A0A077ZNB7_TRITR Loading...

SH3 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZNB7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 124 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
1M47.7Very low82.3Confident228 Ų22887.3 Ų87.3100%1.12345%0.447SS*.  0107.90-61.6-65.6-169.200107.3Q3M1-Q3 PolarHBondContact O-N 3.35Å
2S62.8Low82.8Confident121 Ų12183.7 Ų83.785%0.84642%0.424SS*.  trans-62.6116.3173.8-53.30000107.8T4S2-T4 PolarHBondContact O-N 3.45Å
3Q74.2Confident83.1Confident118 Ų11885.3 Ų85.355%0.55143%0.434SS*.  trans-77.8105.8-179.5-71.9171.2-3.400108.4M1 I5M1-Q3 PolarHBondContact O-N 3.35Å; Q3-I5 PolarHBondContact O-N 3.48Å
4T87.1Confident83.2Confident55 Ų5582.1 Ų82.134%0.33742%0.423SS..  trans-72.9125.4174.1-56.80000109.3S2 V6 L32 V62S2-T4 PolarHBondContact O-N 3.45Å; T4-V6 HydrophobicContact CG2-CG1 4.49Å; T4-L32 HydrophobicContact CG2-CB 4.3Å; T4-L32 HydrophobicContact CG2-CD2 3.89Å; T4-L32 WeakPolarHBondContact O-CB 3.31Å; T4-L32 PolarHBondContact O-N 2.86Å; T4-V62 HydrophobicContact CG2-CG1 3.6Å
5I88.6Confident83.1Confident45 Ų4583.2 Ų83.223%0.23144%0.436CS..EExtended strand (participates in β ladder)trans-99.7135.4174.7-55-57.8000108.3Q3 K29 F30 R31 L63Q3-I5 PolarHBondContact O-N 3.48Å; I5-K29 HydrophobicContact CG2-CB 3.98Å; I5-K29 HydrophobicContact CG2-CD 4.44Å; I5-K29 HydrophobicContact CG2-CG 4.45Å; I5-F30 WeakPolarHBondContact CA-O 3.48Å; I5-R31 HydrophobicContact CD1-CG 3.79Å; I5-L63 HydrophobicContact CB-CB 4.42Å; I5-L63 HydrophobicContact CG2-CD1 4.11Å; I5-L63 PolarHBondContact O-N 3.35Å
6V90.6Very high82.6Confident0 Ų080.8 Ų80.80%043%0.425CS..EExtended strand (participates in β ladder)trans-120.1147.2175.8-630000109.8T4 K29 F30 L32 W41 V43 L60 K61 V62T4-V6 HydrophobicContact CG2-CG1 4.49Å; V6-K29 CarbonylContact O-C 3.47Å; V6-K29 VanDerWaalsContact O-CA 3.29Å; V6-K29 WeakPolarHBondContact O-CA 3.26Å; V6-F30 HydrophobicContact CG2-CB 4.03Å; V6-F30 WeakPolarHBondContact CG2-O 3.4Å; V6-F30 PolarHBondContact N-O 2.8Å; V6-F30 PolarHBondContact O-N 3.46Å; V6-L32 HydrophobicContact CG1-CB 4.19Å; V6-W41 HydrophobicContact CG1-CE3 4.13Å; V6-W41 HydrophobicContact CG1-CZ3 3.98Å; V6-V43 HydrophobicContact CG2-CG1 3.78Å; V6-L60 HydrophobicContact CB-CB 4.37Å; V6-L60 HydrophobicContact CB-CD2 4.31Å; V6-L60 HydrophobicContact CG2-CD1 4.2Å; V6-L60 HydrophobicContact CG2-CD2 3.99Å; V6-K61 CarbonylContact C-O 3.57Å; V6-K61 VanDerWaalsContact CA-O 3.31Å; V6-K61 WeakPolarHBondContact CA-O 3.49Å; V6-V62 HydrophobicContact CG1-CG2 4.14Å
7K91.3Very high82.1Confident82 Ų8288.5 Ų88.536%0.35746%0.459SS..EExtended strand (participates in β ladder)trans-113.1132.1178.5-174.4-177.6177.6-175.50109.8L9 G27 E28 L60 K61 L63K7-L9 PolarHBondContact O-N 3.17Å; K7-G27 VanDerWaalsContact CE-CA 3.44Å; K7-E28 CarbonylContact C-O 3.48Å; K7-E28 VanDerWaalsContact CA-O 3.26Å; K7-E28 WeakPolarHBondContact CA-O 3.33Å; K7-L60 CarbonylContact O-C 3.59Å; K7-L60 WeakPolarHBondContact O-CA 3.09Å; K7-K61 PolarHBondContact N-O 3.2Å; K7-K61 PolarHBondContact O-N 3.38Å; K7-L63 HydrophobicContact CB-CD1 4.04Å; K7-L63 HydrophobicContact CB-CD2 4.06Å; K7-L63 HydrophobicContact CB-CG 3.99Å; K7-L63 HydrophobicContact CD-CD2 4.42Å
8A91.7Very high81.9Confident2 Ų297.2 Ų97.22%0.01749%0.485CS..EExtended strand (participates in β ladder)trans-70.1128.1170.800000110.5V24 G27 E28 F30 Y59A8-V24 HydrophobicContact CB-CG1 3.48Å; A8-V24 VanDerWaalsContact CB-CG1 3.48Å; A8-G27 PolarHBondContact O-N 2.8Å; A8-E28 PolarHBondContact N-O 3.31Å; A8-F30 HydrophobicContact CB-CE2 4.09Å; A8-Y59 CarbonylContact C-O 3.49Å; A8-Y59 WeakPolarHBondContact CA-O 3.37Å
9L91.1Very high81.7Confident77 Ų7795.1 Ų95.140%0.40349%0.49SS..SBendtrans-83.6-29.1176.7-67.1177.2000112.2K7 Y59 K61K7-L9 PolarHBondContact O-N 3.17Å; L9-Y59 PolarHBondContact N-O 3.31Å; L9-K61 HydrophobicContact CD1-CB 4.43Å; L9-K61 HydrophobicContact CD2-CB 3.88Å; L9-K61 HydrophobicContact CG-CB 4.18Å
10Y90.6Very high81.6Confident136 Ų13696.6 Ų96.653%0.53349%0.494SS..SBendtrans-133.7161.5-175.9-52.9-78.3000110.4Y59Y10-Y59 AromaticContact CD2-CD1 3.98Å; Y10-Y59 HydrophobicContact CD2-CD1 3.98Å; Y10-Y59 HydrophobicContact CD2-CE1 4.24Å; Y10-Y59 HydrophobicContact CD2-CG 4.17Å; Y10-Y59 HydrophobicContact CG-CD1 4.33Å; Y10-Y59 HydrophobicContact CG-CE1 4.37Å
11N90.2Very high81.6Confident96 Ų9693.5 Ų93.551%0.51349%0.487SS..  trans-68.7138.5168.9-60-11.8000109V24 A26N11-V24 CarbonylContact C-O 3.59Å; N11-V24 WeakPolarHBondContact CA-O 3.2Å; N11-A26 WeakPolarHBondContact OD1-CB 3.44Å; N11-A26 PolarHBondContact OD1-N 3.4Å
12Y87.4Confident83.3Confident44 Ų4483.3 Ų83.317%0.17344%0.437CS..EExtended strand (participates in β ladder)trans-138116.2177.9-178.6-94.4000109.7S14 V24 L55 P56 Y59Y12-S14 PolarHBondContact OH-OG 3Å; Y12-V24 PolarHBondContact N-O 2.83Å; Y12-V24 WeakPolarHBondContact O-CB 3.44Å; Y12-V24 PolarHBondContact O-N 2.81Å; Y12-L55 HydrophobicContact CD1-CD2 3.28Å; Y12-L55 HydrophobicContact CE1-CD2 3.64Å; Y12-L55 HydrophobicContact CG-CD2 3.83Å; Y12-P56 HydrophobicContact CE2-CG 4.37Å; Y12-Y59 HydrophobicContact CD2-CD1 4.34Å; Y12-Y59 HydrophobicContact CD2-CE1 4.27Å
13D87.4Confident84.6Confident105 Ų10583.8 Ų83.856%0.56143%0.425SS*.EExtended strand (participates in β ladder)trans-112.6122.1177.1-60.8-80.1000108I22 H23D13-I22 CarbonylContact C-O 3.57Å; D13-I22 WeakPolarHBondContact CA-O 3.48Å; D13-H23 IonicContact OD1-CE1 3.55Å; D13-H23 IonicContact OD1-CG 3.63Å; D13-H23 IonicContact OD1-ND1 2.68Å; D13-H23 PolarHBondContact OD1-ND1 2.89Å
14S83.8Confident85.2Confident40 Ų4078.3 Ų78.328%0.2840%0.4SS..EExtended strand (participates in β ladder)trans-146.6161.8179-171.30000110.4Y12 G21 I22Y12-S14 PolarHBondContact OH-OG 3Å; S14-G21 CarbonylContact O-C 3.52Å; S14-I22 PolarHBondContact N-O 3.45Å; S14-I22 PolarHBondContact O-N 3.3Å
15T82.4Confident85.3Confident99 Ų9980.5 Ų80.561%0.60741%0.409SS*.EExtended strand (participates in β ladder)trans-119.3123175.4-50.80000107.5H20T15-H20 WeakPolarHBondContact CA-O 3.46Å
16T74.4Confident85.4Confident44 Ų4480.8 Ų80.827%0.2742%0.418SS..  trans-62.2159.5172.761.30000110.2R18 G19 H20 I22T16-R18 PolarHBondContact O-N 2.83Å; T16-G19 PolarHBondContact O-N 2.78Å; T16-H20 HydrophobicContact CG2-CB 4.24Å; T16-H20 PolarHBondContact N-O 2.68Å; T16-H20 WeakPolarHBondContact OG1-CA 3.33Å; T16-H20 WeakPolarHBondContact OG1-CB 3.34Å; T16-H20 PolarHBondContact OG1-N 2.91Å; T16-H20 PolarHBondContact OG1-O 2.86Å; T16-I22 HydrophobicContact CG2-CD1 3.4Å; T16-I22 HydrophobicContact CG2-CG1 3.86Å
17E75.4Confident85.4Confident213 Ų21382.5 Ų82.5100%0.99544%0.435SS*.THydrogen-bonded Turntrans-56.9-21.9173.4-64.7-177.484.900113.1G19E17-G19 VanDerWaalsContact C-N 3.26Å; E17-G19 PolarHBondContact O-N 2.64Å
18R77.1Confident85.3Confident245 Ų24580.5 Ų80.593%0.92543%0.427SS*.THydrogen-bonded Turntrans-82.82.9175.2-63.3-174.1179.2-177.20.8113.8T16 H20T16-R18 PolarHBondContact O-N 2.83Å; R18-H20 VanDerWaalsContact C-N 3.29Å; R18-H20 PolarHBondContact O-N 2.96Å
19G78.8Confident85.2Confident57 Ų5786.9 Ų86.959%0.58846%0.455SS*.SBendtrans78.18.9-176.600000114.4T16 E17 G21T16-G19 PolarHBondContact O-N 2.78Å; E17-G19 VanDerWaalsContact C-N 3.26Å; E17-G19 PolarHBondContact O-N 2.64Å; G19-G21 PolarHBondContact O-N 3Å
20H78.9Confident85.1Confident124 Ų12483.4 Ų83.457%0.57444%0.437SS*.  trans-77.8120.3174.7-164.682.4000110T15 T16 R18 I22T15-H20 WeakPolarHBondContact CA-O 3.46Å; T16-H20 HydrophobicContact CG2-CB 4.24Å; T16-H20 PolarHBondContact N-O 2.68Å; T16-H20 WeakPolarHBondContact OG1-CA 3.33Å; T16-H20 WeakPolarHBondContact OG1-CB 3.34Å; T16-H20 PolarHBondContact OG1-N 2.91Å; T16-H20 PolarHBondContact OG1-O 2.86Å; R18-H20 VanDerWaalsContact C-N 3.29Å; R18-H20 PolarHBondContact O-N 2.96Å; H20-I22 PolarHBondContact O-N 3.25Å
21G82.6Confident85Confident33 Ų3380.9 Ų80.934%0.3443%0.426SS..EExtended strand (participates in β ladder)trans-72.7114.6173.800000110.9S14 G19S14-G21 CarbonylContact O-C 3.52Å; G19-G21 PolarHBondContact O-N 3Å
22I84Confident85Confident13 Ų1377.9 Ų77.97%0.06741%0.41CS..EExtended strand (participates in β ladder)trans-88.1117.5169.5-63159.8000107D13 S14 T16 H20 V24 F53D13-I22 CarbonylContact C-O 3.57Å; D13-I22 WeakPolarHBondContact CA-O 3.48Å; S14-I22 PolarHBondContact N-O 3.45Å; S14-I22 PolarHBondContact O-N 3.3Å; T16-I22 HydrophobicContact CG2-CD1 3.4Å; T16-I22 HydrophobicContact CG2-CG1 3.86Å; H20-I22 PolarHBondContact O-N 3.25Å; I22-V24 HydrophobicContact CG2-CG2 3.82Å; I22-F53 HydrophobicContact CD1-CB 3.48Å; I22-F53 VanDerWaalsContact CD1-CB 3.48Å; I22-F53 HydrophobicContact CD1-CD2 4.18Å; I22-F53 HydrophobicContact CD1-CG 3.93Å; I22-F53 HydrophobicContact CG1-CB 4.05Å; I22-F53 HydrophobicContact CG1-CD1 4.49Å; I22-F53 HydrophobicContact CG1-CD2 4.44Å; I22-F53 HydrophobicContact CG1-CG 4.1Å; I22-F53 HydrophobicContact CG2-CD1 4.37Å; I22-F53 HydrophobicContact CG2-CD2 3.6Å; I22-F53 HydrophobicContact CG2-CE1 4.4Å; I22-F53 HydrophobicContact CG2-CE2 3.62Å; I22-F53 HydrophobicContact CG2-CG 3.99Å; I22-F53 HydrophobicContact CG2-CZ 4.04Å
23H88.3Confident85.1Confident132 Ų13279.3 Ų79.361%0.61142%0.419SS*.EExtended strand (participates in β ladder)trans-119.1115.4172.6-64.2-83.2000108.1D13D13-H23 IonicContact OD1-CE1 3.55Å; D13-H23 IonicContact OD1-CG 3.63Å; D13-H23 IonicContact OD1-ND1 2.68Å; D13-H23 PolarHBondContact OD1-ND1 2.89Å
24V87.4Confident85Confident2 Ų275.3 Ų75.31%0.01240%0.4CS..EExtended strand (participates in β ladder)trans-119.1127179.7170.70000107.8A8 N11 Y12 I22 F30 F53 L55A8-V24 HydrophobicContact CB-CG1 3.48Å; A8-V24 VanDerWaalsContact CB-CG1 3.48Å; N11-V24 CarbonylContact C-O 3.59Å; N11-V24 WeakPolarHBondContact CA-O 3.2Å; Y12-V24 PolarHBondContact N-O 2.83Å; Y12-V24 WeakPolarHBondContact O-CB 3.44Å; Y12-V24 PolarHBondContact O-N 2.81Å; I22-V24 HydrophobicContact CG2-CG2 3.82Å; V24-F30 HydrophobicContact CB-CZ 4.29Å; V24-F30 HydrophobicContact CG1-CE2 3.67Å; V24-F30 HydrophobicContact CG1-CZ 3.77Å; V24-F30 HydrophobicContact CG2-CE1 4.5Å; V24-F30 HydrophobicContact CG2-CE2 4.4Å; V24-F30 HydrophobicContact CG2-CZ 3.86Å; V24-F53 HydrophobicContact CG2-CE2 3.5Å; V24-F53 VanDerWaalsContact CG2-CE2 3.5Å; V24-F53 HydrophobicContact CG2-CZ 3.62Å; V24-L55 HydrophobicContact CG1-CD1 4.31Å; V24-L55 HydrophobicContact CG2-CD1 4.21Å; V24-L55 HydrophobicContact CG2-CD2 4.23Å
25L89.5Confident85.1Confident102 Ų10278.3 Ų78.353%0.53441%0.413SS..  trans-98.5142.9175.4-59.8171.3000110.7G27 E28L25-G27 PolarHBondContact O-N 2.84Å; L25-E28 HydrophobicContact CB-CG 4.05Å; L25-E28 PolarHBondContact N-OE2 2.62Å; L25-E28 WeakPolarHBondContact O-CB 3.42Å; L25-E28 WeakPolarHBondContact O-CG 3.29Å; L25-E28 PolarHBondContact O-N 3.5Å
26A90.7Very high85.2Confident50 Ų5081.6 Ų81.641%0.41342%0.421SS..THydrogen-bonded Turntrans-54127.416900000109N11N11-A26 WeakPolarHBondContact OD1-CB 3.44Å; N11-A26 PolarHBondContact OD1-N 3.4Å
27G89.7Confident85.6Confident36 Ų3683.4 Ų83.437%0.37143%0.429SS..THydrogen-bonded Turntrans104.8-22.9-174.400000114.9K7 A8 L25K7-G27 VanDerWaalsContact CE-CA 3.44Å; A8-G27 PolarHBondContact O-N 2.8Å; L25-G27 PolarHBondContact O-N 2.84Å
28E89.8Confident86.1Confident40 Ų4081 Ų8119%0.18742%0.418CS..  trans-67.3146.6-178.8-73-164102.800112.2K7 A8 L25 F30 K45K7-E28 CarbonylContact C-O 3.48Å; K7-E28 VanDerWaalsContact CA-O 3.26Å; K7-E28 WeakPolarHBondContact CA-O 3.33Å; A8-E28 PolarHBondContact N-O 3.31Å; L25-E28 HydrophobicContact CB-CG 4.05Å; L25-E28 PolarHBondContact N-OE2 2.62Å; L25-E28 WeakPolarHBondContact O-CB 3.42Å; L25-E28 WeakPolarHBondContact O-CG 3.29Å; L25-E28 PolarHBondContact O-N 3.5Å; E28-F30 HydrophobicContact CB-CE2 3.59Å; E28-F30 HydrophobicContact CB-CZ 3.64Å; E28-K45 WeakPolarHBondContact OE1-CE 3.46Å; E28-K45 IonicContact OE1-NZ 3.31Å; E28-K45 PolarHBondContact OE1-NZ 2.88Å
29K89.9Confident86.7Confident137 Ų13775.9 Ų75.960%0.59640%0.404SS*.EExtended strand (participates in β ladder)trans-109.5132.4-179-62.4179.7-175.7179.50109.6I5 V6 L63I5-K29 HydrophobicContact CG2-CB 3.98Å; I5-K29 HydrophobicContact CG2-CD 4.44Å; I5-K29 HydrophobicContact CG2-CG 4.45Å; V6-K29 CarbonylContact O-C 3.47Å; V6-K29 VanDerWaalsContact O-CA 3.29Å; V6-K29 WeakPolarHBondContact O-CA 3.26Å; K29-L63 HydrophobicContact CD-CD1 3.88Å; K29-L63 HydrophobicContact CG-CD1 4.04Å
30F89.5Confident87.2Confident4 Ų478.4 Ų78.42%0.01840%0.396CS..EExtended strand (participates in β ladder)trans-125.8154.6177.8-54.3-86000110.3I5 V6 A8 V24 E28 V43 K45 F53 L55I5-F30 WeakPolarHBondContact CA-O 3.48Å; V6-F30 HydrophobicContact CG2-CB 4.03Å; V6-F30 WeakPolarHBondContact CG2-O 3.4Å; V6-F30 PolarHBondContact N-O 2.8Å; V6-F30 PolarHBondContact O-N 3.46Å; A8-F30 HydrophobicContact CB-CE2 4.09Å; V24-F30 HydrophobicContact CB-CZ 4.29Å; V24-F30 HydrophobicContact CG1-CE2 3.67Å; V24-F30 HydrophobicContact CG1-CZ 3.77Å; V24-F30 HydrophobicContact CG2-CE1 4.5Å; V24-F30 HydrophobicContact CG2-CE2 4.4Å; V24-F30 HydrophobicContact CG2-CZ 3.86Å; E28-F30 HydrophobicContact CB-CE2 3.59Å; E28-F30 HydrophobicContact CB-CZ 3.64Å; F30-V43 HydrophobicContact CB-CB 3.74Å; F30-V43 HydrophobicContact CB-CG1 4.43Å; F30-V43 HydrophobicContact CB-CG2 3.9Å; F30-V43 HydrophobicContact CD1-CG2 4.38Å; F30-V43 HydrophobicContact CG-CB 4.46Å; F30-V43 HydrophobicContact CG-CG2 4.07Å; F30-K45 HydrophobicContact CD1-CB 4.02Å; F30-K45 HydrophobicContact CD1-CG 4.45Å; F30-K45 HydrophobicContact CE1-CB 4.12Å; F30-K45 HydrophobicContact CE1-CD 4.45Å; F30-K45 HydrophobicContact CE1-CG 4.31Å; F30-F53 HydrophobicContact CD1-CE1 4.46Å; F30-F53 AromaticContact CD1-CZ 3.92Å; F30-F53 HydrophobicContact CD1-CZ 3.92Å; F30-F53 HydrophobicContact CE1-CE1 4.25Å; F30-F53 AromaticContact CE1-CZ 3.59Å; F30-F53 HydrophobicContact CE1-CZ 3.59Å; F30-F53 HydrophobicContact CZ-CZ 4.15Å; F30-L55 HydrophobicContact CD2-CD1 4.43Å; F30-L55 HydrophobicContact CE2-CD1 4.45Å
31R88.5Confident87.9Confident83 Ų8373.7 Ų73.731%0.31337%0.373SS..EExtended strand (participates in β ladder)trans-87124.5172.2-63.3-179.6176.5-8010.2108I5 I33 V43 S44I5-R31 HydrophobicContact CD1-CG 3.79Å; R31-I33 HydrophobicContact CB-CD1 4.26Å; R31-I33 PolarHBondContact O-N 3.43Å; R31-V43 CarbonylContact O-C 3.59Å; R31-V43 VanDerWaalsContact O-CA 3.24Å; R31-V43 WeakPolarHBondContact O-CA 3.41Å; R31-S44 PolarHBondContact N-O 3.44Å; R31-S44 PolarHBondContact O-N 3.41Å
32L89.5Confident88.2Confident32 Ų3274.6 Ų74.617%0.16837%0.367CS..EExtended strand (participates in β ladder)trans-71.5121.5171.3-177.165.1000108.5T4 V6 D35 W41 V43T4-L32 HydrophobicContact CG2-CB 4.3Å; T4-L32 HydrophobicContact CG2-CD2 3.89Å; T4-L32 WeakPolarHBondContact O-CB 3.31Å; T4-L32 PolarHBondContact O-N 2.86Å; V6-L32 HydrophobicContact CG1-CB 4.19Å; L32-D35 HydrophobicContact CD1-CB 4.39Å; L32-D35 HydrophobicContact CD2-CB 4.24Å; L32-W41 HydrophobicContact CD1-CB 3.61Å; L32-W41 HydrophobicContact CD1-CD2 3.96Å; L32-W41 HydrophobicContact CD1-CE3 4.08Å; L32-W41 HydrophobicContact CD1-CG 3.8Å; L32-V43 HydrophobicContact CD1-CG1 4.22Å
33I88.7Confident88.5Confident74 Ų7474 Ų7438%0.37936%0.364SS..EExtended strand (participates in β ladder)trans-103-43.8-178.9-54.6-59000110.2R31 Y42 A49R31-I33 HydrophobicContact CB-CD1 4.26Å; R31-I33 PolarHBondContact O-N 3.43Å; I33-Y42 HydrophobicContact CB-CD1 3.67Å; I33-Y42 HydrophobicContact CB-CE1 4.27Å; I33-Y42 WeakPolarHBondContact CB-O 3.18Å; I33-Y42 HydrophobicContact CG1-CD1 4.32Å; I33-Y42 HydrophobicContact CG2-CD1 3.72Å; I33-Y42 HydrophobicContact CG2-CE1 4.05Å; I33-Y42 PolarHBondContact N-O 3.37Å; I33-A49 HydrophobicContact CD1-CB 4.06Å; I33-A49 HydrophobicContact CG1-CB 4.15Å; I33-A49 HydrophobicContact CG2-CB 4.29Å
34S87.1Confident88.5Confident21 Ų2167.7 Ų67.715%0.14734%0.335CS..EExtended strand (participates in β ladder)trans-144.9136.1174.7172.80000110.8E36 Y42S34-E36 WeakPolarHBondContact OG-CG 3.37Å; S34-E36 PolarHBondContact OG-N 3.17Å; S34-E36 PolarHBondContact OG-OE2 2.84Å; S34-Y42 PolarHBondContact N-O 2.8Å; S34-Y42 PolarHBondContact O-N 2.76Å
35D86Confident88.3Confident103 Ų10373.4 Ų73.455%0.55136%0.359SS*.  trans-113.820.9173.963.5-48.3000112.6L32 N37 W41L32-D35 HydrophobicContact CD1-CB 4.39Å; L32-D35 HydrophobicContact CD2-CB 4.24Å; D35-N37 PolarHBondContact O-N 3.38Å; D35-N37 VanDerWaalsContact O-N 3.07Å; D35-W41 HydrophobicContact CB-CG 4.38Å
36E83.3Confident87.7Confident168 Ų16872.3 Ų72.379%0.78536%0.357SS*.  trans-56-26.9-177.2-74.8171.8109.200113.9S34S34-E36 WeakPolarHBondContact OG-CG 3.37Å; S34-E36 PolarHBondContact OG-N 3.17Å; S34-E36 PolarHBondContact OG-OE2 2.84Å
37N83.5Confident86.6Confident82 Ų8274.9 Ų74.944%0.43936%0.363SS..SBendtrans-99.4131.6176.8-66.682.3000111.4D35 H39 W40D35-N37 PolarHBondContact O-N 3.38Å; D35-N37 VanDerWaalsContact O-N 3.07Å; N37-H39 PolarHBondContact O-N 2.73Å; N37-W40 HydrophobicContact CB-CB 4.09Å; N37-W40 VanDerWaalsContact CB-O 3.22Å; N37-W40 WeakPolarHBondContact CB-O 3.28Å; N37-W40 PolarHBondContact O-N 2.82Å
38E84.6Confident85.6Confident163 Ų16377 Ų7776%0.76237%0.37SS*.SBendtrans-61.6-29-179.8-63.5-179.785.400113.4K57E38-K57 VanDerWaalsContact O-CD 3.3Å; E38-K57 WeakPolarHBondContact O-CD 3.3Å
39H89.5Confident84.5Confident138 Ų13876.6 Ų76.664%0.63937%0.374SS*.SBendtrans-104.7-21.3-177.3-63.9-62.8000113.9N37 P56 K57N37-H39 PolarHBondContact O-N 2.73Å; H39-P56 CarbonylContact O-C 3.55Å; H39-P56 VanDerWaalsContact O-CA 3.28Å; H39-P56 WeakPolarHBondContact O-CA 3.3Å; H39-K57 PolarHBondContact O-N 2.87Å
40W91Very high83.6Confident110 Ų11077.7 Ų77.742%0.41738%0.381SS..EExtended strand (participates in β ladder)trans-132.8130-170.7-65.991.1000110.4N37 Y54 L55 P56N37-W40 HydrophobicContact CB-CB 4.09Å; N37-W40 VanDerWaalsContact CB-O 3.22Å; N37-W40 WeakPolarHBondContact CB-O 3.28Å; N37-W40 PolarHBondContact O-N 2.82Å; W40-Y54 HydrophobicContact CB-CD1 4.33Å; W40-L55 CarbonylContact C-O 3.52Å; W40-L55 WeakPolarHBondContact CA-O 3.4Å; W40-P56 HydrophobicContact CE3-CB 4.33Å; W40-P56 HydrophobicContact CH2-CB 4.47Å; W40-P56 HydrophobicContact CZ3-CB 4.28Å; W40-P56 HydrophobicContact CZ3-CG 4.25Å
41W91.8Very high83Confident24 Ų2482.9 Ų82.99%0.09141%0.409CS..EExtended strand (participates in β ladder)trans-112.8134.2177.9-74.1-9.6000109.9V6 L32 D35 V43 Y54 L55 K57 L60 V62V6-W41 HydrophobicContact CG1-CE3 4.13Å; V6-W41 HydrophobicContact CG1-CZ3 3.98Å; L32-W41 HydrophobicContact CD1-CB 3.61Å; L32-W41 HydrophobicContact CD1-CD2 3.96Å; L32-W41 HydrophobicContact CD1-CE3 4.08Å; L32-W41 HydrophobicContact CD1-CG 3.8Å; D35-W41 HydrophobicContact CB-CG 4.38Å; W41-V43 HydrophobicContact CB-CG1 4.32Å; W41-V43 PolarHBondContact O-N 2.91Å; W41-Y54 WeakPolarHBondContact O-CA 3.41Å; W41-L55 PolarHBondContact N-O 2.84Å; W41-L55 PolarHBondContact O-N 2.95Å; W41-K57 HydrophobicContact CD2-CB 4.19Å; W41-K57 HydrophobicContact CD2-CG 4.09Å; W41-K57 HydrophobicContact CE3-CG 4.33Å; W41-K57 HydrophobicContact CG-CB 4.49Å; W41-K57 HydrophobicContact CH2-CD 4.22Å; W41-K57 HydrophobicContact CH2-CG 3.9Å; W41-K57 HydrophobicContact CZ2-CD 3.56Å; W41-K57 VanDerWaalsContact CZ2-CE 3.46Å; W41-K57 HydrophobicContact CZ2-CG 3.65Å; W41-K57 HydrophobicContact CZ3-CG 4.22Å; W41-L60 HydrophobicContact CB-CD1 3.96Å; W41-L60 HydrophobicContact CD2-CD1 4.42Å; W41-L60 HydrophobicContact CE3-CB 4.09Å; W41-L60 HydrophobicContact CE3-CD1 3.72Å; W41-L60 HydrophobicContact CZ3-CB 4.24Å; W41-V62 HydrophobicContact CH2-CG2 3.53Å; W41-V62 HydrophobicContact CZ3-CG2 3.57Å
42Y89.7Confident82.8Confident53 Ų5379.8 Ų79.821%0.20840%0.403CS..EExtended strand (participates in β ladder)trans-83.3114.7174.1-168.9-114.1000108.7I33 S34 A49 G52 Y54I33-Y42 HydrophobicContact CB-CD1 3.67Å; I33-Y42 HydrophobicContact CB-CE1 4.27Å; I33-Y42 WeakPolarHBondContact CB-O 3.18Å; I33-Y42 HydrophobicContact CG1-CD1 4.32Å; I33-Y42 HydrophobicContact CG2-CD1 3.72Å; I33-Y42 HydrophobicContact CG2-CE1 4.05Å; I33-Y42 PolarHBondContact N-O 3.37Å; S34-Y42 PolarHBondContact N-O 2.8Å; S34-Y42 PolarHBondContact O-N 2.76Å; Y42-A49 PolarHBondContact OH-O 3.14Å; Y42-G52 VanDerWaalsContact CE2-C 3.43Å; Y42-G52 VanDerWaalsContact OH-CA 3.3Å; Y42-G52 WeakPolarHBondContact OH-CA 3.24Å; Y42-Y54 HydrophobicContact CD2-CD1 4.15Å; Y42-Y54 AromaticContact CD2-CD2 3.97Å; Y42-Y54 HydrophobicContact CD2-CD2 3.97Å; Y42-Y54 AromaticContact CD2-CE1 3.95Å; Y42-Y54 HydrophobicContact CD2-CE1 3.95Å; Y42-Y54 AromaticContact CD2-CE2 3.74Å; Y42-Y54 HydrophobicContact CD2-CE2 3.74Å; Y42-Y54 HydrophobicContact CD2-CG 4.17Å; Y42-Y54 AromaticContact CD2-CZ 3.73Å; Y42-Y54 HydrophobicContact CE2-CD2 4.47Å; Y42-Y54 HydrophobicContact CE2-CE2 4.16Å; Y42-Y54 HydrophobicContact CG-CE1 4.28Å
43V89.7Confident82.7Confident0 Ų079.6 Ų79.60%040%0.401CS..EExtended strand (participates in β ladder)trans-124.1152.6-175.9-55.70000110.9V6 F30 R31 L32 W41 G52 F53 L55 L60V6-V43 HydrophobicContact CG2-CG1 3.78Å; F30-V43 HydrophobicContact CB-CB 3.74Å; F30-V43 HydrophobicContact CB-CG1 4.43Å; F30-V43 HydrophobicContact CB-CG2 3.9Å; F30-V43 HydrophobicContact CD1-CG2 4.38Å; F30-V43 HydrophobicContact CG-CB 4.46Å; F30-V43 HydrophobicContact CG-CG2 4.07Å; R31-V43 CarbonylContact O-C 3.59Å; R31-V43 VanDerWaalsContact O-CA 3.24Å; R31-V43 WeakPolarHBondContact O-CA 3.41Å; L32-V43 HydrophobicContact CD1-CG1 4.22Å; W41-V43 HydrophobicContact CB-CG1 4.32Å; W41-V43 PolarHBondContact O-N 2.91Å; V43-G52 CarbonylContact O-C 3.58Å; V43-G52 WeakPolarHBondContact O-CA 3.5Å; V43-F53 HydrophobicContact CG2-CD2 4.2Å; V43-F53 HydrophobicContact CG2-CE2 3.89Å; V43-F53 HydrophobicContact CG2-CZ 4.17Å; V43-F53 PolarHBondContact N-O 3.48Å; V43-F53 PolarHBondContact O-N 2.86Å; V43-L55 HydrophobicContact CG2-CB 4.39Å; V43-L55 HydrophobicContact CG2-CD1 3.81Å; V43-L55 HydrophobicContact CG2-CG 4.04Å; V43-L60 HydrophobicContact CG1-CD1 4Å
44S88.3Confident82.7Confident0 Ų082 Ų820%041%0.406CS..EExtended strand (participates in β ladder)trans-133.2142.5172.5-172.60000111.5R31 T46R31-S44 PolarHBondContact N-O 3.44Å; R31-S44 PolarHBondContact O-N 3.41Å; S44-T46 PolarHBondContact OG-N 3.13Å; S44-T46 PolarHBondContact OG-O 2.96Å
45K84.1Confident82.7Confident122 Ų12281 Ų8153%0.5340%0.399SS..SBendtrans-76.9-37175.1-166.2174.3-168.8164.90111.8E28 F30E28-K45 WeakPolarHBondContact OE1-CE 3.46Å; E28-K45 IonicContact OE1-NZ 3.31Å; E28-K45 PolarHBondContact OE1-NZ 2.88Å; F30-K45 HydrophobicContact CD1-CB 4.02Å; F30-K45 HydrophobicContact CD1-CG 4.45Å; F30-K45 HydrophobicContact CE1-CB 4.12Å; F30-K45 HydrophobicContact CE1-CD 4.45Å; F30-K45 HydrophobicContact CE1-CG 4.31Å
46T76.8Confident82.9Confident78 Ų7876.9 Ų76.948%0.47938%0.378SS..SBendtrans-128.9157.1-176.253.10000111.2S44 P48S44-T46 PolarHBondContact OG-N 3.13Å; S44-T46 PolarHBondContact OG-O 2.96Å; T46-P48 CarbonylContact O-C 3.52Å; T46-P48 VanDerWaalsContact O-O 3.14Å
47L68.4Low83.2Confident104 Ų10473.5 Ų73.555%0.54536%0.36SS..SBendtrans-97.4140.7164.9-68.7172.9000108.4
48P67.8Low83.6Confident81 Ų8174.1 Ų74.153%0.52637%0.371SS..SBendcis-72.3157.22.730.6-35.3000113.3T46 E50T46-P48 CarbonylContact O-C 3.52Å; T46-P48 VanDerWaalsContact O-O 3.14Å; P48-E50 HydrophobicContact CB-CG 4.24Å; P48-E50 HydrophobicContact CG-CG 4.19Å; P48-E50 WeakPolarHBondContact CG-OE2 3.09Å; P48-E50 PolarHBondContact O-N 2.83Å
49A67.2Low83.9Confident32 Ų3270.7 Ų70.726%0.26435%0.352SS..G310 helixtrans-70.120.5-176.300000114.6I33 Y42 N51 G52I33-A49 HydrophobicContact CD1-CB 4.06Å; I33-A49 HydrophobicContact CG1-CB 4.15Å; I33-A49 HydrophobicContact CG2-CB 4.29Å; Y42-A49 PolarHBondContact OH-O 3.14Å; A49-N51 PolarHBondContact O-N 3.46Å; A49-G52 PolarHBondContact O-N 2.9Å
50E71.3Confident83.9Confident159 Ų15964.8 Ų64.874%0.74333%0.325SS*.G310 helixtrans-67.1-27-179.8-67.8-176.388.700112.3P48P48-E50 HydrophobicContact CB-CG 4.24Å; P48-E50 HydrophobicContact CG-CG 4.19Å; P48-E50 WeakPolarHBondContact CG-OE2 3.09Å; P48-E50 PolarHBondContact O-N 2.83Å
51N75.3Confident83.9Confident114 Ų11463.7 Ų63.761%0.6132%0.323SS*.G310 helixtrans-10533.7176.3-64-26.3000112A49A49-N51 PolarHBondContact O-N 3.46Å
52G84.6Confident83.8Confident17 Ų1765 Ų6518%0.17533%0.333CS..  trans-74.6160171.500000111.8Y42 V43 A49Y42-G52 VanDerWaalsContact CE2-C 3.43Å; Y42-G52 VanDerWaalsContact OH-CA 3.3Å; Y42-G52 WeakPolarHBondContact OH-CA 3.24Å; V43-G52 CarbonylContact O-C 3.58Å; V43-G52 WeakPolarHBondContact O-CA 3.5Å; A49-G52 PolarHBondContact O-N 2.9Å
53F87.6Confident83.6Confident28 Ų2864.6 Ų64.612%0.12334%0.335CS..EExtended strand (participates in β ladder)trans-149.7160.4176.652.8-88.6000110.5I22 V24 F30 V43 L55I22-F53 HydrophobicContact CD1-CB 3.48Å; I22-F53 VanDerWaalsContact CD1-CB 3.48Å; I22-F53 HydrophobicContact CD1-CD2 4.18Å; I22-F53 HydrophobicContact CD1-CG 3.93Å; I22-F53 HydrophobicContact CG1-CB 4.05Å; I22-F53 HydrophobicContact CG1-CD1 4.49Å; I22-F53 HydrophobicContact CG1-CD2 4.44Å; I22-F53 HydrophobicContact CG1-CG 4.1Å; I22-F53 HydrophobicContact CG2-CD1 4.37Å; I22-F53 HydrophobicContact CG2-CD2 3.6Å; I22-F53 HydrophobicContact CG2-CE1 4.4Å; I22-F53 HydrophobicContact CG2-CE2 3.62Å; I22-F53 HydrophobicContact CG2-CG 3.99Å; I22-F53 HydrophobicContact CG2-CZ 4.04Å; V24-F53 HydrophobicContact CG2-CE2 3.5Å; V24-F53 VanDerWaalsContact CG2-CE2 3.5Å; V24-F53 HydrophobicContact CG2-CZ 3.62Å; F30-F53 HydrophobicContact CD1-CE1 4.46Å; F30-F53 AromaticContact CD1-CZ 3.92Å; F30-F53 HydrophobicContact CD1-CZ 3.92Å; F30-F53 HydrophobicContact CE1-CE1 4.25Å; F30-F53 AromaticContact CE1-CZ 3.59Å; F30-F53 HydrophobicContact CE1-CZ 3.59Å; F30-F53 HydrophobicContact CZ-CZ 4.15Å; V43-F53 HydrophobicContact CG2-CD2 4.2Å; V43-F53 HydrophobicContact CG2-CE2 3.89Å; V43-F53 HydrophobicContact CG2-CZ 4.17Å; V43-F53 PolarHBondContact N-O 3.48Å; V43-F53 PolarHBondContact O-N 2.86Å; F53-L55 HydrophobicContact CD2-CD1 4.43Å; F53-L55 HydrophobicContact CD2-CD2 4.08Å; F53-L55 HydrophobicContact CD2-CG 3.78Å; F53-L55 HydrophobicContact CE2-CD1 3.67Å; F53-L55 HydrophobicContact CE2-CD2 3.85Å; F53-L55 HydrophobicContact CE2-CG 3.51Å
54Y88.4Confident82.7Confident124 Ų12468.3 Ų68.349%0.48636%0.361SS..EExtended strand (participates in β ladder)trans-85.7129.6177.9-68.8-84.5000110.5W40 W41 Y42W40-Y54 HydrophobicContact CB-CD1 4.33Å; W41-Y54 WeakPolarHBondContact O-CA 3.41Å; Y42-Y54 HydrophobicContact CD2-CD1 4.15Å; Y42-Y54 AromaticContact CD2-CD2 3.97Å; Y42-Y54 HydrophobicContact CD2-CD2 3.97Å; Y42-Y54 AromaticContact CD2-CE1 3.95Å; Y42-Y54 HydrophobicContact CD2-CE1 3.95Å; Y42-Y54 AromaticContact CD2-CE2 3.74Å; Y42-Y54 HydrophobicContact CD2-CE2 3.74Å; Y42-Y54 HydrophobicContact CD2-CG 4.17Å; Y42-Y54 AromaticContact CD2-CZ 3.73Å; Y42-Y54 HydrophobicContact CE2-CD2 4.47Å; Y42-Y54 HydrophobicContact CE2-CE2 4.16Å; Y42-Y54 HydrophobicContact CG-CE1 4.28Å
55L88.6Confident81.4Confident2 Ų275.6 Ų75.61%0.0141%0.405CS..EExtended strand (participates in β ladder)trans-120.8143.6171.3-79.7-175.3000110.8Y12 V24 F30 W40 W41 V43 F53 K57 L60Y12-L55 HydrophobicContact CD1-CD2 3.28Å; Y12-L55 HydrophobicContact CE1-CD2 3.64Å; Y12-L55 HydrophobicContact CG-CD2 3.83Å; V24-L55 HydrophobicContact CG1-CD1 4.31Å; V24-L55 HydrophobicContact CG2-CD1 4.21Å; V24-L55 HydrophobicContact CG2-CD2 4.23Å; F30-L55 HydrophobicContact CD2-CD1 4.43Å; F30-L55 HydrophobicContact CE2-CD1 4.45Å; W40-L55 CarbonylContact C-O 3.52Å; W40-L55 WeakPolarHBondContact CA-O 3.4Å; W41-L55 PolarHBondContact N-O 2.84Å; W41-L55 PolarHBondContact O-N 2.95Å; V43-L55 HydrophobicContact CG2-CB 4.39Å; V43-L55 HydrophobicContact CG2-CD1 3.81Å; V43-L55 HydrophobicContact CG2-CG 4.04Å; F53-L55 HydrophobicContact CD2-CD1 4.43Å; F53-L55 HydrophobicContact CD2-CD2 4.08Å; F53-L55 HydrophobicContact CD2-CG 3.78Å; F53-L55 HydrophobicContact CE2-CD1 3.67Å; F53-L55 HydrophobicContact CE2-CD2 3.85Å; F53-L55 HydrophobicContact CE2-CG 3.51Å; L55-K57 PolarHBondContact O-N 3.45Å; L55-L60 HydrophobicContact CB-CD1 3.81Å; L55-L60 HydrophobicContact CB-CD2 4.4Å; L55-L60 HydrophobicContact CB-CG 4.2Å; L55-L60 HydrophobicContact CD1-CD1 4.49Å; L55-L60 HydrophobicContact CD1-CD2 3.73Å; L55-L60 HydrophobicContact CD1-CG 4.41Å
56P90Very high80Confident16 Ų1678.1 Ų78.110%0.10442%0.419CS..EExtended strand (participates in β ladder)trans-65.6130.7176.223.8-27.6000109.7Y12 H39 W40 S58 Y59Y12-P56 HydrophobicContact CE2-CG 4.37Å; H39-P56 CarbonylContact O-C 3.55Å; H39-P56 VanDerWaalsContact O-CA 3.28Å; H39-P56 WeakPolarHBondContact O-CA 3.3Å; W40-P56 HydrophobicContact CE3-CB 4.33Å; W40-P56 HydrophobicContact CH2-CB 4.47Å; W40-P56 HydrophobicContact CZ3-CB 4.28Å; W40-P56 HydrophobicContact CZ3-CG 4.25Å; P56-S58 PolarHBondContact O-N 3.02Å; P56-S58 VanDerWaalsContact O-N 3.13Å; P56-Y59 HydrophobicContact CB-CD2 4.12Å; P56-Y59 HydrophobicContact CG-CD2 3.53Å; P56-Y59 HydrophobicContact CG-CE2 4.15Å; P56-Y59 HydrophobicContact CG-CG 3.75Å; P56-Y59 WeakPolarHBondContact O-CB 3.45Å; P56-Y59 PolarHBondContact O-N 2.92Å
57K89.5Confident78.8Confident96 Ų9681.1 Ų81.142%0.41743%0.427SS..G310 helixtrans-52.6-37.2179.2176.1179.8177.8178.90112.1E38 H39 W41 L55 Y59 L60E38-K57 VanDerWaalsContact O-CD 3.3Å; E38-K57 WeakPolarHBondContact O-CD 3.3Å; H39-K57 PolarHBondContact O-N 2.87Å; W41-K57 HydrophobicContact CD2-CB 4.19Å; W41-K57 HydrophobicContact CD2-CG 4.09Å; W41-K57 HydrophobicContact CE3-CG 4.33Å; W41-K57 HydrophobicContact CG-CB 4.49Å; W41-K57 HydrophobicContact CH2-CD 4.22Å; W41-K57 HydrophobicContact CH2-CG 3.9Å; W41-K57 HydrophobicContact CZ2-CD 3.56Å; W41-K57 VanDerWaalsContact CZ2-CE 3.46Å; W41-K57 HydrophobicContact CZ2-CG 3.65Å; W41-K57 HydrophobicContact CZ3-CG 4.22Å; L55-K57 PolarHBondContact O-N 3.45Å; K57-Y59 PolarHBondContact O-N 2.95Å; K57-Y59 VanDerWaalsContact O-N 3.14Å; K57-L60 PolarHBondContact O-N 2.74Å; K57-L60 VanDerWaalsContact O-O 3.09Å
58S90.8Very high77.5Confident96 Ų9683.5 Ų83.567%0.67144%0.441SS*.G310 helixtrans-62.4-18.5177.7-55.10000114.1P56P56-S58 PolarHBondContact O-N 3.02Å; P56-S58 VanDerWaalsContact O-N 3.13Å
59Y90.9Very high76.4Confident91 Ų9185.3 Ų85.336%0.35745%0.446SS..G310 helixtrans-93.9-3.6176.5-78.4-124.4000112.1A8 L9 Y10 Y12 P56 K57A8-Y59 CarbonylContact C-O 3.49Å; A8-Y59 WeakPolarHBondContact CA-O 3.37Å; L9-Y59 PolarHBondContact N-O 3.31Å; Y10-Y59 AromaticContact CD2-CD1 3.98Å; Y10-Y59 HydrophobicContact CD2-CD1 3.98Å; Y10-Y59 HydrophobicContact CD2-CE1 4.24Å; Y10-Y59 HydrophobicContact CD2-CG 4.17Å; Y10-Y59 HydrophobicContact CG-CD1 4.33Å; Y10-Y59 HydrophobicContact CG-CE1 4.37Å; Y12-Y59 HydrophobicContact CD2-CD1 4.34Å; Y12-Y59 HydrophobicContact CD2-CE1 4.27Å; P56-Y59 HydrophobicContact CB-CD2 4.12Å; P56-Y59 HydrophobicContact CG-CD2 3.53Å; P56-Y59 HydrophobicContact CG-CE2 4.15Å; P56-Y59 HydrophobicContact CG-CG 3.75Å; P56-Y59 WeakPolarHBondContact O-CB 3.45Å; P56-Y59 PolarHBondContact O-N 2.92Å; K57-Y59 PolarHBondContact O-N 2.95Å; K57-Y59 VanDerWaalsContact O-N 3.14Å
60L90.1Very high75.3Confident14 Ų1489.6 Ų89.67%0.07347%0.472CS..EExtended strand (participates in β ladder)trans-115.2135.5-173.7-65.8176.1000110.8V6 K7 W41 V43 L55 K57V6-L60 HydrophobicContact CB-CB 4.37Å; V6-L60 HydrophobicContact CB-CD2 4.31Å; V6-L60 HydrophobicContact CG2-CD1 4.2Å; V6-L60 HydrophobicContact CG2-CD2 3.99Å; K7-L60 CarbonylContact O-C 3.59Å; K7-L60 WeakPolarHBondContact O-CA 3.09Å; W41-L60 HydrophobicContact CB-CD1 3.96Å; W41-L60 HydrophobicContact CD2-CD1 4.42Å; W41-L60 HydrophobicContact CE3-CB 4.09Å; W41-L60 HydrophobicContact CE3-CD1 3.72Å; W41-L60 HydrophobicContact CZ3-CB 4.24Å; V43-L60 HydrophobicContact CG1-CD1 4Å; L55-L60 HydrophobicContact CB-CD1 3.81Å; L55-L60 HydrophobicContact CB-CD2 4.4Å; L55-L60 HydrophobicContact CB-CG 4.2Å; L55-L60 HydrophobicContact CD1-CD1 4.49Å; L55-L60 HydrophobicContact CD1-CD2 3.73Å; L55-L60 HydrophobicContact CD1-CG 4.41Å; K57-L60 PolarHBondContact O-N 2.74Å; K57-L60 VanDerWaalsContact O-O 3.09Å
61K90.5Very high74.5Confident87 Ų8787.9 Ų87.938%0.37847%0.468SS..EExtended strand (participates in β ladder)trans-109.1124166.7-177.3176.4178.9-171.30109.1V6 K7 L9 L63 E67V6-K61 CarbonylContact C-O 3.57Å; V6-K61 VanDerWaalsContact CA-O 3.31Å; V6-K61 WeakPolarHBondContact CA-O 3.49Å; K7-K61 PolarHBondContact N-O 3.2Å; K7-K61 PolarHBondContact O-N 3.38Å; L9-K61 HydrophobicContact CD1-CB 4.43Å; L9-K61 HydrophobicContact CD2-CB 3.88Å; L9-K61 HydrophobicContact CG-CB 4.18Å; K61-L63 PolarHBondContact O-N 2.88Å; K61-E67 WeakPolarHBondContact CE-OE2 3.22Å; K61-E67 IonicContact NZ-OE1 2.62Å; K61-E67 PolarHBondContact NZ-OE1 2.87Å; K61-E67 IonicContact NZ-OE2 2.91Å; K61-E67 PolarHBondContact NZ-OE2 2.68Å
62V89.7Confident73.9Confident50 Ų5087.2 Ų87.230%0.30347%0.47SS..EExtended strand (participates in β ladder)trans-67.3124.8172.2-178.40000108.9T4 V6 W41 S64T4-V62 HydrophobicContact CG2-CG1 3.6Å; V6-V62 HydrophobicContact CG1-CG2 4.14Å; W41-V62 HydrophobicContact CH2-CG2 3.53Å; W41-V62 HydrophobicContact CZ3-CG2 3.57Å; V62-S64 PolarHBondContact O-N 2.79Å
63L85.6Confident72.4Confident46 Ų4692.4 Ų92.424%0.24150%0.501CS..EExtended strand (participates in β ladder)trans-91.387.9170.5-59.8-176.1000107.5I5 K7 K29 K61I5-L63 HydrophobicContact CB-CB 4.42Å; I5-L63 HydrophobicContact CG2-CD1 4.11Å; I5-L63 PolarHBondContact O-N 3.35Å; K7-L63 HydrophobicContact CB-CD1 4.04Å; K7-L63 HydrophobicContact CB-CD2 4.06Å; K7-L63 HydrophobicContact CB-CG 3.99Å; K7-L63 HydrophobicContact CD-CD2 4.42Å; K29-L63 HydrophobicContact CD-CD1 3.88Å; K29-L63 HydrophobicContact CG-CD1 4.04Å; K61-L63 PolarHBondContact O-N 2.88Å
64S71.6Confident70.9Confident78 Ų7895.5 Ų95.555%0.54553%0.532SS..  trans-61.5142.9162-60.20000108V62 E66V62-S64 PolarHBondContact O-N 2.79Å; S64-E66 PolarHBondContact O-N 3.4Å
65V60.8Low69.4Low152 Ų15295.5 Ų95.592%0.92154%0.54SS*.THydrogen-bonded Turntrans-6616.1-173.2-1770000112.9
66E55.3Low67.8Low176 Ų176103.2 Ų103.282%0.82258%0.576SS**THydrogen-bonded Turntrans-127.38.1-168.2-68-175.890.700115.6S64 N68S64-E66 PolarHBondContact O-N 3.4Å; E66-N68 PolarHBondContact O-N 3.27Å
67E49.7Very low65.9Low140 Ų140109.7 Ų109.765%0.65461%0.609SS**  trans-98.175.1172-81.4-168.784.900111.8K61K61-E67 WeakPolarHBondContact CE-OE2 3.22Å; K61-E67 IonicContact NZ-OE1 2.62Å; K61-E67 PolarHBondContact NZ-OE1 2.87Å; K61-E67 IonicContact NZ-OE2 2.91Å; K61-E67 PolarHBondContact NZ-OE2 2.68Å
68N43.1Very low64.3Low155 Ų155112.4 Ų112.483%0.82962%0.623SS**  trans-116.223.1156.7-160.863.5000112.4E66 C70E66-N68 PolarHBondContact O-N 3.27Å; N68-C70 PolarHBondContact O-N 3.4Å
69D44.8Very low62.4Low119 Ų119115.6 Ų115.664%0.63663%0.627SS**  trans-93.874.3170.7-152-98000109.1N71D69-N71 PolarHBondContact O-N 3.22Å; D69-N71 WeakPolarHBondContact OD1-CB 3.22Å; D69-N71 PolarHBondContact OD1-ND2 3.49Å
70C44.2Very low60Low121 Ų121118.8 Ų118.882%0.81865%0.645SS**  trans-68.378155-79.20000107.3N68 P72N68-C70 PolarHBondContact O-N 3.4Å; C70-P72 WeakPolarHBondContact O-CD 3.16Å
71N54.3Low58.1Low123 Ų123126.4 Ų126.466%0.65868%0.68SS**  trans-74.2106.2155.3-105.1-40.4000106.7D69D69-N71 PolarHBondContact O-N 3.22Å; D69-N71 WeakPolarHBondContact OD1-CB 3.22Å; D69-N71 PolarHBondContact OD1-ND2 3.49Å
72P62.6Low56.1Low100 Ų100130.6 Ų130.665%0.64970%0.701SS**  trans-65.7131163.328.6-32.1000107.7C70 A74C70-P72 WeakPolarHBondContact O-CD 3.16Å; P72-A74 PolarHBondContact O-N 3.49Å
73P51.4Low54Low126 Ų126136.8 Ų136.882%0.81873%0.726SS**  trans-69.986.1161.229.5-29.4000106.6D75P73-D75 PolarHBondContact O-N 3.18Å
74A57.6Low52.1Low94 Ų94139.4 Ų139.478%0.77775%0.749SS**  trans-69.694161.100000106.6P72P72-A74 PolarHBondContact O-N 3.49Å
75D56Low50.9Low124 Ų124140.6 Ų140.666%0.66376%0.757SS**  trans-41173.3154.6-157.5-79.9000111.7P73P73-D75 PolarHBondContact O-N 3.18Å
76H54.7Low50.3Low164 Ų164140.9 Ų140.976%0.75975%0.752SS**  trans9356.6-174.8-41.898.3000116.2H78H76-H78 PolarHBondContact O-N 3.18Å
77N51.1Low49.7Very low151 Ų151143 Ų14381%0.80775%0.753SS**  trans-72.897.2144.8-16922.1000108.8
78H55.7Low49.6Very low153 Ų153140.7 Ų140.771%0.70875%0.752SS**  trans-156.2110.5160.5-82.2121.4000113.2H76H76-H78 PolarHBondContact O-N 3.18Å
79H51.6Low49.3Very low163 Ų163140.7 Ų140.776%0.75575%0.752SS**  trans59.594.6141.8-60.1111.4000120.7H81H79-H81 PolarHBondContact O-N 2.84Å
80H40.7Very low49.6Very low159 Ų159142.3 Ų142.374%0.73676%0.76SS**  16.9101.6112-158.4113.7000115.9
81H48.4Very low49.7Very low174 Ų174143.2 Ų143.281%0.80676%0.757SS**  -168.7126.6129.6-111.9-80.4000111.5H79H79-H81 PolarHBondContact O-N 2.84Å
82Q48.8Very low49.6Very low174 Ų174144.6 Ų144.681%0.81376%0.764SS**  trans-66.1134.9173.3-55.8177.4-45.900110.6
83H45.2Very low48.8Very low181 Ų181148 Ų14884%0.83877%0.769SS**  -172.1122.4129.2-139.6-118.3000111.7
84S46.6Very low48.8Very low101 Ų101150.9 Ų150.971%0.70677%0.771SS**  trans-73.7138.9170.441.70000112.8
85S47.4Very low48.3Very low102 Ų102155 Ų15571%0.71378%0.775SS**  trans172.698.4150.2-760000107.9
86L47.4Very low48Very low158 Ų158152.5 Ų152.583%0.82778%0.778SS**  40.1136.192.7-61.5173.2000115.5
87W43.6Very low47.6Very low220 Ų220151.8 Ų151.883%0.83378%0.779SS**  trans60.7113.3160.965.9-79.7000119.2
88S47.7Very low47.4Very low92 Ų92151 Ų15164%0.64378%0.776SS**  173128.6108.8-73.70000111.6
89L36.5Very low47.4Very low156 Ų156149 Ų14982%0.81778%0.778SS**  trans-100117.2178.1-177.1141000106.9
90N49.6Very low47.3Very low152 Ų152148.8 Ų148.881%0.81378%0.783SS**  trans-135.7106.9169.8-83.573.1000108.9
91D46Very low48.1Very low141 Ų141148 Ų14875%0.75479%0.789SS**  trans-61.9128.5156-105.2-103.2000109.1
92D53Low48.5Very low151 Ų151143.7 Ų143.781%0.80778%0.778SS**  trans-147.8127.5155.5-162.7-111.2000109.2
93F46.3Very low48.6Very low173 Ų173143.2 Ų143.276%0.75978%0.776SS**  trans-83.5125.1-169.1-135.4-98.2000109.6
94H51.2Low49Very low185 Ų185145.4 Ų145.486%0.85678%0.779SS**  trans-139.2109.8162.7-118.5-114.2000111.3
95E46.6Very low49.5Very low182 Ų182146.2 Ų146.285%0.8578%0.784SS**  trans-68.7131.8172.3-165.3178.8101.800109.6
96G49.1Very low50.1Low71 Ų71146.4 Ų146.473%0.73278%0.783SS**  trans16976.4178.400000116.8
97N46.8Very low50.3Low148 Ų148144.7 Ų144.779%0.79178%0.784SS**  trans49.5116.3132-16072.5000120.9
98D48Very low51Low136 Ų136139.9 Ų139.973%0.72778%0.779SS**  trans51.1112.2145.6-102.4-108.1000119.7
99S55.6Low51.2Low110 Ų110141.3 Ų141.377%0.76979%0.786SS**  157128.4114.7-63.50000111.5
100D50Low51.8Low159 Ų159143.2 Ų143.285%0.8579%0.788SS**  trans67.7102.6154.9-137.2-118.8000119.3S102D100-S102 PolarHBondContact O-N 3.4Å
101V55.6Low51.8Low142 Ų142139.2 Ų139.286%0.86178%0.783SS**  trans-76.7107.4170.351.10000109.9
102S58.5Low52.1Low83 Ų83138.5 Ų138.558%0.5879%0.787SS**  trans-83.1138165.8-152.80000110.4D100D100-S102 PolarHBondContact O-N 3.4Å
103E50.1Low52Low165 Ų165139.4 Ų139.477%0.77179%0.792SS**  trans67.595.6151.5-69.516895.200119.8
104Y54Low52.5Low227 Ų227136 Ų13689%0.8979%0.789SS**  trans-123.6102.2143.3-123.8-92.3000108.3
105S57.7Low52.6Low118 Ų118135.9 Ų135.983%0.82579%0.789SS**  trans-111.3103.9166.4-76.20000109.2
106P59.2Low52.9Low105 Ų105133.4 Ų133.468%0.68279%0.792SS**PPolyproline II helixtrans-89.2135.4160.431.9-26.2000110.2
107S51Low53.3Low123 Ų123140.9 Ų140.986%0.8680%0.798SS**PPolyproline II helixtrans-53136-175.3-41.50000114.7
108V59.2Low53.9Low119 Ų119145.6 Ų145.672%0.72180%0.804SS**PPolyproline II helixtrans-59.9159.3178.5-65.30000114.2
109P51.9Low54.5Low122 Ų122145.1 Ų145.179%0.79281%0.806SS**  -122.5132.5126.533.7-26.7000111G111P109-G111 PolarHBondContact O-N 2.92Å
110F48.5Very low54.6Low195 Ų195145 Ų14586%0.85581%0.805SS**  trans-37.8100.1179.2-73.3-100.8000114.3
111G49.8Very low55.1Low68 Ų68141.4 Ų141.470%0.70180%0.798SS**  trans-95.2102.8150.700000107.4P109 L113P109-G111 PolarHBondContact O-N 2.92Å; G111-L113 PolarHBondContact O-N 3.2Å
112C52Low55.5Low126 Ų126140.3 Ų140.385%0.85180%0.796SS**PPolyproline II helixtrans-56.4131.8176-930000110.2
113L50.9Low55.7Low171 Ų171143.5 Ų143.590%0.89581%0.805SS**PPolyproline II helixtrans-53.7135.8-169.8-71.8151.1000113.3G111G111-L113 PolarHBondContact O-N 3.2Å
114S56.9Low56.7Low102 Ų102145.1 Ų145.171%0.71383%0.83SS**PPolyproline II helixtrans-57.7145.2159.4-660000111.7
115E53.4Low56.8Low182 Ų182141 Ų14185%0.8583%0.827SS**  trans61.491145.8-68.8-177.179.500118.3R117E115-R117 PolarHBondContact O-N 2.81Å
116S52.3Low56.7Low129 Ų129142.2 Ų142.290%0.90283%0.827SS**  trans-56.7115.3152.3-82.50000110.6R118S116-R118 PolarHBondContact O-N 3.18Å
117R58.2Low56.6Low229 Ų229144.3 Ų144.386%0.86484%0.835SS**  trans-31118.7169.9-65.5172.9176.9-174.7-2.6113.8E115 V119E115-R117 PolarHBondContact O-N 2.81Å; R117-V119 PolarHBondContact O-N 3.07Å
118R59Low56.9Low246 Ų246145.5 Ų145.593%0.92883%0.834SS**  trans-66.4106.2151.9-79.7-175172174.4-1.2108.3S116 S120S116-R118 PolarHBondContact O-N 3.18Å; R118-S120 PolarHBondContact O-N 3.29Å
119V59.9Low56.8Low126 Ų126147.2 Ų147.276%0.76484%0.841SS**  trans-85.6102.9160174.90000106.7R117 A121R117-V119 PolarHBondContact O-N 3.07Å; V119-A121 PolarHBondContact O-N 2.73Å
120S59.6Low57.1Low108 Ų108148.9 Ų148.976%0.75584%0.844SS**  trans-78.4109161.1-67.60000107.3R118R118-S120 PolarHBondContact O-N 3.29Å
121A59.9Low57.7Low83 Ų83145.6 Ų145.669%0.68684%0.843SS**  trans-92.9107161.600000107.4V119V119-A121 PolarHBondContact O-N 2.73Å
122S63.4Low58.4Low119 Ų119151.5 Ų151.583%0.83285%0.854SS**  trans-83.8129.7157.3-62.60000107.5
123I62.1Low58.9Low150 Ų150153.7 Ų153.777%0.76985%0.854SS**  trans-126.9136.4166.5-63.7-176.2000104.5
124P71.1Confident59.6Low199 Ų199152.1 Ų152.1100%1.29285%0.851SS**  trans-520-156.319.1-37.4000117.8

Retrieved 124 of 124 residues in 65.3 ms (Link to these results)