X5J5Q7_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5Q7, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 106 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
1P60.7Low86.6Confident134 Ų13477.1 Ų77.187%0.8747%0.466SS*.  0113.40-0.721.4000109.3T101P1-T101 VanDerWaalsContact CA-O 3.25Å; P1-T101 WeakPolarHBondContact CA-O 3.25Å; P1-T101 HydrophobicContact CB-CG2 4.38Å
2D76.1Confident87.4Confident78 Ų7871.2 Ų71.242%0.41743%0.43SS..EExtended strand (participates in β ladder)trans-87.2117.2176.3-68.2-30.8000108.6I10 T101 L102 T103D2-I10 HydrophobicContact CB-CD1 3.92Å; D2-T101 PolarHBondContact N-O 3.25Å; D2-L102 HydrophobicContact CB-CD1 4.23Å; D2-T103 PolarHBondContact O-N 3.35Å
3L84.1Confident88Confident130 Ų13071.3 Ų71.368%0.68144%0.436SS*.EExtended strand (participates in β ladder)trans-89.3121.2173.1-177.566.2000108.6T103L3-T103 WeakPolarHBondContact CA-O 3.37Å; L3-T103 HydrophobicContact CD1-CG2 3.93Å
4V88.1Confident88.5Confident22 Ų2267.6 Ų67.613%0.13342%0.415CS..EExtended strand (participates in β ladder)trans-127.9147.9-176.8-63.70000111.3I10 L78 L102 T103 V104 S105V4-I10 HydrophobicContact CG1-CD1 4.06Å; V4-L78 HydrophobicContact CB-CD1 4.35Å; V4-L78 HydrophobicContact CG2-CD1 3.67Å; V4-L102 HydrophobicContact CG1-CD1 4.01Å; V4-L102 HydrophobicContact CG2-CD1 3.72Å; V4-L102 HydrophobicContact CG2-CG 4.34Å; V4-T103 PolarHBondContact N-O 2.9Å; V4-V104 HydrophobicContact CG2-CB 4.2Å; V4-V104 HydrophobicContact CG2-CG1 4.32Å; V4-V104 HydrophobicContact CG2-CG2 3.72Å; V4-V104 WeakPolarHBondContact O-CA 3.4Å; V4-S105 PolarHBondContact O-N 2.64Å
5N88.4Confident88.9Confident117 Ų11769.4 Ų69.463%0.62643%0.425SS*.  trans-76.4149.5176.2-63-44.9000110.8A8N5-A8 WeakPolarHBondContact O-CB 3.38Å; N5-A8 PolarHBondContact O-N 3.38Å
6P89.8Confident89.1Confident68 Ų6865.8 Ų65.844%0.44241%0.405SS..THydrogen-bonded Turntrans-50.6142.8167.4-29.435.7000112.5A8 L78 V104 S105P6-A8 PolarHBondContact O-N 3.17Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.44Å; P6-V104 HydrophobicContact CG-CG1 4.3Å; P6-S105 WeakPolarHBondContact CD-O 2.92Å; P6-S105 WeakPolarHBondContact CD-OG 3.39Å; P6-S105 WeakPolarHBondContact CG-O 3.29Å
7G89.4Confident89.2Confident54 Ų5468.2 Ų68.256%0.55743%0.425SS*.THydrogen-bonded Turntrans75.7-9.6-179.100000114.6L78G7-L78 PolarHBondContact N-O 2.82Å
8A92.1Very high89.3Confident34 Ų3469.4 Ų69.428%0.28145%0.452SS..  trans-67.4166173.400000111.5N5 P6 S77 L78N5-A8 WeakPolarHBondContact O-CB 3.38Å; N5-A8 PolarHBondContact O-N 3.38Å; P6-A8 PolarHBondContact O-N 3.17Å; A8-S77 PolarHBondContact O-N 3.22Å; A8-L78 WeakPolarHBondContact O-CB 2.98Å; A8-L78 WeakPolarHBondContact O-CG 3.33Å; A8-L78 PolarHBondContact O-N 2.96Å
9S93.9Very high89.3Confident70 Ų7069.7 Ų69.749%0.4945%0.446SS..  trans-118143.9170.2-57.10000109.5L75 S76S9-L75 CarbonylContact C-O 3.54Å; S9-L75 WeakPolarHBondContact CA-O 3Å; S9-L75 WeakPolarHBondContact CB-O 3.49Å; S9-S76 WeakPolarHBondContact OG-CA 3.29Å
10I94.3Very high89.4Confident24 Ų2469.7 Ų69.712%0.12344%0.442CS..EExtended strand (participates in β ladder)trans-127.2151.4175.5-162.7171.5000110.3D2 V4 L12 Q74 L75 L78 L102D2-I10 HydrophobicContact CB-CD1 3.92Å; V4-I10 HydrophobicContact CG1-CD1 4.06Å; I10-L12 HydrophobicContact CD1-CD2 4.12Å; I10-L12 HydrophobicContact CG1-CD2 4.41Å; I10-Q74 CarbonylContact O-C 3.55Å; I10-Q74 VanDerWaalsContact O-CA 3.28Å; I10-Q74 WeakPolarHBondContact O-CA 3.45Å; I10-L75 HydrophobicContact CG2-CB 4.27Å; I10-L75 HydrophobicContact CG2-CD1 4.5Å; I10-L75 PolarHBondContact N-O 2.97Å; I10-L75 PolarHBondContact O-N 2.79Å; I10-L78 HydrophobicContact CB-CD1 4.15Å; I10-L78 HydrophobicContact CG2-CD1 3.85Å; I10-L102 HydrophobicContact CD1-CD1 3.63Å; I10-L102 HydrophobicContact CG2-CD1 4.24Å; I10-L102 HydrophobicContact CG2-CD2 4.07Å
11K95.7Very high89.6Confident117 Ų11766.4 Ų66.451%0.50942%0.421SS..EExtended strand (participates in β ladder)trans-119.5113.4172.7-173.6179-179.8-1760109.4Y72K11-Y72 HydrophobicContact CD-CD1 4.38Å; K11-Y72 VanDerWaalsContact CE-CB 3.46Å; K11-Y72 HydrophobicContact CG-CD1 4.39Å
12L95.8Very high91.2Very high6 Ų664.5 Ų64.53%0.03140%0.399CS..EExtended strand (participates in β ladder)trans-89.2147.4173.5-55.1179.8000109.7I10 W28 Y72 L73 Y86 T100I10-L12 HydrophobicContact CD1-CD2 4.12Å; I10-L12 HydrophobicContact CG1-CD2 4.41Å; L12-W28 HydrophobicContact CB-CH2 4.12Å; L12-W28 HydrophobicContact CB-CZ3 4.15Å; L12-Y72 CarbonylContact O-C 3.53Å; L12-Y72 WeakPolarHBondContact O-CA 3.48Å; L12-L73 HydrophobicContact CB-CB 4.43Å; L12-L73 HydrophobicContact CD1-CD2 4.29Å; L12-L73 PolarHBondContact N-O 3.2Å; L12-L73 PolarHBondContact O-N 2.78Å; L12-Y86 VanDerWaalsContact CD1-CB 3.5Å; L12-Y86 HydrophobicContact CD1-CD1 4.2Å; L12-Y86 HydrophobicContact CD1-CD2 4.18Å; L12-Y86 HydrophobicContact CD1-CG 3.7Å; L12-T100 HydrophobicContact CD2-CG2 3.93Å
13S95.8Very high92Very high73 Ų7367 Ų6751%0.5141%0.413SS..EExtended strand (participates in β ladder)trans-120.8149.5176.558.10000111.5A71S13-A71 CarbonylContact C-O 3.52Å; S13-A71 WeakPolarHBondContact CA-O 3.31Å
14C94.8Very high92.4Very high20 Ų2061.8 Ų61.814%0.13539%0.387CS..EExtended strand (participates in β ladder)trans-138.8103.8175.5176.50000109W28 T70 A71 C88C14-W28 HydrophobicContact CB-CH2 3.69Å; C14-W28 HydrophobicContact CB-CZ2 3.77Å; C14-T70 CarbonylContact O-C 3.59Å; C14-T70 WeakPolarHBondContact O-CA 3.25Å; C14-A71 HydrophobicContact CB-CB 4.5Å; C14-A71 PolarHBondContact N-O 2.79Å; C14-A71 PolarHBondContact O-N 2.88Å; C14-C88 HydrophobicContact CB-CB 3.48Å; C14-C88 VanDerWaalsContact CB-CB 3.48Å; C14-C88 WeakPolarHBondContact CB-SG 3.41Å; C14-C88 WeakPolarHBondContact SG-CB 3.36Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.79Å
15T95.3Very high92.8Very high94 Ų9464.9 Ų64.958%0.57740%0.396SS*.EExtended strand (participates in β ladder)trans-92.1121.4179.8-56.80000109.7T70T15-T70 PolarHBondContact OG1-OG1 3.32Å
16A91.8Very high93.1Very high11 Ų1159.4 Ų59.49%0.09137%0.367CS..  trans-73.3136.7175.600000110.3F19 I21 N69A16-F19 HydrophobicContact CB-CD1 4.38Å; A16-F19 HydrophobicContact CB-CD2 4.13Å; A16-F19 HydrophobicContact CB-CE1 3.82Å; A16-F19 HydrophobicContact CB-CE2 3.52Å; A16-F19 HydrophobicContact CB-CZ 3.35Å; A16-I21 HydrophobicContact CB-CB 4.16Å; A16-I21 HydrophobicContact CB-CD1 4.41Å; A16-I21 HydrophobicContact CB-CG1 4.22Å; A16-N69 WeakPolarHBondContact CB-ND2 3.44Å; A16-N69 PolarHBondContact N-O 2.81Å; A16-N69 PolarHBondContact O-ND2 3.1Å
17S91.1Very high93.4Very high108 Ų10856.9 Ų56.976%0.75535%0.35SS*.  trans-129.7134.6176.9-175.80000109.1F19S17-F19 VanDerWaalsContact C-N 3.29Å; S17-F19 WeakPolarHBondContact O-CD1 3.48Å; S17-F19 PolarHBondContact O-N 3Å
18G89.5Confident93.8Very high89 Ų8954.5 Ų54.592%0.91832%0.324SS*.SBendtrans81.6-2.3-178.700000115.5
19F89.5Confident94Very high75 Ų7553.2 Ų53.233%0.32931%0.312SS..SBendtrans-149.6160.9173.466.4-84.3000111.1A16 S17 T24 I26 N69 P90A16-F19 HydrophobicContact CB-CD1 4.38Å; A16-F19 HydrophobicContact CB-CD2 4.13Å; A16-F19 HydrophobicContact CB-CE1 3.82Å; A16-F19 HydrophobicContact CB-CE2 3.52Å; A16-F19 HydrophobicContact CB-CZ 3.35Å; S17-F19 VanDerWaalsContact C-N 3.29Å; S17-F19 WeakPolarHBondContact O-CD1 3.48Å; S17-F19 PolarHBondContact O-N 3Å; F19-T24 HydrophobicContact CD2-CG2 4.03Å; F19-T24 HydrophobicContact CE2-CG2 3.67Å; F19-I26 HydrophobicContact CE2-CD1 4.27Å; F19-N69 PolarHBondContact O-ND2 2.7Å; F19-P90 HydrophobicContact CE1-CG 4.2Å; F19-P90 HydrophobicContact CE2-CB 4.06Å; F19-P90 HydrophobicContact CE2-CG 4.48Å; F19-P90 HydrophobicContact CZ-CB 3.84Å; F19-P90 HydrophobicContact CZ-CG 3.8Å
20N92.6Very high94.1Very high69 Ų6950 Ų5037%0.36929%0.289SS..  trans-87125.1173.6178.2-0.2000109.7K22 D23N20-K22 PolarHBondContact O-N 3.45Å; N20-K22 VanDerWaalsContact O-N 3.15Å; N20-K22 PolarHBondContact OD1-N 3.21Å; N20-K22 VanDerWaalsContact OD1-N 3.08Å; N20-D23 WeakPolarHBondContact CB-OD2 3.34Å; N20-D23 PolarHBondContact O-N 2.99Å
21I93.7Very high94.1Very high1 Ų152.2 Ų52.21%0.00530%0.299CS..G310 helixtrans-62.7-22.9-176-152.4174.5000112.4A16 D23 I26 P45 T66 N69 A71A16-I21 HydrophobicContact CB-CB 4.16Å; A16-I21 HydrophobicContact CB-CD1 4.41Å; A16-I21 HydrophobicContact CB-CG1 4.22Å; I21-D23 VanDerWaalsContact C-N 3.25Å; I21-D23 PolarHBondContact O-N 2.75Å; I21-I26 HydrophobicContact CD1-CD1 4.38Å; I21-I26 HydrophobicContact CD1-CG1 3.94Å; I21-I26 HydrophobicContact CG1-CD1 3.77Å; I21-I26 HydrophobicContact CG1-CG1 3.57Å; I21-P45 HydrophobicContact CG1-CG 4.19Å; I21-P45 HydrophobicContact CG2-CB 4.29Å; I21-P45 VanDerWaalsContact O-CG 3.27Å; I21-P45 WeakPolarHBondContact O-CG 3.35Å; I21-T66 HydrophobicContact CG2-CG2 4.22Å; I21-N69 VanDerWaalsContact CB-OD1 3.24Å; I21-N69 WeakPolarHBondContact CB-OD1 3.43Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.46Å; I21-N69 PolarHBondContact N-OD1 2.91Å; I21-A71 HydrophobicContact CD1-CB 3.82Å
22K94.1Very high93.9Very high94 Ų9448.7 Ų48.741%0.40928%0.283SS..G310 helixtrans-67.7-22.7175.2-69.3-170-178.4-172.30113.8N20 T24 T66N20-K22 PolarHBondContact O-N 3.45Å; N20-K22 VanDerWaalsContact O-N 3.15Å; N20-K22 PolarHBondContact OD1-N 3.21Å; N20-K22 VanDerWaalsContact OD1-N 3.08Å; K22-T24 VanDerWaalsContact C-N 3.28Å; K22-T24 PolarHBondContact O-N 3.08Å; K22-T66 HydrophobicContact CD-CG2 4.1Å; K22-T66 VanDerWaalsContact CE-CG2 3.47Å; K22-T66 WeakPolarHBondContact CE-OG1 3.45Å; K22-T66 HydrophobicContact CG-CG2 3.49Å; K22-T66 VanDerWaalsContact CG-CG2 3.49Å
23D92.9Very high93.3Very high130 Ų13054.3 Ų54.370%0.69532%0.32SS*.G310 helixtrans-89.73.6-170.7-58.6-24.8000112.4N20 I21N20-D23 WeakPolarHBondContact CB-OD2 3.34Å; N20-D23 PolarHBondContact O-N 2.99Å; I21-D23 VanDerWaalsContact C-N 3.25Å; I21-D23 PolarHBondContact O-N 2.75Å
24T92.8Very high92.7Very high22 Ų2257 Ų5714%0.13533%0.328CS..SBendtrans-149.4169.6-177.2-169.40000111.7F19 K22 I26 P45 P90 L91F19-T24 HydrophobicContact CD2-CG2 4.03Å; F19-T24 HydrophobicContact CE2-CG2 3.67Å; K22-T24 VanDerWaalsContact C-N 3.28Å; K22-T24 PolarHBondContact O-N 3.08Å; T24-I26 HydrophobicContact CG2-CD1 3.82Å; T24-P45 WeakPolarHBondContact O-CD 3.45Å; T24-P90 HydrophobicContact CG2-CB 3.76Å; T24-L91 PolarHBondContact OG1-N 3.24Å; T24-L91 PolarHBondContact OG1-O 2.82Å
25Y94.8Very high92.1Very high86 Ų8660.5 Ų60.534%0.33734%0.343SS..PPolyproline II helixtrans-91.9136.1170.5-55.2-71.1000109.9R42 I43 D44 P90 L91Y25-R42 VanDerWaalsContact CG-NH1 3.31Å; Y25-I43 WeakPolarHBondContact CA-O 3.02Å; Y25-D44 HydrophobicContact CD1-CB 3.67Å; Y25-D44 HydrophobicContact CE1-CB 3.59Å; Y25-D44 WeakPolarHBondContact CE1-OD2 3.43Å; Y25-P90 WeakPolarHBondContact O-CA 3.36Å; Y25-L91 HydrophobicContact CD2-CD1 3.45Å; Y25-L91 VanDerWaalsContact CD2-CD1 3.45Å; Y25-L91 HydrophobicContact CE2-CD1 4.32Å; Y25-L91 HydrophobicContact CG-CD1 4.16Å; Y25-L91 PolarHBondContact O-N 3.24Å; Y25-L91 VanDerWaalsContact O-N 3.16Å
26I95.9Very high91.7Very high3 Ų358.6 Ų58.62%0.01534%0.342CS..EExtended strand (participates in β ladder)trans-103.3116.7175-53-58.7000108.8F19 I21 T24 R42 I43 P45 A71 C88 P90F19-I26 HydrophobicContact CE2-CD1 4.27Å; I21-I26 HydrophobicContact CD1-CD1 4.38Å; I21-I26 HydrophobicContact CD1-CG1 3.94Å; I21-I26 HydrophobicContact CG1-CD1 3.77Å; I21-I26 HydrophobicContact CG1-CG1 3.57Å; T24-I26 HydrophobicContact CG2-CD1 3.82Å; I26-R42 CarbonylContact O-C 3.52Å; I26-R42 WeakPolarHBondContact O-CA 2.98Å; I26-I43 HydrophobicContact CB-CG2 4.05Å; I26-I43 PolarHBondContact N-O 2.8Å; I26-I43 PolarHBondContact O-N 2.9Å; I26-P45 HydrophobicContact CG1-CG 4.32Å; I26-A71 HydrophobicContact CB-CB 4.2Å; I26-A71 HydrophobicContact CG1-CB 4.33Å; I26-A71 HydrophobicContact CG2-CB 3.79Å; I26-C88 HydrophobicContact CG2-CB 4.28Å; I26-P90 HydrophobicContact CD1-CB 4.01Å
27H96.8Very high91.8Very high15 Ų1562.7 Ų62.77%0.06936%0.362CS..EExtended strand (participates in β ladder)trans-95.1144177.6-68.6-110000110.2W39 G41 R42 C88 A89 F93H27-W39 AromaticContact CG-NE1 3.88Å; H27-W39 AromaticContact ND1-CD1 3.92Å; H27-W39 AromaticContact ND1-CE2 3.89Å; H27-W39 AromaticContact ND1-NE1 3.09Å; H27-W39 PolarHBondContact ND1-NE1 3.34Å; H27-G41 WeakPolarHBondContact CA-O 3.22Å; H27-R42 VanDerWaalsContact CE1-CD 3.43Å; H27-R42 WeakPolarHBondContact CE1-CD 3.39Å; H27-C88 CarbonylContact O-C 3.56Å; H27-C88 WeakPolarHBondContact O-CA 3.35Å; H27-A89 PolarHBondContact N-O 2.86Å; H27-A89 PolarHBondContact O-N 3.47Å; H27-F93 HydrophobicContact CB-CE1 3.64Å; H27-F93 HydrophobicContact CB-CZ 4.15Å; H27-F93 AromaticContact CD2-CE1 3.97Å; H27-F93 AromaticContact CD2-CZ 3.82Å; H27-F93 AromaticContact CE1-CZ 3.68Å; H27-F93 AromaticContact CG-CE1 3.56Å; H27-F93 AromaticContact CG-CZ 3.56Å; H27-F93 AromaticContact ND1-CE1 3.9Å; H27-F93 AromaticContact ND1-CZ 3.48Å; H27-F93 WeakPolarHBondContact ND1-CZ 3.27Å; H27-F93 AromaticContact NE2-CZ 3.94Å
28W97.3Very high92Very high4 Ų459 Ų592%0.01533%0.333CS..EExtended strand (participates in β ladder)trans-113.4135.1171.6-73.795.3000110.1L12 C14 I40 G41 A71 L73 Y87 C88L12-W28 HydrophobicContact CB-CH2 4.12Å; L12-W28 HydrophobicContact CB-CZ3 4.15Å; C14-W28 HydrophobicContact CB-CH2 3.69Å; C14-W28 HydrophobicContact CB-CZ2 3.77Å; W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.25Å; W28-I40 WeakPolarHBondContact O-CB 3.37Å; W28-I40 PolarHBondContact O-N 3.1Å; W28-G41 PolarHBondContact N-O 3.02Å; W28-A71 HydrophobicContact CZ2-CB 4.38Å; W28-L73 HydrophobicContact CB-CD2 4.19Å; W28-L73 HydrophobicContact CD2-CB 3.53Å; W28-L73 HydrophobicContact CD2-CD2 3.9Å; W28-L73 HydrophobicContact CD2-CG 4.26Å; W28-L73 HydrophobicContact CE3-CB 3.74Å; W28-L73 HydrophobicContact CE3-CD2 3.65Å; W28-L73 HydrophobicContact CE3-CG 4.34Å; W28-L73 HydrophobicContact CG-CB 4.06Å; W28-L73 HydrophobicContact CG-CD2 4.15Å; W28-L73 HydrophobicContact CG-CG 4.5Å; W28-L73 HydrophobicContact CH2-CB 3.96Å; W28-L73 HydrophobicContact CZ2-CB 3.77Å; W28-L73 HydrophobicContact CZ3-CB 3.95Å; W28-L73 HydrophobicContact CZ3-CD2 4.29Å; W28-Y87 WeakPolarHBondContact CA-O 3.15Å; W28-C88 HydrophobicContact CD2-CB 4.27Å; W28-C88 HydrophobicContact CE3-CB 4.12Å; W28-C88 HydrophobicContact CH2-CB 4.17Å; W28-C88 HydrophobicContact CZ2-CB 4.3Å; W28-C88 HydrophobicContact CZ3-CB 4.08Å
29V96.4Very high92.3Very high7 Ų758.6 Ų58.64%0.04230%0.304CS..EExtended strand (participates in β ladder)trans-136.4137.7-174.1-176.20000109.2L37 E38 Y86 Y87 W96V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.87Å; V29-L37 HydrophobicContact CG1-CG 4.31Å; V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 3.28Å; V29-E38 WeakPolarHBondContact CG1-O 3.39Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.36Å; V29-Y87 PolarHBondContact N-O 2.78Å; V29-Y87 PolarHBondContact O-N 3.1Å; V29-W96 HydrophobicContact CB-CH2 4.25Å; V29-W96 HydrophobicContact CB-CZ3 3.9Å; V29-W96 HydrophobicContact CG1-CH2 4.22Å; V29-W96 HydrophobicContact CG1-CZ3 4.09Å; V29-W96 HydrophobicContact CG2-CH2 3.9Å; V29-W96 HydrophobicContact CG2-CZ3 3.94Å
30K95.4Very high92.6Very high1 Ų155 Ų550%0.00429%0.288CS..EExtended strand (participates in β ladder)trans-104.7134.8174.1-177.3-178.7-179.1179.30109.3E38 I40 F56 E81 D82 A84 Y86K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 2.8Å; K30-E38 PolarHBondContact O-N 3.28Å; K30-I40 HydrophobicContact CB-CD1 4.03Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; K30-F56 HydrophobicContact CD-CE1 4.01Å; K30-F56 HydrophobicContact CD-CZ 4.03Å; K30-E81 WeakPolarHBondContact CE-O 3.2Å; K30-E81 PolarHBondContact NZ-O 2.88Å; K30-D82 IonicContact NZ-OD1 2.7Å; K30-D82 PolarHBondContact NZ-OD1 2.89Å; K30-A84 HydrophobicContact CD-CB 4.14Å; K30-A84 HydrophobicContact CG-CB 3.48Å; K30-A84 VanDerWaalsContact CG-CB 3.48Å; K30-Y86 HydrophobicContact CB-CD1 4.28Å; K30-Y86 HydrophobicContact CB-CE1 4.03Å; K30-Y86 HydrophobicContact CD-CE1 4.08Å; K30-Y86 WeakPolarHBondContact CE-OH 3.39Å; K30-Y86 HydrophobicContact CG-CD1 4.42Å; K30-Y86 HydrophobicContact CG-CE1 3.88Å
31Q94.9Very high92.9Very high72 Ų7251.7 Ų51.734%0.33627%0.27SS..EExtended strand (participates in β ladder)trans-120.8115.9172-169.4-179.927.200109.6L37 A84 V85 Y87Q31-L37 HydrophobicContact CB-CD2 3.73Å; Q31-L37 HydrophobicContact CG-CD2 3.81Å; Q31-A84 WeakPolarHBondContact O-CA 3.35Å; Q31-A84 VanDerWaalsContact O-CB 3.25Å; Q31-A84 WeakPolarHBondContact O-CB 3.36Å; Q31-V85 PolarHBondContact N-O 3.05Å; Q31-V85 PolarHBondContact O-N 3.42Å; Q31-Y87 HydrophobicContact CB-CD2 4.31Å; Q31-Y87 HydrophobicContact CB-CE2 3.8Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.32Å; Q31-Y87 PolarHBondContact OE1-OH 2.9Å
32R90.7Very high93Very high42 Ų4254.1 Ų54.116%0.15828%0.279CS..  trans-86.9151.5169.9-62-170.3178.2109.1-1.8110.1D34 Q35 E38 E81 A84R32-D34 PolarHBondContact O-N 2.91Å; R32-D34 VanDerWaalsContact O-N 3.17Å; R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 4.33Å; R32-Q35 PolarHBondContact O-N 2.91Å; R32-E38 IonicContact CZ-OE2 3.73Å; R32-E38 VanDerWaalsContact CZ-OE2 3.31Å; R32-E38 IonicContact NH1-OE1 3.31Å; R32-E38 IonicContact NH1-OE2 3.45Å; R32-E38 PolarHBondContact NH1-OE2 3.04Å; R32-E38 IonicContact NH2-OE2 3.34Å; R32-E81 PolarHBondContact NE-O 3.11Å; R32-E81 PolarHBondContact NH2-O 3.03Å; R32-A84 HydrophobicContact CG-CB 4.26Å
33P82.5Confident93.1Very high125 Ų12549.6 Ų49.681%0.81226%0.26SS*.THydrogen-bonded Turntrans-58.6-28-179.2-24.934.8000114.6
34D84.6Confident93.3Very high129 Ų12944.3 Ų44.369%0.6923%0.231SC*.THydrogen-bonded Turntrans-1150.5-173.363.2-32.5000113.4R32R32-D34 PolarHBondContact O-N 2.91Å; R32-D34 VanDerWaalsContact O-N 3.17Å
35Q82.4Confident93.4Very high93 Ų9343.6 Ų43.644%0.43523%0.227SC..SBendtrans-130161.3-179.9-53.2-177.4-13.800111.3R32R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 4.33Å; R32-Q35 PolarHBondContact O-N 2.91Å
36G87.1Confident93.4Very high55 Ų5542.3 Ų42.357%0.56723%0.234SC*.  trans-65.3-177.6175.800000113.4E38G36-E38 PolarHBondContact O-N 2.78Å
37L92.8Very high93.4Very high96 Ų9647.8 Ų47.850%0.50326%0.262SS..EExtended strand (participates in β ladder)trans-68.8126.5172.6-64.5173.4000110.3V29 Q31 W96V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.87Å; V29-L37 HydrophobicContact CG1-CG 4.31Å; Q31-L37 HydrophobicContact CB-CD2 3.73Å; Q31-L37 HydrophobicContact CG-CD2 3.81Å; L37-W96 HydrophobicContact CD1-CH2 4.03Å
38E95.1Very high93.2Very high30 Ų3052.3 Ų52.314%0.1429%0.291CS..EExtended strand (participates in β ladder)trans-106.6120.2172.5-64.7-169.410400109.6V29 K30 R32 G36 K55 F56V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 3.28Å; V29-E38 WeakPolarHBondContact CG1-O 3.39Å; K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 2.8Å; K30-E38 PolarHBondContact O-N 3.28Å; R32-E38 IonicContact CZ-OE2 3.73Å; R32-E38 VanDerWaalsContact CZ-OE2 3.31Å; R32-E38 IonicContact NH1-OE1 3.31Å; R32-E38 IonicContact NH1-OE2 3.45Å; R32-E38 PolarHBondContact NH1-OE2 3.04Å; R32-E38 IonicContact NH2-OE2 3.34Å; G36-E38 PolarHBondContact O-N 2.78Å; E38-K55 IonicContact OE1-NZ 3.78Å; E38-K55 PolarHBondContact OE1-NZ 2.85Å; E38-F56 HydrophobicContact CB-CE2 4.36Å; E38-F56 HydrophobicContact CB-CZ 4.3Å
39W95.6Very high93.1Very high81 Ų8155.6 Ų55.631%0.30731%0.309SS..EExtended strand (participates in β ladder)trans-74.6128.1174.9-177.969.5000110H27 G41 R42 I51 D53H27-W39 AromaticContact CG-NE1 3.88Å; H27-W39 AromaticContact ND1-CD1 3.92Å; H27-W39 AromaticContact ND1-CE2 3.89Å; H27-W39 AromaticContact ND1-NE1 3.09Å; H27-W39 PolarHBondContact ND1-NE1 3.34Å; W39-G41 VanDerWaalsContact CE2-C 3.45Å; W39-G41 VanDerWaalsContact CE2-CA 3.5Å; W39-G41 PolarHBondContact NE1-O 2.94Å; W39-R42 HydrophobicContact CZ2-CB 3.98Å; W39-R42 HydrophobicContact CZ2-CG 4.01Å; W39-I51 HydrophobicContact CH2-CB 4.34Å; W39-I51 HydrophobicContact CH2-CG2 3.95Å; W39-D53 HydrophobicContact CE3-CB 3.85Å; W39-D53 HydrophobicContact CZ3-CB 4.1Å; W39-D53 VanDerWaalsContact O-CB 3.25Å; W39-D53 WeakPolarHBondContact O-CB 3.47Å
40I97Very high93.2Very high0 Ų057.4 Ų57.40%032%0.32CS..EExtended strand (participates in β ladder)trans-90.6-44.4-179.7-63.9165.7000110.2W28 K30 D53 F56 A60 L73 Y86W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.25Å; W28-I40 WeakPolarHBondContact O-CB 3.37Å; W28-I40 PolarHBondContact O-N 3.1Å; K30-I40 HydrophobicContact CB-CD1 4.03Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; I40-D53 PolarHBondContact O-N 2.86Å; I40-F56 HydrophobicContact CB-CD2 4.35Å; I40-F56 HydrophobicContact CB-CG 4.3Å; I40-F56 HydrophobicContact CG1-CD1 4.11Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.01Å; I40-F56 HydrophobicContact CG1-CE2 4.15Å; I40-F56 HydrophobicContact CG1-CG 4.22Å; I40-F56 HydrophobicContact CG1-CZ 4.03Å; I40-F56 HydrophobicContact CG2-CB 3.91Å; I40-F56 HydrophobicContact CG2-CD1 4.23Å; I40-F56 HydrophobicContact CG2-CD2 4.45Å; I40-F56 HydrophobicContact CG2-CG 3.95Å; I40-A60 HydrophobicContact CG2-CB 3.7Å; I40-L73 HydrophobicContact CD1-CD2 3.7Å; I40-L73 HydrophobicContact CG2-CD1 4.15Å; I40-Y86 HydrophobicContact CD1-CD1 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.79Å
41G97.2Very high93.2Very high0 Ų060.8 Ų60.80%034%0.337CS..EExtended strand (participates in β ladder)trans166.2179.8-171.300000112.6H27 W28 W39 I51H27-G41 WeakPolarHBondContact CA-O 3.22Å; W28-G41 PolarHBondContact N-O 3.02Å; W39-G41 VanDerWaalsContact CE2-C 3.45Å; W39-G41 VanDerWaalsContact CE2-CA 3.5Å; W39-G41 PolarHBondContact NE1-O 2.94Å; G41-I51 CarbonylContact C-O 3.6Å; G41-I51 WeakPolarHBondContact CA-O 3.41Å
42R96.6Very high93.4Very high51 Ų5160 Ų6019%0.19233%0.331CS..EExtended strand (participates in β ladder)trans-141.3158.9173.373.1-174.6-176.793-3.5111.4Y25 I26 H27 W39 T50 I51Y25-R42 VanDerWaalsContact CG-NH1 3.31Å; I26-R42 CarbonylContact O-C 3.52Å; I26-R42 WeakPolarHBondContact O-CA 2.98Å; H27-R42 VanDerWaalsContact CE1-CD 3.43Å; H27-R42 WeakPolarHBondContact CE1-CD 3.39Å; W39-R42 HydrophobicContact CZ2-CB 3.98Å; W39-R42 HydrophobicContact CZ2-CG 4.01Å; R42-T50 WeakPolarHBondContact O-CA 3.25Å; R42-I51 HydrophobicContact CG-CB 4.28Å; R42-I51 PolarHBondContact N-O 3.34Å; R42-I51 PolarHBondContact O-N 2.93Å
43I97.1Very high93.6Very high0 Ų060 Ų600%034%0.335CS..EExtended strand (participates in β ladder)trans-123.2141.3167.5-173.6162.2000110.4Y25 I26 P45 N49 T50 I62 A64Y25-I43 WeakPolarHBondContact CA-O 3.02Å; I26-I43 HydrophobicContact CB-CG2 4.05Å; I26-I43 PolarHBondContact N-O 2.8Å; I26-I43 PolarHBondContact O-N 2.9Å; I43-P45 HydrophobicContact CG2-CG 4.32Å; I43-P45 WeakPolarHBondContact O-CD 3.32Å; I43-N49 CarbonylContact C-O 3.57Å; I43-N49 WeakPolarHBondContact CA-O 3.48Å; I43-T50 HydrophobicContact CB-CG2 3.93Å; I43-T50 HydrophobicContact CD1-CG2 3.78Å; I43-T50 HydrophobicContact CG1-CG2 3.76Å; I43-I62 HydrophobicContact CB-CG2 3.63Å; I43-I62 HydrophobicContact CD1-CG2 4.36Å; I43-I62 HydrophobicContact CG2-CG2 3.6Å; I43-A64 HydrophobicContact CD1-CB 3.86Å; I43-A64 HydrophobicContact CG2-CB 4.44Å
44D96.6Very high94.2Very high19 Ų1958.9 Ų58.910%0.10233%0.328CS..EExtended strand (participates in β ladder)trans-93.3104.8158.6-173.9-29.1000108.4Y25 A46 I47 V48 N49Y25-D44 HydrophobicContact CD1-CB 3.67Å; Y25-D44 HydrophobicContact CE1-CB 3.59Å; Y25-D44 WeakPolarHBondContact CE1-OD2 3.43Å; D44-A46 PolarHBondContact O-N 2.81Å; D44-A46 VanDerWaalsContact OD1-CB 3.29Å; D44-A46 WeakPolarHBondContact OD1-CB 3.25Å; D44-A46 PolarHBondContact OD1-N 2.89Å; D44-I47 HydrophobicContact CB-CG1 3.97Å; D44-I47 PolarHBondContact OD1-N 2.82Å; D44-I47 WeakPolarHBondContact OD2-CG1 3.37Å; D44-V48 VanDerWaalsContact O-CA 3.26Å; D44-V48 WeakPolarHBondContact O-CA 3.33Å; D44-V48 PolarHBondContact O-N 3.48Å; D44-N49 HydrophobicContact CB-CB 4.24Å; D44-N49 PolarHBondContact N-O 3.45Å; D44-N49 PolarHBondContact O-N 2.58Å
45P95.3Very high94.6Very high6 Ų659.9 Ų59.94%0.03933%0.326CS..THydrogen-bonded Turntrans-71.4-16.5-178.1-21.337.7000113.7I21 T24 I26 I43 A64 T66I21-P45 HydrophobicContact CG1-CG 4.19Å; I21-P45 HydrophobicContact CG2-CB 4.29Å; I21-P45 VanDerWaalsContact O-CG 3.27Å; I21-P45 WeakPolarHBondContact O-CG 3.35Å; T24-P45 WeakPolarHBondContact O-CD 3.45Å; I26-P45 HydrophobicContact CG1-CG 4.32Å; I43-P45 HydrophobicContact CG2-CG 4.32Å; I43-P45 WeakPolarHBondContact O-CD 3.32Å; P45-A64 HydrophobicContact CB-CB 3.84Å; P45-A64 HydrophobicContact CG-CB 4.01Å; P45-T66 HydrophobicContact CB-CG2 3.88Å
46A94.6Very high95.2Very high60 Ų6056 Ų5650%0.49631%0.307SS..THydrogen-bonded Turntrans-72.2-38.9179.200000112D44D44-A46 PolarHBondContact O-N 2.81Å; D44-A46 VanDerWaalsContact OD1-CB 3.29Å; D44-A46 WeakPolarHBondContact OD1-CB 3.25Å; D44-A46 PolarHBondContact OD1-N 2.89Å
47I95.1Very high95.4Very high117 Ų11760.1 Ų60.160%0.631%0.312SS*.THydrogen-bonded Turntrans-118.35.5-177.962.5166000113.7D44 N49D44-I47 HydrophobicContact CB-CG1 3.97Å; D44-I47 PolarHBondContact OD1-N 2.82Å; D44-I47 WeakPolarHBondContact OD2-CG1 3.37Å; I47-N49 HydrophobicContact CD1-CB 3.7Å; I47-N49 HydrophobicContact CG1-CB 3.74Å; I47-N49 PolarHBondContact O-N 2.81Å
48V93.3Very high95.3Very high111 Ų11159 Ų5967%0.67332%0.323SS*.THydrogen-bonded Turntrans57.235.4179.8-158.60000112D44D44-V48 VanDerWaalsContact O-CA 3.26Å; D44-V48 WeakPolarHBondContact O-CA 3.33Å; D44-V48 PolarHBondContact O-N 3.48Å
49N95.6Very high95.3Very high73 Ų7359.7 Ų59.739%0.3933%0.326SS..EExtended strand (participates in β ladder)trans-93.9130.3179.5-178.249.3000110.5I43 D44 I47I43-N49 CarbonylContact C-O 3.57Å; I43-N49 WeakPolarHBondContact CA-O 3.48Å; D44-N49 HydrophobicContact CB-CB 4.24Å; D44-N49 PolarHBondContact N-O 3.45Å; D44-N49 PolarHBondContact O-N 2.58Å; I47-N49 HydrophobicContact CD1-CB 3.7Å; I47-N49 HydrophobicContact CG1-CB 3.74Å; I47-N49 PolarHBondContact O-N 2.81Å
50T97.1Very high95.3Very high45 Ų4556 Ų5628%0.27631%0.313SS..EExtended strand (participates in β ladder)trans-119.9141.3-178.552.50000111.4R42 I43 Y52 I62R42-T50 WeakPolarHBondContact O-CA 3.25Å; I43-T50 HydrophobicContact CB-CG2 3.93Å; I43-T50 HydrophobicContact CD1-CG2 3.78Å; I43-T50 HydrophobicContact CG1-CG2 3.76Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.23Å; T50-I62 HydrophobicContact CG2-CB 4.3Å
51I96.8Very high95.4Very high71 Ų7159.2 Ų59.236%0.36433%0.332SS..EExtended strand (participates in β ladder)trans-127.7135.2172.1-54.5-176000107.3W39 G41 R42W39-I51 HydrophobicContact CH2-CB 4.34Å; W39-I51 HydrophobicContact CH2-CG2 3.95Å; G41-I51 CarbonylContact C-O 3.6Å; G41-I51 WeakPolarHBondContact CA-O 3.41Å; R42-I51 HydrophobicContact CG-CB 4.28Å; R42-I51 PolarHBondContact N-O 3.34Å; R42-I51 PolarHBondContact O-N 2.93Å
52Y97.5Very high95.4Very high55 Ų5559.4 Ų59.422%0.21633%0.333CS..EExtended strand (participates in β ladder)trans-117.3151.5-179.3-60.3-88.5000110.3T50 A60 I62T50-Y52 WeakPolarHBondContact OG1-CE2 3.23Å; Y52-A60 HydrophobicContact CD1-CB 4.34Å; Y52-A60 HydrophobicContact CE1-CB 4.31Å; Y52-I62 HydrophobicContact CD1-CD1 4.12Å; Y52-I62 HydrophobicContact CE1-CB 4.24Å; Y52-I62 HydrophobicContact CE1-CD1 3.76Å; Y52-I62 HydrophobicContact CE1-CG1 3.8Å; Y52-I62 PolarHBondContact OH-N 3Å
53D96.4Very high95.4Very high43 Ų4359.9 Ų59.923%0.2334%0.342CS..  trans-70135.5157.8-176.9-67.6000108.6W39 I40 K55 F56 Q57W39-D53 HydrophobicContact CE3-CB 3.85Å; W39-D53 HydrophobicContact CZ3-CB 4.1Å; W39-D53 VanDerWaalsContact O-CB 3.25Å; W39-D53 WeakPolarHBondContact O-CB 3.47Å; I40-D53 PolarHBondContact O-N 2.86Å; D53-K55 PolarHBondContact O-N 3Å; D53-K55 VanDerWaalsContact OD1-CB 3.25Å; D53-K55 WeakPolarHBondContact OD1-CB 3.26Å; D53-K55 VanDerWaalsContact OD1-CG 3.31Å; D53-K55 WeakPolarHBondContact OD1-CG 3.33Å; D53-K55 PolarHBondContact OD1-N 2.84Å; D53-F56 HydrophobicContact CB-CD2 4.08Å; D53-F56 PolarHBondContact O-N 2.82Å; D53-Q57 PolarHBondContact O-N 3.04Å
54P95.3Very high95.4Very high102 Ų10261.3 Ų61.366%0.66235%0.353SS*.THydrogen-bonded Turntrans-52.2-29.9-178.8-28.935.7000114.6F56 Q57P54-F56 PolarHBondContact O-N 2.86Å; P54-Q57 PolarHBondContact O-N 3.41Å
55K92Very high95.4Very high149 Ų14963 Ų6365%0.64836%0.363SS*.THydrogen-bonded Turntrans-64.3-28.7177.7-66.1174.3175.4179.50113.4E38 D53E38-K55 IonicContact OE1-NZ 3.78Å; E38-K55 PolarHBondContact OE1-NZ 2.85Å; D53-K55 PolarHBondContact O-N 3Å; D53-K55 VanDerWaalsContact OD1-CB 3.25Å; D53-K55 WeakPolarHBondContact OD1-CB 3.26Å; D53-K55 VanDerWaalsContact OD1-CG 3.31Å; D53-K55 WeakPolarHBondContact OD1-CG 3.33Å; D53-K55 PolarHBondContact OD1-N 2.84Å
56F94.2Very high95.3Very high12 Ų1265 Ų655%0.05338%0.375CS..THydrogen-bonded Turntrans-104.7-3.5-176.4-63.7-85.1000112.6K30 E38 I40 D53 P54 G58 K59 A60K30-F56 HydrophobicContact CD-CE1 4.01Å; K30-F56 HydrophobicContact CD-CZ 4.03Å; E38-F56 HydrophobicContact CB-CE2 4.36Å; E38-F56 HydrophobicContact CB-CZ 4.3Å; I40-F56 HydrophobicContact CB-CD2 4.35Å; I40-F56 HydrophobicContact CB-CG 4.3Å; I40-F56 HydrophobicContact CG1-CD1 4.11Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.01Å; I40-F56 HydrophobicContact CG1-CE2 4.15Å; I40-F56 HydrophobicContact CG1-CG 4.22Å; I40-F56 HydrophobicContact CG1-CZ 4.03Å; I40-F56 HydrophobicContact CG2-CB 3.91Å; I40-F56 HydrophobicContact CG2-CD1 4.23Å; I40-F56 HydrophobicContact CG2-CD2 4.45Å; I40-F56 HydrophobicContact CG2-CG 3.95Å; D53-F56 HydrophobicContact CB-CD2 4.08Å; D53-F56 PolarHBondContact O-N 2.82Å; P54-F56 PolarHBondContact O-N 2.86Å; F56-G58 PolarHBondContact O-N 2.93Å; F56-K59 PolarHBondContact O-N 2.89Å; F56-A60 HydrophobicContact CB-CB 4.1Å; F56-A60 PolarHBondContact O-N 2.88Å
57Q92.6Very high95.3Very high142 Ų14267.3 Ų67.366%0.66439%0.387SS*.BIsolated β-bridgetrans-62126.7177.2-166.8167-3.700110.3D53 P54 K59D53-Q57 PolarHBondContact O-N 3.04Å; P54-Q57 PolarHBondContact O-N 3.41Å; Q57-K59 VanDerWaalsContact C-N 3.26Å; Q57-K59 PolarHBondContact O-N 3.09Å
58G91.1Very high95.4Very high71 Ų7164 Ų6473%0.73238%0.375SS*.THydrogen-bonded Turntrans85.4-18.7-175.400000115.1F56F56-G58 PolarHBondContact O-N 2.93Å
59K94.2Very high95.4Very high46 Ų4660.4 Ų60.420%0.235%0.352CS..THydrogen-bonded Turntrans-97.1-38.4174.5-170.1169.2-167.31730112.8F56 Q57 L75 S76 D82F56-K59 PolarHBondContact O-N 2.89Å; Q57-K59 VanDerWaalsContact C-N 3.26Å; Q57-K59 PolarHBondContact O-N 3.09Å; K59-L75 WeakPolarHBondContact O-CA 3.13Å; K59-S76 WeakPolarHBondContact CG-O 2.96Å; K59-S76 PolarHBondContact O-N 2.99Å; K59-S76 PolarHBondContact O-OG 3.07Å; K59-D82 WeakPolarHBondContact CE-OD1 3.42Å; K59-D82 WeakPolarHBondContact CE-OD2 3.38Å; K59-D82 IonicContact NZ-OD1 2.81Å; K59-D82 PolarHBondContact NZ-OD1 3.43Å; K59-D82 IonicContact NZ-OD2 2.58Å; K59-D82 PolarHBondContact NZ-OD2 2.85Å
60A96.6Very high95.5Very high4 Ų457.3 Ų57.33%0.03334%0.335CS..EExtended strand (participates in β ladder)trans-99.9142.1178.600000111I40 Y52 F56 L73 Q74 L75I40-A60 HydrophobicContact CG2-CB 3.7Å; Y52-A60 HydrophobicContact CD1-CB 4.34Å; Y52-A60 HydrophobicContact CE1-CB 4.31Å; F56-A60 HydrophobicContact CB-CB 4.1Å; F56-A60 PolarHBondContact O-N 2.88Å; A60-L73 HydrophobicContact CB-CD1 3.85Å; A60-Q74 CarbonylContact C-O 3.4Å; A60-Q74 WeakPolarHBondContact CA-O 3.47Å; A60-L75 HydrophobicContact CB-CD2 4.08Å
61T97.4Very high95.5Very high66 Ų6655.1 Ų55.141%0.40532%0.322SS..EExtended strand (participates in β ladder)trans-130116.4167.2-60.40000108.3T63 Q74T61-T63 HydrophobicContact CG2-CG2 4.33Å; T61-Q74 PolarHBondContact N-O 3.16Å; T61-Q74 PolarHBondContact O-N 3.3Å
62I97.8Very high95.5Very high5 Ų554.1 Ų54.13%0.02631%0.314CS..EExtended strand (participates in β ladder)trans-100.8131.2179.7-59.6165.2000108.6I43 T50 Y52 Y72 L73I43-I62 HydrophobicContact CB-CG2 3.63Å; I43-I62 HydrophobicContact CD1-CG2 4.36Å; I43-I62 HydrophobicContact CG2-CG2 3.6Å; T50-I62 HydrophobicContact CG2-CB 4.3Å; Y52-I62 HydrophobicContact CD1-CD1 4.12Å; Y52-I62 HydrophobicContact CE1-CB 4.24Å; Y52-I62 HydrophobicContact CE1-CD1 3.76Å; Y52-I62 HydrophobicContact CE1-CG1 3.8Å; Y52-I62 PolarHBondContact OH-N 3Å; I62-Y72 WeakPolarHBondContact CA-O 3.32Å; I62-L73 HydrophobicContact CG1-CD1 3.85Å
63T97.2Very high95.5Very high60 Ų6051.5 Ų51.537%0.36830%0.304SS..EExtended strand (participates in β ladder)trans-137165.8175.854.40000110.1T61 A71 Y72T61-T63 HydrophobicContact CG2-CG2 4.33Å; T63-A71 CarbonylContact O-C 3.6Å; T63-Y72 PolarHBondContact N-O 2.01Å; T63-Y72 PolarHBondContact O-N 3.27Å
64A96.7Very high95.5Very high30 Ų3053.6 Ų53.625%0.24831%0.312CS..EExtended strand (participates in β ladder)trans-142.6140.6174.100000110.3I43 P45 T70I43-A64 HydrophobicContact CD1-CB 3.86Å; I43-A64 HydrophobicContact CG2-CB 4.44Å; P45-A64 HydrophobicContact CB-CB 3.84Å; P45-A64 HydrophobicContact CG-CB 4.01Å; A64-T70 WeakPolarHBondContact CA-O 3.48Å
65D95.6Very high95.6Very high56 Ų5648.7 Ų48.730%0.29928%0.28SS..EExtended strand (participates in β ladder)trans-111.4110.7168.3175.610.4000108.6S67 S68 N69 T70 Y72D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 VanDerWaalsContact CG-OG 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.2Å; D65-S67 PolarHBondContact OD1-N 3.31Å; D65-S67 PolarHBondContact OD1-OG 3.36Å; D65-S67 PolarHBondContact OD2-OG 3.01Å; D65-S68 WeakPolarHBondContact CB-OG 3.48Å; D65-S68 WeakPolarHBondContact OD2-CB 3.39Å; D65-S68 PolarHBondContact OD2-OG 3.17Å; D65-N69 PolarHBondContact O-N 3.18Å; D65-N69 VanDerWaalsContact O-N 3.1Å; D65-T70 PolarHBondContact N-O 3.36Å; D65-T70 PolarHBondContact O-N 2.9Å; D65-Y72 HydrophobicContact CB-CE2 3.97Å
66T94.8Very high95.7Very high47 Ų4743.3 Ų43.329%0.28826%0.261SS..THydrogen-bonded Turntrans-81.3-15.6-176650000113I21 K22 P45I21-T66 HydrophobicContact CG2-CG2 4.22Å; K22-T66 HydrophobicContact CD-CG2 4.1Å; K22-T66 VanDerWaalsContact CE-CG2 3.47Å; K22-T66 WeakPolarHBondContact CE-OG1 3.45Å; K22-T66 HydrophobicContact CG-CG2 3.49Å; K22-T66 VanDerWaalsContact CG-CG2 3.49Å; P45-T66 HydrophobicContact CB-CG2 3.88Å
67S94.3Very high95.7Very high108 Ų10846.5 Ų46.576%0.75529%0.285SS*.THydrogen-bonded Turntrans-75.1-37.2174.2720000111.6D65D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 VanDerWaalsContact CG-OG 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.2Å; D65-S67 PolarHBondContact OD1-N 3.31Å; D65-S67 PolarHBondContact OD1-OG 3.36Å; D65-S67 PolarHBondContact OD2-OG 3.01Å
68S95.8Very high95.7Very high48 Ų4839.9 Ų39.934%0.33625%0.254SS..THydrogen-bonded Turntrans-96.17.5175.363.40000113.5D65 T70D65-S68 WeakPolarHBondContact CB-OG 3.48Å; D65-S68 WeakPolarHBondContact OD2-CB 3.39Å; D65-S68 PolarHBondContact OD2-OG 3.17Å; S68-T70 PolarHBondContact O-N 3.06Å; S68-T70 VanDerWaalsContact O-N 3.16Å; S68-T70 PolarHBondContact O-OG1 3.22Å
69N95.3Very high95.8Very high36 Ų3639.1 Ų39.119%0.19324%0.236CC..THydrogen-bonded Turntrans51.437.7-179.8-150.141.3000113.2A16 F19 I21 D65A16-N69 WeakPolarHBondContact CB-ND2 3.44Å; A16-N69 PolarHBondContact N-O 2.81Å; A16-N69 PolarHBondContact O-ND2 3.1Å; F19-N69 PolarHBondContact O-ND2 2.7Å; I21-N69 VanDerWaalsContact CB-OD1 3.24Å; I21-N69 WeakPolarHBondContact CB-OD1 3.43Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.46Å; I21-N69 PolarHBondContact N-OD1 2.91Å; D65-N69 PolarHBondContact O-N 3.18Å; D65-N69 VanDerWaalsContact O-N 3.1Å
70T96.6Very high95.6Very high7 Ų740.5 Ų40.54%0.04325%0.251CS..EExtended strand (participates in β ladder)trans-129.2129.6-168.6-61.60000111.8C14 T15 A64 D65 S68 Y72C14-T70 CarbonylContact O-C 3.59Å; C14-T70 WeakPolarHBondContact O-CA 3.25Å; T15-T70 PolarHBondContact OG1-OG1 3.32Å; A64-T70 WeakPolarHBondContact CA-O 3.48Å; D65-T70 PolarHBondContact N-O 3.36Å; D65-T70 PolarHBondContact O-N 2.9Å; S68-T70 PolarHBondContact O-N 3.06Å; S68-T70 VanDerWaalsContact O-N 3.16Å; S68-T70 PolarHBondContact O-OG1 3.22Å; T70-Y72 HydrophobicContact CG2-CD1 4.15Å; T70-Y72 HydrophobicContact CG2-CE1 3.53Å; T70-Y72 HydrophobicContact CG2-CE2 3.98Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.42Å
71A96.5Very high95.2Very high0 Ų046.5 Ų46.50%028%0.278CS..EExtended strand (participates in β ladder)trans-95152.316800000110.5S13 C14 I21 I26 W28 T63S13-A71 CarbonylContact C-O 3.52Å; S13-A71 WeakPolarHBondContact CA-O 3.31Å; C14-A71 HydrophobicContact CB-CB 4.5Å; C14-A71 PolarHBondContact N-O 2.79Å; C14-A71 PolarHBondContact O-N 2.88Å; I21-A71 HydrophobicContact CD1-CB 3.82Å; I26-A71 HydrophobicContact CB-CB 4.2Å; I26-A71 HydrophobicContact CG1-CB 4.33Å; I26-A71 HydrophobicContact CG2-CB 3.79Å; W28-A71 HydrophobicContact CZ2-CB 4.38Å; T63-A71 CarbonylContact O-C 3.6Å
72Y97.2Very high95Very high50 Ų5043.5 Ų43.520%0.19626%0.26CS..EExtended strand (participates in β ladder)trans-131.5144.1179.1-54.9-81.3000111.5K11 L12 I62 T63 D65 T70K11-Y72 HydrophobicContact CD-CD1 4.38Å; K11-Y72 VanDerWaalsContact CE-CB 3.46Å; K11-Y72 HydrophobicContact CG-CD1 4.39Å; L12-Y72 CarbonylContact O-C 3.53Å; L12-Y72 WeakPolarHBondContact O-CA 3.48Å; I62-Y72 WeakPolarHBondContact CA-O 3.32Å; T63-Y72 PolarHBondContact N-O 2.01Å; T63-Y72 PolarHBondContact O-N 3.27Å; D65-Y72 HydrophobicContact CB-CE2 3.97Å; T70-Y72 HydrophobicContact CG2-CD1 4.15Å; T70-Y72 HydrophobicContact CG2-CE1 3.53Å; T70-Y72 HydrophobicContact CG2-CE2 3.98Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.42Å
73L97.7Very high94.8Very high0 Ų045.5 Ų45.50%027%0.272CS..EExtended strand (participates in β ladder)trans-121.3114.2169.6170.367000108.2L12 W28 I40 A60 I62 L75 Y86L12-L73 HydrophobicContact CB-CB 4.43Å; L12-L73 HydrophobicContact CD1-CD2 4.29Å; L12-L73 PolarHBondContact N-O 3.2Å; L12-L73 PolarHBondContact O-N 2.78Å; W28-L73 HydrophobicContact CB-CD2 4.19Å; W28-L73 HydrophobicContact CD2-CB 3.53Å; W28-L73 HydrophobicContact CD2-CD2 3.9Å; W28-L73 HydrophobicContact CD2-CG 4.26Å; W28-L73 HydrophobicContact CE3-CB 3.74Å; W28-L73 HydrophobicContact CE3-CD2 3.65Å; W28-L73 HydrophobicContact CE3-CG 4.34Å; W28-L73 HydrophobicContact CG-CB 4.06Å; W28-L73 HydrophobicContact CG-CD2 4.15Å; W28-L73 HydrophobicContact CG-CG 4.5Å; W28-L73 HydrophobicContact CH2-CB 3.96Å; W28-L73 HydrophobicContact CZ2-CB 3.77Å; W28-L73 HydrophobicContact CZ3-CB 3.95Å; W28-L73 HydrophobicContact CZ3-CD2 4.29Å; I40-L73 HydrophobicContact CD1-CD2 3.7Å; I40-L73 HydrophobicContact CG2-CD1 4.15Å; A60-L73 HydrophobicContact CB-CD1 3.85Å; I62-L73 HydrophobicContact CG1-CD1 3.85Å; L73-L75 HydrophobicContact CD1-CD2 4.17Å; L73-L75 HydrophobicContact CD2-CD1 4.43Å; L73-L75 HydrophobicContact CD2-CD2 4.35Å; L73-L75 HydrophobicContact CD2-CG 4.34Å; L73-L75 HydrophobicContact CG-CD2 4.28Å; L73-L75 HydrophobicContact CG-CG 4.17Å; L73-Y86 HydrophobicContact CD2-CD1 3.97Å
74Q97Very high94.6Very high86 Ų8642.8 Ų42.840%0.40226%0.256SS..EExtended strand (participates in β ladder)trans-97128.2170.3-177.1171.7-2.200109.4I10 A60 T61I10-Q74 CarbonylContact O-C 3.55Å; I10-Q74 VanDerWaalsContact O-CA 3.28Å; I10-Q74 WeakPolarHBondContact O-CA 3.45Å; A60-Q74 CarbonylContact C-O 3.4Å; A60-Q74 WeakPolarHBondContact CA-O 3.47Å; T61-Q74 PolarHBondContact N-O 3.16Å; T61-Q74 PolarHBondContact O-N 3.3Å
75L95.9Very high94.6Very high0 Ų043 Ų430%025%0.254CS..EExtended strand (participates in β ladder)trans-112.8128.6173.9-63.3167.7000108.2S9 I10 K59 A60 L73 L78 Y86 L102S9-L75 CarbonylContact C-O 3.54Å; S9-L75 WeakPolarHBondContact CA-O 3Å; S9-L75 WeakPolarHBondContact CB-O 3.49Å; I10-L75 HydrophobicContact CG2-CB 4.27Å; I10-L75 HydrophobicContact CG2-CD1 4.5Å; I10-L75 PolarHBondContact N-O 2.97Å; I10-L75 PolarHBondContact O-N 2.79Å; K59-L75 WeakPolarHBondContact O-CA 3.13Å; A60-L75 HydrophobicContact CB-CD2 4.08Å; L73-L75 HydrophobicContact CD1-CD2 4.17Å; L73-L75 HydrophobicContact CD2-CD1 4.43Å; L73-L75 HydrophobicContact CD2-CD2 4.35Å; L73-L75 HydrophobicContact CD2-CG 4.34Å; L73-L75 HydrophobicContact CG-CD2 4.28Å; L73-L75 HydrophobicContact CG-CG 4.17Å; L75-L78 HydrophobicContact CB-CD2 3.7Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; L75-Y86 HydrophobicContact CD1-CD1 4.1Å; L75-Y86 HydrophobicContact CD1-CE1 3.45Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.45Å; L75-Y86 HydrophobicContact CD1-CE2 4.26Å; L75-L102 HydrophobicContact CD1-CD2 4.22Å
76S94.9Very high94.6Very high35 Ų3540.4 Ų40.425%0.24524%0.24CC..  trans-107.5158.9178.658.90000111.8S9 K59 L78S9-S76 WeakPolarHBondContact OG-CA 3.29Å; K59-S76 WeakPolarHBondContact CG-O 2.96Å; K59-S76 PolarHBondContact O-N 2.99Å; K59-S76 PolarHBondContact O-OG 3.07Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 2.95Å
77S93.5Very high94.7Very high80 Ų8040.3 Ų40.356%0.55924%0.235SC*.SBendtrans49.753.4174.3-57.70000112.7A8A8-S77 PolarHBondContact O-N 3.22Å
78L93.5Very high94.7Very high2 Ų235.8 Ų35.81%0.0120%0.203CC..  trans-61.6139.7-173.9-70172.1000112V4 P6 G7 A8 I10 L75 S76 D82 L102 V104V4-L78 HydrophobicContact CB-CD1 4.35Å; V4-L78 HydrophobicContact CG2-CD1 3.67Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.44Å; G7-L78 PolarHBondContact N-O 2.82Å; A8-L78 WeakPolarHBondContact O-CB 2.98Å; A8-L78 WeakPolarHBondContact O-CG 3.33Å; A8-L78 PolarHBondContact O-N 2.96Å; I10-L78 HydrophobicContact CB-CD1 4.15Å; I10-L78 HydrophobicContact CG2-CD1 3.85Å; L75-L78 HydrophobicContact CB-CD2 3.7Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 2.95Å; L78-D82 WeakPolarHBondContact CA-OD2 3.18Å; L78-D82 HydrophobicContact CD2-CB 3.77Å; L78-L102 HydrophobicContact CD1-CD2 4.26Å; L78-L102 HydrophobicContact CD2-CD2 4.04Å; L78-V104 HydrophobicContact CB-CG1 4.28Å; L78-V104 HydrophobicContact CB-CG2 4.08Å
79T92.5Very high94.7Very high56 Ų5633.5 Ų33.534%0.34419%0.187SC..  trans-123.8166.9176.263.70000110.2E81 D82 V104T79-E81 PolarHBondContact O-N 2.95Å; T79-E81 VanDerWaalsContact O-N 3.08Å; T79-D82 PolarHBondContact N-OD2 2.87Å; T79-D82 WeakPolarHBondContact O-CB 3.37Å; T79-D82 PolarHBondContact O-N 2.99Å; T79-D82 PolarHBondContact OG1-OD2 2.84Å; T79-V104 WeakPolarHBondContact O-CB 3.37Å; T79-V104 VanDerWaalsContact O-CG2 3.28Å; T79-V104 WeakPolarHBondContact O-CG2 3.35Å
80S90.1Very high94.6Very high75 Ų7532.6 Ų32.652%0.52418%0.183SC..G310 helixtrans-52.8-31.6176.2530000112.9D82 T83S80-D82 PolarHBondContact O-N 2.83Å; S80-T83 VanDerWaalsContact O-CB 3.29Å; S80-T83 WeakPolarHBondContact O-CB 3.37Å; S80-T83 PolarHBondContact O-N 2.83Å; S80-T83 VanDerWaalsContact O-N 3.1Å; S80-T83 PolarHBondContact O-OG1 2.87Å; S80-T83 VanDerWaalsContact O-OG1 3.1Å
81E89.1Confident94.1Very high129 Ų12935.5 Ų35.560%0.60320%0.198SC*.G310 helixtrans-66.5-14.8176.4-60.3-176.3173.500114.6K30 R32 T79 T83K30-E81 WeakPolarHBondContact CE-O 3.2Å; K30-E81 PolarHBondContact NZ-O 2.88Å; R32-E81 PolarHBondContact NE-O 3.11Å; R32-E81 PolarHBondContact NH2-O 3.03Å; T79-E81 PolarHBondContact O-N 2.95Å; T79-E81 VanDerWaalsContact O-N 3.08Å; E81-T83 VanDerWaalsContact C-N 3.3Å
82D92.1Very high93.5Very high4 Ų439.7 Ų39.72%0.02123%0.225CC..G310 helixtrans-84.7-3.7173.7-58.8-47000113.4K30 K59 L78 T79 S80 A84 Y86 V104K30-D82 IonicContact NZ-OD1 2.7Å; K30-D82 PolarHBondContact NZ-OD1 2.89Å; K59-D82 WeakPolarHBondContact CE-OD1 3.42Å; K59-D82 WeakPolarHBondContact CE-OD2 3.38Å; K59-D82 IonicContact NZ-OD1 2.81Å; K59-D82 PolarHBondContact NZ-OD1 3.43Å; K59-D82 IonicContact NZ-OD2 2.58Å; K59-D82 PolarHBondContact NZ-OD2 2.85Å; L78-D82 WeakPolarHBondContact CA-OD2 3.18Å; L78-D82 HydrophobicContact CD2-CB 3.77Å; T79-D82 PolarHBondContact N-OD2 2.87Å; T79-D82 WeakPolarHBondContact O-CB 3.37Å; T79-D82 PolarHBondContact O-N 2.99Å; T79-D82 PolarHBondContact OG1-OD2 2.84Å; S80-D82 PolarHBondContact O-N 2.83Å; D82-A84 PolarHBondContact O-N 3.43Å; D82-Y86 WeakPolarHBondContact O-CE2 3.28Å; D82-Y86 PolarHBondContact O-OH 3.01Å; D82-V104 HydrophobicContact CB-CG2 4.05Å
83T93.5Very high92.7Very high46 Ų4640.9 Ų40.928%0.28223%0.231SC..  trans-63.8110.2170.3-62.20000109.5S80 E81 L102 T103 V104S80-T83 VanDerWaalsContact O-CB 3.29Å; S80-T83 WeakPolarHBondContact O-CB 3.37Å; S80-T83 PolarHBondContact O-N 2.83Å; S80-T83 VanDerWaalsContact O-N 3.1Å; S80-T83 PolarHBondContact O-OG1 2.87Å; S80-T83 VanDerWaalsContact O-OG1 3.1Å; E81-T83 VanDerWaalsContact C-N 3.3Å; T83-L102 WeakPolarHBondContact CA-O 3.24Å; T83-T103 HydrophobicContact CG2-CG2 4.36Å; T83-V104 PolarHBondContact OG1-N 2.8Å
84A94.8Very high91.9Very high4 Ų446.5 Ų46.53%0.03326%0.262CS..EExtended strand (participates in β ladder)trans-168.5170.7-171.600000110.7K30 Q31 R32 D82 Y86 L102K30-A84 HydrophobicContact CD-CB 4.14Å; K30-A84 HydrophobicContact CG-CB 3.48Å; K30-A84 VanDerWaalsContact CG-CB 3.48Å; Q31-A84 WeakPolarHBondContact O-CA 3.35Å; Q31-A84 VanDerWaalsContact O-CB 3.25Å; Q31-A84 WeakPolarHBondContact O-CB 3.36Å; R32-A84 HydrophobicContact CG-CB 4.26Å; D82-A84 PolarHBondContact O-N 3.43Å; A84-Y86 HydrophobicContact CB-CD2 4.35Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; A84-L102 PolarHBondContact N-O 2.91Å; A84-L102 VanDerWaalsContact N-O 3.11Å; A84-L102 PolarHBondContact O-N 3.41Å
85V95.6Very high91.2Very high33 Ų3350.5 Ų50.520%0.227%0.274CS..EExtended strand (participates in β ladder)trans-95.6129.6163.4-168.40000108.8Q31 Y87 T100 T101Q31-V85 PolarHBondContact N-O 3.05Å; Q31-V85 PolarHBondContact O-N 3.42Å; V85-Y87 HydrophobicContact CB-CE2 3.74Å; V85-Y87 HydrophobicContact CG1-CD2 4.28Å; V85-Y87 HydrophobicContact CG1-CE1 4.02Å; V85-Y87 HydrophobicContact CG1-CE2 3.53Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.2Å; V85-T100 WeakPolarHBondContact CA-O 3.38Å; V85-T101 HydrophobicContact CG2-CG2 4.49Å
86Y96.3Very high90.9Very high3 Ų355.6 Ų55.61%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-107.1127.9-179.3-70.9-96000110L12 V29 K30 I40 L73 L75 D82 A84 G99 T100 L102L12-Y86 VanDerWaalsContact CD1-CB 3.5Å; L12-Y86 HydrophobicContact CD1-CD1 4.2Å; L12-Y86 HydrophobicContact CD1-CD2 4.18Å; L12-Y86 HydrophobicContact CD1-CG 3.7Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.36Å; K30-Y86 HydrophobicContact CB-CD1 4.28Å; K30-Y86 HydrophobicContact CB-CE1 4.03Å; K30-Y86 HydrophobicContact CD-CE1 4.08Å; K30-Y86 WeakPolarHBondContact CE-OH 3.39Å; K30-Y86 HydrophobicContact CG-CD1 4.42Å; K30-Y86 HydrophobicContact CG-CE1 3.88Å; I40-Y86 HydrophobicContact CD1-CD1 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.79Å; L73-Y86 HydrophobicContact CD2-CD1 3.97Å; L75-Y86 HydrophobicContact CD1-CD1 4.1Å; L75-Y86 HydrophobicContact CD1-CE1 3.45Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.45Å; L75-Y86 HydrophobicContact CD1-CE2 4.26Å; D82-Y86 WeakPolarHBondContact O-CE2 3.28Å; D82-Y86 PolarHBondContact O-OH 3.01Å; A84-Y86 HydrophobicContact CB-CD2 4.35Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; Y86-G99 CarbonylContact O-C 3.52Å; Y86-G99 VanDerWaalsContact O-CA 3.26Å; Y86-G99 WeakPolarHBondContact O-CA 3.26Å; Y86-T100 PolarHBondContact N-O 2.63Å; Y86-T100 PolarHBondContact O-N 3.15Å; Y86-L102 HydrophobicContact CD2-CB 3.93Å; Y86-L102 HydrophobicContact CD2-CD2 4.4Å; Y86-L102 HydrophobicContact CE2-CB 3.77Å; Y86-L102 HydrophobicContact CE2-CD2 3.73Å; Y86-L102 HydrophobicContact CE2-CG 4.38Å
87Y96Very high90.7Very high45 Ų4555.1 Ų55.118%0.17630%0.295CS..EExtended strand (participates in β ladder)trans-117.4150.3-178.4-61.6-85.9000111W28 V29 Q31 V85 W96 G97 G99W28-Y87 WeakPolarHBondContact CA-O 3.15Å; V29-Y87 PolarHBondContact N-O 2.78Å; V29-Y87 PolarHBondContact O-N 3.1Å; Q31-Y87 HydrophobicContact CB-CD2 4.31Å; Q31-Y87 HydrophobicContact CB-CE2 3.8Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.32Å; Q31-Y87 PolarHBondContact OE1-OH 2.9Å; V85-Y87 HydrophobicContact CB-CE2 3.74Å; V85-Y87 HydrophobicContact CG1-CD2 4.28Å; V85-Y87 HydrophobicContact CG1-CE1 4.02Å; V85-Y87 HydrophobicContact CG1-CE2 3.53Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.2Å; Y87-W96 HydrophobicContact CD1-CE3 4.3Å; Y87-W96 AromaticContact CG-CE3 3.96Å; Y87-W96 HydrophobicContact CG-CE3 3.96Å; Y87-W96 HydrophobicContact CG-CZ3 4.27Å; Y87-G97 WeakPolarHBondContact CD1-O 3.44Å; Y87-G99 VanDerWaalsContact CD1-CA 3.44Å; Y87-G99 VanDerWaalsContact CE1-CA 3.48Å
88C95.6Very high90.5Very high12 Ų1260.4 Ų60.48%0.08131%0.31CS..EExtended strand (participates in β ladder)trans-113.5147.6162.761.60000109.8C14 I26 H27 W28 G97C14-C88 HydrophobicContact CB-CB 3.48Å; C14-C88 VanDerWaalsContact CB-CB 3.48Å; C14-C88 WeakPolarHBondContact CB-SG 3.41Å; C14-C88 WeakPolarHBondContact SG-CB 3.36Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.79Å; I26-C88 HydrophobicContact CG2-CB 4.28Å; H27-C88 CarbonylContact O-C 3.56Å; H27-C88 WeakPolarHBondContact O-CA 3.35Å; W28-C88 HydrophobicContact CD2-CB 4.27Å; W28-C88 HydrophobicContact CE3-CB 4.12Å; W28-C88 HydrophobicContact CH2-CB 4.17Å; W28-C88 HydrophobicContact CZ2-CB 4.3Å; W28-C88 HydrophobicContact CZ3-CB 4.08Å; C88-G97 PolarHBondContact O-N 2.91Å
89A94.7Very high90.4Very high0 Ų061.6 Ų61.60%032%0.323CS..EExtended strand (participates in β ladder)trans-147.7129.8176.600000111H27 F93 Y95 W96H27-A89 PolarHBondContact N-O 2.86Å; H27-A89 PolarHBondContact O-N 3.47Å; A89-F93 HydrophobicContact CB-CD1 3.69Å; A89-F93 HydrophobicContact CB-CE1 4.25Å; A89-Y95 WeakPolarHBondContact CB-O 3.16Å; A89-W96 HydrophobicContact CB-CD2 4.09Å; A89-W96 HydrophobicContact CB-CE3 4.35Å; A89-W96 HydrophobicContact CB-CG 4.41Å
90P93.1Very high90.5Very high17 Ų1761.3 Ų61.311%0.1132%0.321CS..EExtended strand (participates in β ladder)trans-72.9153.1166.532-35.4000111F19 T24 Y25 I26 F93 Y95F19-P90 HydrophobicContact CE1-CG 4.2Å; F19-P90 HydrophobicContact CE2-CB 4.06Å; F19-P90 HydrophobicContact CE2-CG 4.48Å; F19-P90 HydrophobicContact CZ-CB 3.84Å; F19-P90 HydrophobicContact CZ-CG 3.8Å; T24-P90 HydrophobicContact CG2-CB 3.76Å; Y25-P90 WeakPolarHBondContact O-CA 3.36Å; I26-P90 HydrophobicContact CD1-CB 4.01Å; P90-F93 WeakPolarHBondContact O-CA 3.35Å; P90-F93 PolarHBondContact O-N 3.26Å; P90-Y95 WeakPolarHBondContact CD-O 3.49Å
91L86.2Confident90.7Very high69 Ų6960.7 Ų60.736%0.36131%0.314SS..THydrogen-bonded Turntrans-67139.9164.9-88.8171.7000110.3T24 Y25 F93T24-L91 PolarHBondContact OG1-N 3.24Å; T24-L91 PolarHBondContact OG1-O 2.82Å; Y25-L91 HydrophobicContact CD2-CD1 3.45Å; Y25-L91 VanDerWaalsContact CD2-CD1 3.45Å; Y25-L91 HydrophobicContact CE2-CD1 4.32Å; Y25-L91 HydrophobicContact CG-CD1 4.16Å; Y25-L91 PolarHBondContact O-N 3.24Å; Y25-L91 VanDerWaalsContact O-N 3.16Å; L91-F93 HydrophobicContact CD2-CD2 3.61Å; L91-F93 HydrophobicContact CD2-CE2 3.3Å; L91-F93 HydrophobicContact CD2-CZ 4.05Å; L91-F93 HydrophobicContact CG-CE2 4.25Å
92P83.4Confident90.8Very high87 Ų8754.5 Ų54.557%0.56529%0.285SS*.THydrogen-bonded Turncis-93.127.612.338.8-38.4000116.4D94P92-D94 VanDerWaalsContact C-N 3.35Å; P92-D94 VanDerWaalsContact CG-OD2 3.23Å; P92-D94 WeakPolarHBondContact CG-OD2 3.46Å
93F81.8Confident90.8Very high75 Ų7556.7 Ų56.733%0.32930%0.299SS..SBendtrans7413.9-175.5-52.7-82.2000116.1H27 A89 P90 L91 Y95 W96H27-F93 HydrophobicContact CB-CE1 3.64Å; H27-F93 HydrophobicContact CB-CZ 4.15Å; H27-F93 AromaticContact CD2-CE1 3.97Å; H27-F93 AromaticContact CD2-CZ 3.82Å; H27-F93 AromaticContact CE1-CZ 3.68Å; H27-F93 AromaticContact CG-CE1 3.56Å; H27-F93 AromaticContact CG-CZ 3.56Å; H27-F93 AromaticContact ND1-CE1 3.9Å; H27-F93 AromaticContact ND1-CZ 3.48Å; H27-F93 WeakPolarHBondContact ND1-CZ 3.27Å; H27-F93 AromaticContact NE2-CZ 3.94Å; A89-F93 HydrophobicContact CB-CD1 3.69Å; A89-F93 HydrophobicContact CB-CE1 4.25Å; P90-F93 WeakPolarHBondContact O-CA 3.35Å; P90-F93 PolarHBondContact O-N 3.26Å; L91-F93 HydrophobicContact CD2-CD2 3.61Å; L91-F93 HydrophobicContact CD2-CE2 3.3Å; L91-F93 HydrophobicContact CD2-CZ 4.05Å; L91-F93 HydrophobicContact CG-CE2 4.25Å; F93-Y95 PolarHBondContact O-N 2.79Å; F93-W96 HydrophobicContact CD1-CZ2 4.24Å; F93-W96 PolarHBondContact O-NE1 3.16Å; F93-W96 VanDerWaalsContact O-NE1 3.1Å
94D80.9Confident90.5Very high119 Ų11954.9 Ų54.964%0.63629%0.288SS*.SBendtrans-65.8-22174.1-64.3-22.3000112.4P92P92-D94 VanDerWaalsContact C-N 3.35Å; P92-D94 VanDerWaalsContact CG-OD2 3.23Å; P92-D94 WeakPolarHBondContact CG-OD2 3.46Å
95Y82.1Confident90Very high169 Ų16956.5 Ų56.566%0.66330%0.299SS*.  trans-125.4137-179.3-57.2-79.8000110.6A89 P90 F93A89-Y95 WeakPolarHBondContact CB-O 3.16Å; P90-Y95 WeakPolarHBondContact CD-O 3.49Å; F93-Y95 PolarHBondContact O-N 2.79Å
96W89.9Confident88.8Confident107 Ų10762.8 Ų62.841%0.40534%0.344SS..  trans-121.5141.2174.4-70.968.7000109V29 L37 Y87 A89 F93V29-W96 HydrophobicContact CB-CH2 4.25Å; V29-W96 HydrophobicContact CB-CZ3 3.9Å; V29-W96 HydrophobicContact CG1-CH2 4.22Å; V29-W96 HydrophobicContact CG1-CZ3 4.09Å; V29-W96 HydrophobicContact CG2-CH2 3.9Å; V29-W96 HydrophobicContact CG2-CZ3 3.94Å; L37-W96 HydrophobicContact CD1-CH2 4.03Å; Y87-W96 HydrophobicContact CD1-CE3 4.3Å; Y87-W96 AromaticContact CG-CE3 3.96Å; Y87-W96 HydrophobicContact CG-CE3 3.96Å; Y87-W96 HydrophobicContact CG-CZ3 4.27Å; A89-W96 HydrophobicContact CB-CD2 4.09Å; A89-W96 HydrophobicContact CB-CE3 4.35Å; A89-W96 HydrophobicContact CB-CG 4.41Å; F93-W96 HydrophobicContact CD1-CZ2 4.24Å; F93-W96 PolarHBondContact O-NE1 3.16Å; F93-W96 VanDerWaalsContact O-NE1 3.1Å
97G89Confident88.4Confident26 Ų2665.8 Ų65.827%0.26836%0.361SS..  trans-59.5160.3166.800000110.8Y87 C88 G99Y87-G97 WeakPolarHBondContact CD1-O 3.44Å; C88-G97 PolarHBondContact O-N 2.91Å; G97-G99 PolarHBondContact O-N 3.1Å
98Q90.5Very high88Confident191 Ų19166.9 Ų66.989%0.89337%0.371SS*.  trans-58.8-19.2179.4-67.1-64.7-3900113.5
99G91.9Very high87.6Confident26 Ų2669.9 Ų69.927%0.26839%0.387SS..  trans83.6144.1-176.300000111.7Y86 Y87 G97Y86-G99 CarbonylContact O-C 3.52Å; Y86-G99 VanDerWaalsContact O-CA 3.26Å; Y86-G99 WeakPolarHBondContact O-CA 3.26Å; Y87-G99 VanDerWaalsContact CD1-CA 3.44Å; Y87-G99 VanDerWaalsContact CE1-CA 3.48Å; G97-G99 PolarHBondContact O-N 3.1Å
100T93.6Very high87.2Confident50 Ų5074.1 Ų74.131%0.30741%0.409SS..EExtended strand (participates in β ladder)trans-116.5117.9174.9-56.90000109.1L12 V85 Y86 L102L12-T100 HydrophobicContact CD2-CG2 3.93Å; V85-T100 WeakPolarHBondContact CA-O 3.38Å; Y86-T100 PolarHBondContact N-O 2.63Å; Y86-T100 PolarHBondContact O-N 3.15Å; T100-L102 PolarHBondContact O-N 3.08Å
101T94.2Very high86.8Confident62 Ų6277.6 Ų77.638%0.3843%0.428SS..EExtended strand (participates in β ladder)trans-75.8118.5173.1-48.40000109.9P1 D2 V85P1-T101 VanDerWaalsContact CA-O 3.25Å; P1-T101 WeakPolarHBondContact CA-O 3.25Å; P1-T101 HydrophobicContact CB-CG2 4.38Å; D2-T101 PolarHBondContact N-O 3.25Å; V85-T101 HydrophobicContact CG2-CG2 4.49Å
102L91.9Very high86.9Confident0 Ų078.2 Ų78.20%043%0.433CS..EExtended strand (participates in β ladder)trans-105.4130.7171.6-175.963.7000108.9D2 V4 I10 L75 L78 T83 A84 Y86 T100 V104D2-L102 HydrophobicContact CB-CD1 4.23Å; V4-L102 HydrophobicContact CG1-CD1 4.01Å; V4-L102 HydrophobicContact CG2-CD1 3.72Å; V4-L102 HydrophobicContact CG2-CG 4.34Å; I10-L102 HydrophobicContact CD1-CD1 3.63Å; I10-L102 HydrophobicContact CG2-CD1 4.24Å; I10-L102 HydrophobicContact CG2-CD2 4.07Å; L75-L102 HydrophobicContact CD1-CD2 4.22Å; L78-L102 HydrophobicContact CD1-CD2 4.26Å; L78-L102 HydrophobicContact CD2-CD2 4.04Å; T83-L102 WeakPolarHBondContact CA-O 3.24Å; A84-L102 PolarHBondContact N-O 2.91Å; A84-L102 VanDerWaalsContact N-O 3.11Å; A84-L102 PolarHBondContact O-N 3.41Å; Y86-L102 HydrophobicContact CD2-CB 3.93Å; Y86-L102 HydrophobicContact CD2-CD2 4.4Å; Y86-L102 HydrophobicContact CE2-CB 3.77Å; Y86-L102 HydrophobicContact CE2-CD2 3.73Å; Y86-L102 HydrophobicContact CE2-CG 4.38Å; T100-L102 PolarHBondContact O-N 3.08Å; L102-V104 HydrophobicContact CG-CG2 4.47Å
103T91.7Very high87.1Confident50 Ų5077.6 Ų77.631%0.30742%0.423SS..EExtended strand (participates in β ladder)trans-123118.2173.9-57.20000108.9D2 L3 V4 T83D2-T103 PolarHBondContact O-N 3.35Å; L3-T103 WeakPolarHBondContact CA-O 3.37Å; L3-T103 HydrophobicContact CD1-CG2 3.93Å; V4-T103 PolarHBondContact N-O 2.9Å; T83-T103 HydrophobicContact CG2-CG2 4.36Å
104V88.1Confident87.5Confident8 Ų877.8 Ų77.85%0.04843%0.43CS..EExtended strand (participates in β ladder)trans-96.7121174.8-169.50000107.8V4 P6 L78 T79 D82 T83 L102V4-V104 HydrophobicContact CG2-CB 4.2Å; V4-V104 HydrophobicContact CG2-CG1 4.32Å; V4-V104 HydrophobicContact CG2-CG2 3.72Å; V4-V104 WeakPolarHBondContact O-CA 3.4Å; P6-V104 HydrophobicContact CG-CG1 4.3Å; L78-V104 HydrophobicContact CB-CG1 4.28Å; L78-V104 HydrophobicContact CB-CG2 4.08Å; T79-V104 WeakPolarHBondContact O-CB 3.37Å; T79-V104 VanDerWaalsContact O-CG2 3.28Å; T79-V104 WeakPolarHBondContact O-CG2 3.35Å; D82-V104 HydrophobicContact CB-CG2 4.05Å; T83-V104 PolarHBondContact OG1-N 2.8Å; L102-V104 HydrophobicContact CG-CG2 4.47Å
105S84.3Confident88.1Confident38 Ų3874.3 Ų74.327%0.26641%0.413SS..  trans-63.3146.4177.862.80000110.4V4 P6V4-S105 PolarHBondContact O-N 2.64Å; P6-S105 WeakPolarHBondContact CD-O 2.92Å; P6-S105 WeakPolarHBondContact CD-OG 3.39Å; P6-S105 WeakPolarHBondContact CG-O 3.29Å
106S69.5Low88.6Confident165 Ų16565.7 Ų65.7100%1.15439%0.391SS*.  trans-790174.557.80000112.5

Retrieved 106 of 106 residues in 21.9 ms (Link to these results)