C4QLP6_SCHMA Loading...

Ubiquitin-fold modifier 1

Ubiquitin-like modifier.

AlphaFold DB , UniProt , Accession C4QLP6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 85 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
1M66.7Low94Very high190 Ų19054.1 Ų54.194%0.93628%0.282SS*.  0113.20-105.5174-167.800108.3
2S91.1Very high93.8Very high66 Ų6654.4 Ų54.446%0.46229%0.292SS..  trans-67.1140.8172.7350000110E25S2-E25 VanDerWaalsContact CB-OE1 3.27Å; S2-E25 WeakPolarHBondContact CB-OE1 3.22Å; S2-E25 WeakPolarHBondContact CB-OE2 3.4Å; S2-E25 PolarHBondContact O-N 3.08Å; S2-E25 VanDerWaalsContact O-N 3.1Å; S2-E25 PolarHBondContact OG-OE1 3.32Å; S2-E25 PolarHBondContact OG-OE2 2.89Å
3K95Very high93.9Very high150 Ų15054.3 Ų54.365%0.65229%0.291SS*.EExtended strand (participates in β ladder)trans-118.6142.1178.1-67.7-175.6-179.6-177.60108.8V23K3-V23 CarbonylContact C-O 3.55Å; K3-V23 VanDerWaalsContact CA-O 3.25Å; K3-V23 WeakPolarHBondContact CA-O 3.44Å
4I96.3Very high94Very high11 Ų1159 Ų596%0.05633%0.326CS..EExtended strand (participates in β ladder)trans-116158.2175.148.5166.9000110F6 K22 V23 E25 A63 F67I4-F6 HydrophobicContact CD1-CE2 3.54Å; I4-F6 HydrophobicContact CD1-CZ 3.62Å; I4-F6 HydrophobicContact CG1-CE2 4.22Å; I4-K22 WeakPolarHBondContact O-CA 3.27Å; I4-V23 HydrophobicContact CD1-CG2 4.42Å; I4-V23 HydrophobicContact CG1-CG2 4.01Å; I4-V23 PolarHBondContact N-O 3.23Å; I4-V23 PolarHBondContact O-N 3.5Å; I4-E25 HydrophobicContact CB-CG 4.35Å; I4-E25 HydrophobicContact CD1-CG 4.38Å; I4-E25 HydrophobicContact CG1-CG 4.04Å; I4-E25 HydrophobicContact CG2-CG 3.55Å; I4-A63 HydrophobicContact CD1-CB 3.8Å; I4-A63 WeakPolarHBondContact CD1-O 3.49Å; I4-F67 HydrophobicContact CB-CD2 4.11Å; I4-F67 HydrophobicContact CB-CE2 4.45Å; I4-F67 HydrophobicContact CB-CG 4.3Å; I4-F67 HydrophobicContact CD1-CB 3.66Å; I4-F67 HydrophobicContact CD1-CD2 4.37Å; I4-F67 HydrophobicContact CD1-CG 4.16Å; I4-F67 HydrophobicContact CG2-CD1 4.19Å; I4-F67 HydrophobicContact CG2-CD2 4.33Å; I4-F67 HydrophobicContact CG2-CE1 4.47Å; I4-F67 HydrophobicContact CG2-CG 4.12Å
5S97.8Very high94.2Very high48 Ų4864.2 Ų64.234%0.33635%0.353SS..EExtended strand (participates in β ladder)trans-116.7129-180-54.80000110L21 K22 S72S5-L21 CarbonylContact C-O 3.53Å; S5-L21 VanDerWaalsContact CA-O 3.28Å; S5-L21 WeakPolarHBondContact CA-O 3.42Å; S5-K22 WeakPolarHBondContact OG-CG 3.47Å; S5-S72 WeakPolarHBondContact O-CB 3.37Å
6F98.1Very high94.4Very high0 Ų065.8 Ų65.80%036%0.36CS..EExtended strand (participates in β ladder)trans-109.3137.9168.2-66.2-74000110I4 I8 V20 L21 V23 F29 V32 A63 V66 F67 G71 S72 L74I4-F6 HydrophobicContact CD1-CE2 3.54Å; I4-F6 HydrophobicContact CD1-CZ 3.62Å; I4-F6 HydrophobicContact CG1-CE2 4.22Å; F6-I8 HydrophobicContact CB-CD1 4.4Å; F6-I8 HydrophobicContact CB-CG1 4.06Å; F6-V20 CarbonylContact O-C 3.54Å; F6-V20 VanDerWaalsContact O-CA 3.26Å; F6-V20 WeakPolarHBondContact O-CA 3.35Å; F6-L21 PolarHBondContact N-O 3.4Å; F6-L21 PolarHBondContact O-N 2.97Å; F6-V23 HydrophobicContact CD2-CG2 4.06Å; F6-V23 HydrophobicContact CE2-CG2 3.94Å; F6-F29 HydrophobicContact CD2-CE2 4.35Å; F6-F29 HydrophobicContact CE1-CE2 4.24Å; F6-F29 HydrophobicContact CE2-CD2 4.36Å; F6-F29 AromaticContact CE2-CE2 3.87Å; F6-F29 HydrophobicContact CE2-CE2 3.87Å; F6-F29 HydrophobicContact CZ-CD2 4.35Å; F6-F29 AromaticContact CZ-CE2 3.79Å; F6-F29 HydrophobicContact CZ-CE2 3.79Å; F6-V32 HydrophobicContact CD2-CG1 4.17Å; F6-A63 HydrophobicContact CE2-CB 4.08Å; F6-A63 WeakPolarHBondContact CZ-O 3.46Å; F6-V66 HydrophobicContact CE1-CG1 4.17Å; F6-V66 HydrophobicContact CZ-CB 4.38Å; F6-V66 HydrophobicContact CZ-CG1 4.33Å; F6-F67 HydrophobicContact CD1-CD2 4.47Å; F6-F67 HydrophobicContact CE1-CB 3.97Å; F6-F67 AromaticContact CE1-CD2 3.98Å; F6-F67 HydrophobicContact CE1-CD2 3.98Å; F6-F67 HydrophobicContact CE1-CG 4.5Å; F6-F67 HydrophobicContact CZ-CB 3.85Å; F6-F67 HydrophobicContact CZ-CD2 4.35Å; F6-G71 WeakPolarHBondContact CE1-O 3.41Å; F6-S72 CarbonylContact C-O 3.56Å; F6-S72 VanDerWaalsContact CA-O 3.31Å; F6-S72 WeakPolarHBondContact CA-O 3.15Å; F6-L74 HydrophobicContact CD1-CD1 3.5Å; F6-L74 VanDerWaalsContact CD1-CD1 3.5Å; F6-L74 HydrophobicContact CD1-CG 4.17Å; F6-L74 HydrophobicContact CE1-CD1 3.83Å; F6-L74 HydrophobicContact CG-CD1 4.22Å
7K98.4Very high94.6Very high73 Ų7364.6 Ų64.632%0.31736%0.357SS..EExtended strand (participates in β ladder)trans-99.3111.5163.5175.6174.6156.7-1440107.4F18 K19 V20 S72 D73 L74K7-F18 HydrophobicContact CD-CD2 3.84Å; K7-F18 HydrophobicContact CD-CE2 4.19Å; K7-F18 HydrophobicContact CD-CG 4.21Å; K7-F18 HydrophobicContact CG-CB 4.1Å; K7-F18 HydrophobicContact CG-CD2 3.69Å; K7-F18 HydrophobicContact CG-CE2 4.43Å; K7-F18 HydrophobicContact CG-CG 4.09Å; K7-K19 WeakPolarHBondContact CA-O 3.23Å; K7-V20 HydrophobicContact CB-CG2 4.43Å; K7-S72 PolarHBondContact N-O 3.32Å; K7-D73 WeakPolarHBondContact CD-OD1 3.2Å; K7-D73 IonicContact NZ-OD1 2.79Å; K7-L74 PolarHBondContact O-N 3.02Å
8I98.4Very high94.8Very high0 Ų067.4 Ų67.40%037%0.365CS..EExtended strand (participates in β ladder)trans-108.6120.8-178.9-57-179.9000108.6F6 F18 K19 L21 V32 A36 F40 I49 L74 L76F6-I8 HydrophobicContact CB-CD1 4.4Å; F6-I8 HydrophobicContact CB-CG1 4.06Å; I8-F18 CarbonylContact O-C 3.55Å; I8-F18 WeakPolarHBondContact O-CA 3.36Å; I8-K19 PolarHBondContact N-O 2.94Å; I8-K19 PolarHBondContact O-N 2.88Å; I8-L21 HydrophobicContact CD1-CD1 3.73Å; I8-L21 HydrophobicContact CD1-CG 4.46Å; I8-V32 HydrophobicContact CD1-CG1 4.19Å; I8-A36 HydrophobicContact CD1-CB 3.61Å; I8-A36 HydrophobicContact CG2-CB 4.27Å; I8-F40 HydrophobicContact CG2-CE2 4.26Å; I8-F40 WeakPolarHBondContact O-CZ 3.44Å; I8-I49 HydrophobicContact CD1-CD1 4.01Å; I8-L74 WeakPolarHBondContact CA-O 3.28Å; I8-L74 HydrophobicContact CG1-CB 4.34Å; I8-L76 HydrophobicContact CG2-CB 3.76Å
9T98.4Very high95Very high19 Ų1968.2 Ų68.212%0.11736%0.364CS..EExtended strand (participates in β ladder)trans-101.9130.1179.1-53.60000110.4T11 L16 P17 L74 R75 L76T9-T11 PolarHBondContact O-N 3.48Å; T9-L16 HydrophobicContact CG2-CB 3.92Å; T9-L16 HydrophobicContact CG2-CD2 4.41Å; T9-P17 WeakPolarHBondContact CA-O 3.47Å; T9-L74 PolarHBondContact N-O 2.82Å; T9-R75 CarbonylContact O-C 3.5Å; T9-R75 WeakPolarHBondContact O-CA 3.45Å; T9-L76 PolarHBondContact O-N 2.83Å
10L97.5Very high95.1Very high12 Ų1269 Ų696%0.06337%0.372CS..EExtended strand (participates in β ladder)trans-82.1110.7174.3-179.471.1000110S12 D13 P17 F40 V42 L76L10-S12 VanDerWaalsContact CD1-OG 3.29Å; L10-S12 WeakPolarHBondContact CD1-OG 3.35Å; L10-S12 WeakPolarHBondContact CG-OG 3.23Å; L10-D13 HydrophobicContact CD2-CB 3.91Å; L10-D13 HydrophobicContact CG-CB 4.35Å; L10-P17 HydrophobicContact CB-CG 4.18Å; L10-P17 HydrophobicContact CD2-CG 4.44Å; L10-P17 PolarHBondContact N-O 2.8Å; L10-F40 HydrophobicContact CB-CD1 3.87Å; L10-F40 HydrophobicContact CB-CD2 4.17Å; L10-F40 HydrophobicContact CB-CE1 3.91Å; L10-F40 HydrophobicContact CB-CE2 4.21Å; L10-F40 HydrophobicContact CB-CG 4.01Å; L10-F40 HydrophobicContact CB-CZ 4.08Å; L10-F40 HydrophobicContact CD1-CB 4.39Å; L10-F40 HydrophobicContact CD1-CG 4.43Å; L10-F40 HydrophobicContact CD2-CB 4.09Å; L10-F40 HydrophobicContact CD2-CD1 4.05Å; L10-F40 HydrophobicContact CD2-CG 4.15Å; L10-F40 HydrophobicContact CG-CG 4.44Å; L10-V42 HydrophobicContact CD1-CG1 4.39Å; L10-V42 HydrophobicContact CD1-CG2 4.47Å; L10-L76 HydrophobicContact CD1-CB 4.35Å; L10-L76 HydrophobicContact CD1-CD2 3.92Å; L10-L76 HydrophobicContact CD1-CG 4.31Å
11T95.9Very high95.2Very high26 Ų2666.2 Ų66.216%0.1636%0.357CS..THydrogen-bonded Turntrans-89.7-4-175.474.10000114T9 D13 R75 L76 I77T9-T11 PolarHBondContact O-N 3.48Å; T11-D13 VanDerWaalsContact C-N 3.32Å; T11-R75 HydrophobicContact CG2-CB 3.67Å; T11-R75 HydrophobicContact CG2-CG 3.79Å; T11-L76 PolarHBondContact N-O 3.28Å; T11-L76 VanDerWaalsContact N-O 3.08Å; T11-L76 PolarHBondContact OG1-O 3.29Å; T11-I77 HydrophobicContact CG2-CG2 4.3Å; T11-I77 VanDerWaalsContact OG1-CG2 3.31Å; T11-I77 WeakPolarHBondContact OG1-CG2 3.31Å
12S92.6Very high96.7Very high58 Ų5864.7 Ų64.741%0.40635%0.345SS..THydrogen-bonded Turntrans-79.7-19173.255.60000112.3L10L10-S12 VanDerWaalsContact CD1-OG 3.29Å; L10-S12 WeakPolarHBondContact CD1-OG 3.35Å; L10-S12 WeakPolarHBondContact CG-OG 3.23Å
13D94.3Very high97Very high53 Ų5362.6 Ų62.628%0.28333%0.329SS..SBendtrans-96127.9176-173.3-43.5000109.8L10 T11 N15 L16 P17L10-D13 HydrophobicContact CD2-CB 3.91Å; L10-D13 HydrophobicContact CG-CB 4.35Å; T11-D13 VanDerWaalsContact C-N 3.32Å; D13-N15 PolarHBondContact O-N 3.23Å; D13-N15 VanDerWaalsContact OD1-CB 3.31Å; D13-N15 WeakPolarHBondContact OD1-CB 3.27Å; D13-N15 PolarHBondContact OD1-N 3.1Å; D13-N15 PolarHBondContact OD1-ND2 2.6Å; D13-L16 PolarHBondContact O-N 2.84Å; D13-P17 HydrophobicContact CB-CG 4.14Å
14P95.4Very high97.1Very high120 Ų12057.5 Ų57.578%0.77931%0.312SS*.THydrogen-bonded Turntrans-62.6-21.3-179.226.3-35.5000114L16P14-L16 PolarHBondContact O-N 3.46Å
15N97.4Very high97.1Very high137 Ų13760.6 Ų60.673%0.73333%0.326SS*.THydrogen-bonded Turntrans-79.1-7.6176.1-57.4-64.4000113D13D13-N15 PolarHBondContact O-N 3.23Å; D13-N15 VanDerWaalsContact OD1-CB 3.31Å; D13-N15 WeakPolarHBondContact OD1-CB 3.27Å; D13-N15 PolarHBondContact OD1-N 3.1Å; D13-N15 PolarHBondContact OD1-ND2 2.6Å
16L97.1Very high97.1Very high89 Ų8962.8 Ų62.847%0.46633%0.334SS..  trans49.252-179.3-58.8175.1000113.2T9 D13 P14T9-L16 HydrophobicContact CG2-CB 3.92Å; T9-L16 HydrophobicContact CG2-CD2 4.41Å; D13-L16 PolarHBondContact O-N 2.84Å; P14-L16 PolarHBondContact O-N 3.46Å
17P98.1Very high97.1Very high46 Ų4663.6 Ų63.630%0.29934%0.341SS..  trans-63.1143.417830.5-34000109.7T9 L10 D13 F40T9-P17 WeakPolarHBondContact CA-O 3.47Å; L10-P17 HydrophobicContact CB-CG 4.18Å; L10-P17 HydrophobicContact CD2-CG 4.44Å; L10-P17 PolarHBondContact N-O 2.8Å; D13-P17 HydrophobicContact CB-CG 4.14Å; P17-F40 HydrophobicContact CB-CE1 4.14Å; P17-F40 HydrophobicContact CG-CD1 4.44Å; P17-F40 HydrophobicContact CG-CE1 4.09Å
18F98.1Very high97.1Very high116 Ų11663.7 Ų63.751%0.50935%0.349SS..EExtended strand (participates in β ladder)trans-124.8154.1176.872.5-91.6000112K7 I8 V20K7-F18 HydrophobicContact CD-CD2 3.84Å; K7-F18 HydrophobicContact CD-CE2 4.19Å; K7-F18 HydrophobicContact CD-CG 4.21Å; K7-F18 HydrophobicContact CG-CB 4.1Å; K7-F18 HydrophobicContact CG-CD2 3.69Å; K7-F18 HydrophobicContact CG-CE2 4.43Å; K7-F18 HydrophobicContact CG-CG 4.09Å; I8-F18 CarbonylContact O-C 3.55Å; I8-F18 WeakPolarHBondContact O-CA 3.36Å; F18-V20 HydrophobicContact CD2-CG2 4.2Å; F18-V20 HydrophobicContact CE2-CG2 4.08Å
19K97.6Very high97Very high81 Ų8163.7 Ų63.735%0.35235%0.349SS..EExtended strand (participates in β ladder)trans-126.3139.7174-67.1-75.6-173.5135.20109.1K7 I8 L21 E39 F40K7-K19 WeakPolarHBondContact CA-O 3.23Å; I8-K19 PolarHBondContact N-O 2.94Å; I8-K19 PolarHBondContact O-N 2.88Å; K19-L21 HydrophobicContact CB-CD2 4.36Å; K19-E39 HydrophobicContact CG-CB 4.45Å; K19-E39 IonicContact NZ-OE2 3.95Å; K19-E39 PolarHBondContact NZ-OE2 2.92Å; K19-F40 HydrophobicContact CB-CE2 4.34Å; K19-F40 HydrophobicContact CB-CZ 3.98Å; K19-F40 HydrophobicContact CG-CD1 4.49Å; K19-F40 HydrophobicContact CG-CE1 3.76Å; K19-F40 HydrophobicContact CG-CE2 4.08Å; K19-F40 HydrophobicContact CG-CZ 3.52Å
20V97.8Very high97Very high84 Ų8466 Ų6651%0.50936%0.363SS..EExtended strand (participates in β ladder)trans-100.5113.8173.5-179.40000108.8F6 K7 F18F6-V20 CarbonylContact O-C 3.54Å; F6-V20 VanDerWaalsContact O-CA 3.26Å; F6-V20 WeakPolarHBondContact O-CA 3.35Å; K7-V20 HydrophobicContact CB-CG2 4.43Å; F18-V20 HydrophobicContact CD2-CG2 4.2Å; F18-V20 HydrophobicContact CE2-CG2 4.08Å
21L97.2Very high97Very high12 Ų1268 Ų686%0.06338%0.381CS..EExtended strand (participates in β ladder)trans-104.4123.1-178-56.7-172000110.3S5 F6 I8 K19 V23 V32 F35 A36S5-L21 CarbonylContact C-O 3.53Å; S5-L21 VanDerWaalsContact CA-O 3.28Å; S5-L21 WeakPolarHBondContact CA-O 3.42Å; F6-L21 PolarHBondContact N-O 3.4Å; F6-L21 PolarHBondContact O-N 2.97Å; I8-L21 HydrophobicContact CD1-CD1 3.73Å; I8-L21 HydrophobicContact CD1-CG 4.46Å; K19-L21 HydrophobicContact CB-CD2 4.36Å; L21-V23 HydrophobicContact CB-CG1 4.48Å; L21-V32 HydrophobicContact CD1-CG1 4.19Å; L21-F35 HydrophobicContact CD1-CD1 3.86Å; L21-F35 HydrophobicContact CD2-CD1 3.7Å; L21-F35 HydrophobicContact CD2-CE1 3.57Å; L21-F35 HydrophobicContact CG-CD1 4.4Å; L21-A36 HydrophobicContact CD1-CB 3.9Å
22K97.5Very high97.1Very high157 Ų15766.9 Ų66.968%0.68337%0.374SS*.EExtended strand (participates in β ladder)trans-99.7113.3172.5-74.7-176.6179.9179.20110.1I4 S5I4-K22 WeakPolarHBondContact O-CA 3.27Å; S5-K22 WeakPolarHBondContact OG-CG 3.47Å
23V97Very high97.3Very high22 Ų2265.1 Ų65.113%0.13336%0.36CS..EExtended strand (participates in β ladder)trans-128.3150.3-174.6-60.20000111.3K3 I4 F6 L21 V32 A63K3-V23 CarbonylContact C-O 3.55Å; K3-V23 VanDerWaalsContact CA-O 3.25Å; K3-V23 WeakPolarHBondContact CA-O 3.44Å; I4-V23 HydrophobicContact CD1-CG2 4.42Å; I4-V23 HydrophobicContact CG1-CG2 4.01Å; I4-V23 PolarHBondContact N-O 3.23Å; I4-V23 PolarHBondContact O-N 3.5Å; F6-V23 HydrophobicContact CD2-CG2 4.06Å; F6-V23 HydrophobicContact CE2-CG2 3.94Å; L21-V23 HydrophobicContact CB-CG1 4.48Å; V23-V32 HydrophobicContact CB-CG2 4.39Å; V23-V32 HydrophobicContact CG1-CG2 4.17Å; V23-V32 HydrophobicContact CG2-CG2 4.03Å; V23-A63 HydrophobicContact CG2-CB 3.94Å
24P97.6Very high97.4Very high44 Ų4468.1 Ų68.129%0.28637%0.37SS..EExtended strand (participates in β ladder)trans-58.1141.6168.7-21.333.1000111N26 A27P24-N26 WeakPolarHBondContact CB-OD1 3.4Å; P24-N26 PolarHBondContact O-N 3.3Å; P24-A27 HydrophobicContact CB-CB 4.44Å; P24-A27 WeakPolarHBondContact O-CB 3.38Å; P24-A27 PolarHBondContact O-N 3.08Å
25E97.3Very high97.5Very high75 Ų7566.9 Ų66.935%0.3535%0.353SS..THydrogen-bonded Turntrans-58.6-33.7178.7-77.1173.4-172.400113S2 I4 A27 A63 G64S2-E25 VanDerWaalsContact CB-OE1 3.27Å; S2-E25 WeakPolarHBondContact CB-OE1 3.22Å; S2-E25 WeakPolarHBondContact CB-OE2 3.4Å; S2-E25 PolarHBondContact O-N 3.08Å; S2-E25 VanDerWaalsContact O-N 3.1Å; S2-E25 PolarHBondContact OG-OE1 3.32Å; S2-E25 PolarHBondContact OG-OE2 2.89Å; I4-E25 HydrophobicContact CB-CG 4.35Å; I4-E25 HydrophobicContact CD1-CG 4.38Å; I4-E25 HydrophobicContact CG1-CG 4.04Å; I4-E25 HydrophobicContact CG2-CG 3.55Å; E25-A27 VanDerWaalsContact C-N 3.27Å; E25-A27 PolarHBondContact O-N 3.14Å; E25-A63 PolarHBondContact O-N 3.44Å; E25-G64 PolarHBondContact O-N 2.8Å
26N97.4Very high97.5Very high94 Ų9460.4 Ų60.450%0.50332%0.318SS..THydrogen-bonded Turntrans-82.71.217968.9-38.9000113.8P24P24-N26 WeakPolarHBondContact CB-OD1 3.4Å; P24-N26 PolarHBondContact O-N 3.3Å
27A97.7Very high97.5Very high18 Ų1856.1 Ų56.115%0.14930%0.296CS..SBendtrans-64.9138.417700000110.3P24 E25 F29 T62 A63P24-A27 HydrophobicContact CB-CB 4.44Å; P24-A27 WeakPolarHBondContact O-CB 3.38Å; P24-A27 PolarHBondContact O-N 3.08Å; E25-A27 VanDerWaalsContact C-N 3.27Å; E25-A27 PolarHBondContact O-N 3.14Å; A27-F29 PolarHBondContact O-N 3.33Å; A27-T62 CarbonylContact O-C 3.57Å; A27-A63 HydrophobicContact CB-CB 4.36Å; A27-A63 WeakPolarHBondContact O-CB 3.27Å; A27-A63 PolarHBondContact O-N 2.91Å
28P98.1Very high97.5Very high74 Ų7459.2 Ų59.248%0.48131%0.307SS..BIsolated β-bridgetrans-59.8132.3170.8-2232.9000110.4T30 A31 V32P28-T30 WeakPolarHBondContact CB-OG1 3.25Å; P28-T30 PolarHBondContact O-N 2.82Å; P28-A31 WeakPolarHBondContact O-CB 3.2Å; P28-A31 PolarHBondContact O-N 3.49Å; P28-V32 PolarHBondContact O-N 3.42Å
29F97.9Very high97.4Very high0 Ų057.5 Ų57.50%030%0.3CS..Hα-helixtrans-67.8-22.2-179.6-162-106.7000112.5F6 A27 A31 V32 L33 I49 I57 P59 Q61 A63 V66 L74F6-F29 HydrophobicContact CD2-CE2 4.35Å; F6-F29 HydrophobicContact CE1-CE2 4.24Å; F6-F29 HydrophobicContact CE2-CD2 4.36Å; F6-F29 AromaticContact CE2-CE2 3.87Å; F6-F29 HydrophobicContact CE2-CE2 3.87Å; F6-F29 HydrophobicContact CZ-CD2 4.35Å; F6-F29 AromaticContact CZ-CE2 3.79Å; F6-F29 HydrophobicContact CZ-CE2 3.79Å; A27-F29 PolarHBondContact O-N 3.33Å; F29-A31 VanDerWaalsContact C-N 3.25Å; F29-A31 PolarHBondContact O-N 2.95Å; F29-V32 HydrophobicContact CD2-CB 3.9Å; F29-V32 HydrophobicContact CD2-CG1 4.28Å; F29-V32 HydrophobicContact CD2-CG2 3.97Å; F29-V32 HydrophobicContact CE2-CB 4.04Å; F29-V32 HydrophobicContact CE2-CG1 3.91Å; F29-V32 HydrophobicContact CE2-CG2 4.41Å; F29-V32 HydrophobicContact CG-CB 4.48Å; F29-V32 HydrophobicContact CZ-CG1 4.5Å; F29-V32 WeakPolarHBondContact O-CB 3.44Å; F29-V32 PolarHBondContact O-N 2.81Å; F29-V32 VanDerWaalsContact O-N 3.16Å; F29-L33 PolarHBondContact O-N 2.88Å; F29-I49 HydrophobicContact CE1-CB 4.23Å; F29-I49 HydrophobicContact CE1-CD1 3.9Å; F29-I49 HydrophobicContact CE1-CG2 4.02Å; F29-I49 HydrophobicContact CZ-CD1 3.91Å; F29-I49 HydrophobicContact CZ-CG2 4.13Å; F29-I57 HydrophobicContact CD1-CG2 4.15Å; F29-I57 HydrophobicContact CE1-CG2 3.93Å; F29-P59 HydrophobicContact CD1-CB 4.12Å; F29-Q61 VanDerWaalsContact CB-O 3.29Å; F29-Q61 WeakPolarHBondContact CB-O 3.21Å; F29-Q61 PolarHBondContact N-O 3.1Å; F29-A63 HydrophobicContact CD2-CB 4.36Å; F29-V66 HydrophobicContact CB-CG2 3.98Å; F29-V66 HydrophobicContact CD1-CG2 3.83Å; F29-V66 HydrophobicContact CD2-CB 3.94Å; F29-V66 HydrophobicContact CD2-CG1 4.16Å; F29-V66 HydrophobicContact CD2-CG2 3.73Å; F29-V66 HydrophobicContact CE1-CG1 4.17Å; F29-V66 HydrophobicContact CE1-CG2 4.24Å; F29-V66 HydrophobicContact CE2-CB 4.02Å; F29-V66 HydrophobicContact CE2-CG1 3.74Å; F29-V66 HydrophobicContact CE2-CG2 4.16Å; F29-V66 HydrophobicContact CG-CB 4.28Å; F29-V66 HydrophobicContact CG-CG2 3.55Å; F29-V66 HydrophobicContact CZ-CB 4.42Å; F29-V66 HydrophobicContact CZ-CG1 3.75Å; F29-V66 HydrophobicContact CZ-CG2 4.4Å; F29-L74 HydrophobicContact CE2-CD1 4.16Å; F29-L74 HydrophobicContact CZ-CD1 3.6Å
30T97.8Very high97.4Very high69 Ų6954.9 Ų54.942%0.42329%0.289SS..Hα-helixtrans-56.2-36.9166.6510000113.1P28 K34 P59P28-T30 WeakPolarHBondContact CB-OG1 3.25Å; P28-T30 PolarHBondContact O-N 2.82Å; T30-K34 WeakPolarHBondContact O-CB 3.3Å; T30-K34 PolarHBondContact O-N 3.35Å; T30-P59 HydrophobicContact CG2-CB 3.88Å; T30-P59 HydrophobicContact CG2-CG 4.17Å; T30-P59 WeakPolarHBondContact CG2-O 3.44Å; T30-P59 PolarHBondContact N-O 3.03Å
31A97.4Very high97.3Very high52 Ų5256.4 Ų56.443%0.4330%0.303SS..Hα-helixtrans-72.2-37176.500000111.5P28 F29 K34 F35P28-A31 WeakPolarHBondContact O-CB 3.2Å; P28-A31 PolarHBondContact O-N 3.49Å; F29-A31 VanDerWaalsContact C-N 3.25Å; F29-A31 PolarHBondContact O-N 2.95Å; A31-K34 PolarHBondContact O-N 3.04Å; A31-F35 VanDerWaalsContact O-CB 3.31Å; A31-F35 WeakPolarHBondContact O-CB 3.41Å; A31-F35 PolarHBondContact O-N 3.27Å
32V97.2Very high97.3Very high3 Ų357.5 Ų57.52%0.01831%0.31CS..Hα-helixtrans-62.9-46.9174.4-174.60000110.7F6 I8 L21 V23 P28 F29 K34 F35 A36 A63F6-V32 HydrophobicContact CD2-CG1 4.17Å; I8-V32 HydrophobicContact CD1-CG1 4.19Å; L21-V32 HydrophobicContact CD1-CG1 4.19Å; V23-V32 HydrophobicContact CB-CG2 4.39Å; V23-V32 HydrophobicContact CG1-CG2 4.17Å; V23-V32 HydrophobicContact CG2-CG2 4.03Å; P28-V32 PolarHBondContact O-N 3.42Å; F29-V32 HydrophobicContact CD2-CB 3.9Å; F29-V32 HydrophobicContact CD2-CG1 4.28Å; F29-V32 HydrophobicContact CD2-CG2 3.97Å; F29-V32 HydrophobicContact CE2-CB 4.04Å; F29-V32 HydrophobicContact CE2-CG1 3.91Å; F29-V32 HydrophobicContact CE2-CG2 4.41Å; F29-V32 HydrophobicContact CG-CB 4.48Å; F29-V32 HydrophobicContact CZ-CG1 4.5Å; F29-V32 WeakPolarHBondContact O-CB 3.44Å; F29-V32 PolarHBondContact O-N 2.81Å; F29-V32 VanDerWaalsContact O-N 3.16Å; V32-K34 PolarHBondContact O-N 2.9Å; V32-F35 PolarHBondContact O-N 2.89Å; V32-A36 WeakPolarHBondContact O-CB 3.36Å; V32-A36 PolarHBondContact O-N 3.46Å; V32-A63 HydrophobicContact CG2-CB 4.17Å
33L97.4Very high97.2Very high21 Ų2154.2 Ų54.211%0.1131%0.305CS..Hα-helixtrans-57.6-49.3175.217162.5000111.5F29 F35 A36 A37 I49 P59 L76F29-L33 PolarHBondContact O-N 2.88Å; L33-F35 PolarHBondContact O-N 3.39Å; L33-A36 PolarHBondContact O-N 3.41Å; L33-A37 WeakPolarHBondContact O-CB 3.24Å; L33-A37 PolarHBondContact O-N 3.01Å; L33-I49 HydrophobicContact CB-CD1 4.08Å; L33-I49 HydrophobicContact CD1-CD1 3.74Å; L33-I49 HydrophobicContact CD1-CG1 3.72Å; L33-P59 HydrophobicContact CD2-CB 4.32Å; L33-P59 HydrophobicContact CD2-CG 4.33Å; L33-L76 HydrophobicContact CD1-CD1 3.57Å
34K97.1Very high97.1Very high116 Ų11654.7 Ų54.750%0.50431%0.311SS..Hα-helixtrans-60.1-47.6179.5-179.2176.4173.3179.90111.4T30 A31 V32 A36 A37 E38 A44T30-K34 WeakPolarHBondContact O-CB 3.3Å; T30-K34 PolarHBondContact O-N 3.35Å; A31-K34 PolarHBondContact O-N 3.04Å; V32-K34 PolarHBondContact O-N 2.9Å; K34-A36 PolarHBondContact O-N 3.43Å; K34-A37 PolarHBondContact O-N 2.82Å; K34-E38 WeakPolarHBondContact CE-OE1 3.44Å; K34-E38 IonicContact NZ-OE1 2.66Å; K34-E38 WeakPolarHBondContact O-CG 3.31Å; K34-E38 PolarHBondContact O-N 3.09Å; K34-A44 HydrophobicContact CB-CB 4.36Å; K34-A44 HydrophobicContact CG-CB 4.14Å
35F97.3Very high96.9Very high95 Ų9556.4 Ų56.442%0.41733%0.329SS..Hα-helixtrans-62.1-43.7179.1-171.6-88.4000112L21 A31 V32 L33 A37 E38 E39L21-F35 HydrophobicContact CD1-CD1 3.86Å; L21-F35 HydrophobicContact CD2-CD1 3.7Å; L21-F35 HydrophobicContact CD2-CE1 3.57Å; L21-F35 HydrophobicContact CG-CD1 4.4Å; A31-F35 VanDerWaalsContact O-CB 3.31Å; A31-F35 WeakPolarHBondContact O-CB 3.41Å; A31-F35 PolarHBondContact O-N 3.27Å; V32-F35 PolarHBondContact O-N 2.89Å; L33-F35 PolarHBondContact O-N 3.39Å; F35-A37 VanDerWaalsContact C-N 3.34Å; F35-A37 PolarHBondContact O-N 2.89Å; F35-E38 PolarHBondContact O-N 2.84Å; F35-E39 HydrophobicContact CD1-CG 3.89Å; F35-E39 HydrophobicContact CE1-CG 3.48Å; F35-E39 VanDerWaalsContact CE1-CG 3.48Å; F35-E39 HydrophobicContact CZ-CG 4.06Å; F35-E39 WeakPolarHBondContact O-CG 3.26Å; F35-E39 PolarHBondContact O-N 2.81Å
36A97.5Very high96.7Very high0 Ų056.6 Ų56.60%034%0.335CS..Hα-helixtrans-60.8-44176.700000111.9I8 L21 V32 L33 K34 E39 F40I8-A36 HydrophobicContact CD1-CB 3.61Å; I8-A36 HydrophobicContact CG2-CB 4.27Å; L21-A36 HydrophobicContact CD1-CB 3.9Å; V32-A36 WeakPolarHBondContact O-CB 3.36Å; V32-A36 PolarHBondContact O-N 3.46Å; L33-A36 PolarHBondContact O-N 3.41Å; K34-A36 PolarHBondContact O-N 3.43Å; A36-E39 PolarHBondContact O-N 2.91Å; A36-F40 WeakPolarHBondContact O-CD2 3.28Å; A36-F40 PolarHBondContact O-N 3.02Å
37A97.3Very high96.6Very high0 Ų052.5 Ų52.50%031%0.314CS..Hα-helixtrans-62-44177.500000111.9L33 K34 F35 F40 S41 V42 A44 L76L33-A37 WeakPolarHBondContact O-CB 3.24Å; L33-A37 PolarHBondContact O-N 3.01Å; K34-A37 PolarHBondContact O-N 2.82Å; F35-A37 VanDerWaalsContact C-N 3.34Å; F35-A37 PolarHBondContact O-N 2.89Å; A37-F40 CarbonylContact O-C 3.55Å; A37-F40 PolarHBondContact O-N 3.3Å; A37-S41 PolarHBondContact O-N 2.96Å; A37-S41 VanDerWaalsContact O-N 3.14Å; A37-V42 CarbonylContact C-O 3.41Å; A37-V42 HydrophobicContact CB-CG2 3.95Å; A37-V42 WeakPolarHBondContact O-CG2 3.29Å; A37-V42 PolarHBondContact O-N 3.16Å; A37-V42 VanDerWaalsContact O-O 3.13Å; A37-A44 HydrophobicContact CB-CB 3.84Å; A37-L76 HydrophobicContact CB-CD2 4.4Å
38E96.9Very high96.6Very high111 Ų11152.3 Ų52.352%0.51931%0.312SS..Hα-helixtrans-62-43.1175.9-71.9170.5177.800112.2K34 F35 F40 S41K34-E38 WeakPolarHBondContact CE-OE1 3.44Å; K34-E38 IonicContact NZ-OE1 2.66Å; K34-E38 WeakPolarHBondContact O-CG 3.31Å; K34-E38 PolarHBondContact O-N 3.09Å; F35-E38 PolarHBondContact O-N 2.84Å; E38-F40 PolarHBondContact O-N 3.35Å; E38-S41 PolarHBondContact O-N 3.25Å
39E96.6Very high96.5Very high79 Ų7949 Ų4937%0.36929%0.29SS..Hα-helixtrans-61-30.4176.7-82.5-69.3134.600113.8K19 F35 A36K19-E39 HydrophobicContact CG-CB 4.45Å; K19-E39 IonicContact NZ-OE2 3.95Å; K19-E39 PolarHBondContact NZ-OE2 2.92Å; F35-E39 HydrophobicContact CD1-CG 3.89Å; F35-E39 HydrophobicContact CE1-CG 3.48Å; F35-E39 VanDerWaalsContact CE1-CG 3.48Å; F35-E39 HydrophobicContact CZ-CG 4.06Å; F35-E39 WeakPolarHBondContact O-CG 3.26Å; F35-E39 PolarHBondContact O-N 2.81Å; A36-E39 PolarHBondContact O-N 2.91Å
40F97.2Very high96.5Very high27 Ų2750.1 Ų50.112%0.11830%0.297CS..THydrogen-bonded Turntrans-92.54.3174.9-73.1-60.3000113.2I8 L10 P17 K19 A36 A37 E38 V42 L76I8-F40 HydrophobicContact CG2-CE2 4.26Å; I8-F40 WeakPolarHBondContact O-CZ 3.44Å; L10-F40 HydrophobicContact CB-CD1 3.87Å; L10-F40 HydrophobicContact CB-CD2 4.17Å; L10-F40 HydrophobicContact CB-CE1 3.91Å; L10-F40 HydrophobicContact CB-CE2 4.21Å; L10-F40 HydrophobicContact CB-CG 4.01Å; L10-F40 HydrophobicContact CB-CZ 4.08Å; L10-F40 HydrophobicContact CD1-CB 4.39Å; L10-F40 HydrophobicContact CD1-CG 4.43Å; L10-F40 HydrophobicContact CD2-CB 4.09Å; L10-F40 HydrophobicContact CD2-CD1 4.05Å; L10-F40 HydrophobicContact CD2-CG 4.15Å; L10-F40 HydrophobicContact CG-CG 4.44Å; P17-F40 HydrophobicContact CB-CE1 4.14Å; P17-F40 HydrophobicContact CG-CD1 4.44Å; P17-F40 HydrophobicContact CG-CE1 4.09Å; K19-F40 HydrophobicContact CB-CE2 4.34Å; K19-F40 HydrophobicContact CB-CZ 3.98Å; K19-F40 HydrophobicContact CG-CD1 4.49Å; K19-F40 HydrophobicContact CG-CE1 3.76Å; K19-F40 HydrophobicContact CG-CE2 4.08Å; K19-F40 HydrophobicContact CG-CZ 3.52Å; A36-F40 WeakPolarHBondContact O-CD2 3.28Å; A36-F40 PolarHBondContact O-N 3.02Å; A37-F40 CarbonylContact O-C 3.55Å; A37-F40 PolarHBondContact O-N 3.3Å; E38-F40 PolarHBondContact O-N 3.35Å; F40-V42 HydrophobicContact CB-CG1 4.49Å; F40-V42 HydrophobicContact CB-CG2 4.14Å; F40-V42 PolarHBondContact O-N 3.46Å; F40-L76 HydrophobicContact CD2-CD2 3.75Å
41S96.2Very high96.4Very high115 Ų11547.2 Ų47.280%0.80428%0.278SS*.THydrogen-bonded Turntrans55.135.7-175.4-52.60000113.7A37 E38A37-S41 PolarHBondContact O-N 2.96Å; A37-S41 VanDerWaalsContact O-N 3.14Å; E38-S41 PolarHBondContact O-N 3.25Å
42V96.3Very high96.2Very high36 Ų3648.3 Ų48.322%0.21828%0.277CS..  trans-114.2152.2176.7-61.30000111.6L10 A37 F40 A44 L76L10-V42 HydrophobicContact CD1-CG1 4.39Å; L10-V42 HydrophobicContact CD1-CG2 4.47Å; A37-V42 CarbonylContact C-O 3.41Å; A37-V42 HydrophobicContact CB-CG2 3.95Å; A37-V42 WeakPolarHBondContact O-CG2 3.29Å; A37-V42 PolarHBondContact O-N 3.16Å; A37-V42 VanDerWaalsContact O-O 3.13Å; F40-V42 HydrophobicContact CB-CG1 4.49Å; F40-V42 HydrophobicContact CB-CG2 4.14Å; F40-V42 PolarHBondContact O-N 3.46Å; V42-A44 PolarHBondContact O-N 2.9Å; V42-L76 HydrophobicContact CG2-CD2 3.77Å
43P95.9Very high95.9Very high87 Ų8755.2 Ų55.257%0.56531%0.314SS*.  trans-70.3122.7-178.4-16.229.9000112.2A45 T46 S47P43-A45 VanDerWaalsContact C-N 3.31Å; P43-A45 PolarHBondContact O-N 2.66Å; P43-T46 PolarHBondContact O-N 3.37Å; P43-T46 PolarHBondContact O-OG1 3.36Å; P43-S47 PolarHBondContact O-N 2.92Å; P43-S47 PolarHBondContact O-OG 3.38Å
44A95.5Very high95.7Very high32 Ų3256.5 Ų56.526%0.26433%0.332SS..G310 helixtrans-62.1-35.4179.300000113.3K34 A37 V42 T46 S47K34-A44 HydrophobicContact CB-CB 4.36Å; K34-A44 HydrophobicContact CG-CB 4.14Å; A37-A44 HydrophobicContact CB-CB 3.84Å; V42-A44 PolarHBondContact O-N 2.9Å; A44-T46 PolarHBondContact O-N 2.91Å; A44-S47 PolarHBondContact O-N 2.82Å; A44-S47 VanDerWaalsContact O-N 3.07Å
45A92.9Very high95.5Very high81 Ų8155.5 Ų55.567%0.66933%0.332SS*.G310 helixtrans-62.1-30.1-177.300000113.3P43 R79P43-A45 VanDerWaalsContact C-N 3.31Å; P43-A45 PolarHBondContact O-N 2.66Å; A45-R79 VanDerWaalsContact O-CD 3.28Å; A45-R79 WeakPolarHBondContact O-CD 3.11Å
46T93.4Very high95.4Very high78 Ų7853.2 Ų53.248%0.47933%0.334SS..G310 helixtrans-106.515.7178.859.40000112P43 A44 P78 R79P43-T46 PolarHBondContact O-N 3.37Å; P43-T46 PolarHBondContact O-OG1 3.36Å; A44-T46 PolarHBondContact O-N 2.91Å; T46-P78 CarbonylContact O-C 3.57Å; T46-P78 WeakPolarHBondContact O-CA 3.34Å; T46-R79 PolarHBondContact O-N 3.31Å
47S96Very high95.3Very high8 Ų853.9 Ų53.96%0.05634%0.338CS..EExtended strand (participates in β ladder)trans-109.3149.8177.4-62.10000111.7P43 A44 I77 R79P43-S47 PolarHBondContact O-N 2.92Å; P43-S47 PolarHBondContact O-OG 3.38Å; A44-S47 PolarHBondContact O-N 2.82Å; A44-S47 VanDerWaalsContact O-N 3.07Å; S47-I77 CarbonylContact C-O 3.58Å; S47-I77 WeakPolarHBondContact CA-O 2.9Å; S47-R79 WeakPolarHBondContact O-CG 3.47Å
48A96.7Very high95.1Very high14 Ų1458.3 Ų58.312%0.11636%0.362CS..EExtended strand (participates in β ladder)trans-138.7161.4172.600000110.3L76 I77 R79 V82A48-L76 WeakPolarHBondContact O-CA 3.44Å; A48-I77 HydrophobicContact CB-CG1 4.07Å; A48-I77 PolarHBondContact N-O 2.89Å; A48-I77 PolarHBondContact O-N 2.87Å; A48-R79 HydrophobicContact CB-CG 3.91Å; A48-V82 HydrophobicContact CB-CG2 3.46Å; A48-V82 VanDerWaalsContact CB-CG2 3.46Å
49I97.1Very high95Very high4 Ų454.6 Ų54.62%0.02135%0.347CS..EExtended strand (participates in β ladder)trans-113.3136.2174.7-78.9167.1000109.7I8 F29 L33 I57 L74 R75 L76I8-I49 HydrophobicContact CD1-CD1 4.01Å; F29-I49 HydrophobicContact CE1-CB 4.23Å; F29-I49 HydrophobicContact CE1-CD1 3.9Å; F29-I49 HydrophobicContact CE1-CG2 4.02Å; F29-I49 HydrophobicContact CZ-CD1 3.91Å; F29-I49 HydrophobicContact CZ-CG2 4.13Å; L33-I49 HydrophobicContact CB-CD1 4.08Å; L33-I49 HydrophobicContact CD1-CD1 3.74Å; L33-I49 HydrophobicContact CD1-CG1 3.72Å; I49-I57 HydrophobicContact CG2-CB 4.48Å; I49-I57 HydrophobicContact CG2-CD1 3.91Å; I49-I57 PolarHBondContact O-N 3.5Å; I49-I57 VanDerWaalsContact O-N 3.09Å; I49-L74 HydrophobicContact CG2-CB 3.93Å; I49-L74 HydrophobicContact CG2-CD1 3.92Å; I49-L74 HydrophobicContact CG2-CD2 4.43Å; I49-L74 HydrophobicContact CG2-CG 4.33Å; I49-R75 CarbonylContact C-O 3.53Å; I49-R75 VanDerWaalsContact CA-O 3.27Å; I49-R75 WeakPolarHBondContact CA-O 3.4Å; I49-L76 HydrophobicContact CD1-CD1 4.43Å; I49-L76 HydrophobicContact CG1-CD1 3.83Å
50I96.5Very high95Very high25 Ų2558.6 Ų58.613%0.12837%0.366CS..EExtended strand (participates in β ladder)trans-125.7163.6172.869.2179.8000109.8I55 R75 I77I50-I55 CarbonylContact C-O 3.6Å; I50-I55 VanDerWaalsContact CA-O 3.24Å; I50-I55 WeakPolarHBondContact CA-O 3.49Å; I50-I55 WeakPolarHBondContact CB-O 3.36Å; I50-R75 HydrophobicContact CD1-CB 4.32Å; I50-R75 HydrophobicContact CG1-CB 3.65Å; I50-R75 PolarHBondContact N-O 3.2Å; I50-R75 PolarHBondContact O-N 2.89Å; I50-I77 HydrophobicContact CD1-CD1 4.18Å; I50-I77 HydrophobicContact CD1-CG2 3.62Å; I50-I77 HydrophobicContact CG1-CG2 3.96Å; I50-I77 HydrophobicContact CG2-CD1 3.49Å; I50-I77 VanDerWaalsContact CG2-CD1 3.49Å; I50-I77 HydrophobicContact CG2-CG1 4.03Å
51T96.1Very high95Very high7 Ų759 Ų594%0.04337%0.368CS..EExtended strand (participates in β ladder)trans-76.8168.6167.960.40000111.6D53 G54 I55 I57 H70 L74T51-D53 PolarHBondContact O-N 3Å; T51-G54 PolarHBondContact O-N 3.5Å; T51-I55 HydrophobicContact CG2-CB 4.29Å; T51-I55 PolarHBondContact N-O 2.9Å; T51-I55 VanDerWaalsContact OG1-CB 3.3Å; T51-I55 WeakPolarHBondContact OG1-CB 3.47Å; T51-I55 PolarHBondContact OG1-N 2.91Å; T51-I55 PolarHBondContact OG1-O 3.49Å; T51-I57 HydrophobicContact CG2-CD1 3.83Å; T51-I57 HydrophobicContact CG2-CG1 4.25Å; T51-H70 HydrophobicContact CG2-CB 3.76Å; T51-L74 HydrophobicContact CG2-CD2 4.38Å
52D92.9Very high95.1Very high75 Ų7555.9 Ų55.940%0.40134%0.344SS..THydrogen-bonded Turntrans-57.1-32.1172.6-86.2-20.6000113.3G54 R75D52-G54 PolarHBondContact O-N 3.37Å; D52-R75 IonicContact OD1-CZ 3.53Å; D52-R75 VanDerWaalsContact OD1-CZ 3.22Å; D52-R75 IonicContact OD1-NE 2.9Å; D52-R75 PolarHBondContact OD1-NE 3.46Å; D52-R75 IonicContact OD1-NH2 3.22Å; D52-R75 PolarHBondContact OD1-NH2 3.03Å
53D91.8Very high95.2Very high148 Ų14854.1 Ų54.179%0.79133%0.334SS*.THydrogen-bonded Turntrans-82.85.8178-59-39.6000113.5T51T51-D53 PolarHBondContact O-N 3Å
54G91.9Very high95.3Very high48 Ų4850.6 Ų50.650%0.49531%0.313SS..  trans84.26.8176.400000115.4T51 D52 G56T51-G54 PolarHBondContact O-N 3.5Å; D52-G54 PolarHBondContact O-N 3.37Å; G54-G56 PolarHBondContact O-N 3.39Å
55I94.3Very high95.4Very high96 Ų9653.2 Ų53.249%0.49232%0.32SS..  trans-73.7125.4177.1-54.5171.6000109.8I50 T51I50-I55 CarbonylContact C-O 3.6Å; I50-I55 VanDerWaalsContact CA-O 3.24Å; I50-I55 WeakPolarHBondContact CA-O 3.49Å; I50-I55 WeakPolarHBondContact CB-O 3.36Å; T51-I55 HydrophobicContact CG2-CB 4.29Å; T51-I55 PolarHBondContact N-O 2.9Å; T51-I55 VanDerWaalsContact OG1-CB 3.3Å; T51-I55 WeakPolarHBondContact OG1-CB 3.47Å; T51-I55 PolarHBondContact OG1-N 2.91Å; T51-I55 PolarHBondContact OG1-O 3.49Å
56G93.7Very high95.6Very high46 Ų4649.3 Ų49.347%0.47429%0.288SS..BIsolated β-bridgetrans-69.9135.2175.600000113.3G54G54-G56 PolarHBondContact O-N 3.39Å
57I95.8Very high95.8Very high15 Ų1549 Ų498%0.07728%0.28CS..  trans-104.2120.3178.5-66.6166.5000109.6F29 I49 T51 P59 V66 H70 L74F29-I57 HydrophobicContact CD1-CG2 4.15Å; F29-I57 HydrophobicContact CE1-CG2 3.93Å; I49-I57 HydrophobicContact CG2-CB 4.48Å; I49-I57 HydrophobicContact CG2-CD1 3.91Å; I49-I57 PolarHBondContact O-N 3.5Å; I49-I57 VanDerWaalsContact O-N 3.09Å; T51-I57 HydrophobicContact CG2-CD1 3.83Å; T51-I57 HydrophobicContact CG2-CG1 4.25Å; I57-P59 WeakPolarHBondContact O-CD 3.36Å; I57-V66 HydrophobicContact CD1-CG1 4.11Å; I57-V66 HydrophobicContact CG2-CG1 4.18Å; I57-V66 HydrophobicContact CG2-CG2 4Å; I57-H70 HydrophobicContact CD1-CB 4.07Å; I57-L74 HydrophobicContact CD1-CD1 4.43Å; I57-L74 HydrophobicContact CD1-CD2 3.51Å
58N94.1Very high95.8Very high92 Ų9255.8 Ų55.849%0.49232%0.315SS..  trans-70.1119.8167-179.40.5000109.1Q60 Q61N58-Q60 PolarHBondContact O-N 3.42Å; N58-Q60 WeakPolarHBondContact OD1-CB 3.35Å; N58-Q60 PolarHBondContact OD1-N 2.92Å; N58-Q60 VanDerWaalsContact OD1-N 3.08Å; N58-Q61 PolarHBondContact O-NE2 3.48Å
59P94.4Very high95.8Very high34 Ų3461.3 Ų61.322%0.22134%0.336CS..SBendtrans-77.7-4.5-176.433.3-37.7000114.1F29 T30 L33 I57 Q61F29-P59 HydrophobicContact CD1-CB 4.12Å; T30-P59 HydrophobicContact CG2-CB 3.88Å; T30-P59 HydrophobicContact CG2-CG 4.17Å; T30-P59 WeakPolarHBondContact CG2-O 3.44Å; T30-P59 PolarHBondContact N-O 3.03Å; L33-P59 HydrophobicContact CD2-CB 4.32Å; L33-P59 HydrophobicContact CD2-CG 4.33Å; I57-P59 WeakPolarHBondContact O-CD 3.36Å; P59-Q61 PolarHBondContact O-N 3.19Å
60Q95.9Very high95.8Very high162 Ų16263.9 Ų63.976%0.75735%0.348SS*.SBendtrans-77.654.7177.7-63.2-174.272.400112.6N58N58-Q60 PolarHBondContact O-N 3.42Å; N58-Q60 WeakPolarHBondContact OD1-CB 3.35Å; N58-Q60 PolarHBondContact OD1-N 2.92Å; N58-Q60 VanDerWaalsContact OD1-N 3.08Å
61Q97.4Very high95.8Very high36 Ų3664 Ų6417%0.16836%0.356CS..SBendtrans-155.3175.3174.967.8-169.5-53.200109.2F29 N58 P59 E65 V66F29-Q61 VanDerWaalsContact CB-O 3.29Å; F29-Q61 WeakPolarHBondContact CB-O 3.21Å; F29-Q61 PolarHBondContact N-O 3.1Å; N58-Q61 PolarHBondContact O-NE2 3.48Å; P59-Q61 PolarHBondContact O-N 3.19Å; Q61-E65 HydrophobicContact CB-CB 4.5Å; Q61-E65 WeakPolarHBondContact CB-OE2 3.47Å; Q61-E65 HydrophobicContact CG-CB 4.47Å; Q61-V66 HydrophobicContact CG-CG2 3.54Å
62T98.2Very high95.9Very high49 Ų4965.7 Ų65.730%0.30137%0.368SS..BIsolated β-bridgetrans-78.8158.1178.462.90000112.1A27 G64 E65 V66A27-T62 CarbonylContact O-C 3.57Å; T62-G64 VanDerWaalsContact C-N 3.29Å; T62-G64 PolarHBondContact O-N 3.08Å; T62-E65 PolarHBondContact N-OE2 3.34Å; T62-E65 PolarHBondContact O-N 3.25Å; T62-E65 VanDerWaalsContact OG1-CD 3.29Å; T62-E65 VanDerWaalsContact OG1-CG 3.23Å; T62-E65 WeakPolarHBondContact OG1-CG 3.35Å; T62-E65 PolarHBondContact OG1-N 2.79Å; T62-E65 PolarHBondContact OG1-OE2 3.24Å; T62-V66 PolarHBondContact O-N 3.36Å; T62-V66 VanDerWaalsContact O-N 3.14Å
63A98.2Very high96.2Very high0 Ų064.9 Ų64.90%036%0.363CS..Hα-helixtrans-59.6-40.4174.700000111.7I4 F6 V23 E25 A27 F29 V32 E65 V66 F67I4-A63 HydrophobicContact CD1-CB 3.8Å; I4-A63 WeakPolarHBondContact CD1-O 3.49Å; F6-A63 HydrophobicContact CE2-CB 4.08Å; F6-A63 WeakPolarHBondContact CZ-O 3.46Å; V23-A63 HydrophobicContact CG2-CB 3.94Å; E25-A63 PolarHBondContact O-N 3.44Å; A27-A63 HydrophobicContact CB-CB 4.36Å; A27-A63 WeakPolarHBondContact O-CB 3.27Å; A27-A63 PolarHBondContact O-N 2.91Å; F29-A63 HydrophobicContact CD2-CB 4.36Å; V32-A63 HydrophobicContact CG2-CB 4.17Å; A63-E65 PolarHBondContact O-N 2.92Å; A63-V66 PolarHBondContact O-N 3.3Å; A63-F67 WeakPolarHBondContact O-CB 3.36Å; A63-F67 PolarHBondContact O-N 3.34Å
64G98Very high96.5Very high12 Ų1257.9 Ų57.912%0.12433%0.326CS..Hα-helixtrans-59.6-44.3175.300000112.9E25 T62 F67 L68E25-G64 PolarHBondContact O-N 2.8Å; T62-G64 VanDerWaalsContact C-N 3.29Å; T62-G64 PolarHBondContact O-N 3.08Å; G64-F67 PolarHBondContact O-N 2.71Å; G64-L68 WeakPolarHBondContact O-CG 3.43Å; G64-L68 PolarHBondContact O-N 3.46Å
65E97.8Very high96.8Very high87 Ų8759.6 Ų59.641%0.40732%0.317SS..Hα-helixtrans-64.4-40.9177.3-72.5165.5135.200112.3Q61 T62 A63 L68 K69Q61-E65 HydrophobicContact CB-CB 4.5Å; Q61-E65 WeakPolarHBondContact CB-OE2 3.47Å; Q61-E65 HydrophobicContact CG-CB 4.47Å; T62-E65 PolarHBondContact N-OE2 3.34Å; T62-E65 PolarHBondContact O-N 3.25Å; T62-E65 VanDerWaalsContact OG1-CD 3.29Å; T62-E65 VanDerWaalsContact OG1-CG 3.23Å; T62-E65 WeakPolarHBondContact OG1-CG 3.35Å; T62-E65 PolarHBondContact OG1-N 2.79Å; T62-E65 PolarHBondContact OG1-OE2 3.24Å; A63-E65 PolarHBondContact O-N 2.92Å; E65-L68 PolarHBondContact O-N 3.07Å; E65-K69 WeakPolarHBondContact O-CB 3.31Å; E65-K69 VanDerWaalsContact O-CG 3.27Å; E65-K69 WeakPolarHBondContact O-CG 3.31Å; E65-K69 PolarHBondContact O-N 3.18Å; E65-K69 VanDerWaalsContact O-N 3.08Å
66V97.9Very high96.9Very high0 Ų055 Ų550%029%0.294CS..Hα-helixtrans-62.1-47.3174.6175.20000110.5F6 F29 I57 Q61 T62 A63 L68 K69 H70 L74F6-V66 HydrophobicContact CE1-CG1 4.17Å; F6-V66 HydrophobicContact CZ-CB 4.38Å; F6-V66 HydrophobicContact CZ-CG1 4.33Å; F29-V66 HydrophobicContact CB-CG2 3.98Å; F29-V66 HydrophobicContact CD1-CG2 3.83Å; F29-V66 HydrophobicContact CD2-CB 3.94Å; F29-V66 HydrophobicContact CD2-CG1 4.16Å; F29-V66 HydrophobicContact CD2-CG2 3.73Å; F29-V66 HydrophobicContact CE1-CG1 4.17Å; F29-V66 HydrophobicContact CE1-CG2 4.24Å; F29-V66 HydrophobicContact CE2-CB 4.02Å; F29-V66 HydrophobicContact CE2-CG1 3.74Å; F29-V66 HydrophobicContact CE2-CG2 4.16Å; F29-V66 HydrophobicContact CG-CB 4.28Å; F29-V66 HydrophobicContact CG-CG2 3.55Å; F29-V66 HydrophobicContact CZ-CB 4.42Å; F29-V66 HydrophobicContact CZ-CG1 3.75Å; F29-V66 HydrophobicContact CZ-CG2 4.4Å; I57-V66 HydrophobicContact CD1-CG1 4.11Å; I57-V66 HydrophobicContact CG2-CG1 4.18Å; I57-V66 HydrophobicContact CG2-CG2 4Å; Q61-V66 HydrophobicContact CG-CG2 3.54Å; T62-V66 PolarHBondContact O-N 3.36Å; T62-V66 VanDerWaalsContact O-N 3.14Å; A63-V66 PolarHBondContact O-N 3.3Å; V66-L68 VanDerWaalsContact C-N 3.33Å; V66-L68 PolarHBondContact O-N 3.3Å; V66-K69 PolarHBondContact O-N 3.37Å; V66-H70 HydrophobicContact CG1-CB 4.45Å; V66-H70 WeakPolarHBondContact O-CB 3.47Å; V66-H70 PolarHBondContact O-N 2.79Å; V66-L74 HydrophobicContact CG1-CD1 4.21Å
67F97.2Very high97Very high72 Ų7253.2 Ų53.232%0.31627%0.273SS..Hα-helixtrans-59.6-43.7-179.4-175.4-90.3000112I4 F6 A63 G64 G71I4-F67 HydrophobicContact CB-CD2 4.11Å; I4-F67 HydrophobicContact CB-CE2 4.45Å; I4-F67 HydrophobicContact CB-CG 4.3Å; I4-F67 HydrophobicContact CD1-CB 3.66Å; I4-F67 HydrophobicContact CD1-CD2 4.37Å; I4-F67 HydrophobicContact CD1-CG 4.16Å; I4-F67 HydrophobicContact CG2-CD1 4.19Å; I4-F67 HydrophobicContact CG2-CD2 4.33Å; I4-F67 HydrophobicContact CG2-CE1 4.47Å; I4-F67 HydrophobicContact CG2-CG 4.12Å; F6-F67 HydrophobicContact CD1-CD2 4.47Å; F6-F67 HydrophobicContact CE1-CB 3.97Å; F6-F67 AromaticContact CE1-CD2 3.98Å; F6-F67 HydrophobicContact CE1-CD2 3.98Å; F6-F67 HydrophobicContact CE1-CG 4.5Å; F6-F67 HydrophobicContact CZ-CB 3.85Å; F6-F67 HydrophobicContact CZ-CD2 4.35Å; A63-F67 WeakPolarHBondContact O-CB 3.36Å; A63-F67 PolarHBondContact O-N 3.34Å; G64-F67 PolarHBondContact O-N 2.71Å; F67-G71 VanDerWaalsContact O-CA 3.23Å; F67-G71 WeakPolarHBondContact O-CA 3.34Å; F67-G71 PolarHBondContact O-N 2.95Å
68L96.9Very high96.9Very high150 Ų15054.2 Ų54.279%0.78528%0.281SS*.Hα-helixtrans-67.3-35.6178.5-72170.6000113G64 E65 V66G64-L68 WeakPolarHBondContact O-CG 3.43Å; G64-L68 PolarHBondContact O-N 3.46Å; E65-L68 PolarHBondContact O-N 3.07Å; V66-L68 VanDerWaalsContact C-N 3.33Å; V66-L68 PolarHBondContact O-N 3.3Å
69K96.9Very high96.4Very high129 Ų12957.2 Ų57.256%0.56129%0.285SS*.Hα-helixtrans-82.5-34.5-178.5-70.9172.7-172.4168.80113.7E65 V66E65-K69 WeakPolarHBondContact O-CB 3.31Å; E65-K69 VanDerWaalsContact O-CG 3.27Å; E65-K69 WeakPolarHBondContact O-CG 3.31Å; E65-K69 PolarHBondContact O-N 3.18Å; E65-K69 VanDerWaalsContact O-N 3.08Å; V66-K69 PolarHBondContact O-N 3.37Å
70H97Very high95.5Very high58 Ų5861.9 Ų61.927%0.26931%0.308SS..Hα-helixtrans-127.5-10.2-164.2-57.8-61.9000113.9T51 I57 V66 L74T51-H70 HydrophobicContact CG2-CB 3.76Å; I57-H70 HydrophobicContact CD1-CB 4.07Å; V66-H70 HydrophobicContact CG1-CB 4.45Å; V66-H70 WeakPolarHBondContact O-CB 3.47Å; V66-H70 PolarHBondContact O-N 2.79Å; H70-L74 HydrophobicContact CB-CD2 4.39Å
71G96.6Very high94Very high29 Ų2960.9 Ų60.930%0.29930%0.298SS..  trans81.3-165-177.100000114.1F6 F67F6-G71 WeakPolarHBondContact CE1-O 3.41Å; F67-G71 VanDerWaalsContact O-CA 3.23Å; F67-G71 WeakPolarHBondContact O-CA 3.34Å; F67-G71 PolarHBondContact O-N 2.95Å
72S97.6Very high92.1Very high42 Ų4262.1 Ų62.129%0.29431%0.307SS..SBendtrans-90-28.9-174.846.20000114.7S5 F6 K7S5-S72 WeakPolarHBondContact O-CB 3.37Å; F6-S72 CarbonylContact C-O 3.56Å; F6-S72 VanDerWaalsContact CA-O 3.31Å; F6-S72 WeakPolarHBondContact CA-O 3.15Å; K7-S72 PolarHBondContact N-O 3.32Å
73D98.1Very high90.1Very high58 Ų5862.8 Ų62.831%0.3132%0.324SS..EExtended strand (participates in β ladder)trans-93.3111.3-169.6-70.2-97.5000110.1K7K7-D73 WeakPolarHBondContact CD-OD1 3.2Å; K7-D73 IonicContact NZ-OD1 2.79Å
74L98.1Very high87.4Confident1 Ų166.6 Ų66.61%0.00536%0.363CS..EExtended strand (participates in β ladder)trans-130.9161.6-172-59.5-179000110.3F6 K7 I8 T9 F29 I49 T51 I57 V66 H70F6-L74 HydrophobicContact CD1-CD1 3.5Å; F6-L74 VanDerWaalsContact CD1-CD1 3.5Å; F6-L74 HydrophobicContact CD1-CG 4.17Å; F6-L74 HydrophobicContact CE1-CD1 3.83Å; F6-L74 HydrophobicContact CG-CD1 4.22Å; K7-L74 PolarHBondContact O-N 3.02Å; I8-L74 WeakPolarHBondContact CA-O 3.28Å; I8-L74 HydrophobicContact CG1-CB 4.34Å; T9-L74 PolarHBondContact N-O 2.82Å; F29-L74 HydrophobicContact CE2-CD1 4.16Å; F29-L74 HydrophobicContact CZ-CD1 3.6Å; I49-L74 HydrophobicContact CG2-CB 3.93Å; I49-L74 HydrophobicContact CG2-CD1 3.92Å; I49-L74 HydrophobicContact CG2-CD2 4.43Å; I49-L74 HydrophobicContact CG2-CG 4.33Å; T51-L74 HydrophobicContact CG2-CD2 4.38Å; I57-L74 HydrophobicContact CD1-CD1 4.43Å; I57-L74 HydrophobicContact CD1-CD2 3.51Å; V66-L74 HydrophobicContact CG1-CD1 4.21Å; H70-L74 HydrophobicContact CB-CD2 4.39Å
75R97.9Very high84.8Confident83 Ų8378 Ų7831%0.31342%0.42SS..EExtended strand (participates in β ladder)trans-124.7128-178.7-69.8179.6-172.6-129.9-2.2110.3T9 T11 I49 I50 D52T9-R75 CarbonylContact O-C 3.5Å; T9-R75 WeakPolarHBondContact O-CA 3.45Å; T11-R75 HydrophobicContact CG2-CB 3.67Å; T11-R75 HydrophobicContact CG2-CG 3.79Å; I49-R75 CarbonylContact C-O 3.53Å; I49-R75 VanDerWaalsContact CA-O 3.27Å; I49-R75 WeakPolarHBondContact CA-O 3.4Å; I50-R75 HydrophobicContact CD1-CB 4.32Å; I50-R75 HydrophobicContact CG1-CB 3.65Å; I50-R75 PolarHBondContact N-O 3.2Å; I50-R75 PolarHBondContact O-N 2.89Å; D52-R75 IonicContact OD1-CZ 3.53Å; D52-R75 VanDerWaalsContact OD1-CZ 3.22Å; D52-R75 IonicContact OD1-NE 2.9Å; D52-R75 PolarHBondContact OD1-NE 3.46Å; D52-R75 IonicContact OD1-NH2 3.22Å; D52-R75 PolarHBondContact OD1-NH2 3.03Å
76L97.7Very high84.1Confident1 Ų177.5 Ų77.51%0.00542%0.421CS..EExtended strand (participates in β ladder)trans-87.6124.5169.6-169.572.3000108.7I8 T9 L10 T11 L33 A37 F40 V42 A48 I49I8-L76 HydrophobicContact CG2-CB 3.76Å; T9-L76 PolarHBondContact O-N 2.83Å; L10-L76 HydrophobicContact CD1-CB 4.35Å; L10-L76 HydrophobicContact CD1-CD2 3.92Å; L10-L76 HydrophobicContact CD1-CG 4.31Å; T11-L76 PolarHBondContact N-O 3.28Å; T11-L76 VanDerWaalsContact N-O 3.08Å; T11-L76 PolarHBondContact OG1-O 3.29Å; L33-L76 HydrophobicContact CD1-CD1 3.57Å; A37-L76 HydrophobicContact CB-CD2 4.4Å; F40-L76 HydrophobicContact CD2-CD2 3.75Å; V42-L76 HydrophobicContact CG2-CD2 3.77Å; A48-L76 WeakPolarHBondContact O-CA 3.44Å; I49-L76 HydrophobicContact CD1-CD1 4.43Å; I49-L76 HydrophobicContact CG1-CD1 3.83Å
77I96Very high83.4Confident7 Ų781.6 Ų81.64%0.03644%0.443CS..EExtended strand (participates in β ladder)trans-127.7155.4179.966.8164.1000110.1T11 S47 A48 I50 R81 V82T11-I77 HydrophobicContact CG2-CG2 4.3Å; T11-I77 VanDerWaalsContact OG1-CG2 3.31Å; T11-I77 WeakPolarHBondContact OG1-CG2 3.31Å; S47-I77 CarbonylContact C-O 3.58Å; S47-I77 WeakPolarHBondContact CA-O 2.9Å; A48-I77 HydrophobicContact CB-CG1 4.07Å; A48-I77 PolarHBondContact N-O 2.89Å; A48-I77 PolarHBondContact O-N 2.87Å; I50-I77 HydrophobicContact CD1-CD1 4.18Å; I50-I77 HydrophobicContact CD1-CG2 3.62Å; I50-I77 HydrophobicContact CG1-CG2 3.96Å; I50-I77 HydrophobicContact CG2-CD1 3.49Å; I50-I77 VanDerWaalsContact CG2-CD1 3.49Å; I50-I77 HydrophobicContact CG2-CG1 4.03Å; I77-R81 HydrophobicContact CD1-CB 3.89Å; I77-V82 HydrophobicContact CD1-CG2 3.46Å; I77-V82 VanDerWaalsContact CD1-CG2 3.46Å; I77-V82 HydrophobicContact CG1-CG2 4.21Å
78P93.1Very high82.6Confident36 Ų3682.1 Ų82.123%0.23445%0.45CS..EExtended strand (participates in β ladder)trans-69.6143.8164.129-31.5000110.6T46 D80 R81T46-P78 CarbonylContact O-C 3.57Å; T46-P78 WeakPolarHBondContact O-CA 3.34Å; P78-D80 WeakPolarHBondContact CB-OD1 3.29Å; P78-D80 WeakPolarHBondContact CG-OD1 3.39Å; P78-D80 PolarHBondContact O-N 3.31Å; P78-R81 HydrophobicContact CG-CG 4.37Å; P78-R81 PolarHBondContact O-N 2.9Å; P78-R81 VanDerWaalsContact O-N 3.1Å
79R83.1Confident81.8Confident156 Ų15678.1 Ų78.159%0.58943%0.43SS*.G310 helixtrans-63.8-24.2-170.8-81.4-174.593.91716.7114A45 T46 S47 A48 R81 V82A45-R79 VanDerWaalsContact O-CD 3.28Å; A45-R79 WeakPolarHBondContact O-CD 3.11Å; T46-R79 PolarHBondContact O-N 3.31Å; S47-R79 WeakPolarHBondContact O-CG 3.47Å; A48-R79 HydrophobicContact CB-CG 3.91Å; R79-R81 PolarHBondContact O-N 3.14Å; R79-V82 WeakPolarHBondContact O-CB 3.41Å; R79-V82 PolarHBondContact O-N 2.94Å
80D76.5Confident80.8Confident132 Ų13274.9 Ų74.971%0.70642%0.422SS*.G310 helixtrans-58.7-22.8173.662.3-35.8000112.7P78P78-D80 WeakPolarHBondContact CB-OD1 3.29Å; P78-D80 WeakPolarHBondContact CG-OD1 3.39Å; P78-D80 PolarHBondContact O-N 3.31Å
81R62.8Low79.8Confident141 Ų14176.1 Ų76.153%0.53243%0.432SS..G310 helixtrans-85.9-7.8172.8-54.1-167.5-157.4-176.66.5114.3I77 P78 R79 G83I77-R81 HydrophobicContact CD1-CB 3.89Å; P78-R81 HydrophobicContact CG-CG 4.37Å; P78-R81 PolarHBondContact O-N 2.9Å; P78-R81 VanDerWaalsContact O-N 3.1Å; R79-R81 PolarHBondContact O-N 3.14Å; R81-G83 PolarHBondContact O-N 3.27Å
82V59.5Low78.6Confident61 Ų6179.4 Ų79.437%0.3744%0.442SS..SBendtrans-89.693.2170.4-172.80000106.3A48 I77 R79 G84A48-V82 HydrophobicContact CB-CG2 3.46Å; A48-V82 VanDerWaalsContact CB-CG2 3.46Å; I77-V82 HydrophobicContact CD1-CG2 3.46Å; I77-V82 VanDerWaalsContact CD1-CG2 3.46Å; I77-V82 HydrophobicContact CG1-CG2 4.21Å; R79-V82 WeakPolarHBondContact O-CB 3.41Å; R79-V82 PolarHBondContact O-N 2.94Å; V82-G84 PolarHBondContact O-N 3.02Å
83G54.4Low77.1Confident64 Ų6482.3 Ų82.366%0.6645%0.453SS*.  trans-47.2135174.500000110.7R81 L85R81-G83 PolarHBondContact O-N 3.27Å; G83-L85 PolarHBondContact O-N 3.27Å
84G42.8Very low75.3Confident79 Ų7984.3 Ų84.381%0.81447%0.465SS*.  trans-52.1131.9-176.300000111.7V82V82-G84 PolarHBondContact O-N 3.02Å
85L42.2Very low73.3Confident251 Ų25191.9 Ų91.9100%1.31451%0.507SS*.  trans-58.40162.4-72.3168.2000110.2G83G83-L85 PolarHBondContact O-N 3.27Å

Retrieved 85 of 85 residues in 31.3 ms (Link to these results)

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