A0A096NY17_PAPAN Loading...

SOSS complex subunit B2

Component of the SOSS complex, a multiprotein complex that functions downstream of the MRN complex to promote DNA repair and G2/M checkpoint. In the SOSS complex, acts as a sensor of single-stranded DNA that binds to single-stranded DNA, in particular to polypyrimidines. The SOSS complex associates with DNA lesions and influences diverse endpoints in the cellular DNA damage response including cell-cycle checkpoint activation, recombinational repair and maintenance of genomic stability. Required for efficient homologous recombination-dependent repair of double-strand breaks (DSBs) and ATM-dependent signaling pathways.

AlphaFold DB , UniProt , Accession A0A096NY17, Species PAPAN (Papio anubis, Olive baboon), Gene NABP1, Length 204 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
1M41.8Very low73.9Confident227 Ų227107.3 Ų107.3100%1.11856%0.556SS**  0113.70-107.766.7-175.500109.2R3M1-R3 PolarHBondContact O-N 3.15Å
2N42.7Very low75.9Confident152 Ų152111.2 Ų111.281%0.81356%0.558SS**  trans-66.6109.4-174-68-29.5000111.1V4N2-V4 HydrophobicContact CB-CG2 4.19Å; N2-V4 PolarHBondContact O-N 2.95Å; N2-V4 VanDerWaalsContact O-N 3.07Å
3R55.9Low77.6Confident123 Ų123108.1 Ų108.146%0.46454%0.544SS..  trans-76.525.1178.7-59.9-177.8180165.6-0.7113.5M1 E95M1-R3 PolarHBondContact O-N 3.15Å; R3-E95 IonicContact CZ-OE1 3.95Å; R3-E95 VanDerWaalsContact NH1-CD 3.32Å; R3-E95 IonicContact NH1-OE1 2.78Å; R3-E95 PolarHBondContact NH1-OE1 3.35Å; R3-E95 IonicContact NH1-OE2 3.35Å; R3-E95 PolarHBondContact NH1-OE2 2.78Å
4V57.7Low79Confident98 Ų98100.7 Ų100.759%0.59451%0.507SS*.THydrogen-bonded Turntrans-88.1-5.8-165.4-166.50000112.7N2N2-V4 HydrophobicContact CB-CG2 4.19Å; N2-V4 PolarHBondContact O-N 2.95Å; N2-V4 VanDerWaalsContact O-N 3.07Å
5N63.6Low80.1Confident149 Ų149103.3 Ų103.380%0.79751%0.514SS*.THydrogen-bonded Turntrans-105.11-171.2-65.7-22.5000115.1
6D76Confident81.1Confident88 Ų88100.6 Ų100.647%0.47151%0.506SS..SBendtrans-73.8133.4175.3-66.7-22.5000109.5L8 N22D6-L8 PolarHBondContact O-N 3.35Å; D6-N22 WeakPolarHBondContact CB-ND2 3.49Å
7P88.1Confident81.9Confident112 Ų11297.9 Ų97.973%0.72751%0.509SS*.PPolyproline II helixtrans-62.2133.8-176.223.4-32000110.9
8L94.4Very high82.7Confident104 Ų10496 Ų9655%0.54550%0.5SS..PPolyproline II helixtrans-77.4137.4173.4-63.8178.1000109.8D6 N22 V24D6-L8 PolarHBondContact O-N 3.35Å; L8-N22 CarbonylContact C-O 3.53Å; L8-N22 WeakPolarHBondContact CA-O 3.4Å; L8-N22 HydrophobicContact CD2-CB 4.18Å; L8-V24 HydrophobicContact CD1-CG2 3.95Å; L8-V24 HydrophobicContact CD2-CG2 3.97Å
9I96.8Very high83.4Confident41 Ų4199.2 Ų99.221%0.2151%0.509CS..  trans-104.7138.1173.6-165.7175.1000109.6D13 L18 L21 N22 V23I9-D13 HydrophobicContact CD1-CB 4.1Å; I9-D13 HydrophobicContact CG1-CB 3.87Å; I9-L18 HydrophobicContact CD1-CD1 4.42Å; I9-L21 HydrophobicContact CD1-CD2 3.97Å; I9-L21 HydrophobicContact CG2-CB 4.37Å; I9-L21 HydrophobicContact CG2-CD2 4.12Å; I9-N22 PolarHBondContact N-O 3.43Å; I9-V23 HydrophobicContact CG2-CG2 3.57Å
10F98.1Very high84Confident86 Ų86100.4 Ų100.438%0.37752%0.516SS..  trans-78.2152.8172.7-67.3-60.9000111R12 D13 D49 K50 T51F10-R12 PolarHBondContact O-N 3.21Å; F10-D13 PolarHBondContact O-N 2.84Å; F10-D49 WeakPolarHBondContact CA-OD2 3.5Å; F10-K50 HydrophobicContact CE1-CD 4.4Å; F10-K50 HydrophobicContact CE1-CG 4.47Å; F10-K50 VanDerWaalsContact CZ-CE 3.47Å; F10-T51 HydrophobicContact CB-CG2 3.71Å; F10-T51 HydrophobicContact CD1-CG2 3.91Å; F10-T51 HydrophobicContact CD2-CG2 4.46Å; F10-T51 HydrophobicContact CG-CG2 3.77Å
11I98.3Very high84.6Confident0 Ų096 Ų960%049%0.494CS..G310 helixtrans-56.5-39.6-179.5-71.8175.1000111.5D13 I14 V23 F25 D49 T51 I54 F112I11-D13 PolarHBondContact O-N 3.38Å; I11-D13 VanDerWaalsContact O-N 3.16Å; I11-I14 HydrophobicContact CG1-CD1 4.42Å; I11-I14 WeakPolarHBondContact O-CB 3.43Å; I11-I14 WeakPolarHBondContact O-CG1 3.3Å; I11-I14 PolarHBondContact O-N 3.2Å; I11-I14 VanDerWaalsContact O-N 3.09Å; I11-V23 HydrophobicContact CG1-CG1 4.16Å; I11-F25 HydrophobicContact CD1-CB 4.36Å; I11-D49 HydrophobicContact CD1-CB 3.91Å; I11-D49 VanDerWaalsContact CD1-N 3.34Å; I11-D49 HydrophobicContact CG1-CB 4.27Å; I11-D49 PolarHBondContact N-OD2 2.81Å; I11-T51 PolarHBondContact N-OG1 3.49Å; I11-I54 HydrophobicContact CD1-CG2 3.93Å; I11-I54 HydrophobicContact CG1-CG2 4.11Å; I11-I54 HydrophobicContact CG2-CB 3.81Å; I11-I54 HydrophobicContact CG2-CG2 3.91Å; I11-F112 HydrophobicContact CG2-CD2 3.53Å; I11-F112 HydrophobicContact CG2-CE2 3.99Å; I11-F112 HydrophobicContact CG2-CG 4.38Å
12R97.8Very high87.2Confident154 Ų15486 Ų8658%0.58145%0.445SS*.G310 helixtrans-58.4-27.9177.9179.2-178.875.3176.12.2114.7F10 I14 T51 F112F10-R12 PolarHBondContact O-N 3.21Å; R12-I14 VanDerWaalsContact C-N 3.32Å; R12-T51 PolarHBondContact N-OG1 2.87Å; R12-F112 HydrophobicContact CB-CE1 4.35Å; R12-F112 HydrophobicContact CB-CE2 4.05Å; R12-F112 HydrophobicContact CB-CZ 3.58Å; R12-F112 HydrophobicContact CG-CE1 4.18Å; R12-F112 HydrophobicContact CG-CZ 3.67Å
13D97.4Very high89.9Confident71 Ų7178.8 Ų78.838%0.3841%0.406SS..G310 helixtrans-90.5-2.8-176.1-55.7-37.4000111.9I9 F10 I11I9-D13 HydrophobicContact CD1-CB 4.1Å; I9-D13 HydrophobicContact CG1-CB 3.87Å; F10-D13 PolarHBondContact O-N 2.84Å; I11-D13 PolarHBondContact O-N 3.38Å; I11-D13 VanDerWaalsContact O-N 3.16Å
14I97.3Very high91.9Very high5 Ų574.4 Ų74.43%0.02639%0.393CS..  trans-74.1127.5177.6-58.9177.8000110.1I11 R12 L21 V23 I54 A79 L86 L88I11-I14 HydrophobicContact CG1-CD1 4.42Å; I11-I14 WeakPolarHBondContact O-CB 3.43Å; I11-I14 WeakPolarHBondContact O-CG1 3.3Å; I11-I14 PolarHBondContact O-N 3.2Å; I11-I14 VanDerWaalsContact O-N 3.09Å; R12-I14 VanDerWaalsContact C-N 3.32Å; I14-L21 HydrophobicContact CG2-CD1 4.1Å; I14-V23 HydrophobicContact CD1-CG2 4.02Å; I14-I54 HydrophobicContact CB-CD1 4.46Å; I14-I54 HydrophobicContact CD1-CD1 4.22Å; I14-I54 HydrophobicContact CG2-CD1 4.1Å; I14-A79 HydrophobicContact CG2-CB 3.37Å; I14-L86 HydrophobicContact CG2-CD2 4.38Å; I14-L88 HydrophobicContact CD1-CD1 4.46Å
15K95.5Very high93.8Very high140 Ų14069.8 Ų69.861%0.60937%0.365SS*.  trans-126155.5176.6-64.1-179.5-177.8176.90110.7G17 L18K15-G17 PolarHBondContact O-N 2.69Å; K15-L18 HydrophobicContact CB-CD1 4.08Å; K15-L18 HydrophobicContact CB-CG 4.14Å; K15-L18 WeakPolarHBondContact O-CG 3.19Å; K15-L18 PolarHBondContact O-N 2.88Å
16P95.8Very high95.5Very high60 Ų6063 Ų6339%0.3933%0.329SS..THydrogen-bonded Turntrans-53.8136.1174.1-2128.6000112L18 M81 L86P16-L18 VanDerWaalsContact C-N 3.34Å; P16-L18 PolarHBondContact O-N 3.33Å; P16-M81 HydrophobicContact CB-CG 4.04Å; P16-M81 HydrophobicContact CB-SD 4.25Å; P16-M81 HydrophobicContact CG-CG 4.03Å; P16-M81 HydrophobicContact CG-SD 3.68Å; P16-L86 HydrophobicContact CB-CD1 4.32Å; P16-L86 HydrophobicContact CG-CD1 3.97Å
17G95Very high96.6Very high54 Ų5459 Ų5956%0.55731%0.307SS*.THydrogen-bonded Turntrans87.9-8.8176.700000115.2K15 A79K15-G17 PolarHBondContact O-N 2.69Å; G17-A79 PolarHBondContact N-O 2.88Å
18L96.4Very high97Very high64 Ų6455.3 Ų55.334%0.33528%0.281SS..  trans-67.1143.8173.7-61.2-174.8000111.3I9 K15 P16 L21 Y78 A79I9-L18 HydrophobicContact CD1-CD1 4.42Å; K15-L18 HydrophobicContact CB-CD1 4.08Å; K15-L18 HydrophobicContact CB-CG 4.14Å; K15-L18 WeakPolarHBondContact O-CG 3.19Å; K15-L18 PolarHBondContact O-N 2.88Å; P16-L18 VanDerWaalsContact C-N 3.34Å; P16-L18 PolarHBondContact O-N 3.33Å; L18-L21 HydrophobicContact CB-CD1 4.27Å; L18-L21 HydrophobicContact CB-CD2 3.79Å; L18-L21 HydrophobicContact CB-CG 4.32Å; L18-L21 HydrophobicContact CD1-CD2 4.26Å; L18-Y78 VanDerWaalsContact O-CA 3.25Å; L18-Y78 WeakPolarHBondContact O-CA 3.43Å; L18-Y78 WeakPolarHBondContact O-CB 3.35Å; L18-A79 PolarHBondContact O-N 2.83Å
19K96.1Very high97.2Very high156 Ų15655.8 Ų55.868%0.67828%0.281SS*.EExtended strand (participates in β ladder)trans-133.6169.9-177.1-61.3177.9-174.5174.50109.7L21 G77K19-L21 PolarHBondContact O-N 3.44Å; K19-G77 CarbonylContact C-O 3.59Å
20N95.4Very high97.2Very high123 Ų12356.1 Ų56.166%0.65828%0.283SS*.EExtended strand (participates in β ladder)trans55.935.3-177.6-58.2-33.9000112.3G77N20-G77 PolarHBondContact N-O 2.82Å
21L96.8Very high97Very high9 Ų953.3 Ų53.35%0.04728%0.278CS..EExtended strand (participates in β ladder)trans-75.2131.5-179.2-59.6177.1000110I9 I14 L18 K19 V23 R76 G77 A79 L88I9-L21 HydrophobicContact CD1-CD2 3.97Å; I9-L21 HydrophobicContact CG2-CB 4.37Å; I9-L21 HydrophobicContact CG2-CD2 4.12Å; I14-L21 HydrophobicContact CG2-CD1 4.1Å; L18-L21 HydrophobicContact CB-CD1 4.27Å; L18-L21 HydrophobicContact CB-CD2 3.79Å; L18-L21 HydrophobicContact CB-CG 4.32Å; L18-L21 HydrophobicContact CD1-CD2 4.26Å; K19-L21 PolarHBondContact O-N 3.44Å; L21-V23 HydrophobicContact CB-CG2 4.2Å; L21-R76 PolarHBondContact O-N 2.98Å; L21-R76 VanDerWaalsContact O-N 3.08Å; L21-G77 PolarHBondContact N-O 3.07Å; L21-G77 PolarHBondContact O-N 3.34Å; L21-A79 HydrophobicContact CD1-CB 4Å; L21-L88 HydrophobicContact CD1-CD1 3.86Å
22N97.3Very high96.5Very high17 Ų1763.6 Ų63.69%0.09132%0.317CS..EExtended strand (participates in β ladder)trans-115.5109.8170.8-58.9-51.3000108.2D6 L8 I9 L74 T75 R76D6-N22 WeakPolarHBondContact CB-ND2 3.49Å; L8-N22 CarbonylContact C-O 3.53Å; L8-N22 WeakPolarHBondContact CA-O 3.4Å; L8-N22 HydrophobicContact CD2-CB 4.18Å; I9-N22 PolarHBondContact N-O 3.43Å; N22-L74 CarbonylContact C-O 3.53Å; N22-L74 VanDerWaalsContact CA-O 3.3Å; N22-L74 WeakPolarHBondContact CA-O 3.4Å; N22-T75 VanDerWaalsContact OD1-CA 3.28Å; N22-T75 WeakPolarHBondContact OD1-CA 3.25Å; N22-R76 PolarHBondContact OD1-N 3.3Å; N22-R76 VanDerWaalsContact OD1-N 3.07Å
23V97.8Very high96.4Very high0 Ų059.6 Ų59.60%031%0.31CS..EExtended strand (participates in β ladder)trans-128.8137.8-170.8-168.30000108.4I9 I11 I14 L21 F25 R73 L74I9-V23 HydrophobicContact CG2-CG2 3.57Å; I11-V23 HydrophobicContact CG1-CG1 4.16Å; I14-V23 HydrophobicContact CD1-CG2 4.02Å; L21-V23 HydrophobicContact CB-CG2 4.2Å; V23-F25 HydrophobicContact CB-CD1 4.24Å; V23-F25 HydrophobicContact CG1-CD1 3.92Å; V23-R73 WeakPolarHBondContact O-CA 3.31Å; V23-L74 PolarHBondContact N-O 3.37Å; V23-L74 PolarHBondContact O-N 2.82Å
24V98.2Very high96.2Very high31 Ų3160 Ų6019%0.18832%0.315CS..EExtended strand (participates in β ladder)trans-110.3130.4166.5177.20000107.5L8 I71 I72 R73 I99 M104L8-V24 HydrophobicContact CD1-CG2 3.95Å; L8-V24 HydrophobicContact CD2-CG2 3.97Å; V24-I71 HydrophobicContact CG1-CG2 3.93Å; V24-I72 WeakPolarHBondContact CA-O 3.42Å; V24-R73 HydrophobicContact CG2-CB 4.1Å; V24-R73 HydrophobicContact CG2-CG 4Å; V24-I99 HydrophobicContact CG1-CD1 3.87Å; V24-I99 HydrophobicContact CG2-CD1 4.33Å; V24-M104 HydrophobicContact CG1-CE 4.21Å; V24-M104 HydrophobicContact CG1-SD 4.11Å; V24-M104 WeakPolarHBondContact O-CE 3.34Å
25F98.6Very high96.1Very high2 Ų266.8 Ų66.81%0.00934%0.344CS..EExtended strand (participates in β ladder)trans-145.8159.4-178.853.4-106000110.9I11 V23 V27 V47 A48 I56 I71 I72 L74 L88 L96I11-F25 HydrophobicContact CD1-CB 4.36Å; V23-F25 HydrophobicContact CB-CD1 4.24Å; V23-F25 HydrophobicContact CG1-CD1 3.92Å; F25-V27 HydrophobicContact CE2-CG2 4.36Å; F25-V47 HydrophobicContact CB-CB 4.1Å; F25-V47 HydrophobicContact CB-CG2 4.22Å; F25-V47 HydrophobicContact CD1-CG2 4.15Å; F25-V47 HydrophobicContact CD2-CB 3.45Å; F25-V47 VanDerWaalsContact CD2-CB 3.45Å; F25-V47 HydrophobicContact CD2-CG1 3.58Å; F25-V47 HydrophobicContact CD2-CG2 3.85Å; F25-V47 HydrophobicContact CE2-CB 3.98Å; F25-V47 HydrophobicContact CE2-CG1 3.62Å; F25-V47 HydrophobicContact CE2-CG2 4.22Å; F25-V47 HydrophobicContact CG-CB 3.81Å; F25-V47 HydrophobicContact CG-CG1 4.39Å; F25-V47 HydrophobicContact CG-CG2 3.81Å; F25-V47 HydrophobicContact CZ-CG1 4.46Å; F25-A48 CarbonylContact C-O 3.53Å; F25-A48 VanDerWaalsContact CA-O 3.29Å; F25-A48 WeakPolarHBondContact CA-O 3.46Å; F25-A48 WeakPolarHBondContact CB-O 3.25Å; F25-I56 HydrophobicContact CE1-CD1 4.17Å; F25-I56 HydrophobicContact CZ-CD1 3.71Å; F25-I71 WeakPolarHBondContact O-CA 3.2Å; F25-I72 HydrophobicContact CD2-CB 4.29Å; F25-I72 HydrophobicContact CE2-CB 3.71Å; F25-I72 HydrophobicContact CE2-CD1 4.44Å; F25-I72 HydrophobicContact CE2-CG2 4.15Å; F25-I72 HydrophobicContact CZ-CB 4.13Å; F25-I72 HydrophobicContact CZ-CG2 4.07Å; F25-I72 PolarHBondContact N-O 2.89Å; F25-I72 PolarHBondContact O-N 3.39Å; F25-L74 HydrophobicContact CE1-CB 3.84Å; F25-L74 HydrophobicContact CZ-CB 4.45Å; F25-L88 HydrophobicContact CE1-CD2 4.11Å; F25-L96 HydrophobicContact CZ-CD2 4.14Å
26I98.6Very high96Very high6 Ų662 Ų623%0.03133%0.327CS..EExtended strand (participates in β ladder)trans-98.9141166.7-172166.8000110L28 V47 A48 D70 I71 M104 Y106I26-L28 HydrophobicContact CG2-CD2 4.01Å; I26-V47 CarbonylContact O-C 3.51Å; I26-V47 VanDerWaalsContact O-CA 3.26Å; I26-V47 WeakPolarHBondContact O-CA 3.49Å; I26-A48 WeakPolarHBondContact CG2-O 2.77Å; I26-A48 PolarHBondContact N-O 3.15Å; I26-A48 PolarHBondContact O-N 3.26Å; I26-D70 CarbonylContact C-O 3.53Å; I26-D70 WeakPolarHBondContact CA-O 3.33Å; I26-I71 HydrophobicContact CG1-CG1 4.44Å; I26-M104 HydrophobicContact CB-CB 4.16Å; I26-M104 HydrophobicContact CB-CG 4.4Å; I26-M104 HydrophobicContact CB-SD 4.13Å; I26-M104 HydrophobicContact CD1-CB 4.29Å; I26-Y106 HydrophobicContact CD1-CD1 4.47Å; I26-Y106 HydrophobicContact CG2-CD1 3.63Å; I26-Y106 HydrophobicContact CG2-CE1 4.46Å; I26-Y106 HydrophobicContact CG2-CG 3.75Å
27V98.6Very high96Very high3 Ų369.4 Ų69.42%0.01835%0.353CS..EExtended strand (participates in β ladder)trans-81.6124.8175.8-177.40000109.5F25 I30 V47 I66 Q67 G69 D70 I72F25-V27 HydrophobicContact CE2-CG2 4.36Å; V27-I30 HydrophobicContact CG1-CD1 3.76Å; V27-V47 HydrophobicContact CB-CG1 4.49Å; V27-V47 HydrophobicContact CG2-CG1 4.08Å; V27-I66 HydrophobicContact CB-CG2 4.35Å; V27-I66 HydrophobicContact CG1-CG2 3.97Å; V27-I66 HydrophobicContact CG2-CG2 3.71Å; V27-Q67 WeakPolarHBondContact CB-O 3.3Å; V27-G69 PolarHBondContact O-N 2.87Å; V27-D70 HydrophobicContact CB-CB 4.49Å; V27-D70 HydrophobicContact CG2-CB 4.12Å; V27-D70 PolarHBondContact N-O 3.39Å; V27-I72 HydrophobicContact CG2-CD1 3.82Å; V27-I72 HydrophobicContact CG2-CG1 4.43Å
28L98Very high95.9Very high35 Ų3573.5 Ų73.518%0.18336%0.362CS..EExtended strand (participates in β ladder)trans-97.6-49.1-179.9-56.8-174.7000111.6I26 K46 A48 Y106 E108I26-L28 HydrophobicContact CG2-CD2 4.01Å; L28-K46 HydrophobicContact CB-CD 4.48Å; L28-K46 HydrophobicContact CB-CG 4.46Å; L28-K46 HydrophobicContact CD1-CD 4.25Å; L28-K46 HydrophobicContact CD1-CG 4.36Å; L28-K46 PolarHBondContact N-O 3.47Å; L28-A48 HydrophobicContact CD1-CB 3.56Å; L28-A48 HydrophobicContact CD2-CB 4.31Å; L28-A48 HydrophobicContact CG-CB 3.98Å; L28-Y106 HydrophobicContact CD1-CD2 4.22Å; L28-Y106 HydrophobicContact CD1-CE2 4.18Å; L28-Y106 HydrophobicContact CD2-CD1 4.28Å; L28-Y106 HydrophobicContact CD2-CD2 3.7Å; L28-Y106 HydrophobicContact CD2-CE1 4.09Å; L28-Y106 HydrophobicContact CD2-CE2 3.48Å; L28-Y106 VanDerWaalsContact CD2-CE2 3.48Å; L28-Y106 HydrophobicContact CD2-CG 4.1Å; L28-Y106 HydrophobicContact CG-CE2 4.49Å; L28-E108 HydrophobicContact CD1-CG 3.75Å
29E97.7Very high95.8Very high114 Ų11472.9 Ų72.953%0.53337%0.371SS..EExtended strand (participates in β ladder)trans-141.4138.8-174-170.1-174160.200110.7C45 K46E29-C45 CarbonylContact O-C 3.55Å; E29-C45 VanDerWaalsContact O-CA 3.28Å; E29-C45 WeakPolarHBondContact O-CA 3.36Å; E29-K46 HydrophobicContact CB-CB 4.04Å; E29-K46 PolarHBondContact N-O 3.5Å; E29-K46 PolarHBondContact O-N 2.71Å
30I96.8Very high95.8Very high48 Ų4869 Ų6925%0.24636%0.355CS..EExtended strand (participates in β ladder)trans-94.5110.1167.5-55.3-57000108.5V27 R43 C45 I66 P68V27-I30 HydrophobicContact CG1-CD1 3.76Å; I30-R43 VanDerWaalsContact CG2-CD 3.43Å; I30-R43 HydrophobicContact CG2-CG 3.77Å; I30-C45 HydrophobicContact CD1-CB 4.3Å; I30-I66 HydrophobicContact CD1-CB 4.4Å; I30-I66 HydrophobicContact CD1-CG2 3.81Å; I30-P68 HydrophobicContact CG1-CG 4.04Å
31G93.1Very high95.8Very high28 Ų2866.6 Ų66.629%0.28934%0.34SS..EExtended strand (participates in β ladder)trans-83.8-160178.300000113.2S44G31-S44 CarbonylContact C-O 3.57Å; G31-S44 WeakPolarHBondContact CA-O 3.49Å; G31-S44 PolarHBondContact N-O 3.03Å
32R89.4Confident95.8Very high215 Ų21566.8 Ų66.881%0.81134%0.341SS*.EExtended strand (participates in β ladder)trans-65.1139.7-173-61.7-176.8-177.3-166.60.6112S44R32-S44 PolarHBondContact O-N 2.84Å
33V94.4Very high95.7Very high70 Ų7068.2 Ų68.242%0.42435%0.345SS..EExtended strand (participates in β ladder)trans-89.8131.4166.9-176.90000108.6E41 V42 R43V33-E41 HydrophobicContact CG1-CB 4.31Å; V33-E41 HydrophobicContact CG1-CG 4.44Å; V33-V42 WeakPolarHBondContact CA-O 3.4Å; V33-R43 HydrophobicContact CG2-CB 4.42Å; V33-R43 HydrophobicContact CG2-CG 4.19Å
34T94.4Very high95.7Very high79 Ų7970.2 Ų70.249%0.48536%0.359SS..EExtended strand (participates in β ladder)trans-124.2144.5176.157.60000109.5E41 V42T34-E41 CarbonylContact O-C 3.59Å; T34-E41 WeakPolarHBondContact O-CA 3.33Å; T34-V42 PolarHBondContact N-O 2.9Å; T34-V42 PolarHBondContact O-N 3.05Å; T34-V42 PolarHBondContact OG1-O 3.48Å
35K95Very high95.6Very high148 Ų14868.8 Ų68.864%0.64335%0.351SS*.EExtended strand (participates in β ladder)trans-101.1132.1171.4-80.8-175.7176.8-175.90110.1H40 E41K35-H40 CarbonylContact C-O 3.47Å; K35-H40 WeakPolarHBondContact CA-O 3.45Å; K35-E41 HydrophobicContact CD-CG 4.32Å; K35-E41 VanDerWaalsContact CE-CG 3.43Å; K35-E41 WeakPolarHBondContact CE-OE1 3.21Å; K35-E41 HydrophobicContact CG-CG 3.82Å; K35-E41 IonicContact NZ-OE1 3.03Å; K35-E41 PolarHBondContact NZ-OE1 2.78Å
36T93.8Very high95.6Very high41 Ų4171 Ų7125%0.25236%0.36SS..  trans-73.7165.716970.90000110D38 G39 H40 V42 W59T36-D38 PolarHBondContact O-N 2.92Å; T36-D38 PolarHBondContact OG1-N 2.97Å; T36-G39 PolarHBondContact O-N 3.3Å; T36-H40 HydrophobicContact CG2-CB 4.3Å; T36-H40 PolarHBondContact N-O 3.34Å; T36-H40 WeakPolarHBondContact OG1-CB 3.44Å; T36-H40 PolarHBondContact OG1-N 2.77Å; T36-H40 PolarHBondContact OG1-O 3.22Å; T36-V42 HydrophobicContact CG2-CG2 3.92Å; T36-W59 HydrophobicContact CG2-CH2 3.81Å; T36-W59 HydrophobicContact CG2-CZ3 3.7Å
37K93.9Very high95.6Very high214 Ų21470.7 Ų70.793%0.9336%0.359SS*.THydrogen-bonded Turntrans-59.5-28.1176.9-64.7-176.1179.2-178.20112.6G39K37-G39 VanDerWaalsContact C-N 3.26Å; K37-G39 PolarHBondContact O-N 3.21Å
38D93.3Very high95.6Very high141 Ų14170.5 Ų70.575%0.75436%0.358SS*.THydrogen-bonded Turntrans-87.63.9-178-51.9-29000112.1T36T36-D38 PolarHBondContact O-N 2.92Å; T36-D38 PolarHBondContact OG1-N 2.97Å
39G94.1Very high95.6Very high50 Ų5069 Ų6952%0.51535%0.35SS..SBendtrans92.2-3.917500000115.5T36 K37T36-G39 PolarHBondContact O-N 3.3Å; K37-G39 VanDerWaalsContact C-N 3.26Å; K37-G39 PolarHBondContact O-N 3.21Å
40H95.9Very high95.6Very high74 Ų7469.9 Ų69.934%0.34335%0.352SS..  trans-70.4136.8178.3-70.1-77.5000111.9K35 T36 W59 D60K35-H40 CarbonylContact C-O 3.47Å; K35-H40 WeakPolarHBondContact CA-O 3.45Å; T36-H40 HydrophobicContact CG2-CB 4.3Å; T36-H40 PolarHBondContact N-O 3.34Å; T36-H40 WeakPolarHBondContact OG1-CB 3.44Å; T36-H40 PolarHBondContact OG1-N 2.77Å; T36-H40 PolarHBondContact OG1-O 3.22Å; H40-W59 HydrophobicContact CB-CE3 3.81Å; H40-W59 HydrophobicContact CB-CZ3 3.79Å; H40-D60 WeakPolarHBondContact CA-OD1 3.36Å; H40-D60 WeakPolarHBondContact CB-OD1 3.29Å; H40-D60 IonicContact CE1-OD2 3.76Å; H40-D60 IonicContact CG-OD1 3.54Å; H40-D60 VanDerWaalsContact ND1-CG 3.34Å; H40-D60 IonicContact ND1-OD1 2.9Å; H40-D60 PolarHBondContact ND1-OD1 3.07Å; H40-D60 IonicContact ND1-OD2 3.05Å; H40-D60 PolarHBondContact ND1-OD2 3.08Å
41E96.3Very high95.7Very high74 Ų7468.8 Ų68.835%0.34635%0.348SS..EExtended strand (participates in β ladder)trans-88.5135.7174.4-71.1-172.1178.300110.2V33 T34 K35 W59 D60V33-E41 HydrophobicContact CG1-CB 4.31Å; V33-E41 HydrophobicContact CG1-CG 4.44Å; T34-E41 CarbonylContact O-C 3.59Å; T34-E41 WeakPolarHBondContact O-CA 3.33Å; K35-E41 HydrophobicContact CD-CG 4.32Å; K35-E41 VanDerWaalsContact CE-CG 3.43Å; K35-E41 WeakPolarHBondContact CE-OE1 3.21Å; K35-E41 HydrophobicContact CG-CG 3.82Å; K35-E41 IonicContact NZ-OE1 3.03Å; K35-E41 PolarHBondContact NZ-OE1 2.78Å; E41-W59 CarbonylContact O-C 3.59Å; E41-W59 WeakPolarHBondContact O-CA 3.49Å; E41-D60 PolarHBondContact N-OD1 3.35Å; E41-D60 PolarHBondContact O-N 3.07Å
42V96.4Very high96Very high12 Ų1267.4 Ų67.47%0.07333%0.334CS..EExtended strand (participates in β ladder)trans-128.6123.6176.6-171.20000108.8V33 T34 T36 V58 W59V33-V42 WeakPolarHBondContact CA-O 3.4Å; T34-V42 PolarHBondContact N-O 2.9Å; T34-V42 PolarHBondContact O-N 3.05Å; T34-V42 PolarHBondContact OG1-O 3.48Å; T36-V42 HydrophobicContact CG2-CG2 3.92Å; V42-V58 WeakPolarHBondContact CA-O 3.08Å; V42-W59 HydrophobicContact CG2-CD2 3.61Å; V42-W59 HydrophobicContact CG2-CE3 3.59Å; V42-W59 HydrophobicContact CG2-CG 4.32Å; V42-W59 HydrophobicContact CG2-CH2 3.78Å; V42-W59 HydrophobicContact CG2-CZ2 3.8Å; V42-W59 HydrophobicContact CG2-CZ3 3.68Å
43R96.1Very high96.4Very high47 Ų4757.2 Ų57.218%0.17730%0.295CS..EExtended strand (participates in β ladder)trans-111.8123.7179.7-172.9176.8-78-174.91.5109.5I30 V33 V58 G63 G64I30-R43 VanDerWaalsContact CG2-CD 3.43Å; I30-R43 HydrophobicContact CG2-CG 3.77Å; V33-R43 HydrophobicContact CG2-CB 4.42Å; V33-R43 HydrophobicContact CG2-CG 4.19Å; R43-V58 PolarHBondContact N-O 2.78Å; R43-V58 PolarHBondContact O-N 2.84Å; R43-G63 VanDerWaalsContact CD-O 3.25Å; R43-G63 WeakPolarHBondContact CD-O 3.35Å; R43-G63 VanDerWaalsContact CZ-O 3.29Å; R43-G63 PolarHBondContact NH1-O 2.88Å; R43-G64 VanDerWaalsContact NH1-CA 3.31Å; R43-G64 PolarHBondContact NH1-O 2.86Å; R43-G64 VanDerWaalsContact NH1-O 3.15Å
44S96.1Very high96.6Very high42 Ų4253.9 Ų53.929%0.29428%0.275SS..EExtended strand (participates in β ladder)trans-88.1122.9172.6-720000109.3G31 R32 I56G31-S44 CarbonylContact C-O 3.57Å; G31-S44 WeakPolarHBondContact CA-O 3.49Å; G31-S44 PolarHBondContact N-O 3.03Å; R32-S44 PolarHBondContact O-N 2.84Å; S44-I56 CarbonylContact C-O 3.53Å; S44-I56 WeakPolarHBondContact CA-O 3.45Å
45C97.6Very high96.8Very high2 Ų251.7 Ų51.71%0.01426%0.262CS..EExtended strand (participates in β ladder)trans-118.1139.8178.1-49.70000110E29 I30 V47 T55 I56E29-C45 CarbonylContact O-C 3.55Å; E29-C45 VanDerWaalsContact O-CA 3.28Å; E29-C45 WeakPolarHBondContact O-CA 3.36Å; I30-C45 HydrophobicContact CD1-CB 4.3Å; C45-V47 HydrophobicContact CB-CG1 4.35Å; C45-T55 CarbonylContact O-C 3.58Å; C45-T55 WeakPolarHBondContact O-CA 3.32Å; C45-I56 HydrophobicContact CB-CG2 3.84Å; C45-I56 PolarHBondContact N-O 3.2Å; C45-I56 PolarHBondContact O-N 3.06Å
46K98.1Very high96.9Very high47 Ų4744.7 Ų44.720%0.20423%0.231CC..EExtended strand (participates in β ladder)trans-85125167.6-172.4-174.5-177.9-1740108L28 E29 S53 E108L28-K46 HydrophobicContact CB-CD 4.48Å; L28-K46 HydrophobicContact CB-CG 4.46Å; L28-K46 HydrophobicContact CD1-CD 4.25Å; L28-K46 HydrophobicContact CD1-CG 4.36Å; L28-K46 PolarHBondContact N-O 3.47Å; E29-K46 HydrophobicContact CB-CB 4.04Å; E29-K46 PolarHBondContact N-O 3.5Å; E29-K46 PolarHBondContact O-N 2.71Å; K46-S53 WeakPolarHBondContact CE-OG 3.35Å; K46-E108 IonicContact NZ-OE2 2.69Å; K46-E108 PolarHBondContact NZ-OE2 3.16Å
47V98.6Very high97.1Very high0 Ų043 Ų430%022%0.221CC..EExtended strand (participates in β ladder)trans-129.1155.2180-56.20000110.2F25 I26 V27 C45 S53 I54 I56F25-V47 HydrophobicContact CB-CB 4.1Å; F25-V47 HydrophobicContact CB-CG2 4.22Å; F25-V47 HydrophobicContact CD1-CG2 4.15Å; F25-V47 HydrophobicContact CD2-CB 3.45Å; F25-V47 VanDerWaalsContact CD2-CB 3.45Å; F25-V47 HydrophobicContact CD2-CG1 3.58Å; F25-V47 HydrophobicContact CD2-CG2 3.85Å; F25-V47 HydrophobicContact CE2-CB 3.98Å; F25-V47 HydrophobicContact CE2-CG1 3.62Å; F25-V47 HydrophobicContact CE2-CG2 4.22Å; F25-V47 HydrophobicContact CG-CB 3.81Å; F25-V47 HydrophobicContact CG-CG1 4.39Å; F25-V47 HydrophobicContact CG-CG2 3.81Å; F25-V47 HydrophobicContact CZ-CG1 4.46Å; I26-V47 CarbonylContact O-C 3.51Å; I26-V47 VanDerWaalsContact O-CA 3.26Å; I26-V47 WeakPolarHBondContact O-CA 3.49Å; V27-V47 HydrophobicContact CB-CG1 4.49Å; V27-V47 HydrophobicContact CG2-CG1 4.08Å; C45-V47 HydrophobicContact CB-CG1 4.35Å; V47-S53 CarbonylContact O-C 3.57Å; V47-S53 VanDerWaalsContact O-CA 3.22Å; V47-S53 WeakPolarHBondContact O-CA 3.48Å; V47-S53 WeakPolarHBondContact O-CB 3.46Å; V47-I54 HydrophobicContact CG2-CG2 3.71Å; V47-I54 WeakPolarHBondContact CG2-O 3.36Å; V47-I54 PolarHBondContact N-O 2.89Å; V47-I54 PolarHBondContact O-N 3.07Å; V47-I54 VanDerWaalsContact O-O 3.1Å; V47-I56 HydrophobicContact CG1-CG2 3.58Å; V47-I56 HydrophobicContact CG2-CB 4.42Å; V47-I56 HydrophobicContact CG2-CG2 4.17Å
48A98.7Very high97.2Very high0 Ų033 Ų330%018%0.178CC..EExtended strand (participates in β ladder)trans-145.5159-176.300000113.8F25 I26 L28 G52 Y106F25-A48 CarbonylContact C-O 3.53Å; F25-A48 VanDerWaalsContact CA-O 3.29Å; F25-A48 WeakPolarHBondContact CA-O 3.46Å; F25-A48 WeakPolarHBondContact CB-O 3.25Å; I26-A48 WeakPolarHBondContact CG2-O 2.77Å; I26-A48 PolarHBondContact N-O 3.15Å; I26-A48 PolarHBondContact O-N 3.26Å; L28-A48 HydrophobicContact CD1-CB 3.56Å; L28-A48 HydrophobicContact CD2-CB 4.31Å; L28-A48 HydrophobicContact CG-CB 3.98Å; A48-G52 WeakPolarHBondContact CA-O 3.43Å; A48-G52 WeakPolarHBondContact CB-O 3.48Å; A48-Y106 HydrophobicContact CB-CD2 4.1Å; A48-Y106 HydrophobicContact CB-CG 4.34Å
49D98.4Very high97.3Very high4 Ų431.7 Ų31.72%0.02116%0.162CC..EExtended strand (participates in β ladder)trans-132.2-175.316674.96.5000108.6F10 I11 T51 G52 M104 Y106 S107F10-D49 WeakPolarHBondContact CA-OD2 3.5Å; I11-D49 HydrophobicContact CD1-CB 3.91Å; I11-D49 VanDerWaalsContact CD1-N 3.34Å; I11-D49 HydrophobicContact CG1-CB 4.27Å; I11-D49 PolarHBondContact N-OD2 2.81Å; D49-T51 PolarHBondContact O-N 3.27Å; D49-T51 VanDerWaalsContact OD1-CA 3.31Å; D49-T51 WeakPolarHBondContact OD1-CA 3.47Å; D49-T51 VanDerWaalsContact OD1-CB 3.31Å; D49-T51 WeakPolarHBondContact OD1-CB 3.36Å; D49-T51 PolarHBondContact OD1-N 2.83Å; D49-T51 PolarHBondContact OD1-OG1 3.25Å; D49-T51 PolarHBondContact OD2-OG1 3.5Å; D49-G52 PolarHBondContact N-O 3.2Å; D49-G52 VanDerWaalsContact N-O 3.07Å; D49-G52 PolarHBondContact O-N 3.2Å; D49-G52 PolarHBondContact OD1-N 2.79Å; D49-M104 HydrophobicContact CB-CE 3.91Å; D49-Y106 CarbonylContact O-C 3.02Å; D49-Y106 WeakPolarHBondContact O-CA 3.47Å; D49-S107 PolarHBondContact O-N 2.87Å
50K98.1Very high97.4Very high131 Ų13132.3 Ų32.357%0.5715%0.154SC*.THydrogen-bonded Turntrans-60.3-12.2-179.969.7178.9-177.5-177.90114.9F10F10-K50 HydrophobicContact CE1-CD 4.4Å; F10-K50 HydrophobicContact CE1-CG 4.47Å; F10-K50 VanDerWaalsContact CZ-CE 3.47Å
51T98.5Very high97.4Very high25 Ų2536.8 Ų36.815%0.15318%0.175CC..THydrogen-bonded Turntrans-103.6-13.6-173.873.30000114.1F10 I11 R12 D49F10-T51 HydrophobicContact CB-CG2 3.71Å; F10-T51 HydrophobicContact CD1-CG2 3.91Å; F10-T51 HydrophobicContact CD2-CG2 4.46Å; F10-T51 HydrophobicContact CG-CG2 3.77Å; I11-T51 PolarHBondContact N-OG1 3.49Å; R12-T51 PolarHBondContact N-OG1 2.87Å; D49-T51 PolarHBondContact O-N 3.27Å; D49-T51 VanDerWaalsContact OD1-CA 3.31Å; D49-T51 WeakPolarHBondContact OD1-CA 3.47Å; D49-T51 VanDerWaalsContact OD1-CB 3.31Å; D49-T51 WeakPolarHBondContact OD1-CB 3.36Å; D49-T51 PolarHBondContact OD1-N 2.83Å; D49-T51 PolarHBondContact OD1-OG1 3.25Å; D49-T51 PolarHBondContact OD2-OG1 3.5Å
52G98.3Very high97.3Very high0 Ų037.6 Ų37.60%018%0.181CC..EExtended strand (participates in β ladder)trans150.4-168176.200000112.4A48 D49 S107 P110A48-G52 WeakPolarHBondContact CA-O 3.43Å; A48-G52 WeakPolarHBondContact CB-O 3.48Å; D49-G52 PolarHBondContact N-O 3.2Å; D49-G52 VanDerWaalsContact N-O 3.07Å; D49-G52 PolarHBondContact O-N 3.2Å; D49-G52 PolarHBondContact OD1-N 2.79Å; G52-S107 CarbonylContact C-O 3.59Å; G52-S107 WeakPolarHBondContact CA-O 3.4Å; G52-P110 WeakPolarHBondContact CA-O 3.28Å
53S98.5Very high97.2Very high0 Ų037 Ų370%018%0.178CC..EExtended strand (participates in β ladder)trans-118.6153.7-179.268.30000113.4K46 V47 E108 P110 N111 F112K46-S53 WeakPolarHBondContact CE-OG 3.35Å; V47-S53 CarbonylContact O-C 3.57Å; V47-S53 VanDerWaalsContact O-CA 3.22Å; V47-S53 WeakPolarHBondContact O-CA 3.48Å; V47-S53 WeakPolarHBondContact O-CB 3.46Å; S53-E108 WeakPolarHBondContact CB-O 3.27Å; S53-E108 PolarHBondContact OG-O 3.03Å; S53-P110 PolarHBondContact N-O 2.82Å; S53-N111 CarbonylContact O-C 3.6Å; S53-N111 WeakPolarHBondContact OG-CA 3.35Å; S53-N111 WeakPolarHBondContact OG-CB 3.38Å; S53-F112 WeakPolarHBondContact O-CD2 3.05Å; S53-F112 PolarHBondContact O-N 2.87Å
54I98.4Very high97.1Very high0 Ų036.4 Ų36.40%019%0.186CC..EExtended strand (participates in β ladder)trans-145.8156.5176.6-165.1172000109.3I11 I14 V47 L86 L88 F112 S113I11-I54 HydrophobicContact CD1-CG2 3.93Å; I11-I54 HydrophobicContact CG1-CG2 4.11Å; I11-I54 HydrophobicContact CG2-CB 3.81Å; I11-I54 HydrophobicContact CG2-CG2 3.91Å; I14-I54 HydrophobicContact CB-CD1 4.46Å; I14-I54 HydrophobicContact CD1-CD1 4.22Å; I14-I54 HydrophobicContact CG2-CD1 4.1Å; V47-I54 HydrophobicContact CG2-CG2 3.71Å; V47-I54 WeakPolarHBondContact CG2-O 3.36Å; V47-I54 PolarHBondContact N-O 2.89Å; V47-I54 PolarHBondContact O-N 3.07Å; V47-I54 VanDerWaalsContact O-O 3.1Å; I54-L86 HydrophobicContact CD1-CD2 4.28Å; I54-L86 HydrophobicContact CD1-CG 4.13Å; I54-L88 HydrophobicContact CD1-CB 4.38Å; I54-F112 HydrophobicContact CG1-CB 4.49Å; I54-S113 WeakPolarHBondContact CG1-OG 3.1Å
55T97.9Very high97.1Very high33 Ų3340.6 Ų40.620%0.20220%0.204CC..EExtended strand (participates in β ladder)trans-88.8131.7172.5-58.10000109.4C45 T87 L88 S113C45-T55 CarbonylContact O-C 3.58Å; C45-T55 WeakPolarHBondContact O-CA 3.32Å; T55-T87 HydrophobicContact CG2-CG2 4.35Å; T55-T87 WeakPolarHBondContact O-CA 3.46Å; T55-L88 PolarHBondContact O-N 2.87Å; T55-S113 VanDerWaalsContact CB-OG 3.32Å; T55-S113 WeakPolarHBondContact CB-OG 3.44Å; T55-S113 PolarHBondContact N-OG 2.82Å; T55-S113 VanDerWaalsContact OG1-CB 3.23Å; T55-S113 WeakPolarHBondContact OG1-CB 3.47Å; T55-S113 PolarHBondContact OG1-OG 2.92Å
56I98.1Very high97.1Very high2 Ų241 Ų411%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-112.1139.3168.4-171.4175.3000109.6F25 S44 C45 V47 V58 L74 L88 L96F25-I56 HydrophobicContact CE1-CD1 4.17Å; F25-I56 HydrophobicContact CZ-CD1 3.71Å; S44-I56 CarbonylContact C-O 3.53Å; S44-I56 WeakPolarHBondContact CA-O 3.45Å; C45-I56 HydrophobicContact CB-CG2 3.84Å; C45-I56 PolarHBondContact N-O 3.2Å; C45-I56 PolarHBondContact O-N 3.06Å; V47-I56 HydrophobicContact CG1-CG2 3.58Å; V47-I56 HydrophobicContact CG2-CB 4.42Å; V47-I56 HydrophobicContact CG2-CG2 4.17Å; I56-V58 HydrophobicContact CD1-CG2 4.11Å; I56-V58 HydrophobicContact CG1-CG2 4.02Å; I56-V58 HydrophobicContact CG2-CG2 4.18Å; I56-L74 HydrophobicContact CD1-CD2 4.43Å; I56-L88 WeakPolarHBondContact CA-O 3.26Å; I56-L88 HydrophobicContact CB-CB 4.09Å; I56-L88 HydrophobicContact CD1-CD2 4.2Å; I56-L88 HydrophobicContact CD1-CG 4.34Å; I56-L88 HydrophobicContact CG1-CB 4.06Å; I56-L88 HydrophobicContact CG1-CD2 4.43Å; I56-L88 HydrophobicContact CG1-CG 4.24Å; I56-L88 WeakPolarHBondContact CG1-O 3.28Å; I56-L96 HydrophobicContact CD1-CD2 4.01Å
57S97.4Very high97.1Very high5 Ų543.8 Ų43.84%0.03522%0.22CC..EExtended strand (participates in β ladder)trans-104118.5170.2-75.50000110.1L88S57-L88 PolarHBondContact N-O 3.28Å
58V97.1Very high97Very high3 Ų347.3 Ų47.32%0.01824%0.243CC..EExtended strand (participates in β ladder)trans-114.6137.9-177.9-168.90000109.6V42 R43 I56 I62 I66 L96V42-V58 WeakPolarHBondContact CA-O 3.08Å; R43-V58 PolarHBondContact N-O 2.78Å; R43-V58 PolarHBondContact O-N 2.84Å; I56-V58 HydrophobicContact CD1-CG2 4.11Å; I56-V58 HydrophobicContact CG1-CG2 4.02Å; I56-V58 HydrophobicContact CG2-CG2 4.18Å; V58-I62 HydrophobicContact CG1-CB 4.17Å; V58-I62 HydrophobicContact CG1-CG2 3.82Å; V58-I66 HydrophobicContact CB-CD1 4.07Å; V58-I66 HydrophobicContact CG1-CD1 3.84Å; V58-I66 HydrophobicContact CG2-CD1 3.71Å; V58-L96 HydrophobicContact CB-CD1 4.42Å; V58-L96 HydrophobicContact CG1-CD1 3.63Å; V58-L96 HydrophobicContact CG2-CD1 3.86Å
59W95.4Very high97Very high114 Ų11448.2 Ų48.243%0.43225%0.252SS..EExtended strand (participates in β ladder)trans-103.5148.3-171.1-68.367.7000111.6T36 H40 E41 V42 G63T36-W59 HydrophobicContact CG2-CH2 3.81Å; T36-W59 HydrophobicContact CG2-CZ3 3.7Å; H40-W59 HydrophobicContact CB-CE3 3.81Å; H40-W59 HydrophobicContact CB-CZ3 3.79Å; E41-W59 CarbonylContact O-C 3.59Å; E41-W59 WeakPolarHBondContact O-CA 3.49Å; V42-W59 HydrophobicContact CG2-CD2 3.61Å; V42-W59 HydrophobicContact CG2-CE3 3.59Å; V42-W59 HydrophobicContact CG2-CG 4.32Å; V42-W59 HydrophobicContact CG2-CH2 3.78Å; V42-W59 HydrophobicContact CG2-CZ2 3.8Å; V42-W59 HydrophobicContact CG2-CZ3 3.68Å; W59-G63 PolarHBondContact O-N 3.08Å
60D95.5Very high97Very high64 Ų6448.4 Ų48.434%0.34225%0.253SS..Hα-helixtrans52.8-144.4168.5-55.5-46.2000113.5H40 E41 I62 G63 G64H40-D60 WeakPolarHBondContact CA-OD1 3.36Å; H40-D60 WeakPolarHBondContact CB-OD1 3.29Å; H40-D60 IonicContact CE1-OD2 3.76Å; H40-D60 IonicContact CG-OD1 3.54Å; H40-D60 VanDerWaalsContact ND1-CG 3.34Å; H40-D60 IonicContact ND1-OD1 2.9Å; H40-D60 PolarHBondContact ND1-OD1 3.07Å; H40-D60 IonicContact ND1-OD2 3.05Å; H40-D60 PolarHBondContact ND1-OD2 3.08Å; E41-D60 PolarHBondContact N-OD1 3.35Å; E41-D60 PolarHBondContact O-N 3.07Å; D60-I62 PolarHBondContact O-N 3.17Å; D60-G63 WeakPolarHBondContact O-CA 3.44Å; D60-G63 PolarHBondContact O-N 3.21Å; D60-G64 PolarHBondContact O-N 3.26Å
61E95.1Very high97Very high168 Ų16843.2 Ų43.279%0.78523%0.231SC*.Hα-helixtrans-55.2-37.3-175.5-62.3178.7179.800112.5G63 G64 L65E61-G63 VanDerWaalsContact C-N 3.27Å; E61-G63 PolarHBondContact O-N 3.38Å; E61-G64 VanDerWaalsContact O-CA 3.3Å; E61-G64 WeakPolarHBondContact O-CA 3.36Å; E61-G64 PolarHBondContact O-N 2.95Å; E61-L65 WeakPolarHBondContact O-CG 3.34Å; E61-L65 PolarHBondContact O-N 3.28Å; E61-L65 VanDerWaalsContact O-N 3.15Å
62I94.4Very high97Very high90 Ų9042.3 Ų42.346%0.46223%0.225SC..Hα-helixtrans-60.9-40.2177.8-56.2-59000110.6V58 D60 G64 L65 I66 L96V58-I62 HydrophobicContact CG1-CB 4.17Å; V58-I62 HydrophobicContact CG1-CG2 3.82Å; D60-I62 PolarHBondContact O-N 3.17Å; I62-G64 VanDerWaalsContact C-N 3.26Å; I62-G64 PolarHBondContact O-N 3.35Å; I62-L65 PolarHBondContact O-N 2.95Å; I62-I66 WeakPolarHBondContact O-CG1 3.34Å; I62-L96 HydrophobicContact CG2-CB 4.43Å; I62-L96 HydrophobicContact CG2-CD1 4.03Å
63G94.4Very high97Very high1 Ų145 Ų451%0.0124%0.236CC..Hα-helixtrans-61.1-40.1173.500000111.4R43 W59 D60 E61 L65 I66R43-G63 VanDerWaalsContact CD-O 3.25Å; R43-G63 WeakPolarHBondContact CD-O 3.35Å; R43-G63 VanDerWaalsContact CZ-O 3.29Å; R43-G63 PolarHBondContact NH1-O 2.88Å; W59-G63 PolarHBondContact O-N 3.08Å; D60-G63 WeakPolarHBondContact O-CA 3.44Å; D60-G63 PolarHBondContact O-N 3.21Å; E61-G63 VanDerWaalsContact C-N 3.27Å; E61-G63 PolarHBondContact O-N 3.38Å; G63-L65 VanDerWaalsContact C-N 3.31Å; G63-L65 PolarHBondContact O-N 2.76Å; G63-I66 PolarHBondContact O-N 2.88Å
64G94.9Very high97Very high34 Ų3445 Ų4535%0.35124%0.236SC..Hα-helixtrans-55-38.8176.400000114.7R43 D60 E61 I62R43-G64 VanDerWaalsContact NH1-CA 3.31Å; R43-G64 PolarHBondContact NH1-O 2.86Å; R43-G64 VanDerWaalsContact NH1-O 3.15Å; D60-G64 PolarHBondContact O-N 3.26Å; E61-G64 VanDerWaalsContact O-CA 3.3Å; E61-G64 WeakPolarHBondContact O-CA 3.36Å; E61-G64 PolarHBondContact O-N 2.95Å; I62-G64 VanDerWaalsContact C-N 3.26Å; I62-G64 PolarHBondContact O-N 3.35Å
65L95.8Very high96.9Very high129 Ų12945.6 Ų45.668%0.67524%0.239SC*.Hα-helixtrans-79.8-21.1-173.6-63.3173.3000114.4E61 I62 G63E61-L65 WeakPolarHBondContact O-CG 3.34Å; E61-L65 PolarHBondContact O-N 3.28Å; E61-L65 VanDerWaalsContact O-N 3.15Å; I62-L65 PolarHBondContact O-N 2.95Å; G63-L65 VanDerWaalsContact C-N 3.31Å; G63-L65 PolarHBondContact O-N 2.76Å
66I96.9Very high96.8Very high11 Ų1149 Ų496%0.05625%0.248CC..  trans-72.6134-175-63.4172.5000111V27 I30 V58 I62 G63 I72 L96V27-I66 HydrophobicContact CB-CG2 4.35Å; V27-I66 HydrophobicContact CG1-CG2 3.97Å; V27-I66 HydrophobicContact CG2-CG2 3.71Å; I30-I66 HydrophobicContact CD1-CB 4.4Å; I30-I66 HydrophobicContact CD1-CG2 3.81Å; V58-I66 HydrophobicContact CB-CD1 4.07Å; V58-I66 HydrophobicContact CG1-CD1 3.84Å; V58-I66 HydrophobicContact CG2-CD1 3.71Å; I62-I66 WeakPolarHBondContact O-CG1 3.34Å; G63-I66 PolarHBondContact O-N 2.88Å; I66-I72 HydrophobicContact CD1-CD1 4.15Å; I66-I72 HydrophobicContact CG1-CD1 3.95Å; I66-I72 HydrophobicContact CG2-CD1 4Å; I66-L96 HydrophobicContact CD1-CD1 4.23Å
67Q97.8Very high96.8Very high105 Ų10549 Ų4949%0.49125%0.248SC..  trans-120.7153.7176-61-58-44.900112.2V27 G69 D70V27-Q67 WeakPolarHBondContact CB-O 3.3Å; Q67-G69 PolarHBondContact O-N 2.89Å; Q67-D70 PolarHBondContact N-OD2 2.99Å; Q67-D70 WeakPolarHBondContact O-CB 3.14Å; Q67-D70 VanDerWaalsContact O-CG 3.31Å; Q67-D70 PolarHBondContact O-N 2.84Å
68P98.1Very high96.8Very high74 Ų7452.9 Ų52.948%0.48126%0.263SS..THydrogen-bonded Turntrans-55.1138.8166.8-22.333.5000111.2I30 D70I30-P68 HydrophobicContact CG1-CG 4.04Å; P68-D70 VanDerWaalsContact C-N 3.34Å
69G98.2Very high96.9Very high19 Ų1952.8 Ų52.820%0.19626%0.262CS..THydrogen-bonded Turntrans88.5-11.3-177.100000114.8V27 Q67 I71 E101 F102V27-G69 PolarHBondContact O-N 2.87Å; Q67-G69 PolarHBondContact O-N 2.89Å; G69-I71 PolarHBondContact O-N 2.94Å; G69-E101 CarbonylContact O-C 3.54Å; G69-E101 WeakPolarHBondContact O-CA 3.49Å; G69-F102 PolarHBondContact O-N 2.81Å
70D98.5Very high96.9Very high9 Ų949.8 Ų49.85%0.04826%0.259CS..EExtended strand (participates in β ladder)trans-62.8134.8175.7-75.7-18000111.3I26 V27 Q67 P68 I72 K98I26-D70 CarbonylContact C-O 3.53Å; I26-D70 WeakPolarHBondContact CA-O 3.33Å; V27-D70 HydrophobicContact CB-CB 4.49Å; V27-D70 HydrophobicContact CG2-CB 4.12Å; V27-D70 PolarHBondContact N-O 3.39Å; Q67-D70 PolarHBondContact N-OD2 2.99Å; Q67-D70 WeakPolarHBondContact O-CB 3.14Å; Q67-D70 VanDerWaalsContact O-CG 3.31Å; Q67-D70 PolarHBondContact O-N 2.84Å; P68-D70 VanDerWaalsContact C-N 3.34Å; D70-I72 HydrophobicContact CB-CD1 4.1Å; D70-I72 HydrophobicContact CB-CG1 4.01Å; D70-K98 HydrophobicContact CB-CD 4.48Å; D70-K98 WeakPolarHBondContact OD1-CE 3.43Å; D70-K98 IonicContact OD1-NZ 2.84Å; D70-K98 PolarHBondContact OD1-NZ 2.66Å
71I98.4Very high96.8Very high21 Ų2149.2 Ų49.211%0.10826%0.255CS..EExtended strand (participates in β ladder)trans-98116.2169.3-55.2167.3000107.4V24 F25 I26 G69 K98 I99 G100 M104V24-I71 HydrophobicContact CG1-CG2 3.93Å; F25-I71 WeakPolarHBondContact O-CA 3.2Å; I26-I71 HydrophobicContact CG1-CG1 4.44Å; G69-I71 PolarHBondContact O-N 2.94Å; I71-K98 WeakPolarHBondContact O-CA 3.31Å; I71-I99 HydrophobicContact CB-CG1 4.3Å; I71-I99 HydrophobicContact CG2-CD1 4.02Å; I71-I99 HydrophobicContact CG2-CG1 3.75Å; I71-I99 WeakPolarHBondContact O-CG1 3.49Å; I71-I99 PolarHBondContact O-N 2.59Å; I71-G100 PolarHBondContact N-O 2.73Å; I71-G100 PolarHBondContact O-N 3.06Å; I71-M104 HydrophobicContact CD1-CB 3.7Å; I71-M104 HydrophobicContact CG1-CB 3.86Å; I71-M104 HydrophobicContact CG2-SD 3.85Å
72I98.4Very high96.6Very high6 Ų648 Ų483%0.03124%0.243CC..EExtended strand (participates in β ladder)trans-121.5133.5-172.6-60.2177.6000109.8V24 F25 V27 I66 D70 L96 Q97V24-I72 WeakPolarHBondContact CA-O 3.42Å; F25-I72 HydrophobicContact CD2-CB 4.29Å; F25-I72 HydrophobicContact CE2-CB 3.71Å; F25-I72 HydrophobicContact CE2-CD1 4.44Å; F25-I72 HydrophobicContact CE2-CG2 4.15Å; F25-I72 HydrophobicContact CZ-CB 4.13Å; F25-I72 HydrophobicContact CZ-CG2 4.07Å; F25-I72 PolarHBondContact N-O 2.89Å; F25-I72 PolarHBondContact O-N 3.39Å; V27-I72 HydrophobicContact CG2-CD1 3.82Å; V27-I72 HydrophobicContact CG2-CG1 4.43Å; I66-I72 HydrophobicContact CD1-CD1 4.15Å; I66-I72 HydrophobicContact CG1-CD1 3.95Å; I66-I72 HydrophobicContact CG2-CD1 4Å; D70-I72 HydrophobicContact CB-CD1 4.1Å; D70-I72 HydrophobicContact CB-CG1 4.01Å; I72-L96 HydrophobicContact CG2-CB 3.94Å; I72-L96 HydrophobicContact CG2-CD2 3.79Å; I72-L96 HydrophobicContact CG2-CG 4.44Å; I72-Q97 CarbonylContact C-O 3.58Å; I72-Q97 WeakPolarHBondContact CA-O 3.31Å
73R97.8Very high96.3Very high58 Ų5851.6 Ų51.622%0.21926%0.255CS..EExtended strand (participates in β ladder)trans-94.3113.9165.9-176.3171.166.7-1761.8109.2V23 V24 T75 Q97 I99V23-R73 WeakPolarHBondContact O-CA 3.31Å; V24-R73 HydrophobicContact CG2-CB 4.1Å; V24-R73 HydrophobicContact CG2-CG 4Å; R73-T75 HydrophobicContact CG-CG2 4.22Å; R73-Q97 PolarHBondContact N-O 2.73Å; R73-Q97 PolarHBondContact O-N 3.34Å; R73-I99 HydrophobicContact CB-CD1 4.3Å; R73-I99 HydrophobicContact CB-CG2 4.04Å
74L97.9Very high96.1Very high0 Ų052 Ų520%026%0.259CS..EExtended strand (participates in β ladder)trans-86129.3165.5172.662000109.2N22 V23 F25 I56 L88 T90 L96N22-L74 CarbonylContact C-O 3.53Å; N22-L74 VanDerWaalsContact CA-O 3.3Å; N22-L74 WeakPolarHBondContact CA-O 3.4Å; V23-L74 PolarHBondContact N-O 3.37Å; V23-L74 PolarHBondContact O-N 2.82Å; F25-L74 HydrophobicContact CE1-CB 3.84Å; F25-L74 HydrophobicContact CZ-CB 4.45Å; I56-L74 HydrophobicContact CD1-CD2 4.43Å; L74-L88 HydrophobicContact CD2-CD1 3.8Å; L74-L88 HydrophobicContact CD2-CD2 3.53Å; L74-L88 HydrophobicContact CD2-CG 3.58Å; L74-T90 HydrophobicContact CD1-CG2 4.21Å; L74-L96 HydrophobicContact CB-CD2 3.77Å; L74-L96 HydrophobicContact CD1-CD2 3.59Å; L74-L96 HydrophobicContact CD1-CG 4.32Å; L74-L96 HydrophobicContact CG-CD2 4.19Å
75T97.2Very high95.9Very high11 Ų1151.9 Ų51.97%0.06725%0.253CS..EExtended strand (participates in β ladder)trans-114.7145.2168.366.60000111.3N22 R73 G77 G94 E95N22-T75 VanDerWaalsContact OD1-CA 3.28Å; N22-T75 WeakPolarHBondContact OD1-CA 3.25Å; R73-T75 HydrophobicContact CG-CG2 4.22Å; T75-G77 PolarHBondContact O-N 2.86Å; T75-G77 VanDerWaalsContact O-N 3.17Å; T75-G94 WeakPolarHBondContact O-CA 3.39Å; T75-E95 PolarHBondContact N-O 2.92Å; T75-E95 PolarHBondContact O-N 2.98Å; T75-E95 PolarHBondContact OG1-N 2.91Å
76R96.1Very high95.9Very high106 Ų10646.3 Ų46.340%0.422%0.224SC..EExtended strand (participates in β ladder)trans5039.3-179.5-55.5172176.4-178.5-5.7113.2L21 N22 G91 G93L21-R76 PolarHBondContact O-N 2.98Å; L21-R76 VanDerWaalsContact O-N 3.08Å; N22-R76 PolarHBondContact OD1-N 3.3Å; N22-R76 VanDerWaalsContact OD1-N 3.07Å; R76-G91 WeakPolarHBondContact O-CA 3.19Å; R76-G91 PolarHBondContact O-N 3.5Å; R76-G91 VanDerWaalsContact O-N 3.08Å; R76-G93 WeakPolarHBondContact CD-O 3.38Å; R76-G93 PolarHBondContact NH1-O 3.39Å
77G97.6Very high95.9Very high0 Ų046 Ų460%022%0.222CC..EExtended strand (participates in β ladder)trans-68.5169.9171.800000112.8K19 N20 L21 T75 Y89K19-G77 CarbonylContact C-O 3.59Å; N20-G77 PolarHBondContact N-O 2.82Å; L21-G77 PolarHBondContact N-O 3.07Å; L21-G77 PolarHBondContact O-N 3.34Å; T75-G77 PolarHBondContact O-N 2.86Å; T75-G77 VanDerWaalsContact O-N 3.17Å; G77-Y89 CarbonylContact C-O 3.57Å; G77-Y89 WeakPolarHBondContact CA-O 3.5Å
78Y98Very high95.9Very high87 Ų8741 Ų4134%0.34120%0.199SC..EExtended strand (participates in β ladder)trans-142.1155.3167.870.3-85.9000110.6L18 Y89 T90L18-Y78 VanDerWaalsContact O-CA 3.25Å; L18-Y78 WeakPolarHBondContact O-CA 3.43Å; L18-Y78 WeakPolarHBondContact O-CB 3.35Å; Y78-Y89 HydrophobicContact CD2-CD2 4.02Å; Y78-Y89 HydrophobicContact CD2-CG 4.44Å; Y78-Y89 HydrophobicContact CE1-CG 4.17Å; Y78-Y89 AromaticContact CE2-CD2 3.43Å; Y78-Y89 HydrophobicContact CE2-CD2 3.43Å; Y78-Y89 VanDerWaalsContact CE2-CD2 3.43Å; Y78-Y89 HydrophobicContact CE2-CE2 4.28Å; Y78-Y89 AromaticContact CE2-CG 3.68Å; Y78-Y89 HydrophobicContact CE2-CG 3.68Å; Y78-Y89 AromaticContact CZ-CD2 3.82Å; Y78-Y89 AromaticContact CZ-CG 3.53Å; Y78-Y89 PolarHBondContact N-O 2.98Å; Y78-Y89 PolarHBondContact O-N 2.85Å; Y78-Y89 WeakPolarHBondContact OH-CB 3.32Å; Y78-T90 WeakPolarHBondContact CE1-O 3.3Å
79A97.8Very high95.9Very high2 Ų238.5 Ų38.52%0.01718%0.18CC..EExtended strand (participates in β ladder)trans-114.9136.2177.500000110.7I14 G17 L18 L21 L86 T87I14-A79 HydrophobicContact CG2-CB 3.37Å; G17-A79 PolarHBondContact N-O 2.88Å; L18-A79 PolarHBondContact O-N 2.83Å; L21-A79 HydrophobicContact CD1-CB 4Å; A79-L86 HydrophobicContact CB-CD1 3.85Å; A79-T87 WeakPolarHBondContact CA-O 3.4Å
80S96.4Very high95.9Very high50 Ų5040 Ų4035%0.3519%0.185SC..EExtended strand (participates in β ladder)trans-143.7155.4178.6-174.10000110.7T87S80-T87 PolarHBondContact N-O 2.83Å; S80-T87 PolarHBondContact O-N 3.19Å
81M93.8Very high95.7Very high53 Ų5340.2 Ų40.226%0.26119%0.19SC..EExtended strand (participates in β ladder)trans-75.7132.8169.7-62.9-52.6-6600110P16 G84 C85 L86 Y119P16-M81 HydrophobicContact CB-CG 4.04Å; P16-M81 HydrophobicContact CB-SD 4.25Å; P16-M81 HydrophobicContact CG-CG 4.03Å; P16-M81 HydrophobicContact CG-SD 3.68Å; M81-G84 WeakPolarHBondContact CE-O 3.34Å; M81-C85 WeakPolarHBondContact CA-O 3.23Å; M81-L86 HydrophobicContact SD-CB 3.87Å; M81-L86 HydrophobicContact SD-CD1 4.19Å; M81-Y119 HydrophobicContact CE-CD2 3.56Å; M81-Y119 HydrophobicContact CE-CE2 4.26Å; M81-Y119 HydrophobicContact CE-CG 3.87Å; M81-Y119 HydrophobicContact SD-CD2 4.44Å
82W89.6Confident95.5Very high143 Ų14348.1 Ų48.154%0.54222%0.218SC..EExtended strand (participates in β ladder)trans-134.8118.4172.6176-108.5000109.8G84 C85 Y89W82-G84 PolarHBondContact O-N 3.25Å; W82-G84 VanDerWaalsContact O-N 3.11Å; W82-C85 PolarHBondContact N-O 2.86Å; W82-C85 WeakPolarHBondContact O-CB 3.22Å; W82-C85 PolarHBondContact O-N 2.72Å; W82-Y89 VanDerWaalsContact CB-OH 3.3Å; W82-Y89 WeakPolarHBondContact CB-OH 3.29Å
83K88Confident95.2Very high164 Ų16450.3 Ų50.371%0.71324%0.242SC*.THydrogen-bonded Turntrans49.137.9-176.4-60-178.3177.3-1790113.2C85K83-C85 VanDerWaalsContact C-N 3.32Å
84G90Very high95.1Very high10 Ų1048.4 Ų48.410%0.10324%0.24CC..THydrogen-bonded Turntrans81.71.5-178.400000115.6M81 W82 P115 N116M81-G84 WeakPolarHBondContact CE-O 3.34Å; W82-G84 PolarHBondContact O-N 3.25Å; W82-G84 VanDerWaalsContact O-N 3.11Å; G84-P115 WeakPolarHBondContact O-CA 3.36Å; G84-N116 PolarHBondContact O-N 2.84Å
85C92.3Very high95Very high31 Ų3152 Ų5221%0.20926%0.258CS..EExtended strand (participates in β ladder)trans-106.8129.5179.4-52.20000110.4M81 W82 K83 T87 S113M81-C85 WeakPolarHBondContact CA-O 3.23Å; W82-C85 PolarHBondContact N-O 2.86Å; W82-C85 WeakPolarHBondContact O-CB 3.22Å; W82-C85 PolarHBondContact O-N 2.72Å; K83-C85 VanDerWaalsContact C-N 3.32Å; C85-T87 PolarHBondContact O-N 2.94Å; C85-T87 PolarHBondContact O-OG1 3.24Å; C85-S113 VanDerWaalsContact CB-O 3.27Å; C85-S113 WeakPolarHBondContact CB-O 3.5Å
86L95.9Very high95Very high13 Ų1353.2 Ų53.27%0.06826%0.263CS..EExtended strand (participates in β ladder)trans-66.9118.9170.2176.759000108.7I14 P16 I54 A79 M81 F112 S113I14-L86 HydrophobicContact CG2-CD2 4.38Å; P16-L86 HydrophobicContact CB-CD1 4.32Å; P16-L86 HydrophobicContact CG-CD1 3.97Å; I54-L86 HydrophobicContact CD1-CD2 4.28Å; I54-L86 HydrophobicContact CD1-CG 4.13Å; A79-L86 HydrophobicContact CB-CD1 3.85Å; M81-L86 HydrophobicContact SD-CB 3.87Å; M81-L86 HydrophobicContact SD-CD1 4.19Å; L86-F112 WeakPolarHBondContact CB-O 3.49Å; L86-F112 HydrophobicContact CD2-CB 4.46Å; L86-S113 WeakPolarHBondContact O-CB 3.36Å; L86-S113 PolarHBondContact O-OG 3.47Å
87T97.1Very high95Very high4 Ų452 Ų523%0.02526%0.262CS..EExtended strand (participates in β ladder)trans-125.8136.4-173.9-53.20000110.2T55 A79 S80 C85 Y89T55-T87 HydrophobicContact CG2-CG2 4.35Å; T55-T87 WeakPolarHBondContact O-CA 3.46Å; A79-T87 WeakPolarHBondContact CA-O 3.4Å; S80-T87 PolarHBondContact N-O 2.83Å; S80-T87 PolarHBondContact O-N 3.19Å; C85-T87 PolarHBondContact O-N 2.94Å; C85-T87 PolarHBondContact O-OG1 3.24Å; T87-Y89 HydrophobicContact CG2-CD2 4.49Å; T87-Y89 HydrophobicContact CG2-CE1 4.14Å; T87-Y89 HydrophobicContact CG2-CE2 3.82Å; T87-Y89 VanDerWaalsContact O-CD2 3.31Å; T87-Y89 WeakPolarHBondContact O-CD2 3.39Å; T87-Y89 VanDerWaalsContact O-CE2 3.29Å; T87-Y89 WeakPolarHBondContact O-CE2 3.39Å
88L98Very high95Very high0 Ų057.1 Ų57.10%028%0.284CS..EExtended strand (participates in β ladder)trans-88.4144.3175.5-170.963.6000110.4I14 L21 F25 I54 T55 I56 S57 L74I14-L88 HydrophobicContact CD1-CD1 4.46Å; L21-L88 HydrophobicContact CD1-CD1 3.86Å; F25-L88 HydrophobicContact CE1-CD2 4.11Å; I54-L88 HydrophobicContact CD1-CB 4.38Å; T55-L88 PolarHBondContact O-N 2.87Å; I56-L88 WeakPolarHBondContact CA-O 3.26Å; I56-L88 HydrophobicContact CB-CB 4.09Å; I56-L88 HydrophobicContact CD1-CD2 4.2Å; I56-L88 HydrophobicContact CD1-CG 4.34Å; I56-L88 HydrophobicContact CG1-CB 4.06Å; I56-L88 HydrophobicContact CG1-CD2 4.43Å; I56-L88 HydrophobicContact CG1-CG 4.24Å; I56-L88 WeakPolarHBondContact CG1-O 3.28Å; S57-L88 PolarHBondContact N-O 3.28Å; L74-L88 HydrophobicContact CD2-CD1 3.8Å; L74-L88 HydrophobicContact CD2-CD2 3.53Å; L74-L88 HydrophobicContact CD2-CG 3.58Å
89Y98.1Very high94.9Very high22 Ų2257.1 Ų57.19%0.08629%0.29CS..EExtended strand (participates in β ladder)trans-140.8154.8-179-61.6-86.9000110.8G77 Y78 W82 T87G77-Y89 CarbonylContact C-O 3.57Å; G77-Y89 WeakPolarHBondContact CA-O 3.5Å; Y78-Y89 HydrophobicContact CD2-CD2 4.02Å; Y78-Y89 HydrophobicContact CD2-CG 4.44Å; Y78-Y89 HydrophobicContact CE1-CG 4.17Å; Y78-Y89 AromaticContact CE2-CD2 3.43Å; Y78-Y89 HydrophobicContact CE2-CD2 3.43Å; Y78-Y89 VanDerWaalsContact CE2-CD2 3.43Å; Y78-Y89 HydrophobicContact CE2-CE2 4.28Å; Y78-Y89 AromaticContact CE2-CG 3.68Å; Y78-Y89 HydrophobicContact CE2-CG 3.68Å; Y78-Y89 AromaticContact CZ-CD2 3.82Å; Y78-Y89 AromaticContact CZ-CG 3.53Å; Y78-Y89 PolarHBondContact N-O 2.98Å; Y78-Y89 PolarHBondContact O-N 2.85Å; Y78-Y89 WeakPolarHBondContact OH-CB 3.32Å; W82-Y89 VanDerWaalsContact CB-OH 3.3Å; W82-Y89 WeakPolarHBondContact CB-OH 3.29Å; T87-Y89 HydrophobicContact CG2-CD2 4.49Å; T87-Y89 HydrophobicContact CG2-CE1 4.14Å; T87-Y89 HydrophobicContact CG2-CE2 3.82Å; T87-Y89 VanDerWaalsContact O-CD2 3.31Å; T87-Y89 WeakPolarHBondContact O-CD2 3.39Å; T87-Y89 VanDerWaalsContact O-CE2 3.29Å; T87-Y89 WeakPolarHBondContact O-CE2 3.39Å
90T97.1Very high94.9Very high50 Ų5058.3 Ų58.331%0.30730%0.301SS..EExtended strand (participates in β ladder)trans-76.7121.3169.9-50.60000109.9L74 Y78L74-T90 HydrophobicContact CD1-CG2 4.21Å; Y78-T90 WeakPolarHBondContact CE1-O 3.3Å
91G95.1Very high94.9Very high14 Ų1461.7 Ų61.714%0.14431%0.312CS..EExtended strand (participates in β ladder)trans-83.1178179.600000113.8R76 G93 G94R76-G91 WeakPolarHBondContact O-CA 3.19Å; R76-G91 PolarHBondContact O-N 3.5Å; R76-G91 VanDerWaalsContact O-N 3.08Å; G91-G93 PolarHBondContact O-N 3.3Å; G91-G94 PolarHBondContact O-N 2.86Å
92R93.8Very high94.5Very high187 Ų18767.6 Ų67.671%0.70634%0.336SS*.EExtended strand (participates in β ladder)trans-63.5119.9-177.8-173.1179-176-147-3111.1G94 R200R92-G94 PolarHBondContact O-N 2.69Å; R92-R200 VanDerWaalsContact NH2-CB 3.27Å
93G92.5Very high94.6Very high51 Ų5166.2 Ų66.253%0.52635%0.347SS..EExtended strand (participates in β ladder)trans67.617.4-176.400000113.4R76 G91R76-G93 WeakPolarHBondContact CD-O 3.38Å; R76-G93 PolarHBondContact NH1-O 3.39Å; G91-G93 PolarHBondContact O-N 3.3Å
94G95Very high95Very high18 Ų1860.3 Ų60.319%0.18632%0.323CS..EExtended strand (participates in β ladder)trans-86.9166.5164.200000111.5T75 G91 R92T75-G94 WeakPolarHBondContact O-CA 3.39Å; G91-G94 PolarHBondContact O-N 2.86Å; R92-G94 PolarHBondContact O-N 2.69Å
95E95.6Very high95.3Very high77 Ų7765.7 Ų65.736%0.3635%0.353SS..EExtended strand (participates in β ladder)trans-147.6155.3-178.477.3-153151.600111R3 T75R3-E95 IonicContact CZ-OE1 3.95Å; R3-E95 VanDerWaalsContact NH1-CD 3.32Å; R3-E95 IonicContact NH1-OE1 2.78Å; R3-E95 PolarHBondContact NH1-OE1 3.35Å; R3-E95 IonicContact NH1-OE2 3.35Å; R3-E95 PolarHBondContact NH1-OE2 2.78Å; T75-E95 PolarHBondContact N-O 2.92Å; T75-E95 PolarHBondContact O-N 2.98Å; T75-E95 PolarHBondContact OG1-N 2.91Å
96L96.9Very high95.6Very high35 Ų3569.2 Ų69.218%0.18336%0.363CS..EExtended strand (participates in β ladder)trans-104.4122168.3-68.2173.1000107.7F25 I56 V58 I62 I66 I72 L74F25-L96 HydrophobicContact CZ-CD2 4.14Å; I56-L96 HydrophobicContact CD1-CD2 4.01Å; V58-L96 HydrophobicContact CB-CD1 4.42Å; V58-L96 HydrophobicContact CG1-CD1 3.63Å; V58-L96 HydrophobicContact CG2-CD1 3.86Å; I62-L96 HydrophobicContact CG2-CB 4.43Å; I62-L96 HydrophobicContact CG2-CD1 4.03Å; I66-L96 HydrophobicContact CD1-CD1 4.23Å; I72-L96 HydrophobicContact CG2-CB 3.94Å; I72-L96 HydrophobicContact CG2-CD2 3.79Å; I72-L96 HydrophobicContact CG2-CG 4.44Å; L74-L96 HydrophobicContact CB-CD2 3.77Å; L74-L96 HydrophobicContact CD1-CD2 3.59Å; L74-L96 HydrophobicContact CD1-CG 4.32Å; L74-L96 HydrophobicContact CG-CD2 4.19Å
97Q96.9Very high95.7Very high81 Ų8170.6 Ų70.638%0.37937%0.374SS..EExtended strand (participates in β ladder)trans-120.3117.7178.9-174.317724.900109.6I72 R73 I99I72-Q97 CarbonylContact C-O 3.58Å; I72-Q97 WeakPolarHBondContact CA-O 3.31Å; R73-Q97 PolarHBondContact N-O 2.73Å; R73-Q97 PolarHBondContact O-N 3.34Å; Q97-I99 HydrophobicContact CB-CG2 4.5Å; Q97-I99 HydrophobicContact CG-CG2 4.09Å; Q97-I99 PolarHBondContact O-N 3.44Å
98K97Very high95.7Very high107 Ų10774.6 Ų74.647%0.46539%0.392SS..EExtended strand (participates in β ladder)trans-65.8123.3167-178.3172.3173.2166.50108.4D70 I71 G100 E101D70-K98 HydrophobicContact CB-CD 4.48Å; D70-K98 WeakPolarHBondContact OD1-CE 3.43Å; D70-K98 IonicContact OD1-NZ 2.84Å; D70-K98 PolarHBondContact OD1-NZ 2.66Å; I71-K98 WeakPolarHBondContact O-CA 3.31Å; K98-G100 WeakPolarHBondContact CE-O 3.47Å; K98-E101 IonicContact NZ-OE2 2.69Å; K98-E101 PolarHBondContact NZ-OE2 2.98Å
99I97.1Very high95.7Very high88 Ų8879.8 Ų79.845%0.45142%0.424SS..EExtended strand (participates in β ladder)trans-117.4-7.4-179.162.5167.2000112.8V24 I71 R73 Q97V24-I99 HydrophobicContact CG1-CD1 3.87Å; V24-I99 HydrophobicContact CG2-CD1 4.33Å; I71-I99 HydrophobicContact CB-CG1 4.3Å; I71-I99 HydrophobicContact CG2-CD1 4.02Å; I71-I99 HydrophobicContact CG2-CG1 3.75Å; I71-I99 WeakPolarHBondContact O-CG1 3.49Å; I71-I99 PolarHBondContact O-N 2.59Å; R73-I99 HydrophobicContact CB-CD1 4.3Å; R73-I99 HydrophobicContact CB-CG2 4.04Å; Q97-I99 HydrophobicContact CB-CG2 4.5Å; Q97-I99 HydrophobicContact CG-CG2 4.09Å; Q97-I99 PolarHBondContact O-N 3.44Å
100G96.5Very high95.6Very high26 Ų2681.9 Ų81.927%0.26844%0.44SS..EExtended strand (participates in β ladder)trans175.8-167.9178.500000112.1I71 K98I71-G100 PolarHBondContact N-O 2.73Å; I71-G100 PolarHBondContact O-N 3.06Å; K98-G100 WeakPolarHBondContact CE-O 3.47Å
101E96Very high95.6Very high122 Ų12281.5 Ų81.557%0.5744%0.436SS*.EExtended strand (participates in β ladder)trans-153.3155.6175.860.5-165.4-165.100111.7G69 K98 C103G69-E101 CarbonylContact O-C 3.54Å; G69-E101 WeakPolarHBondContact O-CA 3.49Å; K98-E101 IonicContact NZ-OE2 2.69Å; K98-E101 PolarHBondContact NZ-OE2 2.98Å; E101-C103 PolarHBondContact O-N 3.31Å
102F85.3Confident95.6Very high176 Ų17683.5 Ų83.577%0.77244%0.441SS*.SBendtrans64.5-44.5169.7-162.9-101.5000118.1G69 M104G69-F102 PolarHBondContact O-N 2.81Å; F102-M104 VanDerWaalsContact C-N 3.33Å; F102-M104 PolarHBondContact O-N 3.02Å
103C92.3Very high95.7Very high114 Ų11474.8 Ų74.877%0.7741%0.409SS*.  trans-87.517.2-164.9-63.60000115.6E101E101-C103 PolarHBondContact O-N 3.31Å
104M95.7Very high95.6Very high41 Ų4178.5 Ų78.520%0.20241%0.412CS..  trans-91.2129.2178.7-179.6169.8178.400111V24 I26 D49 I71 F102 Y106V24-M104 HydrophobicContact CG1-CE 4.21Å; V24-M104 HydrophobicContact CG1-SD 4.11Å; V24-M104 WeakPolarHBondContact O-CE 3.34Å; I26-M104 HydrophobicContact CB-CB 4.16Å; I26-M104 HydrophobicContact CB-CG 4.4Å; I26-M104 HydrophobicContact CB-SD 4.13Å; I26-M104 HydrophobicContact CD1-CB 4.29Å; D49-M104 HydrophobicContact CB-CE 3.91Å; I71-M104 HydrophobicContact CD1-CB 3.7Å; I71-M104 HydrophobicContact CG1-CB 3.86Å; I71-M104 HydrophobicContact CG2-SD 3.85Å; F102-M104 VanDerWaalsContact C-N 3.33Å; F102-M104 PolarHBondContact O-N 3.02Å; M104-Y106 WeakPolarHBondContact O-CD1 3.4Å
105V96.8Very high94.9Very high122 Ų12282 Ų8274%0.73943%0.432SS*.  trans-71.2129.3172.1-179.60000109.9
106Y98.3Very high93.5Very high106 Ų10680.8 Ų80.842%0.41643%0.428SS..  trans-139.4162.1-179.569.3-90.4000112.9I26 L28 A48 D49 M104 E108I26-Y106 HydrophobicContact CD1-CD1 4.47Å; I26-Y106 HydrophobicContact CG2-CD1 3.63Å; I26-Y106 HydrophobicContact CG2-CE1 4.46Å; I26-Y106 HydrophobicContact CG2-CG 3.75Å; L28-Y106 HydrophobicContact CD1-CD2 4.22Å; L28-Y106 HydrophobicContact CD1-CE2 4.18Å; L28-Y106 HydrophobicContact CD2-CD1 4.28Å; L28-Y106 HydrophobicContact CD2-CD2 3.7Å; L28-Y106 HydrophobicContact CD2-CE1 4.09Å; L28-Y106 HydrophobicContact CD2-CE2 3.48Å; L28-Y106 VanDerWaalsContact CD2-CE2 3.48Å; L28-Y106 HydrophobicContact CD2-CG 4.1Å; L28-Y106 HydrophobicContact CG-CE2 4.49Å; A48-Y106 HydrophobicContact CB-CD2 4.1Å; A48-Y106 HydrophobicContact CB-CG 4.34Å; D49-Y106 CarbonylContact O-C 3.02Å; D49-Y106 WeakPolarHBondContact O-CA 3.47Å; M104-Y106 WeakPolarHBondContact O-CD1 3.4Å; Y106-E108 HydrophobicContact CD2-CG 4.17Å; Y106-E108 HydrophobicContact CE2-CG 3.82Å
107S98.1Very high92Very high42 Ų4283.7 Ų83.729%0.29445%0.449SS..  trans-124.1132.9167.4-177.70000109.1D49 G52 V109D49-S107 PolarHBondContact O-N 2.87Å; G52-S107 CarbonylContact C-O 3.59Å; G52-S107 WeakPolarHBondContact CA-O 3.4Å; S107-V109 VanDerWaalsContact C-N 3.32Å; S107-V109 PolarHBondContact OG-N 3.24Å; S107-V109 PolarHBondContact OG-O 3.21Å
108E97.8Very high90.6Very high87 Ų8785.9 Ų85.941%0.40746%0.463SS..  trans-77.3-21.6173.9-60.5-159.3-146.400113.1L28 K46 S53 Y106L28-E108 HydrophobicContact CD1-CG 3.75Å; K46-E108 IonicContact NZ-OE2 2.69Å; K46-E108 PolarHBondContact NZ-OE2 3.16Å; S53-E108 WeakPolarHBondContact CB-O 3.27Å; S53-E108 PolarHBondContact OG-O 3.03Å; Y106-E108 HydrophobicContact CD2-CG 4.17Å; Y106-E108 HydrophobicContact CE2-CG 3.82Å
109V97.5Very high88.7Confident110 Ų11085.2 Ų85.267%0.66746%0.458SS*.  trans-117.9139.5-172.8178.50000110.2S107S107-V109 VanDerWaalsContact C-N 3.32Å; S107-V109 PolarHBondContact OG-N 3.24Å; S107-V109 PolarHBondContact OG-O 3.21Å
110P96.8Very high86.9Confident66 Ų6690.8 Ų90.843%0.42947%0.474SS..SBendcis-71.8154.1-6.232.3-36.3000112.1G52 S53 F112G52-P110 WeakPolarHBondContact CA-O 3.28Å; S53-P110 PolarHBondContact N-O 2.82Å; P110-F112 HydrophobicContact CG-CD2 4.47Å; P110-F112 HydrophobicContact CG-CE1 4.1Å; P110-F112 HydrophobicContact CG-CE2 3.69Å; P110-F112 HydrophobicContact CG-CZ 3.44Å; P110-F112 VanDerWaalsContact CG-CZ 3.44Å
111N97.1Very high84.9Confident42 Ų4292.2 Ų92.223%0.22549%0.488CS..BIsolated β-bridgetrans-90.6105.4170.4174.76.5000109.1S53 S113 E114S53-N111 CarbonylContact O-C 3.6Å; S53-N111 WeakPolarHBondContact OG-CA 3.35Å; S53-N111 WeakPolarHBondContact OG-CB 3.38Å; N111-S113 PolarHBondContact O-N 3.09Å; N111-S113 WeakPolarHBondContact OD1-CB 3.13Å; N111-S113 PolarHBondContact OD1-N 2.56Å; N111-E114 HydrophobicContact CB-CG 3.86Å; N111-E114 WeakPolarHBondContact O-CG 3.48Å; N111-E114 PolarHBondContact O-N 3.11Å
112F95.8Very high83Confident55 Ų5593.3 Ų93.324%0.24149%0.493CS..THydrogen-bonded Turntrans-70.4-12.2-176.8-68-82.4000113.5I11 R12 S53 I54 L86 P110I11-F112 HydrophobicContact CG2-CD2 3.53Å; I11-F112 HydrophobicContact CG2-CE2 3.99Å; I11-F112 HydrophobicContact CG2-CG 4.38Å; R12-F112 HydrophobicContact CB-CE1 4.35Å; R12-F112 HydrophobicContact CB-CE2 4.05Å; R12-F112 HydrophobicContact CB-CZ 3.58Å; R12-F112 HydrophobicContact CG-CE1 4.18Å; R12-F112 HydrophobicContact CG-CZ 3.67Å; S53-F112 WeakPolarHBondContact O-CD2 3.05Å; S53-F112 PolarHBondContact O-N 2.87Å; I54-F112 HydrophobicContact CG1-CB 4.49Å; L86-F112 WeakPolarHBondContact CB-O 3.49Å; L86-F112 HydrophobicContact CD2-CB 4.46Å; P110-F112 HydrophobicContact CG-CD2 4.47Å; P110-F112 HydrophobicContact CG-CE1 4.1Å; P110-F112 HydrophobicContact CG-CE2 3.69Å; P110-F112 HydrophobicContact CG-CZ 3.44Å; P110-F112 VanDerWaalsContact CG-CZ 3.44Å
113S95.2Very high81.3Confident5 Ų592.7 Ų92.74%0.03549%0.493CS..THydrogen-bonded Turntrans-93.11.9175.8-61.60000114I54 T55 C85 L86 N111I54-S113 WeakPolarHBondContact CG1-OG 3.1Å; T55-S113 VanDerWaalsContact CB-OG 3.32Å; T55-S113 WeakPolarHBondContact CB-OG 3.44Å; T55-S113 PolarHBondContact N-OG 2.82Å; T55-S113 VanDerWaalsContact OG1-CB 3.23Å; T55-S113 WeakPolarHBondContact OG1-CB 3.47Å; T55-S113 PolarHBondContact OG1-OG 2.92Å; C85-S113 VanDerWaalsContact CB-O 3.27Å; C85-S113 WeakPolarHBondContact CB-O 3.5Å; L86-S113 WeakPolarHBondContact O-CB 3.36Å; L86-S113 PolarHBondContact O-OG 3.47Å; N111-S113 PolarHBondContact O-N 3.09Å; N111-S113 WeakPolarHBondContact OD1-CB 3.13Å; N111-S113 PolarHBondContact OD1-N 2.56Å
114E90.8Very high79.2Confident129 Ų12994.8 Ų94.860%0.60350%0.496SS*.SBendtrans-55.6133.9175.2-77.1-175.8-177.700110.6N111 N116N111-E114 HydrophobicContact CB-CG 3.86Å; N111-E114 WeakPolarHBondContact O-CG 3.48Å; N111-E114 PolarHBondContact O-N 3.11Å; E114-N116 PolarHBondContact O-N 3.41Å
115P79.9Confident76.9Confident92 Ų92102.2 Ų102.260%0.59753%0.527SS*.  trans-60.6106.4179.6-17.627.1000109.9G84 P117G84-P115 WeakPolarHBondContact O-CA 3.36Å; P115-P117 WeakPolarHBondContact O-CD 3.48Å
116N65.9Low74.1Confident51 Ų51100 Ų10027%0.27353%0.53SS..  trans-84.3122.2173.9174.5-5.3000109G84 E114 D118 Y119G84-N116 PolarHBondContact O-N 2.84Å; E114-N116 PolarHBondContact O-N 3.41Å; N116-D118 PolarHBondContact O-N 3.21Å; N116-D118 WeakPolarHBondContact OD1-CB 3.46Å; N116-D118 PolarHBondContact OD1-N 3.28Å; N116-D118 PolarHBondContact OD1-OD2 3.49Å; N116-Y119 HydrophobicContact CB-CD2 3.57Å; N116-Y119 HydrophobicContact CB-CE2 3.68Å; N116-Y119 WeakPolarHBondContact ND2-CE2 3.34Å; N116-Y119 PolarHBondContact O-N 2.91Å
117P66.3Low71.6Confident96 Ų9699.6 Ų99.662%0.62355%0.548SS*.G310 helixtrans-57.1-28.5179.120.7-31.1000113.7P115 Y119 R120P115-P117 WeakPolarHBondContact O-CD 3.48Å; P117-Y119 VanDerWaalsContact C-N 3.3Å; P117-Y119 PolarHBondContact O-N 3.26Å; P117-R120 PolarHBondContact O-N 3.41Å
118D66.6Low68.7Low126 Ų126107.4 Ų107.467%0.67458%0.58SS**G310 helixtrans-65.7-30-178.4-61.8-32.3000112.9N116 R120N116-D118 PolarHBondContact O-N 3.21Å; N116-D118 WeakPolarHBondContact OD1-CB 3.46Å; N116-D118 PolarHBondContact OD1-N 3.28Å; N116-D118 PolarHBondContact OD1-OD2 3.49Å; D118-R120 VanDerWaalsContact C-N 3.35Å; D118-R120 PolarHBondContact O-N 3.29Å
119Y58Low65.8Low94 Ų94108.3 Ų108.337%0.36960%0.596SS.*G310 helixtrans-80-13.7-179.5-61.3-60.5000113.8M81 N116 P117 G121 Q122M81-Y119 HydrophobicContact CE-CD2 3.56Å; M81-Y119 HydrophobicContact CE-CE2 4.26Å; M81-Y119 HydrophobicContact CE-CG 3.87Å; M81-Y119 HydrophobicContact SD-CD2 4.44Å; N116-Y119 HydrophobicContact CB-CD2 3.57Å; N116-Y119 HydrophobicContact CB-CE2 3.68Å; N116-Y119 WeakPolarHBondContact ND2-CE2 3.34Å; N116-Y119 PolarHBondContact O-N 2.91Å; P117-Y119 VanDerWaalsContact C-N 3.3Å; P117-Y119 PolarHBondContact O-N 3.26Å; Y119-G121 PolarHBondContact O-N 3.2Å; Y119-Q122 PolarHBondContact O-N 3.43Å
120R58.4Low63.2Low205 Ų205111.8 Ų111.877%0.77461%0.605SS**G310 helixtrans-65-25.9176.3-61.3-173.685150.32.2111.7P117 D118P117-R120 PolarHBondContact O-N 3.41Å; D118-R120 VanDerWaalsContact C-N 3.35Å; D118-R120 PolarHBondContact O-N 3.29Å
121G55.7Low60.5Low55 Ų55118 Ų11857%0.56763%0.628SS**G310 helixtrans-80.1-16.9-178.700000115.8Y119Y119-G121 PolarHBondContact O-N 3.2Å
122Q54.6Low57.9Low145 Ų145126 Ų12668%0.67866%0.661SS**THydrogen-bonded Turntrans-89.7-18.2-176-79.2-178.2-14.700114.1Y119 N124 K125Y119-Q122 PolarHBondContact O-N 3.43Å; Q122-N124 PolarHBondContact O-N 3.16Å; Q122-N124 VanDerWaalsContact O-N 3.16Å; Q122-K125 PolarHBondContact O-N 3.32Å
123Q50.9Low54.9Low164 Ų164130.9 Ų130.977%0.76669%0.689SS**THydrogen-bonded Turntrans-70.1-10.8-179.6-164.3159.95.300113.4
124N47.4Very low52.3Low157 Ų157138 Ų13884%0.8473%0.728SS**THydrogen-bonded Turntrans-102.45-179.7-978.5000115.5Q122Q122-N124 PolarHBondContact O-N 3.16Å; Q122-N124 VanDerWaalsContact O-N 3.16Å
125K47.5Very low49.8Very low197 Ų197137.2 Ų137.286%0.85774%0.736SS**  trans-117.579.1177.1-70.6-170.1177.9-175.90111.2Q122Q122-K125 PolarHBondContact O-N 3.32Å
126G38.6Very low47.7Very low77 Ų77141.2 Ų141.279%0.79475%0.749SS**  trans-15943.9178.800000114.1
127A45Very low46.4Very low97 Ų97145.9 Ų145.980%0.80277%0.774SS**SBendtrans-172.776.7158.200000110.7
128Q36.4Very low45Very low205 Ų205148.1 Ų148.196%0.95878%0.781SS**  trans-161.582.7154.3-1171752.300108.7
129S38.4Very low43.7Very low106 Ų106149.4 Ų149.474%0.74179%0.787SS**  trans-90.8126.4158.148.60000108.4
130E41.7Very low42.7Very low184 Ų184153.1 Ų153.186%0.8681%0.81SS**  trans70.195.4151.7-62.7178.6133.500118.9
131Q41.3Very low41.6Very low196 Ų196147 Ų14792%0.91681%0.811SS**  -143.4101.8126.5-120.7167.3-800110.4N133Q131-N133 PolarHBondContact O-N 2.88Å
132K41.2Very low40.5Very low209 Ų209151.3 Ų151.391%0.90983%0.826SS**  trans-55.6122.8153.5-91.4175.4171.2175.20107.5
133N33.8Very low39.6Very low158 Ų158147.8 Ų147.885%0.84583%0.829SS**  trans-143.3128.2139.9-156.8-1000109.6Q131Q131-N133 PolarHBondContact O-N 2.88Å
134N39Very low38.8Very low156 Ų156145.2 Ų145.283%0.83483%0.825SS**  trans-95.5121.8-179-158.519.8000106.2
135S39.7Very low38.1Very low112 Ų112147.6 Ų147.678%0.78383%0.828SS**  trans-151.2117.1159.8-176.40000109.7
136M36.1Very low37.7Very low176 Ų176141.6 Ų141.687%0.86782%0.822SS**  trans-53.5148162.9-64.3177.4168.600110.9
137N37.5Very low38.5Very low148 Ų148143.9 Ų143.979%0.79182%0.823SS**  -171.5148.1110.3-159.35.9000111.2
138N38.1Very low38Very low144 Ų144145.9 Ų145.977%0.7783%0.825SS**  trans-64.7157.6-172.5-57.8-62.4000114.6
139N39.3Very low37.9Very low153 Ų153140 Ų14082%0.81882%0.82SS**  -173.8149.8102.8-16016.6000112.9
140M35.5Very low37.9Very low172 Ų172142.8 Ų142.885%0.84783%0.826SS**  trans-57157.2-177.1-153.7113.777.700116
141G35.4Very low37.6Very low77 Ų77137.6 Ų137.679%0.79482%0.822SS**  trans169.980.8162.400000116.4
142T34Very low37.1Very low144 Ų144133.8 Ų133.888%0.88381%0.812SS**  trans-61.7150.4169.339.40000115.2
143G33.8Very low36.8Very low72 Ų72134 Ų13474%0.74281%0.808SS**  trans150.780.7153.700000119.3
144T35Very low36.9Very low109 Ų109132.7 Ų132.767%0.66981%0.806SS**  trans19.6148.4132.1-240000125.2
145F33Very low36.6Very low207 Ų207128.7 Ų128.791%0.90880%0.802SS**  trans82135.6159.5-49.1-73.9000117.2
146G38.1Very low37.2Very low71 Ų71129.2 Ų129.273%0.73280%0.803SS**  cis167.8164.3600000107.5
147P56.2Low37Very low125 Ų125129.3 Ų129.381%0.81280%0.801SS**  trans-106.4178.8-170.434.5-22.4000115
148V35.5Very low37.1Very low140 Ų140126.8 Ų126.885%0.84880%0.795SS**  trans101.2123.9158.6-166.10000117
149G33.4Very low37.2Very low82 Ų82132 Ų13285%0.84580%0.803SS**  trans-159.692.9163.700000110.6
150N39.1Very low36.8Very low164 Ų164127.7 Ų127.788%0.87780%0.795SS**  trans-98.8134.1170.7-145.320.6000107.3
151G34.6Very low36.9Very low74 Ų74128.4 Ų128.476%0.76380%0.797SS**  trans-162.993-177.600000113
152V31.2Very low36.8Very low117 Ų117133 Ų13371%0.70980%0.797SS**  trans-70.2143.2162.8170.20000109.1
153Y34.8Very low36.8Very low212 Ų212136.1 Ų136.183%0.83180%0.799SS**  trans-169.5124.1138-74.1-57000112.5
154T34.8Very low36.9Very low132 Ų132137.3 Ų137.381%0.8180%0.796SS**  trans50.6118.5136.164.70000119.8
155G32.6Very low36.9Very low71 Ų71140.8 Ų140.873%0.73280%0.804SS**  137.5168.173.100000110.2
156P53.5Low37Very low124 Ų124135.8 Ų135.881%0.80580%0.801SS**  trans-108.8163.1-138.538.7-32.1000115.7
157E31.5Very low36.7Very low177 Ų177135.8 Ų135.883%0.82780%0.801SS**  trans173.3124.1131.7-95.3-161128.400114.6
158S40.2Very low35.9Very low95 Ų95142.2 Ų142.266%0.66481%0.809SS**  50.4115.8121.7-43.10000123
159R39.9Very low35.9Very low253 Ų253140.3 Ų140.396%0.95580%0.802SS**  trans144.4125.8141.5-84169.4170170.8-0.9108.4
160G29.9Very low36Very low63 Ų63143.9 Ų143.965%0.64980%0.802SS**  cis123.2125.329.800000108
161H37.9Very low35.7Very low188 Ų188139.4 Ų139.487%0.8779%0.794SS**  trans103.6110.8163.4-54.6-58.1000120.7
162Q34.4Very low35.9Very low174 Ų174148.2 Ų148.281%0.81381%0.805SS**  trans-58.9152.7153.3-65.8162.6-66.200111.5
163F34.1Very low36.1Very low208 Ų208146.1 Ų146.191%0.91281%0.807SS**  -156.1127.9129.2-83.9-67.8000110.5
164S35.6Very low36.7Very low98 Ų98142.1 Ų142.169%0.68581%0.807SS**  trans-80159.5164.4-48.60000110.4
165H35.4Very low36.7Very low182 Ų182144 Ų14484%0.84381%0.81SS**  trans-177.1118.1132.7-9320.3000109.1
166A34.5Very low37Very low101 Ų101147.5 Ų147.584%0.83581%0.812SS**  69.6122.7108.100000113.1
167G30.8Very low36.8Very low72 Ų72146.7 Ų146.774%0.74281%0.807SS**  cis122.412731.300000107.3
168R39.3Very low36.8Very low260 Ų260146.1 Ų146.198%0.98180%0.804SS**  trans-169.4142.9152.4-109.2169.5-176.8-163.90.2112.4
169S36.6Very low36.5Very low99 Ų99149 Ų14969%0.69281%0.811SS**  trans-107.1176.3-161.654.50000113.4
170N35.3Very low36.1Very low157 Ų157146.5 Ų146.584%0.8481%0.81SS**  trans117.3117.5159.2-63.57.4000110.9
171G33.8Very low36.1Very low70 Ų70146.6 Ų146.672%0.72281%0.811SS**  cis109.297.816.200000110.8
172R38.1Very low36.1Very low260 Ų260145 Ų14598%0.98182%0.815SS**  trans167.9135.1139.9-93.8171.5-177.8-170.81.2112.3
173G34.9Very low36.2Very low73 Ų73141.5 Ų141.575%0.75382%0.816SS**  trans-91-155.7-175.100000115.8
174P48.3Very low36.3Very low128 Ų128137.3 Ų137.383%0.83181%0.812SS**  trans-106.4162.2-138.139.8-35.1000115.2
175I33.9Very low36.4Very low170 Ų170140.1 Ų140.187%0.87282%0.82SS**  trans-144.1126162.4-60.7179.8000110.3
176N38.5Very low36.4Very low146 Ų146140.4 Ų140.478%0.78182%0.822SS**  trans-115.3150.5159-168.829000106.6
177P49.3Very low36.5Very low107 Ų107142 Ų14270%0.69582%0.821SS**  -148.6133.9110.329-8.7000116.8
178Q31.6Very low37Very low164 Ų164144 Ų14477%0.76682%0.819SS**  61112.6122.5-152.6163.6-1100124.2
179L35.2Very low37Very low157 Ų157140.3 Ų140.382%0.82282%0.815SS**  trans23.6138133.7-69.8162.1000124.9
180Q30.9Very low37.1Very low199 Ų199140.7 Ų140.793%0.9381%0.813SS**  -178.5138.3126.3-96.8168.811.900106.5
181G29.7Very low37.6Very low65 Ų65140 Ų14067%0.6782%0.815SS**  cis124109.216.500000108.5
182T37.6Very low38.1Very low155 Ų155143.6 Ų143.695%0.95182%0.816SS**  trans176.8130.4141.643.50000112.5
183A36Very low38.8Very low100 Ų100135.7 Ų135.783%0.82680%0.8SS**  trans-83.5156.1172.900000112.2
184S37.8Very low39.2Very low120 Ų120140.1 Ų140.184%0.83981%0.807SS**  trans-149.1120.3146.252.70000110.6
185N36.2Very low38.7Very low158 Ų158137.2 Ų137.285%0.84580%0.8SS**  trans-71.6136.7168-83.5-31000109.3
186Q35.6Very low39.3Very low188 Ų188141 Ų14188%0.87980%0.804SS**  trans-150.3119.7146.9-109.7172.329.900110.8
187T37.3Very low39.9Very low133 Ų133140.1 Ų140.182%0.81680%0.798SS**  trans-79123.2174.7-41.30000108.7
188V41.7Very low40.1Very low116 Ų116140.4 Ų140.470%0.70380%0.801SS**  trans-131.9113.2165.8-1710000108.1T190V188-T190 HydrophobicContact CG1-CG2 4.48Å
189M39.4Very low41.2Very low181 Ų181142.3 Ų142.389%0.89280%0.801SS**  trans-71.3127.6168.1-70.9-162.9-176.900109.1
190T38.9Very low42.1Very low107 Ų107144.2 Ų144.266%0.65680%0.797SS**  trans-136.1103.3165.336.70000110.3V188V188-T190 HydrophobicContact CG1-CG2 4.48Å
191T43.9Very low42.8Very low143 Ų143138.2 Ų138.288%0.87778%0.781SS**  trans-73.2117.1159.1-59.10000107.6
192I44.6Very low43.4Very low146 Ų146144.4 Ų144.475%0.74979%0.79SS**  trans-126.3102.6173.5-52.8-179.3000108.9
193S54.4Low43.6Very low94 Ų94147.3 Ų147.366%0.65779%0.79SS**  trans-87133.4162.455.20000109.5
194N41.4Very low44Very low165 Ų165157.6 Ų157.688%0.88281%0.807SS**  trans172.4136148.5-85.8-17.7000105.8
195G39.6Very low44.3Very low67 Ų67159.5 Ų159.569%0.69181%0.806SS**  cis128.6108.835.900000106.4
196R45.6Very low44.7Very low251 Ų251159.6 Ų159.695%0.94780%0.803SS**  trans53106.3165.1-65.7178.6-177.7170.61.2118.6
197D51.9Low45.2Very low126 Ų126158 Ų15867%0.67480%0.799SS**  trans-87.9120.9156.7-174.2-11.2000110.3R199D197-R199 PolarHBondContact OD1-N 3.38Å; D197-R199 IonicContact OD1-NE 3.61Å
198P52.3Low45.7Very low114 Ų114159.5 Ų159.574%0.7480%0.798SS**  trans-85.64.5-174.632.5-32.9000115.7R200P198-R200 PolarHBondContact O-N 3.34Å
199R55.8Low45.9Very low203 Ų203162.2 Ų162.277%0.76680%0.804SS**  trans-96.747.8-161.6-69.8-176.4-78.6172.5-9.7117.6D197D197-R199 PolarHBondContact OD1-N 3.38Å; D197-R199 IonicContact OD1-NE 3.61Å
200R52.6Low46.4Very low198 Ų198160.9 Ų160.975%0.74780%0.798SS**  trans-13865.9160-146.7-178.9-169.9-1469.5113.4R92 P198R92-R200 VanDerWaalsContact NH2-CB 3.27Å; P198-R200 PolarHBondContact O-N 3.34Å
201A47.2Very low46.9Very low73 Ų73164.8 Ų164.860%0.60381%0.809SS**  trans-128.8141.3150.700000107.7
202F42.3Very low47.1Very low195 Ų195166.5 Ų166.586%0.85580%0.803SS**  trans83.386.1174.5-49.4-72.2000117.6
203K41.9Very low47.3Very low215 Ų215168.2 Ų168.294%0.93581%0.808SS**  -130.4111.8117.5-79.5-168.5173.5-1750108.2
204R42.8Very low46.7Very low317 Ų317174.9 Ų174.9100%1.19682%0.822SS**  trans-71.30153.5-101.2-178.7164.6-173.2-4.6108

Retrieved 204 of 204 residues in 48.1 ms (Link to these results)

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