X5J4Z3_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4Z3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 115 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
1A81.1Confident94.3Very high116 Ų11674.9 Ų74.996%0.95945%0.453SS*.  0141.1000000107.9S110A1-S110 CarbonylContact C-O 3.42Å; A1-S110 WeakPolarHBondContact CA-O 3.37Å
2E90Very high94.6Very high71 Ų7169.3 Ų69.333%0.33242%0.418SS..EExtended strand (participates in β ladder)trans-127.1126.4-173.6-154.7168.2152.400110.3V4 V10 S110 V111 T112E2-V4 HydrophobicContact CG-CG1 3.92Å; E2-V10 HydrophobicContact CG-CG2 4.37Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.2Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.34Å; E2-S110 PolarHBondContact N-O 2.8Å; E2-V111 HydrophobicContact CB-CG2 4.43Å; E2-V111 CarbonylContact O-C 3.5Å; E2-V111 WeakPolarHBondContact O-CA 3.3Å; E2-T112 PolarHBondContact O-N 3.15Å
3L94.6Very high94.9Very high125 Ų12569.5 Ų69.565%0.65443%0.425SS*.EExtended strand (participates in β ladder)trans-106.5119.1176.9-178.365.2000108.4T112 S114L3-T112 WeakPolarHBondContact CA-O 3.41Å; L3-T112 HydrophobicContact CD1-CG2 3.83Å; L3-S114 WeakPolarHBondContact CD1-OG 3.32Å
4V95.6Very high95Very high17 Ų1765.9 Ų65.910%0.10340%0.404CS..EExtended strand (participates in β ladder)trans-133.8153.5-172.8-61.80000111.3E2 A8 L78 V111 T112 V113 S114E2-V4 HydrophobicContact CG-CG1 3.92Å; V4-A8 HydrophobicContact CB-CB 4.32Å; V4-L78 HydrophobicContact CB-CD1 4.39Å; V4-L78 HydrophobicContact CG2-CD1 3.44Å; V4-L78 VanDerWaalsContact CG2-CD1 3.44Å; V4-V111 HydrophobicContact CG2-CG1 4.19Å; V4-T112 PolarHBondContact N-O 3.28Å; V4-V113 HydrophobicContact CG2-CB 4.39Å; V4-V113 HydrophobicContact CG2-CG1 4.46Å; V4-V113 HydrophobicContact CG2-CG2 3.83Å; V4-V113 WeakPolarHBondContact O-CA 3.38Å; V4-S114 PolarHBondContact O-N 2.63Å
5K95.7Very high95.1Very high149 Ų14967.5 Ų67.565%0.64841%0.414SS*.  trans-82.1152176.1-65.9-175.6178.9-175.80110.8G7 A8K5-G7 PolarHBondContact O-N 3.17Å; K5-A8 WeakPolarHBondContact O-CB 3.46Å; K5-A8 PolarHBondContact O-N 3.26Å; K5-A8 VanDerWaalsContact O-N 3.12Å
6P96.8Very high94.9Very high75 Ų7563.9 Ų63.949%0.48739%0.393SS..THydrogen-bonded Turntrans-52.3139.5170.1-25.534000112A8 L78 V113P6-A8 VanDerWaalsContact C-N 3.26Å; P6-A8 PolarHBondContact O-N 2.8Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.26Å; P6-V113 HydrophobicContact CB-CG1 4.41Å; P6-V113 HydrophobicContact CG-CG1 4.15Å
7G95.4Very high94.6Very high52 Ų5266.6 Ų66.654%0.53642%0.415SS..THydrogen-bonded Turntrans83-12.2-176.500000114.9K5 L78K5-G7 PolarHBondContact O-N 3.17Å; G7-L78 PolarHBondContact N-O 2.85Å
8A96.4Very high94.3Very high34 Ų3467.7 Ų67.728%0.28144%0.442SS..  trans-69.5169.3175.600000112.1V4 K5 P6 S77 L78V4-A8 HydrophobicContact CB-CB 4.32Å; K5-A8 WeakPolarHBondContact O-CB 3.46Å; K5-A8 PolarHBondContact O-N 3.26Å; K5-A8 VanDerWaalsContact O-N 3.12Å; P6-A8 VanDerWaalsContact C-N 3.26Å; P6-A8 PolarHBondContact O-N 2.8Å; A8-S77 PolarHBondContact O-N 2.9Å; A8-L78 WeakPolarHBondContact O-CB 3.43Å; A8-L78 WeakPolarHBondContact O-CG 3.14Å; A8-L78 PolarHBondContact O-N 2.9Å
9S97Very high93.8Very high65 Ų6567.8 Ų67.846%0.45543%0.434SS..  trans-117.4148.2171.3-56.10000110L75 S76S9-L75 CarbonylContact C-O 3.59Å; S9-L75 WeakPolarHBondContact CA-O 3.48Å; S9-L75 VanDerWaalsContact CB-O 3.31Å; S9-L75 WeakPolarHBondContact CB-O 3.12Å; S9-S76 WeakPolarHBondContact OG-CA 3.28Å
10V97.3Very high93.7Very high3 Ų368 Ų682%0.01843%0.432CS..EExtended strand (participates in β ladder)trans-122.9147.3175.659.40000109.7E2 L12 Q74 L75 L78 V111E2-V10 HydrophobicContact CG-CG2 4.37Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.2Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.34Å; V10-L12 HydrophobicContact CG2-CD2 3.64Å; V10-L12 HydrophobicContact CG2-CG 4.13Å; V10-Q74 CarbonylContact O-C 3.38Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.2Å; V10-L75 HydrophobicContact CG1-CB 3.8Å; V10-L75 HydrophobicContact CG1-CD1 4Å; V10-L75 HydrophobicContact CG1-CG 4.32Å; V10-L75 PolarHBondContact N-O 3.09Å; V10-L75 PolarHBondContact O-N 3.24Å; V10-L78 HydrophobicContact CB-CD1 4.12Å; V10-L78 HydrophobicContact CG1-CD1 3.74Å; V10-L78 HydrophobicContact CG1-CD2 4.33Å; V10-L78 HydrophobicContact CG1-CG 4.49Å; V10-V111 HydrophobicContact CG1-CG1 4.47Å
11K97.9Very high93.7Very high117 Ų11764.8 Ų64.851%0.50941%0.411SS..EExtended strand (participates in β ladder)trans-123.1111170.1-174.7179.2178.3-177.90109.8Y72 L73K11-Y72 HydrophobicContact CD-CD1 4.47Å; K11-Y72 HydrophobicContact CG-CD1 4.49Å; K11-L73 CarbonylContact C-O 3.56Å; K11-L73 WeakPolarHBondContact CA-O 2.95Å
12L98.1Very high94.2Very high7 Ų763.4 Ų63.44%0.03738%0.384CS..EExtended strand (participates in β ladder)trans-91.2149.9174.6-54.2-178.2000110.1V10 W28 Y72 L73 Y86 T109 V111V10-L12 HydrophobicContact CG2-CD2 3.64Å; V10-L12 HydrophobicContact CG2-CG 4.13Å; L12-W28 HydrophobicContact CB-CH2 3.8Å; L12-W28 HydrophobicContact CB-CZ3 3.85Å; L12-W28 HydrophobicContact CD1-CZ3 4.24Å; L12-Y72 CarbonylContact O-C 3.47Å; L12-Y72 WeakPolarHBondContact O-CA 3.3Å; L12-L73 HydrophobicContact CB-CB 4.49Å; L12-L73 HydrophobicContact CD1-CD2 4.4Å; L12-L73 PolarHBondContact N-O 3.11Å; L12-L73 PolarHBondContact O-N 3.23Å; L12-Y86 VanDerWaalsContact CD1-CB 3.42Å; L12-Y86 HydrophobicContact CD1-CD1 4.37Å; L12-Y86 HydrophobicContact CD1-CD2 4.2Å; L12-Y86 HydrophobicContact CD1-CG 3.75Å; L12-T109 HydrophobicContact CD2-CG2 3.95Å; L12-V111 HydrophobicContact CD1-CG2 4.19Å; L12-V111 HydrophobicContact CD2-CG2 3.98Å
13S97.5Very high94.2Very high72 Ų7264.6 Ų64.650%0.50339%0.393SS..EExtended strand (participates in β ladder)trans-124.6151.2174.960.20000111.3A71S13-A71 CarbonylContact C-O 3.58Å; S13-A71 WeakPolarHBondContact CA-O 3.31Å
14C96.8Very high94Very high19 Ų1959.1 Ų59.113%0.12836%0.364CS..EExtended strand (participates in β ladder)trans-140.8111.4173.2178.60000109.2W28 T70 A71 C88C14-W28 HydrophobicContact CB-CH2 3.98Å; C14-W28 HydrophobicContact CB-CZ2 4.04Å; C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.37Å; C14-A71 PolarHBondContact N-O 3.08Å; C14-A71 PolarHBondContact O-N 2.86Å; C14-C88 HydrophobicContact CB-CB 3.39Å; C14-C88 WeakPolarHBondContact CB-SG 3.35Å; C14-C88 WeakPolarHBondContact SG-CB 3.32Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.39Å
15T96.3Very high93.9Very high91 Ų9160.6 Ų60.656%0.55837%0.368SS*.EExtended strand (participates in β ladder)trans-95.1119.6-179.5-55.80000109.5T70T15-T70 WeakPolarHBondContact CB-OG1 3.24Å; T15-T70 WeakPolarHBondContact CG2-OG1 3.48Å; T15-T70 PolarHBondContact OG1-OG1 2.78Å
16A91.9Very high93.9Very high10 Ų1053.7 Ų53.78%0.08334%0.338CS..  trans-69.2135.6172.600000109.7F19 I21 N69A16-F19 HydrophobicContact CB-CD2 4.15Å; A16-F19 HydrophobicContact CB-CE1 3.96Å; A16-F19 HydrophobicContact CB-CE2 3.48Å; A16-F19 VanDerWaalsContact CB-CE2 3.48Å; A16-F19 HydrophobicContact CB-CZ 3.38Å; A16-I21 HydrophobicContact CB-CB 4.14Å; A16-I21 HydrophobicContact CB-CD1 4.35Å; A16-I21 HydrophobicContact CB-CG1 4.22Å; A16-N69 WeakPolarHBondContact CB-ND2 3.32Å; A16-N69 PolarHBondContact N-O 3.19Å; A16-N69 PolarHBondContact O-ND2 2.97Å
17S90.6Very high93.9Very high109 Ų10951 Ų5176%0.76232%0.319SS*.  trans-129.4134.2-179.7-175.10000109.6F19S17-F19 VanDerWaalsContact C-N 3.31Å; S17-F19 WeakPolarHBondContact O-CD1 3.05Å; S17-F19 PolarHBondContact O-N 2.97Å
18G88Confident94Very high87 Ų8748.8 Ų48.890%0.89730%0.295SS*.SBendtrans83.5-3.7-179.100000115.5
19F85.8Confident94.1Very high69 Ų6947.3 Ų47.330%0.30328%0.282SS..SBendtrans-148.2165.2175.164.3-87.1000111.6A16 S17 T24 N69 D90A16-F19 HydrophobicContact CB-CD2 4.15Å; A16-F19 HydrophobicContact CB-CE1 3.96Å; A16-F19 HydrophobicContact CB-CE2 3.48Å; A16-F19 VanDerWaalsContact CB-CE2 3.48Å; A16-F19 HydrophobicContact CB-CZ 3.38Å; S17-F19 VanDerWaalsContact C-N 3.31Å; S17-F19 WeakPolarHBondContact O-CD1 3.05Å; S17-F19 PolarHBondContact O-N 2.97Å; F19-T24 HydrophobicContact CD2-CG2 3.75Å; F19-T24 HydrophobicContact CE2-CG2 3.56Å; F19-N69 PolarHBondContact O-ND2 2.77Å; F19-D90 HydrophobicContact CZ-CB 4.48Å; F19-D90 WeakPolarHBondContact CZ-OD2 3.25Å
20N91.2Very high94.1Very high72 Ų7244.2 Ų44.239%0.38526%0.261SS..  trans-87.2122.4174.4179.8-3.2000109.5K22 D23N20-K22 PolarHBondContact O-N 2.9Å; N20-K22 WeakPolarHBondContact OD1-CB 3.37Å; N20-K22 WeakPolarHBondContact OD1-CG 3.4Å; N20-K22 PolarHBondContact OD1-N 2.82Å; N20-K22 VanDerWaalsContact OD1-N 3.12Å; N20-D23 WeakPolarHBondContact CB-OD2 3.44Å; N20-D23 PolarHBondContact O-N 2.81Å
21I93.5Very high94.1Very high0 Ų047.3 Ų47.30%028%0.275CS..G310 helixtrans-57.6-25.7-177.2-158.1168.4000112.2A16 D23 T24 M26 P45 T66 N69 A71A16-I21 HydrophobicContact CB-CB 4.14Å; A16-I21 HydrophobicContact CB-CD1 4.35Å; A16-I21 HydrophobicContact CB-CG1 4.22Å; I21-D23 PolarHBondContact O-N 2.78Å; I21-T24 PolarHBondContact O-N 3.05Å; I21-T24 PolarHBondContact O-OG1 3.02Å; I21-M26 HydrophobicContact CD1-CG 3.82Å; I21-M26 HydrophobicContact CD1-SD 4.21Å; I21-M26 HydrophobicContact CG1-CG 3.57Å; I21-M26 HydrophobicContact CG1-SD 3.86Å; I21-P45 HydrophobicContact CG1-CG 4Å; I21-P45 HydrophobicContact CG2-CB 4.16Å; I21-P45 WeakPolarHBondContact O-CG 3.34Å; I21-T66 HydrophobicContact CG2-CG2 4.22Å; I21-N69 WeakPolarHBondContact CB-OD1 2.99Å; I21-N69 VanDerWaalsContact CG2-OD1 3.25Å; I21-N69 WeakPolarHBondContact CG2-OD1 2.98Å; I21-N69 PolarHBondContact N-OD1 3.12Å; I21-A71 HydrophobicContact CD1-CB 4.1Å
22K92.7Very high93.8Very high87 Ų8744.4 Ų44.438%0.37826%0.261SS..G310 helixtrans-63.7-21.6176-66.8-173.7-174.2-176.30113.8N20 T24 V46 T66N20-K22 PolarHBondContact O-N 2.9Å; N20-K22 WeakPolarHBondContact OD1-CB 3.37Å; N20-K22 WeakPolarHBondContact OD1-CG 3.4Å; N20-K22 PolarHBondContact OD1-N 2.82Å; N20-K22 VanDerWaalsContact OD1-N 3.12Å; K22-T24 PolarHBondContact O-N 3.09Å; K22-V46 HydrophobicContact CB-CG2 3.99Å; K22-V46 WeakPolarHBondContact O-CG2 3.47Å; K22-T66 HydrophobicContact CD-CG2 4.3Å; K22-T66 WeakPolarHBondContact CE-OG1 3.34Å; K22-T66 HydrophobicContact CG-CG2 3.76Å
23D90.2Very high93.1Very high97 Ų9748.8 Ų48.852%0.51929%0.29SS..G310 helixtrans-88.78.2-179.3-55.8-34.3000111.9N20 I21 I93N20-D23 WeakPolarHBondContact CB-OD2 3.44Å; N20-D23 PolarHBondContact O-N 2.81Å; I21-D23 PolarHBondContact O-N 2.78Å; D23-I93 PolarHBondContact O-N 3.2Å
24T90.2Very high92.5Very high9 Ų955.2 Ų55.26%0.05531%0.311CS..EExtended strand (participates in β ladder)trans-136.8152.8-173.464.70000112.5F19 I21 K22 P45 D90 T91 I93F19-T24 HydrophobicContact CD2-CG2 3.75Å; F19-T24 HydrophobicContact CE2-CG2 3.56Å; I21-T24 PolarHBondContact O-N 3.05Å; I21-T24 PolarHBondContact O-OG1 3.02Å; K22-T24 PolarHBondContact O-N 3.09Å; T24-P45 WeakPolarHBondContact O-CD 3.39Å; T24-D90 HydrophobicContact CG2-CB 4.34Å; T24-T91 CarbonylContact C-O 3.58Å; T24-T91 VanDerWaalsContact CA-O 3.27Å; T24-T91 WeakPolarHBondContact CA-O 3.23Å; T24-I93 VanDerWaalsContact C-CD1 3.48Å
25Y93.6Very high91.9Very high49 Ų4959 Ų5919%0.19233%0.327CS..EExtended strand (participates in β ladder)trans-84.6131.8156.1-68.1-48000109.4H27 R42 D44 D90 T91 I93Y25-H27 WeakPolarHBondContact CB-NE2 3.25Å; Y25-H27 PolarHBondContact O-CD2 2.7Å; Y25-R42 VanDerWaalsContact CD1-NH1 3.26Å; Y25-R42 VanDerWaalsContact CE1-NH1 3.3Å; Y25-D44 HydrophobicContact CD1-CB 3.9Å; Y25-D44 HydrophobicContact CE1-CB 3.65Å; Y25-D90 VanDerWaalsContact O-CA 3.31Å; Y25-D90 WeakPolarHBondContact O-CA 3.02Å; Y25-T91 PolarHBondContact N-O 2.93Å; Y25-T91 PolarHBondContact O-N 2.88Å; Y25-T91 VanDerWaalsContact O-N 3.08Å; Y25-I93 HydrophobicContact CD1-CD1 3.82Å; Y25-I93 HydrophobicContact CD1-CG1 4.2Å; Y25-I93 HydrophobicContact CD2-CD1 4.47Å; Y25-I93 HydrophobicContact CD2-CG1 3.96Å; Y25-I93 HydrophobicContact CE1-CD1 3.64Å; Y25-I93 HydrophobicContact CE1-CG1 4.1Å; Y25-I93 HydrophobicContact CE2-CD1 4.36Å; Y25-I93 HydrophobicContact CE2-CG1 3.9Å; Y25-I93 HydrophobicContact CG-CD1 4.22Å; Y25-I93 HydrophobicContact CG-CG1 4.11Å
26M95.3Very high91.6Very high3 Ų357.2 Ų57.22%0.01533%0.328CS..EExtended strand (participates in β ladder)trans-100.2115.2176.4-67.6-59.7-52.700109.8I21 R42 I43 P45 A71 C88 D90I21-M26 HydrophobicContact CD1-CG 3.82Å; I21-M26 HydrophobicContact CD1-SD 4.21Å; I21-M26 HydrophobicContact CG1-CG 3.57Å; I21-M26 HydrophobicContact CG1-SD 3.86Å; M26-R42 CarbonylContact O-C 3.57Å; M26-R42 WeakPolarHBondContact O-CA 3.02Å; M26-R42 WeakPolarHBondContact O-CB 3.25Å; M26-I43 HydrophobicContact CB-CG2 3.88Å; M26-I43 PolarHBondContact N-O 3.03Å; M26-I43 PolarHBondContact O-N 3.41Å; M26-P45 HydrophobicContact CG-CG 4.16Å; M26-A71 HydrophobicContact CB-CB 3.95Å; M26-A71 HydrophobicContact CE-CB 4.35Å; M26-A71 HydrophobicContact CG-CB 4.06Å; M26-C88 HydrophobicContact CE-CB 4.32Å; M26-D90 HydrophobicContact SD-CB 3.85Å
27H96.8Very high91.8Very high19 Ų1961.4 Ų61.49%0.08835%0.348CS..EExtended strand (participates in β ladder)trans-98.5150.4-178.9-64.6-107000110.9Y25 W39 G41 C88 A89 M102Y25-H27 WeakPolarHBondContact CB-NE2 3.25Å; Y25-H27 PolarHBondContact O-CD2 2.7Å; H27-W39 AromaticContact CG-NE1 3.93Å; H27-W39 AromaticContact ND1-CE2 3.93Å; H27-W39 AromaticContact ND1-NE1 3.15Å; H27-W39 PolarHBondContact ND1-NE1 2.87Å; H27-W39 VanDerWaalsContact ND1-NE1 3.15Å; H27-G41 WeakPolarHBondContact CA-O 3.39Å; H27-C88 CarbonylContact O-C 3.52Å; H27-C88 VanDerWaalsContact O-CA 3.24Å; H27-C88 WeakPolarHBondContact O-CA 3.47Å; H27-A89 HydrophobicContact CB-CB 4.43Å; H27-A89 PolarHBondContact N-O 2.78Å; H27-A89 PolarHBondContact O-N 2.87Å; H27-M102 HydrophobicContact CB-CE 3.77Å; H27-M102 HydrophobicContact CB-SD 4.02Å; H27-M102 VanDerWaalsContact ND1-CE 3.25Å; H27-M102 WeakPolarHBondContact ND1-CE 3.47Å
28W98Very high92Very high5 Ų557.8 Ų57.82%0.01932%0.319CS..EExtended strand (participates in β ladder)trans-122.4136.1170.2-72.893.2000110.1L12 C14 I40 G41 L73 Y87 C88L12-W28 HydrophobicContact CB-CH2 3.8Å; L12-W28 HydrophobicContact CB-CZ3 3.85Å; L12-W28 HydrophobicContact CD1-CZ3 4.24Å; C14-W28 HydrophobicContact CB-CH2 3.98Å; C14-W28 HydrophobicContact CB-CZ2 4.04Å; W28-I40 HydrophobicContact CB-CB 4.16Å; W28-I40 HydrophobicContact CB-CD1 4.28Å; W28-I40 WeakPolarHBondContact O-CB 3.44Å; W28-I40 PolarHBondContact O-N 3.33Å; W28-G41 PolarHBondContact N-O 3.03Å; W28-L73 HydrophobicContact CB-CD2 4.14Å; W28-L73 HydrophobicContact CD2-CB 3.4Å; W28-L73 VanDerWaalsContact CD2-CB 3.4Å; W28-L73 HydrophobicContact CD2-CD2 3.86Å; W28-L73 HydrophobicContact CD2-CG 4.19Å; W28-L73 VanDerWaalsContact CE2-CB 3.43Å; W28-L73 HydrophobicContact CE3-CB 3.66Å; W28-L73 HydrophobicContact CE3-CD2 3.61Å; W28-L73 HydrophobicContact CE3-CG 4.28Å; W28-L73 HydrophobicContact CG-CB 3.91Å; W28-L73 HydrophobicContact CG-CD2 4.1Å; W28-L73 HydrophobicContact CG-CG 4.4Å; W28-L73 HydrophobicContact CH2-CB 3.94Å; W28-L73 HydrophobicContact CZ2-CB 3.72Å; W28-L73 HydrophobicContact CZ3-CB 3.91Å; W28-L73 HydrophobicContact CZ3-CD2 4.28Å; W28-Y87 WeakPolarHBondContact CA-O 3.36Å; W28-C88 HydrophobicContact CE3-CB 4.38Å; W28-C88 HydrophobicContact CH2-CB 4.42Å; W28-C88 HydrophobicContact CZ3-CB 4.34Å
29V97.6Very high92.4Very high3 Ų357.4 Ų57.42%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-136.8135.4-174.1-176.30000109.5L37 E38 Y86 Y87 M102 W105V29-L37 HydrophobicContact CG1-CB 3.78Å; V29-L37 HydrophobicContact CG1-CD2 3.89Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; V29-E38 CarbonylContact C-O 3.56Å; V29-E38 WeakPolarHBondContact CA-O 3.05Å; V29-E38 WeakPolarHBondContact CG1-O 3.49Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.38Å; V29-Y87 PolarHBondContact N-O 2.96Å; V29-Y87 PolarHBondContact O-N 2.98Å; V29-M102 HydrophobicContact CG2-CE 4.35Å; V29-M102 HydrophobicContact CG2-SD 3.99Å; V29-W105 HydrophobicContact CB-CH2 4.05Å; V29-W105 HydrophobicContact CB-CZ3 3.87Å; V29-W105 HydrophobicContact CG1-CH2 3.96Å; V29-W105 HydrophobicContact CG1-CZ3 3.98Å; V29-W105 HydrophobicContact CG2-CH2 3.72Å; V29-W105 HydrophobicContact CG2-CZ3 3.95Å
30K96.9Very high93Very high1 Ų154.1 Ų54.10%0.00428%0.276CS..EExtended strand (participates in β ladder)trans-102.4136.6175.3180-179.1-179.3179.20109.7E38 I40 F56 E81 D82 A84 Y86K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 3.45Å; K30-E38 PolarHBondContact O-N 2.84Å; K30-I40 HydrophobicContact CB-CD1 4.05Å; K30-I40 HydrophobicContact CB-CG1 4.16Å; K30-F56 HydrophobicContact CB-CZ 4.43Å; K30-F56 HydrophobicContact CD-CE1 3.89Å; K30-F56 HydrophobicContact CD-CZ 4Å; K30-E81 WeakPolarHBondContact CE-O 3.34Å; K30-E81 PolarHBondContact NZ-O 2.84Å; K30-D82 IonicContact NZ-OD1 3.07Å; K30-D82 PolarHBondContact NZ-OD1 3.29Å; K30-A84 HydrophobicContact CD-CB 4.26Å; K30-A84 HydrophobicContact CG-CB 3.55Å; K30-Y86 HydrophobicContact CB-CD1 4.22Å; K30-Y86 HydrophobicContact CB-CE1 3.94Å; K30-Y86 HydrophobicContact CD-CE1 4.05Å; K30-Y86 WeakPolarHBondContact CE-OH 3.03Å; K30-Y86 HydrophobicContact CG-CD1 4.43Å; K30-Y86 HydrophobicContact CG-CE1 3.83Å
31Q96.7Very high93.3Very high68 Ų6850.7 Ų50.732%0.31826%0.258SS..EExtended strand (participates in β ladder)trans-126.1114.2171.4-170.4-176.833.500109.7L37 A84 V85 Y87Q31-L37 HydrophobicContact CB-CD2 3.92Å; Q31-L37 HydrophobicContact CG-CD2 4.04Å; Q31-A84 WeakPolarHBondContact O-CA 3.21Å; Q31-A84 WeakPolarHBondContact O-CB 3.39Å; Q31-V85 PolarHBondContact N-O 2.58Å; Q31-V85 PolarHBondContact O-N 2.8Å; Q31-Y87 HydrophobicContact CB-CD2 4.32Å; Q31-Y87 HydrophobicContact CB-CE2 3.69Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.25Å; Q31-Y87 PolarHBondContact OE1-OH 2.78Å
32R92.8Very high93.4Very high56 Ų5652 Ų5221%0.21126%0.263CS..  trans-83.7151.1170.2-53.8-165.7-172.4101.217109.9E34 Q35 E38 E81 A84R32-E34 PolarHBondContact O-N 2.79Å; R32-Q35 HydrophobicContact CB-CB 4.07Å; R32-Q35 HydrophobicContact CB-CG 4.34Å; R32-Q35 PolarHBondContact O-N 2.76Å; R32-Q35 VanDerWaalsContact O-N 3.15Å; R32-E38 IonicContact CZ-OE2 2.78Å; R32-E38 IonicContact NE-OE2 3.66Å; R32-E38 IonicContact NH1-OE1 3.29Å; R32-E38 IonicContact NH1-OE2 3.81Å; R32-E38 PolarHBondContact NH1-OE2 2.97Å; R32-E38 IonicContact NH2-OE1 3.89Å; R32-E38 IonicContact NH2-OE2 3.19Å; R32-E38 PolarHBondContact NH2-OE2 2.96Å; R32-E81 PolarHBondContact NE-O 3.46Å; R32-A84 HydrophobicContact CG-CB 4.34Å
33P83.2Confident93.6Very high99 Ų9948.2 Ų48.264%0.64325%0.246SC*.THydrogen-bonded Turntrans-50.8130.5164.4-22.233.3000109.1Q35P33-Q35 PolarHBondContact O-N 2.93Å
34E84.6Confident93.9Very high206 Ų20644.2 Ų44.296%0.96323%0.225SC*.THydrogen-bonded Turntrans68.73.6178.2-47.8-179.6172.200116.7R32R32-E34 PolarHBondContact O-N 2.79Å
35Q85.2Confident94.1Very high98 Ų9844.3 Ų44.346%0.45823%0.226SC..SBendtrans-116.9158.7172.5-61.3179.91.700111.5R32 P33R32-Q35 HydrophobicContact CB-CB 4.07Å; R32-Q35 HydrophobicContact CB-CG 4.34Å; R32-Q35 PolarHBondContact O-N 2.76Å; R32-Q35 VanDerWaalsContact O-N 3.15Å; P33-Q35 PolarHBondContact O-N 2.93Å
36G89.7Confident94.1Very high55 Ų5546.5 Ų46.557%0.56724%0.244SC*.  trans-66.2179174.900000113.1
37L94.5Very high94.1Very high98 Ų9851.3 Ų51.351%0.51327%0.27SS..EExtended strand (participates in β ladder)trans-71.4125.9173.8-64171.7000110.1V29 Q31 W105V29-L37 HydrophobicContact CG1-CB 3.78Å; V29-L37 HydrophobicContact CG1-CD2 3.89Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; Q31-L37 HydrophobicContact CB-CD2 3.92Å; Q31-L37 HydrophobicContact CG-CD2 4.04Å; L37-W105 HydrophobicContact CD1-CH2 3.79Å; L37-W105 HydrophobicContact CD1-CZ2 4.45Å; L37-W105 HydrophobicContact CD1-CZ3 4.28Å; L37-W105 HydrophobicContact CD2-CZ3 4.33Å
38E96Very high94Very high33 Ų3352.3 Ų52.315%0.15429%0.285CS..EExtended strand (participates in β ladder)trans-105.6114.5172.9-62.2-171.2103.800109.1V29 K30 R32 I40 K55 F56V29-E38 CarbonylContact C-O 3.56Å; V29-E38 WeakPolarHBondContact CA-O 3.05Å; V29-E38 WeakPolarHBondContact CG1-O 3.49Å; K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 3.45Å; K30-E38 PolarHBondContact O-N 2.84Å; R32-E38 IonicContact CZ-OE2 2.78Å; R32-E38 IonicContact NE-OE2 3.66Å; R32-E38 IonicContact NH1-OE1 3.29Å; R32-E38 IonicContact NH1-OE2 3.81Å; R32-E38 PolarHBondContact NH1-OE2 2.97Å; R32-E38 IonicContact NH2-OE1 3.89Å; R32-E38 IonicContact NH2-OE2 3.19Å; R32-E38 PolarHBondContact NH2-OE2 2.96Å; E38-I40 PolarHBondContact O-N 3.37Å; E38-K55 IonicContact OE1-NZ 3.88Å; E38-F56 HydrophobicContact CB-CE2 4.3Å; E38-F56 HydrophobicContact CB-CZ 4.18Å
39W96.3Very high93.9Very high78 Ų7856.2 Ų56.230%0.29531%0.307SS..EExtended strand (participates in β ladder)trans-70.8127.8175.1-178.166.9000110.3H27 G41 R42 K51 D53 M102H27-W39 AromaticContact CG-NE1 3.93Å; H27-W39 AromaticContact ND1-CE2 3.93Å; H27-W39 AromaticContact ND1-NE1 3.15Å; H27-W39 PolarHBondContact ND1-NE1 2.87Å; H27-W39 VanDerWaalsContact ND1-NE1 3.15Å; W39-G41 VanDerWaalsContact CE2-C 3.44Å; W39-G41 VanDerWaalsContact CE2-CA 3.47Å; W39-G41 PolarHBondContact NE1-O 2.78Å; W39-G41 VanDerWaalsContact NE1-O 3.08Å; W39-R42 HydrophobicContact CZ2-CB 4.02Å; W39-R42 HydrophobicContact CZ2-CG 4.02Å; W39-K51 HydrophobicContact CH2-CB 3.96Å; W39-D53 HydrophobicContact CE3-CB 3.98Å; W39-D53 HydrophobicContact CZ3-CB 4.3Å; W39-D53 VanDerWaalsContact O-CB 3.24Å; W39-D53 WeakPolarHBondContact O-CB 3.4Å; W39-M102 VanDerWaalsContact CD1-CE 3.48Å; W39-M102 HydrophobicContact CG-CE 4.41Å
40I97.8Very high93.9Very high0 Ų058.4 Ų58.40%032%0.32CS..EExtended strand (participates in β ladder)trans-89.9-47.4-179.6-59.9177.1000110W28 K30 E38 Y52 D53 F56 A60 L73 Y86W28-I40 HydrophobicContact CB-CB 4.16Å; W28-I40 HydrophobicContact CB-CD1 4.28Å; W28-I40 WeakPolarHBondContact O-CB 3.44Å; W28-I40 PolarHBondContact O-N 3.33Å; K30-I40 HydrophobicContact CB-CD1 4.05Å; K30-I40 HydrophobicContact CB-CG1 4.16Å; E38-I40 PolarHBondContact O-N 3.37Å; I40-Y52 WeakPolarHBondContact O-CA 2.96Å; I40-D53 PolarHBondContact O-N 2.79Å; I40-F56 HydrophobicContact CB-CD2 4.34Å; I40-F56 HydrophobicContact CB-CG 4.28Å; I40-F56 HydrophobicContact CG1-CD1 4.14Å; I40-F56 HydrophobicContact CG1-CD2 4.31Å; I40-F56 HydrophobicContact CG1-CE1 4.05Å; I40-F56 HydrophobicContact CG1-CE2 4.2Å; I40-F56 HydrophobicContact CG1-CG 4.27Å; I40-F56 HydrophobicContact CG1-CZ 4.07Å; I40-F56 HydrophobicContact CG2-CB 3.84Å; I40-F56 HydrophobicContact CG2-CD1 4.16Å; I40-F56 HydrophobicContact CG2-CD2 4.4Å; I40-F56 HydrophobicContact CG2-CG 3.88Å; I40-A60 HydrophobicContact CG2-CB 3.61Å; I40-L73 HydrophobicContact CD1-CD2 3.72Å; I40-L73 HydrophobicContact CG2-CD1 4.22Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.86Å
41G97.1Very high93.8Very high0 Ų063.8 Ų63.80%034%0.343CS..EExtended strand (participates in β ladder)trans168.5179.2-172.600000112.9H27 W28 W39 K51H27-G41 WeakPolarHBondContact CA-O 3.39Å; W28-G41 PolarHBondContact N-O 3.03Å; W39-G41 VanDerWaalsContact CE2-C 3.44Å; W39-G41 VanDerWaalsContact CE2-CA 3.47Å; W39-G41 PolarHBondContact NE1-O 2.78Å; W39-G41 VanDerWaalsContact NE1-O 3.08Å; G41-K51 CarbonylContact C-O 3.58Å; G41-K51 WeakPolarHBondContact CA-O 3.44Å
42R96.5Very high93.9Very high29 Ų2963.4 Ų63.411%0.10934%0.34CS..EExtended strand (participates in β ladder)trans-138.8161.7171.472155.6177.990.2-14.4112.3Y25 M26 W39 T50 K51Y25-R42 VanDerWaalsContact CD1-NH1 3.26Å; Y25-R42 VanDerWaalsContact CE1-NH1 3.3Å; M26-R42 CarbonylContact O-C 3.57Å; M26-R42 WeakPolarHBondContact O-CA 3.02Å; M26-R42 WeakPolarHBondContact O-CB 3.25Å; W39-R42 HydrophobicContact CZ2-CB 4.02Å; W39-R42 HydrophobicContact CZ2-CG 4.02Å; R42-T50 VanDerWaalsContact O-CA 3.25Å; R42-T50 WeakPolarHBondContact O-CA 3.47Å; R42-K51 HydrophobicContact CG-CB 4.18Å; R42-K51 PolarHBondContact N-O 2.86Å; R42-K51 PolarHBondContact O-N 2.82Å
43I96.9Very high94.1Very high6 Ų662.9 Ų62.93%0.03134%0.341CS..EExtended strand (participates in β ladder)trans-124142.1166-172.5163.4000110.8M26 P45 N49 T50 I62 A64M26-I43 HydrophobicContact CB-CG2 3.88Å; M26-I43 PolarHBondContact N-O 3.03Å; M26-I43 PolarHBondContact O-N 3.41Å; I43-P45 WeakPolarHBondContact O-CD 3.42Å; I43-N49 CarbonylContact C-O 3.48Å; I43-N49 WeakPolarHBondContact CA-O 3.37Å; I43-T50 HydrophobicContact CB-CG2 3.94Å; I43-T50 HydrophobicContact CD1-CG2 3.98Å; I43-T50 HydrophobicContact CG1-CG2 3.87Å; I43-I62 HydrophobicContact CB-CG2 3.67Å; I43-I62 HydrophobicContact CG2-CG2 3.59Å; I43-A64 HydrophobicContact CD1-CB 3.97Å; I43-A64 HydrophobicContact CG2-CB 4.23Å
44D95.7Very high94.7Very high14 Ų1463.1 Ų63.18%0.07534%0.342CS..  trans-88.1106.9159.5-177.2-21.9000108.7Y25 V46 N47 G48 N49Y25-D44 HydrophobicContact CD1-CB 3.9Å; Y25-D44 HydrophobicContact CE1-CB 3.65Å; D44-V46 PolarHBondContact O-N 3.35Å; D44-V46 VanDerWaalsContact OD1-CB 3.25Å; D44-V46 WeakPolarHBondContact OD1-CB 3.41Å; D44-V46 PolarHBondContact OD1-N 2.95Å; D44-N47 WeakPolarHBondContact CB-OD1 3.41Å; D44-N47 VanDerWaalsContact CG-OD1 3.31Å; D44-N47 PolarHBondContact O-N 3.04Å; D44-N47 PolarHBondContact OD2-ND2 3.34Å; D44-N47 PolarHBondContact OD2-OD1 3.08Å; D44-G48 VanDerWaalsContact O-CA 3.23Å; D44-G48 WeakPolarHBondContact O-CA 3.26Å; D44-G48 PolarHBondContact O-N 2.89Å; D44-N49 HydrophobicContact CB-CB 4.23Å; D44-N49 PolarHBondContact N-O 2.89Å
45P95.6Very high95.2Very high11 Ų1160.4 Ų60.47%0.07133%0.327CS..THydrogen-bonded Turntrans-67.1-16-176.9-22.537.6000113.7I21 T24 M26 I43 A64 T66I21-P45 HydrophobicContact CG1-CG 4Å; I21-P45 HydrophobicContact CG2-CB 4.16Å; I21-P45 WeakPolarHBondContact O-CG 3.34Å; T24-P45 WeakPolarHBondContact O-CD 3.39Å; M26-P45 HydrophobicContact CG-CG 4.16Å; I43-P45 WeakPolarHBondContact O-CD 3.42Å; P45-A64 HydrophobicContact CB-CB 4Å; P45-A64 HydrophobicContact CG-CB 4.28Å; P45-T66 HydrophobicContact CB-CG2 3.95Å; P45-T66 VanDerWaalsContact O-CG2 3.28Å; P45-T66 WeakPolarHBondContact O-CG2 3.07Å
46V93.8Very high95.7Very high95 Ų9556 Ų5658%0.57631%0.307SS*.THydrogen-bonded Turntrans-71.3-44.2180-179.80000111.2K22 D44K22-V46 HydrophobicContact CB-CG2 3.99Å; K22-V46 WeakPolarHBondContact O-CG2 3.47Å; D44-V46 PolarHBondContact O-N 3.35Å; D44-V46 VanDerWaalsContact OD1-CB 3.25Å; D44-V46 WeakPolarHBondContact OD1-CB 3.41Å; D44-V46 PolarHBondContact OD1-N 2.95Å
47N94.3Very high95.9Very high104 Ų10460.1 Ų60.156%0.55631%0.311SS*.THydrogen-bonded Turntrans-123.4-2.4-172.358.438.4000113.5D44 N49D44-N47 WeakPolarHBondContact CB-OD1 3.41Å; D44-N47 VanDerWaalsContact CG-OD1 3.31Å; D44-N47 PolarHBondContact O-N 3.04Å; D44-N47 PolarHBondContact OD2-ND2 3.34Å; D44-N47 PolarHBondContact OD2-OD1 3.08Å; N47-N49 VanDerWaalsContact C-N 3.26Å; N47-N49 PolarHBondContact O-N 3.47Å; N47-N49 WeakPolarHBondContact OD1-CB 3.39Å; N47-N49 PolarHBondContact OD1-N 2.83Å
48G95.1Very high95.8Very high40 Ų4059 Ų5941%0.41232%0.323SS..  trans74.78.9-179.500000114.6D44 T50D44-G48 VanDerWaalsContact O-CA 3.23Å; D44-G48 WeakPolarHBondContact O-CA 3.26Å; D44-G48 PolarHBondContact O-N 2.89Å; G48-T50 PolarHBondContact O-N 2.8Å
49N95.6Very high95.8Very high87 Ų8759.5 Ų59.547%0.46533%0.325SS..  trans-65.8126-179.8-174.2-19.9000110.2I43 D44 N47I43-N49 CarbonylContact C-O 3.48Å; I43-N49 WeakPolarHBondContact CA-O 3.37Å; D44-N49 HydrophobicContact CB-CB 4.23Å; D44-N49 PolarHBondContact N-O 2.89Å; N47-N49 VanDerWaalsContact C-N 3.26Å; N47-N49 PolarHBondContact O-N 3.47Å; N47-N49 WeakPolarHBondContact OD1-CB 3.39Å; N47-N49 PolarHBondContact OD1-N 2.83Å
50T97.3Very high95.9Very high49 Ų4956 Ų5630%0.30131%0.313SS..EExtended strand (participates in β ladder)trans-113.5143.2-179.748.50000111.5R42 I43 G48 Y52 I62R42-T50 VanDerWaalsContact O-CA 3.25Å; R42-T50 WeakPolarHBondContact O-CA 3.47Å; I43-T50 HydrophobicContact CB-CG2 3.94Å; I43-T50 HydrophobicContact CD1-CG2 3.98Å; I43-T50 HydrophobicContact CG1-CG2 3.87Å; G48-T50 PolarHBondContact O-N 2.8Å; T50-Y52 HydrophobicContact CG2-CE2 4.42Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.14Å; T50-I62 HydrophobicContact CG2-CB 4.31Å
51K96.4Very high95.9Very high113 Ų11359.4 Ų59.449%0.49133%0.333SS..EExtended strand (participates in β ladder)trans-123.1141.9167.4-66.2-171178.1-173.40108.3W39 G41 R42W39-K51 HydrophobicContact CH2-CB 3.96Å; G41-K51 CarbonylContact C-O 3.58Å; G41-K51 WeakPolarHBondContact CA-O 3.44Å; R42-K51 HydrophobicContact CG-CB 4.18Å; R42-K51 PolarHBondContact N-O 2.86Å; R42-K51 PolarHBondContact O-N 2.82Å
52Y97.6Very high96Very high61 Ų6159.6 Ų59.624%0.23933%0.334CS..EExtended strand (participates in β ladder)trans-127.9151.3-179.2-63.4-86.4000110.3I40 T50 A60 I62I40-Y52 WeakPolarHBondContact O-CA 2.96Å; T50-Y52 HydrophobicContact CG2-CE2 4.42Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.14Å; Y52-A60 HydrophobicContact CD1-CB 4.45Å; Y52-A60 HydrophobicContact CE1-CB 4.29Å; Y52-A60 WeakPolarHBondContact CE1-O 3.5Å; Y52-I62 HydrophobicContact CD1-CD1 4.16Å; Y52-I62 HydrophobicContact CE1-CB 4.35Å; Y52-I62 HydrophobicContact CE1-CD1 3.68Å; Y52-I62 HydrophobicContact CE1-CG1 3.81Å; Y52-I62 PolarHBondContact OH-N 3.34Å
53D96.8Very high96Very high45 Ų4561.1 Ų61.124%0.24135%0.347CS..  trans-71.6135157.2-179.4-59.9000108.6W39 I40 K55 F56 Q57W39-D53 HydrophobicContact CE3-CB 3.98Å; W39-D53 HydrophobicContact CZ3-CB 4.3Å; W39-D53 VanDerWaalsContact O-CB 3.24Å; W39-D53 WeakPolarHBondContact O-CB 3.4Å; I40-D53 PolarHBondContact O-N 2.79Å; D53-K55 PolarHBondContact O-N 2.86Å; D53-K55 VanDerWaalsContact OD1-CB 3.26Å; D53-K55 WeakPolarHBondContact OD1-CB 3.44Å; D53-K55 VanDerWaalsContact OD1-CG 3.32Å; D53-K55 WeakPolarHBondContact OD1-CG 3.42Å; D53-K55 PolarHBondContact OD1-N 2.81Å; D53-F56 HydrophobicContact CB-CD2 4.08Å; D53-F56 PolarHBondContact O-N 2.92Å; D53-Q57 PolarHBondContact O-N 2.87Å
54P96.6Very high96.1Very high103 Ų10362.4 Ų62.467%0.66936%0.358SS*.THydrogen-bonded Turntrans-51.8-29.4-178.8-28.835.6000114.8F56 Q57P54-F56 PolarHBondContact O-N 3.22Å; P54-Q57 PolarHBondContact O-N 3.12Å
55K94.1Very high96.1Very high149 Ų14964.5 Ų64.565%0.64837%0.37SS*.THydrogen-bonded Turntrans-63.6-28.4177.9-66.9173.1177.2176.50113.5E38 D53E38-K55 IonicContact OE1-NZ 3.88Å; D53-K55 PolarHBondContact O-N 2.86Å; D53-K55 VanDerWaalsContact OD1-CB 3.26Å; D53-K55 WeakPolarHBondContact OD1-CB 3.44Å; D53-K55 VanDerWaalsContact OD1-CG 3.32Å; D53-K55 WeakPolarHBondContact OD1-CG 3.42Å; D53-K55 PolarHBondContact OD1-N 2.81Å
56F95.7Very high96.1Very high7 Ų766.3 Ų66.33%0.03138%0.38CS..THydrogen-bonded Turntrans-104.5-4.4-176.2-62.6-84.4000112.8K30 E38 I40 D53 P54 G58 K59 A60K30-F56 HydrophobicContact CB-CZ 4.43Å; K30-F56 HydrophobicContact CD-CE1 3.89Å; K30-F56 HydrophobicContact CD-CZ 4Å; E38-F56 HydrophobicContact CB-CE2 4.3Å; E38-F56 HydrophobicContact CB-CZ 4.18Å; I40-F56 HydrophobicContact CB-CD2 4.34Å; I40-F56 HydrophobicContact CB-CG 4.28Å; I40-F56 HydrophobicContact CG1-CD1 4.14Å; I40-F56 HydrophobicContact CG1-CD2 4.31Å; I40-F56 HydrophobicContact CG1-CE1 4.05Å; I40-F56 HydrophobicContact CG1-CE2 4.2Å; I40-F56 HydrophobicContact CG1-CG 4.27Å; I40-F56 HydrophobicContact CG1-CZ 4.07Å; I40-F56 HydrophobicContact CG2-CB 3.84Å; I40-F56 HydrophobicContact CG2-CD1 4.16Å; I40-F56 HydrophobicContact CG2-CD2 4.4Å; I40-F56 HydrophobicContact CG2-CG 3.88Å; D53-F56 HydrophobicContact CB-CD2 4.08Å; D53-F56 PolarHBondContact O-N 2.92Å; P54-F56 PolarHBondContact O-N 3.22Å; F56-G58 PolarHBondContact O-N 3.15Å; F56-K59 PolarHBondContact O-N 3.08Å; F56-A60 HydrophobicContact CB-CB 4.12Å; F56-A60 PolarHBondContact O-N 2.9Å
57Q94.1Very high96.2Very high141 Ų14167 Ų6766%0.65939%0.389SS*.THydrogen-bonded Turntrans-62.4128.5177.9-166.4166.5-2.100110.4D53 P54 K59D53-Q57 PolarHBondContact O-N 2.87Å; P54-Q57 PolarHBondContact O-N 3.12Å; Q57-K59 PolarHBondContact O-N 3.48Å
58G92.5Very high96.3Very high73 Ų7364.1 Ų64.175%0.75338%0.378SS*.THydrogen-bonded Turntrans84.2-17.3-174.900000114.9F56F56-G58 PolarHBondContact O-N 3.15Å
59K95.9Very high96.4Very high45 Ų4563.8 Ų63.820%0.19637%0.366CS..THydrogen-bonded Turntrans-97.9-38.5174.7-168.3171.2-165.4171.80112.9F56 Q57 L75 S76 D82F56-K59 PolarHBondContact O-N 3.08Å; Q57-K59 PolarHBondContact O-N 3.48Å; K59-L75 WeakPolarHBondContact O-CA 3.43Å; K59-S76 PolarHBondContact O-N 2.82Å; K59-S76 PolarHBondContact O-OG 3.04Å; K59-D82 WeakPolarHBondContact CE-OD1 3.37Å; K59-D82 WeakPolarHBondContact CE-OD2 3.37Å; K59-D82 IonicContact NZ-OD1 2.76Å; K59-D82 PolarHBondContact NZ-OD1 2.87Å; K59-D82 IonicContact NZ-OD2 2.58Å; K59-D82 PolarHBondContact NZ-OD2 2.88Å
60A97.9Very high96.5Very high5 Ų560 Ų604%0.04135%0.346CS..EExtended strand (participates in β ladder)trans-102.9136.3179.900000111.4I40 Y52 F56 L73 Q74 L75I40-A60 HydrophobicContact CG2-CB 3.61Å; Y52-A60 HydrophobicContact CD1-CB 4.45Å; Y52-A60 HydrophobicContact CE1-CB 4.29Å; Y52-A60 WeakPolarHBondContact CE1-O 3.5Å; F56-A60 HydrophobicContact CB-CB 4.12Å; F56-A60 PolarHBondContact O-N 2.9Å; A60-L73 HydrophobicContact CB-CD1 3.82Å; A60-Q74 CarbonylContact C-O 3.54Å; A60-Q74 WeakPolarHBondContact CA-O 3.41Å; A60-L75 HydrophobicContact CB-CD2 3.97Å
61T98.4Very high96.5Very high70 Ų7057.6 Ų57.643%0.42933%0.332SS..EExtended strand (participates in β ladder)trans-123.2116.4168.4-59.80000108.6T63 Q74T61-T63 HydrophobicContact CG2-CG2 4.25Å; T61-Q74 PolarHBondContact N-O 2.8Å; T61-Q74 PolarHBondContact O-N 2.95Å
62I98.5Very high96.6Very high5 Ų554.7 Ų54.73%0.02632%0.318CS..EExtended strand (participates in β ladder)trans-101.4130.4178.3-58.4166.2000109I43 T50 Y52 Y72 L73I43-I62 HydrophobicContact CB-CG2 3.67Å; I43-I62 HydrophobicContact CG2-CG2 3.59Å; T50-I62 HydrophobicContact CG2-CB 4.31Å; Y52-I62 HydrophobicContact CD1-CD1 4.16Å; Y52-I62 HydrophobicContact CE1-CB 4.35Å; Y52-I62 HydrophobicContact CE1-CD1 3.68Å; Y52-I62 HydrophobicContact CE1-CG1 3.81Å; Y52-I62 PolarHBondContact OH-N 3.34Å; I62-Y72 WeakPolarHBondContact CA-O 3.24Å; I62-L73 HydrophobicContact CG1-CD1 3.91Å
63T98.3Very high96.6Very high61 Ų6151.8 Ų51.837%0.37431%0.307SS..EExtended strand (participates in β ladder)trans-135.3165.3175.356.70000110.5T61 A71 Y72T61-T63 HydrophobicContact CG2-CG2 4.25Å; T63-A71 CarbonylContact O-C 3.59Å; T63-A71 WeakPolarHBondContact O-CA 3.27Å; T63-Y72 PolarHBondContact N-O 2.75Å; T63-Y72 PolarHBondContact O-N 3.37Å
64A97.7Very high96.7Very high33 Ų3354 Ų5427%0.27332%0.315SS..EExtended strand (participates in β ladder)trans-141.1142.1175.300000110.1I43 P45 T70I43-A64 HydrophobicContact CD1-CB 3.97Å; I43-A64 HydrophobicContact CG2-CB 4.23Å; P45-A64 HydrophobicContact CB-CB 4Å; P45-A64 HydrophobicContact CG-CB 4.28Å; A64-T70 WeakPolarHBondContact CA-O 3.31Å
65D97Very high96.8Very high58 Ų5849.1 Ų49.131%0.3128%0.284SS..EExtended strand (participates in β ladder)trans-114.6108.8169.6175.19.5000108.6S67 S68 N69 T70 Y72D65-S67 VanDerWaalsContact C-N 3.28Å; D65-S67 PolarHBondContact O-N 2.91Å; D65-S67 WeakPolarHBondContact OD1-CB 3.27Å; D65-S67 PolarHBondContact OD1-N 3.24Å; D65-S67 PolarHBondContact OD1-OG 3Å; D65-S67 PolarHBondContact OD2-OG 3.35Å; D65-S68 WeakPolarHBondContact CB-OG 3.08Å; D65-S68 PolarHBondContact OD1-N 3.26Å; D65-S68 WeakPolarHBondContact OD2-CB 3.47Å; D65-S68 PolarHBondContact OD2-OG 2.98Å; D65-N69 PolarHBondContact O-N 3.4Å; D65-T70 PolarHBondContact N-O 3.26Å; D65-T70 PolarHBondContact O-N 2.84Å; D65-Y72 HydrophobicContact CB-CE2 3.99Å
66T95.8Very high96.9Very high49 Ų4943.7 Ų43.730%0.30127%0.265SS..THydrogen-bonded Turntrans-77.9-14.6-177.566.30000113.4I21 K22 P45I21-T66 HydrophobicContact CG2-CG2 4.22Å; K22-T66 HydrophobicContact CD-CG2 4.3Å; K22-T66 WeakPolarHBondContact CE-OG1 3.34Å; K22-T66 HydrophobicContact CG-CG2 3.76Å; P45-T66 HydrophobicContact CB-CG2 3.95Å; P45-T66 VanDerWaalsContact O-CG2 3.28Å; P45-T66 WeakPolarHBondContact O-CG2 3.07Å
67S95.3Very high96.9Very high108 Ų10847.3 Ų47.376%0.75529%0.29SS*.THydrogen-bonded Turntrans-76.5-36.8174.972.20000111.6D65D65-S67 VanDerWaalsContact C-N 3.28Å; D65-S67 PolarHBondContact O-N 2.91Å; D65-S67 WeakPolarHBondContact OD1-CB 3.27Å; D65-S67 PolarHBondContact OD1-N 3.24Å; D65-S67 PolarHBondContact OD1-OG 3Å; D65-S67 PolarHBondContact OD2-OG 3.35Å
68S96.5Very high97Very high45 Ų4540.6 Ų40.632%0.31526%0.259SS..THydrogen-bonded Turntrans-97.36.9175.662.80000113.6D65 T70D65-S68 WeakPolarHBondContact CB-OG 3.08Å; D65-S68 PolarHBondContact OD1-N 3.26Å; D65-S68 WeakPolarHBondContact OD2-CB 3.47Å; D65-S68 PolarHBondContact OD2-OG 2.98Å; S68-T70 PolarHBondContact O-N 2.02Å; S68-T70 VanDerWaalsContact O-N 3.17Å; S68-T70 PolarHBondContact O-OG1 3.24Å
69N96Very high97.2Very high32 Ų3239.8 Ų39.817%0.17124%0.239CC..THydrogen-bonded Turntrans51.937.6-179.7-147.243.9000113.2A16 F19 I21 D65A16-N69 WeakPolarHBondContact CB-ND2 3.32Å; A16-N69 PolarHBondContact N-O 3.19Å; A16-N69 PolarHBondContact O-ND2 2.97Å; F19-N69 PolarHBondContact O-ND2 2.77Å; I21-N69 WeakPolarHBondContact CB-OD1 2.99Å; I21-N69 VanDerWaalsContact CG2-OD1 3.25Å; I21-N69 WeakPolarHBondContact CG2-OD1 2.98Å; I21-N69 PolarHBondContact N-OD1 3.12Å; D65-N69 PolarHBondContact O-N 3.4Å
70T97.6Very high97.1Very high7 Ų741.8 Ų41.84%0.04326%0.259CS..EExtended strand (participates in β ladder)trans-129.4129-168-62.50000112C14 T15 A64 D65 S68 Y72C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.37Å; T15-T70 WeakPolarHBondContact CB-OG1 3.24Å; T15-T70 WeakPolarHBondContact CG2-OG1 3.48Å; T15-T70 PolarHBondContact OG1-OG1 2.78Å; A64-T70 WeakPolarHBondContact CA-O 3.31Å; D65-T70 PolarHBondContact N-O 3.26Å; D65-T70 PolarHBondContact O-N 2.84Å; S68-T70 PolarHBondContact O-N 2.02Å; S68-T70 VanDerWaalsContact O-N 3.17Å; S68-T70 PolarHBondContact O-OG1 3.24Å; T70-Y72 HydrophobicContact CG2-CD1 4.26Å; T70-Y72 HydrophobicContact CG2-CD2 4.45Å; T70-Y72 HydrophobicContact CG2-CE1 3.65Å; T70-Y72 HydrophobicContact CG2-CE2 3.84Å
71A97.8Very high96.9Very high0 Ų048 Ų480%029%0.287CS..EExtended strand (participates in β ladder)trans-94.1152168.200000110.9S13 C14 I21 M26 T63S13-A71 CarbonylContact C-O 3.58Å; S13-A71 WeakPolarHBondContact CA-O 3.31Å; C14-A71 PolarHBondContact N-O 3.08Å; C14-A71 PolarHBondContact O-N 2.86Å; I21-A71 HydrophobicContact CD1-CB 4.1Å; M26-A71 HydrophobicContact CB-CB 3.95Å; M26-A71 HydrophobicContact CE-CB 4.35Å; M26-A71 HydrophobicContact CG-CB 4.06Å; T63-A71 CarbonylContact O-C 3.59Å; T63-A71 WeakPolarHBondContact O-CA 3.27Å
72Y98.4Very high96.7Very high52 Ų5244.8 Ų44.820%0.20427%0.268CS..EExtended strand (participates in β ladder)trans-131.8143.9179.8-56.1-85000111.4K11 L12 I62 T63 D65 T70K11-Y72 HydrophobicContact CD-CD1 4.47Å; K11-Y72 HydrophobicContact CG-CD1 4.49Å; L12-Y72 CarbonylContact O-C 3.47Å; L12-Y72 WeakPolarHBondContact O-CA 3.3Å; I62-Y72 WeakPolarHBondContact CA-O 3.24Å; T63-Y72 PolarHBondContact N-O 2.75Å; T63-Y72 PolarHBondContact O-N 3.37Å; D65-Y72 HydrophobicContact CB-CE2 3.99Å; T70-Y72 HydrophobicContact CG2-CD1 4.26Å; T70-Y72 HydrophobicContact CG2-CD2 4.45Å; T70-Y72 HydrophobicContact CG2-CE1 3.65Å; T70-Y72 HydrophobicContact CG2-CE2 3.84Å
73L98.6Very high96.6Very high0 Ų046.6 Ų46.60%028%0.279CS..EExtended strand (participates in β ladder)trans-120.8118.3168.5169.867.9000108.5K11 L12 W28 I40 A60 I62 L75 Y86K11-L73 CarbonylContact C-O 3.56Å; K11-L73 WeakPolarHBondContact CA-O 2.95Å; L12-L73 HydrophobicContact CB-CB 4.49Å; L12-L73 HydrophobicContact CD1-CD2 4.4Å; L12-L73 PolarHBondContact N-O 3.11Å; L12-L73 PolarHBondContact O-N 3.23Å; W28-L73 HydrophobicContact CB-CD2 4.14Å; W28-L73 HydrophobicContact CD2-CB 3.4Å; W28-L73 VanDerWaalsContact CD2-CB 3.4Å; W28-L73 HydrophobicContact CD2-CD2 3.86Å; W28-L73 HydrophobicContact CD2-CG 4.19Å; W28-L73 VanDerWaalsContact CE2-CB 3.43Å; W28-L73 HydrophobicContact CE3-CB 3.66Å; W28-L73 HydrophobicContact CE3-CD2 3.61Å; W28-L73 HydrophobicContact CE3-CG 4.28Å; W28-L73 HydrophobicContact CG-CB 3.91Å; W28-L73 HydrophobicContact CG-CD2 4.1Å; W28-L73 HydrophobicContact CG-CG 4.4Å; W28-L73 HydrophobicContact CH2-CB 3.94Å; W28-L73 HydrophobicContact CZ2-CB 3.72Å; W28-L73 HydrophobicContact CZ3-CB 3.91Å; W28-L73 HydrophobicContact CZ3-CD2 4.28Å; I40-L73 HydrophobicContact CD1-CD2 3.72Å; I40-L73 HydrophobicContact CG2-CD1 4.22Å; A60-L73 HydrophobicContact CB-CD1 3.82Å; I62-L73 HydrophobicContact CG1-CD1 3.91Å; L73-L75 HydrophobicContact CD1-CD2 4.09Å; L73-L75 HydrophobicContact CD1-CG 4.4Å; L73-L75 HydrophobicContact CD2-CD1 4.24Å; L73-L75 HydrophobicContact CD2-CD2 4.27Å; L73-L75 HydrophobicContact CD2-CG 4.18Å; L73-L75 HydrophobicContact CG-CD2 4.26Å; L73-L75 HydrophobicContact CG-CG 4.08Å; L73-Y86 HydrophobicContact CD2-CD1 4.02Å
74Q98.3Very high96.5Very high91 Ų9143.9 Ų43.943%0.42526%0.263SS..EExtended strand (participates in β ladder)trans-101.8125.1169.5-175171.813.100109.3V10 A60 T61V10-Q74 CarbonylContact O-C 3.38Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.2Å; A60-Q74 CarbonylContact C-O 3.54Å; A60-Q74 WeakPolarHBondContact CA-O 3.41Å; T61-Q74 PolarHBondContact N-O 2.8Å; T61-Q74 PolarHBondContact O-N 2.95Å
75L97.9Very high96.5Very high1 Ų144.2 Ų44.21%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-110.1129173.2-61.4164.4000108.6S9 V10 K59 A60 L73 L78 Y86S9-L75 CarbonylContact C-O 3.59Å; S9-L75 WeakPolarHBondContact CA-O 3.48Å; S9-L75 VanDerWaalsContact CB-O 3.31Å; S9-L75 WeakPolarHBondContact CB-O 3.12Å; V10-L75 HydrophobicContact CG1-CB 3.8Å; V10-L75 HydrophobicContact CG1-CD1 4Å; V10-L75 HydrophobicContact CG1-CG 4.32Å; V10-L75 PolarHBondContact N-O 3.09Å; V10-L75 PolarHBondContact O-N 3.24Å; K59-L75 WeakPolarHBondContact O-CA 3.43Å; A60-L75 HydrophobicContact CB-CD2 3.97Å; L73-L75 HydrophobicContact CD1-CD2 4.09Å; L73-L75 HydrophobicContact CD1-CG 4.4Å; L73-L75 HydrophobicContact CD2-CD1 4.24Å; L73-L75 HydrophobicContact CD2-CD2 4.27Å; L73-L75 HydrophobicContact CD2-CG 4.18Å; L73-L75 HydrophobicContact CG-CD2 4.26Å; L73-L75 HydrophobicContact CG-CG 4.08Å; L75-L78 HydrophobicContact CB-CD2 3.71Å; L75-L78 HydrophobicContact CD1-CD2 4.29Å; L75-Y86 HydrophobicContact CD1-CD1 4Å; L75-Y86 HydrophobicContact CD1-CE1 3.4Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.4Å; L75-Y86 HydrophobicContact CD1-CE2 4.31Å
76S97Very high96.6Very high35 Ų3541.6 Ų41.625%0.24525%0.247CC..  trans-105.4158.4179.158.70000112.2S9 K59 L78S9-S76 WeakPolarHBondContact OG-CA 3.28Å; K59-S76 PolarHBondContact O-N 2.82Å; K59-S76 PolarHBondContact O-OG 3.04Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.99Å
77S96Very high96.7Very high82 Ų8241.3 Ų41.357%0.57324%0.241SC*.SBendtrans5051172-59.90000113.2A8A8-S77 PolarHBondContact O-N 2.9Å
78L96.6Very high96.7Very high1 Ų136.8 Ų36.81%0.00521%0.209CC..  trans-61.9141.2-173.6-69.5174.4000112.7V4 P6 G7 A8 V10 L75 S76 D82 V111 V113V4-L78 HydrophobicContact CB-CD1 4.39Å; V4-L78 HydrophobicContact CG2-CD1 3.44Å; V4-L78 VanDerWaalsContact CG2-CD1 3.44Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.26Å; G7-L78 PolarHBondContact N-O 2.85Å; A8-L78 WeakPolarHBondContact O-CB 3.43Å; A8-L78 WeakPolarHBondContact O-CG 3.14Å; A8-L78 PolarHBondContact O-N 2.9Å; V10-L78 HydrophobicContact CB-CD1 4.12Å; V10-L78 HydrophobicContact CG1-CD1 3.74Å; V10-L78 HydrophobicContact CG1-CD2 4.33Å; V10-L78 HydrophobicContact CG1-CG 4.49Å; L75-L78 HydrophobicContact CB-CD2 3.71Å; L75-L78 HydrophobicContact CD1-CD2 4.29Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.99Å; L78-D82 VanDerWaalsContact CA-OD2 3.32Å; L78-D82 WeakPolarHBondContact CA-OD2 3.35Å; L78-D82 HydrophobicContact CD2-CB 3.66Å; L78-V111 HydrophobicContact CD1-CG1 4.5Å; L78-V113 HydrophobicContact CB-CG1 4.22Å; L78-V113 HydrophobicContact CB-CG2 3.98Å; L78-V113 HydrophobicContact CD1-CG2 4.25Å
79T95.6Very high96.7Very high55 Ų5534.8 Ų34.834%0.33720%0.195SC..  trans-120.3169.9174.766.50000110.1E81 D82 V113T79-E81 PolarHBondContact O-N 3.04Å; T79-E81 VanDerWaalsContact O-N 3.12Å; T79-D82 PolarHBondContact N-OD2 3.43Å; T79-D82 WeakPolarHBondContact O-CB 3.37Å; T79-D82 PolarHBondContact O-N 3.33Å; T79-D82 PolarHBondContact OG1-OD2 3.2Å; T79-V113 WeakPolarHBondContact O-CB 3.41Å; T79-V113 WeakPolarHBondContact O-CG2 3.25Å
80S94.1Very high96.4Very high87 Ų8733.8 Ų33.861%0.60819%0.19SC*.G310 helixtrans-54.3-31.2175.749.40000112.8D82 T83S80-D82 PolarHBondContact O-N 2.96Å; S80-T83 VanDerWaalsContact O-CB 3.3Å; S80-T83 WeakPolarHBondContact O-CB 3.31Å; S80-T83 PolarHBondContact O-N 2.85Å; S80-T83 VanDerWaalsContact O-N 3.11Å; S80-T83 PolarHBondContact O-OG1 3Å; S80-T83 VanDerWaalsContact O-OG1 3.09Å
81E92.6Very high96Very high135 Ų13533.7 Ų33.763%0.63119%0.189SC*.G310 helixtrans-66.6-14.6176.8-59.5-178.6174.200114K30 R32 T79 T83K30-E81 WeakPolarHBondContact CE-O 3.34Å; K30-E81 PolarHBondContact NZ-O 2.84Å; R32-E81 PolarHBondContact NE-O 3.46Å; T79-E81 PolarHBondContact O-N 3.04Å; T79-E81 VanDerWaalsContact O-N 3.12Å; E81-T83 VanDerWaalsContact C-N 3.31Å
82D95.1Very high95.3Very high4 Ų435.3 Ų35.32%0.02120%0.203CC..G310 helixtrans-86-2.7174.3-58.2-48.3000113.8K30 K59 L78 T79 S80 A84 Y86 V113K30-D82 IonicContact NZ-OD1 3.07Å; K30-D82 PolarHBondContact NZ-OD1 3.29Å; K59-D82 WeakPolarHBondContact CE-OD1 3.37Å; K59-D82 WeakPolarHBondContact CE-OD2 3.37Å; K59-D82 IonicContact NZ-OD1 2.76Å; K59-D82 PolarHBondContact NZ-OD1 2.87Å; K59-D82 IonicContact NZ-OD2 2.58Å; K59-D82 PolarHBondContact NZ-OD2 2.88Å; L78-D82 VanDerWaalsContact CA-OD2 3.32Å; L78-D82 WeakPolarHBondContact CA-OD2 3.35Å; L78-D82 HydrophobicContact CD2-CB 3.66Å; T79-D82 PolarHBondContact N-OD2 3.43Å; T79-D82 WeakPolarHBondContact O-CB 3.37Å; T79-D82 PolarHBondContact O-N 3.33Å; T79-D82 PolarHBondContact OG1-OD2 3.2Å; S80-D82 PolarHBondContact O-N 2.96Å; D82-A84 PolarHBondContact O-N 3.26Å; D82-A84 VanDerWaalsContact O-N 3.09Å; D82-Y86 WeakPolarHBondContact O-CE2 3.36Å; D82-Y86 PolarHBondContact O-OH 3.48Å; D82-V113 HydrophobicContact CB-CG2 4.16Å
83T96.3Very high94.2Very high43 Ų4336 Ų3626%0.26421%0.209SC..  trans-64.1111.4171.3-61.70000109.6S80 E81 V111 T112 V113S80-T83 VanDerWaalsContact O-CB 3.3Å; S80-T83 WeakPolarHBondContact O-CB 3.31Å; S80-T83 PolarHBondContact O-N 2.85Å; S80-T83 VanDerWaalsContact O-N 3.11Å; S80-T83 PolarHBondContact O-OG1 3Å; S80-T83 VanDerWaalsContact O-OG1 3.09Å; E81-T83 VanDerWaalsContact C-N 3.31Å; T83-V111 VanDerWaalsContact CA-O 3.3Å; T83-V111 WeakPolarHBondContact CA-O 3.19Å; T83-T112 HydrophobicContact CG2-CG2 4.32Å; T83-V113 PolarHBondContact OG1-N 2.85Å
84A97.1Very high92.7Very high4 Ų439.5 Ų39.53%0.03323%0.231CC..EExtended strand (participates in β ladder)trans-168.3168-17100000111.2K30 Q31 R32 D82 Y86 V111K30-A84 HydrophobicContact CD-CB 4.26Å; K30-A84 HydrophobicContact CG-CB 3.55Å; Q31-A84 WeakPolarHBondContact O-CA 3.21Å; Q31-A84 WeakPolarHBondContact O-CB 3.39Å; R32-A84 HydrophobicContact CG-CB 4.34Å; D82-A84 PolarHBondContact O-N 3.26Å; D82-A84 VanDerWaalsContact O-N 3.09Å; A84-Y86 HydrophobicContact CB-CD2 4.33Å; A84-Y86 HydrophobicContact CB-CE2 3.73Å; A84-V111 PolarHBondContact N-O 2.89Å; A84-V111 PolarHBondContact O-N 3.5Å
85V97.8Very high90.7Very high40 Ų4042.3 Ų42.324%0.24225%0.254CS..EExtended strand (participates in β ladder)trans-91.4129.3161.3-171.80000108.5Q31 Y87Q31-V85 PolarHBondContact N-O 2.58Å; Q31-V85 PolarHBondContact O-N 2.8Å; V85-Y87 HydrophobicContact CB-CE2 3.81Å; V85-Y87 HydrophobicContact CG1-CD1 4.46Å; V85-Y87 HydrophobicContact CG1-CD2 4.27Å; V85-Y87 HydrophobicContact CG1-CE1 3.82Å; V85-Y87 HydrophobicContact CG1-CE2 3.6Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.49Å
86Y98Very high88.6Confident2 Ų247.5 Ų47.51%0.00829%0.286CS..EExtended strand (participates in β ladder)trans-106.7124178.3-68.4-95.3000109.5L12 V29 K30 I40 L73 L75 D82 A84 G108 T109 V111L12-Y86 VanDerWaalsContact CD1-CB 3.42Å; L12-Y86 HydrophobicContact CD1-CD1 4.37Å; L12-Y86 HydrophobicContact CD1-CD2 4.2Å; L12-Y86 HydrophobicContact CD1-CG 3.75Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.38Å; K30-Y86 HydrophobicContact CB-CD1 4.22Å; K30-Y86 HydrophobicContact CB-CE1 3.94Å; K30-Y86 HydrophobicContact CD-CE1 4.05Å; K30-Y86 WeakPolarHBondContact CE-OH 3.03Å; K30-Y86 HydrophobicContact CG-CD1 4.43Å; K30-Y86 HydrophobicContact CG-CE1 3.83Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.86Å; L73-Y86 HydrophobicContact CD2-CD1 4.02Å; L75-Y86 HydrophobicContact CD1-CD1 4Å; L75-Y86 HydrophobicContact CD1-CE1 3.4Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.4Å; L75-Y86 HydrophobicContact CD1-CE2 4.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.36Å; D82-Y86 PolarHBondContact O-OH 3.48Å; A84-Y86 HydrophobicContact CB-CD2 4.33Å; A84-Y86 HydrophobicContact CB-CE2 3.73Å; Y86-G108 CarbonylContact O-C 3.57Å; Y86-G108 VanDerWaalsContact O-CA 3.25Å; Y86-G108 WeakPolarHBondContact O-CA 3.28Å; Y86-T109 PolarHBondContact N-O 2.6Å; Y86-T109 PolarHBondContact O-N 2.84Å; Y86-V111 HydrophobicContact CD2-CB 3.95Å; Y86-V111 HydrophobicContact CD2-CG2 3.7Å; Y86-V111 HydrophobicContact CE2-CB 3.77Å; Y86-V111 HydrophobicContact CE2-CG2 3.97Å
87Y97.7Very high86.5Confident43 Ų4351.6 Ų51.617%0.16931%0.309CS..EExtended strand (participates in β ladder)trans-109142.7179-57.3-87.7000109.7W28 V29 Q31 V85 W105 G106W28-Y87 WeakPolarHBondContact CA-O 3.36Å; V29-Y87 PolarHBondContact N-O 2.96Å; V29-Y87 PolarHBondContact O-N 2.98Å; Q31-Y87 HydrophobicContact CB-CD2 4.32Å; Q31-Y87 HydrophobicContact CB-CE2 3.69Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.25Å; Q31-Y87 PolarHBondContact OE1-OH 2.78Å; V85-Y87 HydrophobicContact CB-CE2 3.81Å; V85-Y87 HydrophobicContact CG1-CD1 4.46Å; V85-Y87 HydrophobicContact CG1-CD2 4.27Å; V85-Y87 HydrophobicContact CG1-CE1 3.82Å; V85-Y87 HydrophobicContact CG1-CE2 3.6Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.49Å; Y87-W105 HydrophobicContact CD1-CE3 4.48Å; Y87-W105 HydrophobicContact CD2-CZ3 4.47Å; Y87-W105 HydrophobicContact CG-CE3 4.07Å; Y87-W105 HydrophobicContact CG-CZ3 4.24Å; Y87-G106 WeakPolarHBondContact CD1-O 3.11Å
88C96.5Very high84.6Confident14 Ų1450.4 Ų50.410%0.09530%0.304CS..EExtended strand (participates in β ladder)trans-93.2149.5154.857.40000108.9C14 M26 H27 W28 G106C14-C88 HydrophobicContact CB-CB 3.39Å; C14-C88 WeakPolarHBondContact CB-SG 3.35Å; C14-C88 WeakPolarHBondContact SG-CB 3.32Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.39Å; M26-C88 HydrophobicContact CE-CB 4.32Å; H27-C88 CarbonylContact O-C 3.52Å; H27-C88 VanDerWaalsContact O-CA 3.24Å; H27-C88 WeakPolarHBondContact O-CA 3.47Å; W28-C88 HydrophobicContact CE3-CB 4.38Å; W28-C88 HydrophobicContact CH2-CB 4.42Å; W28-C88 HydrophobicContact CZ3-CB 4.34Å; C88-G106 PolarHBondContact O-N 3.06Å
89A95.1Very high82.5Confident2 Ų254 Ų542%0.01733%0.327CS..EExtended strand (participates in β ladder)trans-142.2160.9170.300000109.7H27 M102 Y104 W105H27-A89 HydrophobicContact CB-CB 4.43Å; H27-A89 PolarHBondContact N-O 2.78Å; H27-A89 PolarHBondContact O-N 2.87Å; A89-M102 HydrophobicContact CB-CB 3.91Å; A89-M102 HydrophobicContact CB-CG 4.19Å; A89-M102 HydrophobicContact CB-SD 3.86Å; A89-Y104 CarbonylContact C-O 3.37Å; A89-Y104 WeakPolarHBondContact CA-O 3.25Å; A89-Y104 VanDerWaalsContact CB-O 3.27Å; A89-Y104 WeakPolarHBondContact CB-O 3.18Å; A89-W105 HydrophobicContact CB-CD2 3.78Å; A89-W105 HydrophobicContact CB-CE3 4.17Å; A89-W105 HydrophobicContact CB-CG 4.05Å; A89-W105 HydrophobicContact CB-CZ2 4.25Å
90D90.9Very high80.9Confident12 Ų1260.7 Ų60.76%0.06435%0.354CS..EExtended strand (participates in β ladder)trans-122.2159.9177.371.441.3000112.7F19 T24 Y25 M26 M102 D103 Y104F19-D90 HydrophobicContact CZ-CB 4.48Å; F19-D90 WeakPolarHBondContact CZ-OD2 3.25Å; T24-D90 HydrophobicContact CG2-CB 4.34Å; Y25-D90 VanDerWaalsContact O-CA 3.31Å; Y25-D90 WeakPolarHBondContact O-CA 3.02Å; M26-D90 HydrophobicContact SD-CB 3.85Å; D90-M102 CarbonylContact O-C 3.53Å; D90-M102 VanDerWaalsContact O-CA 3.26Å; D90-M102 WeakPolarHBondContact O-CA 3.48Å; D90-D103 PolarHBondContact O-N 3.04Å; D90-Y104 PolarHBondContact N-O 2.96Å; D90-Y104 VanDerWaalsContact OD1-CD2 3.31Å; D90-Y104 WeakPolarHBondContact OD1-CD2 3.39Å; D90-Y104 WeakPolarHBondContact OD2-CB 3.4Å
91T89.4Confident79.6Confident5 Ų559 Ų593%0.03135%0.345CS..EExtended strand (participates in β ladder)trans-138.4129.3169.5-63.30000107.9T24 Y25 T99 A101T24-T91 CarbonylContact C-O 3.58Å; T24-T91 VanDerWaalsContact CA-O 3.27Å; T24-T91 WeakPolarHBondContact CA-O 3.23Å; Y25-T91 PolarHBondContact N-O 2.93Å; Y25-T91 PolarHBondContact O-N 2.88Å; Y25-T91 VanDerWaalsContact O-N 3.08Å; T91-T99 WeakPolarHBondContact CG2-O 3.49Å; T91-A101 WeakPolarHBondContact CG2-O 3.49Å; T91-A101 PolarHBondContact OG1-O 3.12Å
92A83.1Confident79.1Confident34 Ų3454.8 Ų54.828%0.28133%0.326SS..EExtended strand (participates in β ladder)trans-65.6134.7-179.900000112.3T94A92-T94 HydrophobicContact CB-CG2 3.99Å; A92-T94 PolarHBondContact O-N 3.47Å
93I74.7Confident78.3Confident65 Ų6558.5 Ų58.533%0.33335%0.346SS..  trans-88.183.6172.3-55.9173000107.7D23 T24 Y25D23-I93 PolarHBondContact O-N 3.2Å; T24-I93 VanDerWaalsContact C-CD1 3.48Å; Y25-I93 HydrophobicContact CD1-CD1 3.82Å; Y25-I93 HydrophobicContact CD1-CG1 4.2Å; Y25-I93 HydrophobicContact CD2-CD1 4.47Å; Y25-I93 HydrophobicContact CD2-CG1 3.96Å; Y25-I93 HydrophobicContact CE1-CD1 3.64Å; Y25-I93 HydrophobicContact CE1-CG1 4.1Å; Y25-I93 HydrophobicContact CE2-CD1 4.36Å; Y25-I93 HydrophobicContact CE2-CG1 3.9Å; Y25-I93 HydrophobicContact CG-CD1 4.22Å; Y25-I93 HydrophobicContact CG-CG1 4.11Å
94T67.6Low77.9Confident74 Ų7464.3 Ų64.345%0.45436%0.364SS..  trans-96152.1175.876.10000111.8A92 V96A92-T94 HydrophobicContact CB-CG2 3.99Å; A92-T94 PolarHBondContact O-N 3.47Å; T94-V96 PolarHBondContact O-N 3.39Å; T94-V96 PolarHBondContact OG1-O 2.81Å
95T56.2Low77.8Confident150 Ų15069 Ų6992%0.9238%0.381SS*.SBendtrans-73.1-4.2-179.9500000113.9
96V53.3Low77.6Confident111 Ų11168.3 Ų68.367%0.67338%0.382SS*.SBendtrans-130.291.6-177.1-151.10000106.9T94T94-V96 PolarHBondContact O-N 3.39Å; T94-V96 PolarHBondContact OG1-O 2.81Å
97V53.6Low77.5Confident120 Ų12077.2 Ų77.273%0.72742%0.424SS*.  trans55.3108.4-178.4-104.50000114.5T99V97-T99 PolarHBondContact O-N 2.84Å
98A55.2Low77.4Confident57 Ų5776.4 Ų76.447%0.47143%0.429SS..  trans-57.1103.6161.700000107.8E100A98-E100 PolarHBondContact O-N 2.8Å
99T53.5Low77.4Confident78 Ų7878.1 Ų78.148%0.47944%0.439SS..  trans-64.7116.8167.943.40000105.8T91 V97 A101T91-T99 WeakPolarHBondContact CG2-O 3.49Å; V97-T99 PolarHBondContact O-N 2.84Å; T99-A101 PolarHBondContact O-N 2.95Å
100E60.2Low77.5Confident195 Ų19580.2 Ų80.291%0.91145%0.453SS*.  trans-69.114.2179.3-57.6-150.7150.400113.3A98A98-E100 PolarHBondContact O-N 2.8Å
101A68Low77.8Confident50 Ų5079.6 Ų79.641%0.41345%0.45SS..  trans-78.4133.5175.600000109.9T91 T99 D103T91-A101 WeakPolarHBondContact CG2-O 3.49Å; T91-A101 PolarHBondContact OG1-O 3.12Å; T99-A101 PolarHBondContact O-N 2.95Å; A101-D103 PolarHBondContact O-N 2.81Å
102M81.5Confident78.1Confident48 Ų4881.9 Ų81.924%0.23646%0.464CS..  trans-84.397.4169-67.6-177.9-170.200107.8H27 V29 W39 A89 D90 W105H27-M102 HydrophobicContact CB-CE 3.77Å; H27-M102 HydrophobicContact CB-SD 4.02Å; H27-M102 VanDerWaalsContact ND1-CE 3.25Å; H27-M102 WeakPolarHBondContact ND1-CE 3.47Å; V29-M102 HydrophobicContact CG2-CE 4.35Å; V29-M102 HydrophobicContact CG2-SD 3.99Å; W39-M102 VanDerWaalsContact CD1-CE 3.48Å; W39-M102 HydrophobicContact CG-CE 4.41Å; A89-M102 HydrophobicContact CB-CB 3.91Å; A89-M102 HydrophobicContact CB-CG 4.19Å; A89-M102 HydrophobicContact CB-SD 3.86Å; D90-M102 CarbonylContact O-C 3.53Å; D90-M102 VanDerWaalsContact O-CA 3.26Å; D90-M102 WeakPolarHBondContact O-CA 3.48Å; M102-W105 HydrophobicContact CB-CZ2 3.92Å; M102-W105 HydrophobicContact CG-CZ2 4.41Å; M102-W105 PolarHBondContact O-NE1 3.17Å; M102-W105 HydrophobicContact SD-CH2 4.04Å; M102-W105 HydrophobicContact SD-CZ2 3.64Å
103D79.6Confident78.8Confident82 Ų8280.6 Ų80.644%0.43945%0.453SS..  trans-75.3-40-165.5-64.9-43.8000111.9D90 A101D90-D103 PolarHBondContact O-N 3.04Å; A101-D103 PolarHBondContact O-N 2.81Å
104Y87.6Confident79.7Confident164 Ų16480 Ų8064%0.64346%0.455SS*.EExtended strand (participates in β ladder)trans-121.2141.7178.1-60.7-83.5000111.8A89 D90A89-Y104 CarbonylContact C-O 3.37Å; A89-Y104 WeakPolarHBondContact CA-O 3.25Å; A89-Y104 VanDerWaalsContact CB-O 3.27Å; A89-Y104 WeakPolarHBondContact CB-O 3.18Å; D90-Y104 PolarHBondContact N-O 2.96Å; D90-Y104 VanDerWaalsContact OD1-CD2 3.31Å; D90-Y104 WeakPolarHBondContact OD1-CD2 3.39Å; D90-Y104 WeakPolarHBondContact OD2-CB 3.4Å
105W93.8Very high80.5Confident102 Ų10283.9 Ų83.939%0.38649%0.485SS..EExtended strand (participates in β ladder)trans-124.5135.2-179.7-71.668.3000110.4V29 L37 Y87 A89 M102V29-W105 HydrophobicContact CB-CH2 4.05Å; V29-W105 HydrophobicContact CB-CZ3 3.87Å; V29-W105 HydrophobicContact CG1-CH2 3.96Å; V29-W105 HydrophobicContact CG1-CZ3 3.98Å; V29-W105 HydrophobicContact CG2-CH2 3.72Å; V29-W105 HydrophobicContact CG2-CZ3 3.95Å; L37-W105 HydrophobicContact CD1-CH2 3.79Å; L37-W105 HydrophobicContact CD1-CZ2 4.45Å; L37-W105 HydrophobicContact CD1-CZ3 4.28Å; L37-W105 HydrophobicContact CD2-CZ3 4.33Å; Y87-W105 HydrophobicContact CD1-CE3 4.48Å; Y87-W105 HydrophobicContact CD2-CZ3 4.47Å; Y87-W105 HydrophobicContact CG-CE3 4.07Å; Y87-W105 HydrophobicContact CG-CZ3 4.24Å; A89-W105 HydrophobicContact CB-CD2 3.78Å; A89-W105 HydrophobicContact CB-CE3 4.17Å; A89-W105 HydrophobicContact CB-CG 4.05Å; A89-W105 HydrophobicContact CB-CZ2 4.25Å; M102-W105 HydrophobicContact CB-CZ2 3.92Å; M102-W105 HydrophobicContact CG-CZ2 4.41Å; M102-W105 PolarHBondContact O-NE1 3.17Å; M102-W105 HydrophobicContact SD-CH2 4.04Å; M102-W105 HydrophobicContact SD-CZ2 3.64Å
106G94.3Very high81.7Confident27 Ų2780.6 Ų80.628%0.27846%0.463SS..  trans-67.6164.1168.300000111.7Y87 C88 G108Y87-G106 WeakPolarHBondContact CD1-O 3.11Å; C88-G106 PolarHBondContact O-N 3.06Å; G106-G108 PolarHBondContact O-N 2.79Å; G106-G108 VanDerWaalsContact O-N 3.08Å
107Q94.9Very high83.2Confident188 Ų18879 Ų7988%0.87945%0.452SS*.  trans-65.5-13179.7-64.6-61-5000114.1
108G95.8Very high84.8Confident27 Ų2776.7 Ų76.728%0.27844%0.437SS..  trans82.9152-17700000113.1Y86 G106Y86-G108 CarbonylContact O-C 3.57Å; Y86-G108 VanDerWaalsContact O-CA 3.25Å; Y86-G108 WeakPolarHBondContact O-CA 3.28Å; G106-G108 PolarHBondContact O-N 2.79Å; G106-G108 VanDerWaalsContact O-N 3.08Å
109T97.2Very high86.6Confident49 Ų4977.9 Ų77.930%0.30144%0.435SS..EExtended strand (participates in β ladder)trans-124.6119.8174-63.60000109.3L12 Y86 V111L12-T109 HydrophobicContact CD2-CG2 3.95Å; Y86-T109 PolarHBondContact N-O 2.6Å; Y86-T109 PolarHBondContact O-N 2.84Å; T109-V111 PolarHBondContact O-N 3.47Å
110S97.1Very high88.7Confident46 Ų4677.9 Ų77.932%0.32243%0.432SS..EExtended strand (participates in β ladder)trans-70126.1172.2-172.50000110.2A1 E2A1-S110 CarbonylContact C-O 3.42Å; A1-S110 WeakPolarHBondContact CA-O 3.37Å; E2-S110 PolarHBondContact N-O 2.8Å
111V97.1Very high90.5Very high0 Ų070.1 Ų70.10%040%0.4CS..EExtended strand (participates in β ladder)trans-115.1127.5168178.40000107.6E2 V4 V10 L12 L78 T83 A84 Y86 T109 V113E2-V111 HydrophobicContact CB-CG2 4.43Å; E2-V111 CarbonylContact O-C 3.5Å; E2-V111 WeakPolarHBondContact O-CA 3.3Å; V4-V111 HydrophobicContact CG2-CG1 4.19Å; V10-V111 HydrophobicContact CG1-CG1 4.47Å; L12-V111 HydrophobicContact CD1-CG2 4.19Å; L12-V111 HydrophobicContact CD2-CG2 3.98Å; L78-V111 HydrophobicContact CD1-CG1 4.5Å; T83-V111 VanDerWaalsContact CA-O 3.3Å; T83-V111 WeakPolarHBondContact CA-O 3.19Å; A84-V111 PolarHBondContact N-O 2.89Å; A84-V111 PolarHBondContact O-N 3.5Å; Y86-V111 HydrophobicContact CD2-CB 3.95Å; Y86-V111 HydrophobicContact CD2-CG2 3.7Å; Y86-V111 HydrophobicContact CE2-CB 3.77Å; Y86-V111 HydrophobicContact CE2-CG2 3.97Å; T109-V111 PolarHBondContact O-N 3.47Å; V111-V113 HydrophobicContact CG1-CG2 4.47Å
112T97Very high92.2Very high52 Ų5271.5 Ų71.532%0.31940%0.399SS..EExtended strand (participates in β ladder)trans-119.9124.1179.9-57.50000109.1E2 L3 V4 T83E2-T112 PolarHBondContact O-N 3.15Å; L3-T112 WeakPolarHBondContact CA-O 3.41Å; L3-T112 HydrophobicContact CD1-CG2 3.83Å; V4-T112 PolarHBondContact N-O 3.28Å; T83-T112 HydrophobicContact CG2-CG2 4.32Å
113V95.9Very high93Very high8 Ų873.3 Ų73.35%0.04841%0.411CS..EExtended strand (participates in β ladder)trans-107.6106.8179.6-169.50000109V4 P6 L78 T79 D82 T83 V111V4-V113 HydrophobicContact CG2-CB 4.39Å; V4-V113 HydrophobicContact CG2-CG1 4.46Å; V4-V113 HydrophobicContact CG2-CG2 3.83Å; V4-V113 WeakPolarHBondContact O-CA 3.38Å; P6-V113 HydrophobicContact CB-CG1 4.41Å; P6-V113 HydrophobicContact CG-CG1 4.15Å; L78-V113 HydrophobicContact CB-CG1 4.22Å; L78-V113 HydrophobicContact CB-CG2 3.98Å; L78-V113 HydrophobicContact CD1-CG2 4.25Å; T79-V113 WeakPolarHBondContact O-CB 3.41Å; T79-V113 WeakPolarHBondContact O-CG2 3.25Å; D82-V113 HydrophobicContact CB-CG2 4.16Å; T83-V113 PolarHBondContact OG1-N 2.85Å; V111-V113 HydrophobicContact CG1-CG2 4.47Å
114S93.6Very high94.1Very high53 Ų5372.6 Ų72.637%0.37141%0.409SS..  trans-142.9149.4-17967.80000112.1L3 V4L3-S114 WeakPolarHBondContact CD1-OG 3.32Å; V4-S114 PolarHBondContact O-N 2.63Å
115S84.9Confident94.7Very high155 Ų15564.3 Ų64.3100%1.08439%0.388SS*.  trans-770176.157.80000112.7

Retrieved 115 of 115 residues in 24 ms (Link to these results)

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