Å; A29-M109 HydrophobicContact CB-CE 4.38Å; A29-M109 HydrophobicContact CB-SD 4.27Å; L49-M109 HydrophobicContact CD1-CE 3.93Å; L49-M109 HydrophobicContact CD1-SD 3.8Å; P88-M109 HydrophobicContact CB-CB 4.21Å; P88-M109 HydrophobicContact CB-CG 4.37Å; P88-M109 HydrophobicContact CB-SD 3.96Å; P88-M109 HydrophobicContact CG-CB 3.75Å; P88-M109 HydrophobicContact CG-CG 4.36Å; L90-M109 HydrophobicContact CB-CE 4.43Å; L90-M109 HydrophobicContact CD1-CE 4.42Å; L90-M109 HydrophobicContact CD2-CE 3.61Å; L90-M109 HydrophobicContact CG-CE 3.47Å; L90-M109 VanDerWaalsContact CG-CE 3.47Å; M109-N116 WeakPolarHBondContact CA-OD1 3.22Å; M109-N116 WeakPolarHBondContact CB-OD1 3.41Å; M109-N116 HydrophobicContact CG-CB 4.48Å; M109-F118 HydrophobicContact CE-CE2 3.73Å; M109-F118 HydrophobicContact CE-CZ 3.54Å; M109-F118 HydrophobicContact CG-CZ 4.24Å; M109-F118 HydrophobicContact SD-CE2 4.47Å
110I96.3Very high95.8Very high87 Ų8777 Ų7745%0.44639%0.39SS..PPolyproline II helixtrans-92.1140.3171.254177.9000110.5H114 N116I110-H114 HydrophobicContact CB-CB 4.36Å; I110-H114 HydrophobicContact CD1-CB 3.38Å; I110-H114 HydrophobicContact CG1-CB 3.7Å; I110-N116 VanDerWaalsContact CG1-OD1 3.26Å; I110-N116 WeakPolarHBondContact CG1-OD1 3.41Å; I110-N116 PolarHBondContact N-OD1 3.49Å; I110-N116 PolarHBondContact O-ND2 3.25Å
111F97.9Very high95.9Very high56 Ų5670.6 Ų70.625%0.24637%0.366CS..PPolyproline II helixtrans-71.2159.8-179.9-58.7-63.1000113R25 C26 V27 D85 P86 P88 H114R25-F111 HydrophobicContact CB-CD1 3.4Å; R25-F111 VanDerWaalsContact CB-CD1 3.4Å; R25-F111 HydrophobicContact CB-CD2 4.47Å; R25-F111 HydrophobicContact CB-CE1 3.5Å; R25-F111 VanDerWaalsContact CB-CE1 3.5Å; R25-F111 HydrophobicContact CB-CG 3.93Å; R25-F111 HydrophobicContact CB-CZ 4.09Å; R25-F111 HydrophobicContact CG-CD1 4.12Å; R25-F111 HydrophobicContact CG-CD2 4.33Å; R25-F111 HydrophobicContact CG-CE1 4.07Å; R25-F111 HydrophobicContact CG-CE2 4.29Å; R25-F111 HydrophobicContact CG-CG 4.24Å; R25-F111 HydrophobicContact CG-CZ 4.16Å; C26-F111 WeakPolarHBondContact O-CA 3.26Å; V27-F111 HydrophobicContact CG1-CD1 3.59Å; V27-F111 HydrophobicContact CG1-CE1 4.11Å; D85-F111 HydrophobicContact CB-CE2 3.97Å; D85-F111 HydrophobicContact CB-CZ 3.83Å; P86-F111 HydrophobicContact CB-CE1 4.42Å; P86-F111 VanDerWaalsContact O-CZ 3.28Å; P86-F111 WeakPolarHBondContact O-CZ 3.36Å; P88-F111 HydrophobicContact CG-CE1 4.22Å; F111-H114 WeakPolarHBondContact O-CB 3.34Å; F111-H114 PolarHBondContact O-CD2 3.33Å; F111-H114 VanDerWaalsContact O-CD2 3.29Å; F111-H114 PolarHBondContact O-N 2.95Å
112Q98.2Very high96Very high70 Ų7069.2 Ų69.233%0.32736%0.363SS..THydrogen-bonded Turntrans-56.6147.9173.1-76-169.7-48.600112C26 K28 E76 H114C26-Q112 HydrophobicContact CB-CG 4.36Å; C26-Q112 PolarHBondContact O-N 2.91Å; K28-Q112 HydrophobicContact CB-CG 4.34Å; E76-Q112 VanDerWaalsContact CD-NE2 3.3Å; E76-Q112 PolarHBondContact OE1-NE2 3.29Å; Q112-H114 VanDerWaalsContact C-N 3.33Å; Q112-H114 VanDerWaalsContact CA-N 3.34Å
113P97.5Very high96.1Very high126 Ų12665.3 Ų65.382%0.81835%0.345SS*.THydrogen-bonded Turncis-83.36.51335.3-37.9000115.2
114H97.8Very high95.8Very high114 Ų11466.8 Ų66.853%0.52835%0.353SS..SBendtrans-70.5150.4179.6-55.2-75.3000112.6I110 F111 Q112I110-H114 HydrophobicContact CB-CB 4.36Å; I110-H114 HydrophobicContact CD1-CB 3.38Å; I110-H114 HydrophobicContact CG1-CB 3.7Å; F111-H114 WeakPolarHBondContact O-CB 3.34Å; F111-H114 PolarHBondContact O-CD2 3.33Å; F111-H114 VanDerWaalsContact O-CD2 3.29Å; F111-H114 PolarHBondContact O-N 2.95Å; Q112-H114 VanDerWaalsContact C-N 3.33Å; Q112-H114 VanDerWaalsContact CA-N 3.34Å
115L98.1Very high95.3Very high91 Ų9165.8 Ų65.848%0.47635%0.352SS..EExtended strand (participates in β ladder)trans-104130.5174.9177.665.6000109.3K28 T30K28-L115 HydrophobicContact CB-CD1 4.18Å; K28-L115 HydrophobicContact CD-CD1 4.04Å; K28-L115 HydrophobicContact CG-CD1 3.74Å; T30-L115 HydrophobicContact CG2-CD1 4.07Å; T30-L115 HydrophobicContact CG2-CD2 4.02Å; T30-L115 HydrophobicContact CG2-CG 4.17Å
116N98.4Very high93.9Very high16 Ų1672.2 Ų72.29%0.08639%0.386CS..EExtended strand (participates in β ladder)trans-91.5108.4172.4-61.6-88.2000108.9K28 A29 T30 M109 I110 F118K28-N116 WeakPolarHBondContact O-CB 3.48Å; K28-N116 PolarHBondContact O-N 2.91Å; K28-N116 PolarHBondContact O-ND2 3.43Å; A29-N116 CarbonylContact C-O 3.57Å; A29-N116 VanDerWaalsContact CA-O 3.24Å; A29-N116 WeakPolarHBondContact CA-O 3.49Å; A29-N116 HydrophobicContact CB-CB 4.1Å; T30-N116 PolarHBondContact N-O 2.78Å; M109-N116 WeakPolarHBondContact CA-OD1 3.22Å; M109-N116 WeakPolarHBondContact CB-OD1 3.41Å; M109-N116 HydrophobicContact CG-CB 4.48Å; I110-N116 VanDerWaalsContact CG1-OD1 3.26Å; I110-N116 WeakPolarHBondContact CG1-OD1 3.41Å; I110-N116 PolarHBondContact N-OD1 3.49Å; I110-N116 PolarHBondContact O-ND2 3.25Å; N116-F118 HydrophobicContact CB-CE2 4.16Å
117D97.9Very high92.4Very high116 Ų11673.1 Ų73.162%0.6239%0.39SS*.EExtended strand (participates in β ladder)trans-101.3112.7175.9-172.9-2.5000110.1T30 G119T30-D117 HydrophobicContact CG2-CB 4.08Å; D117-G119 VanDerWaalsContact C-N 3.29Å; D117-G119 WeakPolarHBondContact OD1-CA 3.31Å; D117-G119 PolarHBondContact OD1-N 3.4Å
118F97.4Very high90.4Very high59 Ų5973.9 Ų73.926%0.25940%0.395SS..EExtended strand (participates in β ladder)trans-82.5-6.3177.2-76.1-95.1000112.9A29 T30 L90 T105 M109 N116 N120 I121A29-F118 HydrophobicContact CB-CD2 4.37Å; A29-F118 HydrophobicContact CB-CE2 3.99Å; T30-F118 PolarHBondContact O-N 3.32Å; L90-F118 HydrophobicContact CD1-CD2 3.94Å; L90-F118 HydrophobicContact CD1-CE2 3.81Å; L90-F118 HydrophobicContact CD1-CG 4.38Å; L90-F118 HydrophobicContact CD1-CZ 4.15Å; L90-F118 HydrophobicContact CG-CE2 4.24Å; L90-F118 HydrophobicContact CG-CZ 4.29Å; T105-F118 HydrophobicContact CG2-CD1 4.14Å; T105-F118 HydrophobicContact CG2-CE1 3.71Å; T105-F118 HydrophobicContact CG2-CZ 4.4Å; M109-F118 HydrophobicContact CE-CE2 3.73Å; M109-F118 HydrophobicContact CE-CZ 3.54Å; M109-F118 HydrophobicContact CG-CZ 4.24Å; M109-F118 HydrophobicContact SD-CE2 4.47Å; N116-F118 HydrophobicContact CB-CE2 4.16Å; F118-N120 PolarHBondContact O-N 3.34Å; F118-I121 HydrophobicContact CB-CD1 3.77Å; F118-I121 HydrophobicContact CB-CG1 3.92Å; F118-I121 HydrophobicContact CD1-CD1 4.21Å; F118-I121 HydrophobicContact CG-CD1 4.09Å
119G97.3Very high88.1Confident32 Ų3272.7 Ų72.733%0.3343%0.427SS..EExtended strand (participates in β ladder)trans56.8-127.3-173.200000111G31 K32 D117G31-G119 CarbonylContact C-O 3.58Å; G31-G119 WeakPolarHBondContact CA-O 3.46Å; K32-G119 PolarHBondContact N-O 2.88Å; D117-G119 VanDerWaalsContact C-N 3.29Å; D117-G119 WeakPolarHBondContact OD1-CA 3.31Å; D117-G119 PolarHBondContact OD1-N 3.4Å
120N97.2Very high87.7Confident111 Ų11175.5 Ų75.559%0.59444%0.444SS*.EExtended strand (participates in β ladder)trans-91.4125.2177-66.8-38.8000111.2K32 I34 F118K32-N120 CarbonylContact O-C 3.53Å; K32-N120 WeakPolarHBondContact O-CA 3.42Å; I34-N120 HydrophobicContact CG1-CB 4.16Å; F118-N120 PolarHBondContact O-N 3.34Å
121I96.7Very high87.2Confident14 Ų1474.8 Ų74.87%0.07244%0.444CS..EExtended strand (participates in β ladder)trans-104.1115.6171.1-56.8179000108.4K32 L33 I34 F73 L90 I92 L103 F118 L123K32-I121 PolarHBondContact O-N 2.88Å; L33-I121 HydrophobicContact CD2-CB 3.97Å; L33-I121 HydrophobicContact CD2-CD1 4.16Å; L33-I121 HydrophobicContact CD2-CG2 4.34Å; I34-I121 PolarHBondContact N-O 2.87Å; F73-I121 HydrophobicContact CE1-CD1 4.06Å; F73-I121 HydrophobicContact CZ-CD1 3.94Å; L90-I121 HydrophobicContact CD1-CD1 4.46Å; I92-I121 HydrophobicContact CD1-CD1 3.72Å; I92-I121 HydrophobicContact CD1-CG2 4.22Å; L103-I121 HydrophobicContact CD1-CG2 4.12Å; L103-I121 HydrophobicContact CD2-CG2 4.45Å; F118-I121 HydrophobicContact CB-CD1 3.77Å; F118-I121 HydrophobicContact CB-CG1 3.92Å; F118-I121 HydrophobicContact CD1-CD1 4.21Å; F118-I121 HydrophobicContact CG-CD1 4.09Å; I121-L123 PolarHBondContact O-N 2.9Å
122L96.3Very high86.6Confident39 Ų3975.9 Ų75.920%0.20446%0.455CS..EExtended strand (participates in β ladder)trans-81.6115.1176.3-58.9-179.7000109.9I34 R36 D124 D125I34-L122 HydrophobicContact CB-CD2 3.91Å; I34-L122 HydrophobicContact CG2-CD2 3.91Å; I34-L122 WeakPolarHBondContact O-CA 3.32Å; R36-L122 VanDerWaalsContact NH2-CD1 3.31Å; L122-D124 VanDerWaalsContact C-N 3.35Å; L122-D125 HydrophobicContact CB-CB 3.9Å
123L95.8Very high86Confident3 Ų376.2 Ų76.22%0.01646%0.462CS..THydrogen-bonded Turntrans-78.8-18.3-179.2-62.6-177.6000113.4L33 I34 I92 H94 C96 R101 I121L33-L123 HydrophobicContact CB-CD1 4.09Å; L33-L123 HydrophobicContact CB-CG 4.31Å; L33-L123 HydrophobicContact CD2-CD2 4.24Å; I34-L123 PolarHBondContact O-N 3.42Å; I92-L123 HydrophobicContact CG2-CD2 4Å; H94-L123 HydrophobicContact CB-CD1 3.96Å; H94-L123 PolarHBondContact CE1-O 3.23Å; C96-L123 HydrophobicContact CB-CB 3.65Å; C96-L123 HydrophobicContact CB-CD1 4.18Å; R101-L123 PolarHBondContact NH2-O 3.28Å; I121-L123 PolarHBondContact O-N 2.9Å
124D90.5Very high85.2Confident40 Ų4073.1 Ų73.121%0.21444%0.44CS..THydrogen-bonded Turntrans-98.62.9178.6517.3000113.9R36 S37 L122 N126R36-D124 VanDerWaalsContact CA-OD2 3.32Å; R36-D124 WeakPolarHBondContact CA-OD2 3.35Å; R36-D124 WeakPolarHBondContact CB-OD2 3.39Å; R36-D124 WeakPolarHBondContact CG-OD2 3.31Å; R36-D124 PolarHBondContact N-OD2 3.12Å; S37-D124 PolarHBondContact N-OD2 2.74Å; L122-D124 VanDerWaalsContact C-N 3.35Å; D124-N126 PolarHBondContact O-N 3.41Å
125D83Confident84.4Confident62 Ų6270.4 Ų70.433%0.33243%0.434SS..  trans-80.1113.2175.1-161.8-17.1000110.3L122 T127L122-D125 HydrophobicContact CB-CB 3.9Å; D125-T127 PolarHBondContact O-N 3.26Å; D125-T127 WeakPolarHBondContact OD1-CB 3.33Å; D125-T127 WeakPolarHBondContact OD1-CG2 3.2Å; D125-T127 PolarHBondContact OD1-N 2.9Å; D125-T127 VanDerWaalsContact OD1-N 3.09Å; D125-T127 PolarHBondContact OD1-OG1 2.86Å; D125-T127 PolarHBondContact OD2-OG1 3.4Å
126N67.3Low83.4Confident143 Ų14368.9 Ų68.977%0.76543%0.431SS*.THydrogen-bonded Turntrans-74.72.2179-68.5-23.1000113.1D124D124-N126 PolarHBondContact O-N 3.41Å
127T62.5Low82.3Confident106 Ų10673 Ų7365%0.6546%0.458SS*.THydrogen-bonded Turntrans-84.1-10.3179.558.40000114.2D125D125-T127 PolarHBondContact O-N 3.26Å; D125-T127 WeakPolarHBondContact OD1-CB 3.33Å; D125-T127 WeakPolarHBondContact OD1-CG2 3.2Å; D125-T127 PolarHBondContact OD1-N 2.9Å; D125-T127 VanDerWaalsContact OD1-N 3.09Å; D125-T127 PolarHBondContact OD1-OG1 2.86Å; D125-T127 PolarHBondContact OD2-OG1 3.4Å
128N46.9Very low81Confident83 Ų8369.4 Ų69.444%0.44444%0.444SS..  trans-104.546.2-178.7-65.3-38000112.8L103L103-N128 HydrophobicContact CD1-CB 3.75Å; L103-N128 HydrophobicContact CG-CB 4.11Å
129G40.6Very low79.5Confident141 Ų14170.4 Ų70.4100%1.45446%0.461SS*.  trans-117.70173.700000111.6

Retrieved 129 of 129 residues in 68.8 ms (Link to these results)

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