A0A077ZF13_TRITR Loading...

53 kDa excretory

AlphaFold DB , UniProt , Accession A0A077ZF13, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 201 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M27.4Very low62.3Low241 Ų241123.1 Ų123.1100%1.18761%0.614SS**  0129.10-60.5172.3-153.300107.6
2I29.3Very low64.8Low150 Ų150120.6 Ų120.677%0.76960%0.599SS**  trans-83.7129.8163.7-61.1173.2000105.8Q4I2-Q4 PolarHBondContact O-N 3.25Å; I2-Q4 VanDerWaalsContact O-N 3.09Å
3H32.9Very low67.1Low155 Ų155117.1 Ų117.172%0.71858%0.583SS**  trans-67.2111.6174.8-99.8-80.6000108.9Y5 S6H3-Y5 PolarHBondContact O-N 2.91Å; H3-S6 WeakPolarHBondContact O-CB 3.16Å; H3-S6 PolarHBondContact O-N 3.3Å
4Q39.2Very low69Low177 Ų177110.1 Ų110.183%0.82755%0.549SS*.THydrogen-bonded Turntrans-67.94.1-168.8-152.41671.900114.9I2I2-Q4 PolarHBondContact O-N 3.25Å; I2-Q4 VanDerWaalsContact O-N 3.09Å
5Y46.8Very low70.7Confident202 Ų202103.7 Ų103.779%0.79252%0.517SS*.THydrogen-bonded Turntrans-121.54.9178.5-58.2-79.6000112.7H3H3-Y5 PolarHBondContact O-N 2.91Å
6S63.2Low72.2Confident57 Ų57102.4 Ų102.440%0.39952%0.516SS..  trans-84.3118.6176.5-173.80000110.1H3 V8H3-S6 WeakPolarHBondContact O-CB 3.16Å; H3-S6 PolarHBondContact O-N 3.3Å; S6-V8 PolarHBondContact O-N 2.74Å; S6-V8 WeakPolarHBondContact OG-CB 3.34Å; S6-V8 PolarHBondContact OG-N 3.25Å; S6-V8 VanDerWaalsContact OG-N 3.1Å; S6-V8 PolarHBondContact OG-O 2.64Å
7N82.7Confident73.5Confident77 Ų7797.4 Ų97.441%0.41249%0.494SS..SBendtrans-75.76.4164.671.3-53000112.5R36 C38N7-R36 PolarHBondContact ND2-O 2.86Å; N7-R36 PolarHBondContact O-N 2.81Å; N7-C38 HydrophobicContact CB-CB 4.48Å
8V87.7Confident74.7Confident48 Ų4898.7 Ų98.729%0.29150%0.502SS..EExtended strand (participates in β ladder)trans-112.9125.6176.9-172.60000109.7S6 V33 H34 I35S6-V8 PolarHBondContact O-N 2.74Å; S6-V8 WeakPolarHBondContact OG-CB 3.34Å; S6-V8 PolarHBondContact OG-N 3.25Å; S6-V8 VanDerWaalsContact OG-N 3.1Å; S6-V8 PolarHBondContact OG-O 2.64Å; V8-V33 HydrophobicContact CG1-CB 3.7Å; V8-V33 HydrophobicContact CG1-CG1 4.42Å; V8-V33 HydrophobicContact CG1-CG2 3.64Å; V8-H34 WeakPolarHBondContact CA-O 3.46Å; V8-I35 HydrophobicContact CG1-CG1 4.15Å; V8-I35 HydrophobicContact CG2-CD1 4.41Å; V8-I35 HydrophobicContact CG2-CG1 4.02Å; V8-I35 HydrophobicContact CG2-CG2 4.27Å
9T90.7Very high75.6Confident67 Ų6793.6 Ų93.641%0.41148%0.476SS..EExtended strand (participates in β ladder)trans-111.1141171.251.70000110.1D11 V33 H34T9-D11 PolarHBondContact O-N 3.31Å; T9-V33 CarbonylContact O-C 3.55Å; T9-V33 WeakPolarHBondContact O-CA 3.23Å; T9-V33 WeakPolarHBondContact O-CB 3.43Å; T9-H34 PolarHBondContact N-O 2.82Å; T9-H34 PolarHBondContact O-N 2.76Å; T9-H34 PolarHBondContact OG1-O 2.83Å
10L92.8Very high76.3Confident109 Ų10997.2 Ų97.257%0.57149%0.488SS*.EExtended strand (participates in β ladder)trans-61.3136.1165.2178.864.3000108.8M31 V33L10-M31 HydrophobicContact CD1-CB 3.85Å; L10-M31 HydrophobicContact CD1-CG 4.16Å; L10-M31 HydrophobicContact CD1-SD 4.24Å; L10-V33 HydrophobicContact CD1-CG1 4.36Å
11D92.4Very high76.1Confident71 Ų7194.3 Ų94.338%0.3847%0.474SS..EExtended strand (participates in β ladder)trans-107.5-59.8175-170.364.6000109.9T9 R32 H34T9-D11 PolarHBondContact O-N 3.31Å; D11-R32 HydrophobicContact CB-CB 4.49Å; D11-R32 WeakPolarHBondContact CB-O 3.35Å; D11-R32 PolarHBondContact N-O 2.76Å; D11-R32 IonicContact OD2-CZ 3.73Å; D11-R32 VanDerWaalsContact OD2-CZ 3.23Å; D11-R32 IonicContact OD2-NE 2.74Å; D11-R32 PolarHBondContact OD2-NE 2.7Å; D11-R32 IonicContact OD2-NH2 3.01Å; D11-R32 PolarHBondContact OD2-NH2 2.87Å; D11-H34 IonicContact OD1-CE1 2.94Å; D11-H34 PolarHBondContact OD1-CE1 3.09Å; D11-H34 IonicContact OD1-ND1 3.81Å; D11-H34 PolarHBondContact OD1-ND1 3.08Å; D11-H34 IonicContact OD2-CE1 3.34Å; D11-H34 PolarHBondContact OD2-CE1 3.01Å; D11-H34 VanDerWaalsContact OD2-CE1 3.31Å; D11-H34 IonicContact OD2-ND1 2.8Å
12E92.9Very high78.1Confident93 Ų9388 Ų8844%0.43545%0.45SS..EExtended strand (participates in β ladder)trans-142.8142.3-177.6-177.5160.1-158.500111.7I14 M31 R32E12-I14 HydrophobicContact CG-CG1 4.26Å; E12-M31 CarbonylContact O-C 3.48Å; E12-M31 VanDerWaalsContact O-CA 3.23Å; E12-M31 WeakPolarHBondContact O-CA 3.38Å; E12-M31 WeakPolarHBondContact O-CB 3.42Å; E12-R32 HydrophobicContact CB-CB 4.35Å; E12-R32 PolarHBondContact N-O 2.74Å; E12-R32 VanDerWaalsContact N-O 3.13Å; E12-R32 PolarHBondContact O-N 3.06Å; E12-R32 IonicContact OE2-CZ 2.94Å; E12-R32 IonicContact OE2-NH1 2.93Å; E12-R32 PolarHBondContact OE2-NH1 3.48Å; E12-R32 IonicContact OE2-NH2 2.77Å; E12-R32 PolarHBondContact OE2-NH2 3.24Å
13L94.3Very high79.9Confident75 Ų7585.1 Ų85.139%0.39346%0.456SS..EExtended strand (participates in β ladder)trans-104.774.6177.9-176.655.3000109.7L15 V16 M29 M31L13-L15 PolarHBondContact O-N 3.45Å; L13-L15 VanDerWaalsContact O-N 3.12Å; L13-V16 HydrophobicContact CD1-CG2 3.94Å; L13-V16 HydrophobicContact CD2-CG2 3.55Å; L13-V16 HydrophobicContact CG-CG2 3.63Å; L13-M29 HydrophobicContact CD1-CB 4.3Å; L13-M29 HydrophobicContact CD1-CE 3.6Å; L13-M29 HydrophobicContact CD2-CE 4.02Å; L13-M29 HydrophobicContact CG-CE 4.49Å; L13-M31 HydrophobicContact CD1-CB 3.93Å
14I94.4Very high82Confident19 Ų1986 Ų8610%0.09745%0.453CS..EExtended strand (participates in β ladder)trans-49.7-37.4-174.5-59.7164.2000112.5E12 H30 R32 Y55 E86 I89 A90E12-I14 HydrophobicContact CG-CG1 4.26Å; I14-H30 PolarHBondContact N-O 2.8Å; I14-H30 VanDerWaalsContact N-O 3.14Å; I14-R32 HydrophobicContact CD1-CB 4.15Å; I14-Y55 HydrophobicContact CD1-CD1 3.98Å; I14-Y55 HydrophobicContact CD1-CE1 3.87Å; I14-E86 HydrophobicContact CD1-CG 4.4Å; I14-E86 WeakPolarHBondContact CD1-OE1 3.36Å; I14-I89 HydrophobicContact CG2-CB 4.29Å; I14-I89 HydrophobicContact CG2-CG2 4.02Å; I14-A90 HydrophobicContact CG2-CB 3.95Å; I14-A90 WeakPolarHBondContact O-CA 3.5Å; I14-A90 VanDerWaalsContact O-CB 3.26Å; I14-A90 WeakPolarHBondContact O-CB 3.44Å
15L94.6Very high84.4Confident14 Ų1480.7 Ų80.77%0.07343%0.434CS..EExtended strand (participates in β ladder)trans-147.2139.1-175.5178.977.1000112.3L13 M29 H30 V94L13-L15 PolarHBondContact O-N 3.45Å; L13-L15 VanDerWaalsContact O-N 3.12Å; L15-M29 VanDerWaalsContact O-CA 3.28Å; L15-M29 WeakPolarHBondContact O-CA 3.26Å; L15-H30 HydrophobicContact CB-CB 3.97Å; L15-H30 HydrophobicContact CD2-CB 4.31Å; L15-H30 PolarHBondContact N-O 3.09Å; L15-H30 PolarHBondContact O-N 3.1Å; L15-V94 HydrophobicContact CD2-CB 4.28Å; L15-V94 HydrophobicContact CD2-CG1 3.38Å; L15-V94 HydrophobicContact CD2-CG2 3.93Å
16V94.7Very high86.5Confident83 Ų8372.3 Ų72.350%0.50340%0.401SS..EExtended strand (participates in β ladder)trans-136.6129.9161.8-170.80000110L13 V27 I28 M29L13-V16 HydrophobicContact CD1-CG2 3.94Å; L13-V16 HydrophobicContact CD2-CG2 3.55Å; L13-V16 HydrophobicContact CG-CG2 3.63Å; V16-V27 HydrophobicContact CG1-CG1 4.42Å; V16-I28 WeakPolarHBondContact CA-O 3.46Å; V16-M29 HydrophobicContact CG1-CG 4.15Å; V16-M29 HydrophobicContact CG2-CG 4.29Å
17A94.4Very high88Confident17 Ų1770 Ų7014%0.1438%0.384CS..EExtended strand (participates in β ladder)trans-134.3138.5177.100000112.9V27 I28 V94A17-V27 WeakPolarHBondContact O-CA 3.43Å; A17-I28 PolarHBondContact N-O 3.46Å; A17-I28 PolarHBondContact O-N 2.87Å; A17-V94 HydrophobicContact CB-CG2 3.39Å
18L93.5Very high88.6Confident121 Ų12166.3 Ų66.363%0.63437%0.365SS*.EExtended strand (participates in β ladder)trans-102.174179.9-77.8162.6000111.1K20 T25 K26 V27L18-K20 PolarHBondContact O-N 3.32Å; L18-T25 HydrophobicContact CB-CG2 4.11Å; L18-T25 HydrophobicContact CD2-CG2 3.71Å; L18-K26 CarbonylContact C-O 3.5Å; L18-V27 HydrophobicContact CD2-CG2 3.63Å
19C93.4Very high89Confident2 Ų266.1 Ų66.11%0.01436%0.361CS..EExtended strand (participates in β ladder)trans-74.8107.7-175.7-51.40000111.7K26 C95 Y106C19-K26 PolarHBondContact N-O 3.36Å; C19-K26 PolarHBondContact O-N 2.9Å; C19-C95 WeakPolarHBondContact CA-SG 3.27Å; C19-C95 HydrophobicContact CB-CB 3.74Å; C19-C95 WeakPolarHBondContact CB-SG 3.48Å; C19-C95 WeakPolarHBondContact SG-CA 3.48Å; C19-C95 WeakPolarHBondContact SG-CB 3.31Å; C19-C95 CovalentContact SG-SG 2.04Å; C19-C95 PolarHBondContact SG-SG 2.82Å; C19-Y106 HydrophobicContact CB-CE1 3.93Å
20K88.4Confident89.2Confident165 Ų16563 Ų6372%0.71734%0.342SS*.EExtended strand (participates in β ladder)trans-80.7133.2173.6-63.8177.2-177174.50110.5L18 T25L18-K20 PolarHBondContact O-N 3.32Å; K20-T25 HydrophobicContact CG-CG2 4.38Å
21D73.1Confident89.4Confident37 Ų3759.4 Ų59.420%0.19832%0.323CS..EExtended strand (participates in β ladder)trans-149.8147.3163.6177.165.4000110.7G23 R24 K104D21-G23 VanDerWaalsContact C-N 3.26Å; D21-G23 PolarHBondContact O-N 2.87Å; D21-R24 PolarHBondContact N-O 3.09Å; D21-R24 CarbonylContact O-C 3.47Å; D21-R24 PolarHBondContact O-N 3.2Å; D21-K104 WeakPolarHBondContact OD2-CA 3.29Å; D21-K104 WeakPolarHBondContact OD2-CB 3.46Å
22T68.1Low89.4Confident110 Ų11057.6 Ų57.668%0.67531%0.31SS*.THydrogen-bonded Turntrans34.749.1173.155.30000116.1R24T22-R24 VanDerWaalsContact C-N 3.32Å; T22-R24 PolarHBondContact O-N 2.9Å
23G67Low89.4Confident88 Ų8853.6 Ų53.691%0.90729%0.293SS*.THydrogen-bonded Turntrans73.912.9178.300000115.8D21D21-G23 VanDerWaalsContact C-N 3.26Å; D21-G23 PolarHBondContact O-N 2.87Å
24R78.1Confident89.3Confident173 Ų17351.8 Ų51.865%0.65328%0.282SS*.EExtended strand (participates in β ladder)trans-135.9114-178.6-66.8178.8175.7168.90.4111.2D21 T22 K26D21-R24 PolarHBondContact N-O 3.09Å; D21-R24 CarbonylContact O-C 3.47Å; D21-R24 PolarHBondContact O-N 3.2Å; T22-R24 VanDerWaalsContact C-N 3.32Å; T22-R24 PolarHBondContact O-N 2.9Å; R24-K26 PolarHBondContact O-N 3.29Å
25T88.5Confident89.1Confident67 Ų6752.1 Ų52.141%0.41128%0.284SS..EExtended strand (participates in β ladder)trans-72126.3170.7-44.70000110.2L18 K20L18-T25 HydrophobicContact CB-CG2 4.11Å; L18-T25 HydrophobicContact CD2-CG2 3.71Å; K20-T25 HydrophobicContact CG-CG2 4.38Å
26K92.3Very high88.7Confident25 Ų2558.5 Ų58.511%0.10931%0.307CS..EExtended strand (participates in β ladder)trans-96.3152.6162.5-77.1166.1168.8-74.70109.4L18 C19 R24 G60 R61 D71 Y106L18-K26 CarbonylContact C-O 3.5Å; C19-K26 PolarHBondContact N-O 3.36Å; C19-K26 PolarHBondContact O-N 2.9Å; R24-K26 PolarHBondContact O-N 3.29Å; K26-G60 CarbonylContact C-O 3.58Å; K26-G60 WeakPolarHBondContact CA-O 3.34Å; K26-R61 HydrophobicContact CG-CG 4.34Å; K26-D71 IonicContact NZ-OD2 2.83Å; K26-D71 PolarHBondContact NZ-OD2 2.93Å; K26-Y106 HydrophobicContact CD-CD2 3.45Å; K26-Y106 VanDerWaalsContact CD-CD2 3.45Å; K26-Y106 HydrophobicContact CD-CE2 3.64Å; K26-Y106 HydrophobicContact CD-CG 4.49Å
27V94.5Very high88Confident8 Ų859.3 Ų59.35%0.04831%0.309CS..EExtended strand (participates in β ladder)trans-107.4130.4166.7168.40000107.7V16 A17 L18 M29 W58 I59 G60 L62V16-V27 HydrophobicContact CG1-CG1 4.42Å; A17-V27 WeakPolarHBondContact O-CA 3.43Å; L18-V27 HydrophobicContact CD2-CG2 3.63Å; V27-M29 HydrophobicContact CG1-CG 3.71Å; V27-M29 HydrophobicContact CG1-SD 3.88Å; V27-W58 HydrophobicContact CB-CZ3 3.99Å; V27-W58 HydrophobicContact CG1-CE3 4.37Å; V27-W58 HydrophobicContact CG1-CZ3 3.91Å; V27-I59 WeakPolarHBondContact O-CA 3.28Å; V27-G60 PolarHBondContact N-O 3Å; V27-G60 PolarHBondContact O-N 3.13Å; V27-L62 HydrophobicContact CG2-CD1 4Å; V27-L62 HydrophobicContact CG2-CG 4.07Å
28I95.5Very high87.1Confident0 Ų059.9 Ų59.90%031%0.311CS..EExtended strand (participates in β ladder)trans-111.3134.7166.5-57.4-174.3000106.9V16 A17 W58 I59 V94 W98 Y106V16-I28 WeakPolarHBondContact CA-O 3.46Å; A17-I28 PolarHBondContact N-O 3.46Å; A17-I28 PolarHBondContact O-N 2.87Å; I28-W58 CarbonylContact C-O 3.55Å; I28-W58 WeakPolarHBondContact CA-O 3.38Å; I28-I59 HydrophobicContact CG1-CG1 4.25Å; I28-I59 HydrophobicContact CG1-CG2 4.42Å; I28-I59 HydrophobicContact CG2-CG1 4.36Å; I28-V94 HydrophobicContact CB-CG2 4.17Å; I28-V94 HydrophobicContact CD1-CB 4.4Å; I28-V94 HydrophobicContact CD1-CG2 4.2Å; I28-V94 HydrophobicContact CG2-CB 4.44Å; I28-V94 HydrophobicContact CG2-CG2 4.08Å; I28-W98 HydrophobicContact CD1-CB 4.4Å; I28-W98 HydrophobicContact CD1-CE3 4.31Å; I28-W98 HydrophobicContact CG2-CD2 4.38Å; I28-W98 HydrophobicContact CG2-CE3 3.68Å; I28-W98 HydrophobicContact CG2-CH2 4.04Å; I28-W98 HydrophobicContact CG2-CZ3 3.48Å; I28-W98 VanDerWaalsContact CG2-CZ3 3.48Å; I28-Y106 HydrophobicContact CD1-CD1 3.7Å; I28-Y106 HydrophobicContact CD1-CE1 4.31Å; I28-Y106 HydrophobicContact CD1-CG 4.2Å
29M95.6Very high85.8Confident44 Ų4460 Ų6022%0.21731%0.309CS..EExtended strand (participates in β ladder)trans-133.3142.9176.1-66.2165.672.300109.8L13 L15 V16 V27 M31 S57 W58L13-M29 HydrophobicContact CD1-CB 4.3Å; L13-M29 HydrophobicContact CD1-CE 3.6Å; L13-M29 HydrophobicContact CD2-CE 4.02Å; L13-M29 HydrophobicContact CG-CE 4.49Å; L15-M29 VanDerWaalsContact O-CA 3.28Å; L15-M29 WeakPolarHBondContact O-CA 3.26Å; V16-M29 HydrophobicContact CG1-CG 4.15Å; V16-M29 HydrophobicContact CG2-CG 4.29Å; V27-M29 HydrophobicContact CG1-CG 3.71Å; V27-M29 HydrophobicContact CG1-SD 3.88Å; M29-M31 HydrophobicContact CB-CE 3.92Å; M29-M31 HydrophobicContact CE-CE 4.34Å; M29-S57 CarbonylContact O-C 3.53Å; M29-S57 WeakPolarHBondContact O-CA 3.37Å; M29-W58 PolarHBondContact N-O 2.97Å; M29-W58 PolarHBondContact O-N 3.49Å; M29-W58 HydrophobicContact SD-CE3 4.04Å; M29-W58 HydrophobicContact SD-CZ3 4.44Å
30H95.6Very high84.3Confident3 Ų369.8 Ų69.81%0.01435%0.351CS..EExtended strand (participates in β ladder)trans-126.9135.7164.1-167.977000108.9I14 L15 Y55 C56 S57 Y76 I89I14-H30 PolarHBondContact N-O 2.8Å; I14-H30 VanDerWaalsContact N-O 3.14Å; L15-H30 HydrophobicContact CB-CB 3.97Å; L15-H30 HydrophobicContact CD2-CB 4.31Å; L15-H30 PolarHBondContact N-O 3.09Å; L15-H30 PolarHBondContact O-N 3.1Å; H30-Y55 AromaticContact NE2-CD1 3.67Å; H30-C56 WeakPolarHBondContact CA-O 3.28Å; H30-S57 PolarHBondContact ND1-OG 2.97Å; H30-Y76 PolarHBondContact CE1-OH 3.38Å; H30-I89 HydrophobicContact CB-CG2 4.2Å
31M95.1Very high82.9Confident32 Ų3269.6 Ų69.616%0.15836%0.357CS..EExtended strand (participates in β ladder)trans-148.9145.1-170.471.3-159.48300112.1L10 E12 L13 M29 V33 C56 W58L10-M31 HydrophobicContact CD1-CB 3.85Å; L10-M31 HydrophobicContact CD1-CG 4.16Å; L10-M31 HydrophobicContact CD1-SD 4.24Å; E12-M31 CarbonylContact O-C 3.48Å; E12-M31 VanDerWaalsContact O-CA 3.23Å; E12-M31 WeakPolarHBondContact O-CA 3.38Å; E12-M31 WeakPolarHBondContact O-CB 3.42Å; L13-M31 HydrophobicContact CD1-CB 3.93Å; M29-M31 HydrophobicContact CB-CE 3.92Å; M29-M31 HydrophobicContact CE-CE 4.34Å; M31-V33 HydrophobicContact CG-CG1 3.99Å; M31-V33 HydrophobicContact SD-CG1 4.49Å; M31-C56 HydrophobicContact CG-CB 3.81Å; M31-C56 PolarHBondContact N-O 3.42Å; M31-C56 PolarHBondContact O-N 2.86Å; M31-C56 HydrophobicContact SD-CB 4.35Å; M31-W58 HydrophobicContact CE-CB 4.09Å
32R93.8Very high82.4Confident33 Ų3370 Ų7013%0.12536%0.363CS..EExtended strand (participates in β ladder)trans-90.2134.4168-164.8169.966.8-123-7.5108.7D11 E12 I14 Y55 E86D11-R32 HydrophobicContact CB-CB 4.49Å; D11-R32 WeakPolarHBondContact CB-O 3.35Å; D11-R32 PolarHBondContact N-O 2.76Å; D11-R32 IonicContact OD2-CZ 3.73Å; D11-R32 VanDerWaalsContact OD2-CZ 3.23Å; D11-R32 IonicContact OD2-NE 2.74Å; D11-R32 PolarHBondContact OD2-NE 2.7Å; D11-R32 IonicContact OD2-NH2 3.01Å; D11-R32 PolarHBondContact OD2-NH2 2.87Å; E12-R32 HydrophobicContact CB-CB 4.35Å; E12-R32 PolarHBondContact N-O 2.74Å; E12-R32 VanDerWaalsContact N-O 3.13Å; E12-R32 PolarHBondContact O-N 3.06Å; E12-R32 IonicContact OE2-CZ 2.94Å; E12-R32 IonicContact OE2-NH1 2.93Å; E12-R32 PolarHBondContact OE2-NH1 3.48Å; E12-R32 IonicContact OE2-NH2 2.77Å; E12-R32 PolarHBondContact OE2-NH2 3.24Å; I14-R32 HydrophobicContact CD1-CB 4.15Å; R32-Y55 HydrophobicContact CB-CD1 4.39Å; R32-Y55 HydrophobicContact CB-CE1 4.11Å; R32-Y55 WeakPolarHBondContact CD-OH 3.23Å; R32-Y55 HydrophobicContact CG-CD1 4.44Å; R32-Y55 HydrophobicContact CG-CE1 3.91Å; R32-E86 IonicContact CZ-OE1 3.3Å; R32-E86 VanDerWaalsContact NH1-CD 3.25Å; R32-E86 IonicContact NH1-OE1 2.76Å; R32-E86 PolarHBondContact NH1-OE1 3.12Å; R32-E86 IonicContact NH1-OE2 3.23Å; R32-E86 PolarHBondContact NH1-OE2 3.01Å
33V93.3Very high81.8Confident10 Ų1069 Ų696%0.06136%0.359CS..EExtended strand (participates in β ladder)trans-128.8146.2177.9-54.70000110.4V8 T9 L10 M31 I35 S53 A54V8-V33 HydrophobicContact CG1-CB 3.7Å; V8-V33 HydrophobicContact CG1-CG1 4.42Å; V8-V33 HydrophobicContact CG1-CG2 3.64Å; T9-V33 CarbonylContact O-C 3.55Å; T9-V33 WeakPolarHBondContact O-CA 3.23Å; T9-V33 WeakPolarHBondContact O-CB 3.43Å; L10-V33 HydrophobicContact CD1-CG1 4.36Å; M31-V33 HydrophobicContact CG-CG1 3.99Å; M31-V33 HydrophobicContact SD-CG1 4.49Å; V33-I35 HydrophobicContact CG2-CG1 4.42Å; V33-S53 WeakPolarHBondContact O-CA 3.38Å; V33-A54 HydrophobicContact CG2-CB 3.94Å; V33-A54 PolarHBondContact N-O 3.1Å; V33-A54 PolarHBondContact O-N 3.14Å
34H91.8Very high81.6Confident37 Ų3772.4 Ų72.417%0.17136%0.356CS..EExtended strand (participates in β ladder)trans-104.4122.9178.5-86.6135.8000110.8V8 T9 D11 P51 S53V8-H34 WeakPolarHBondContact CA-O 3.46Å; T9-H34 PolarHBondContact N-O 2.82Å; T9-H34 PolarHBondContact O-N 2.76Å; T9-H34 PolarHBondContact OG1-O 2.83Å; D11-H34 IonicContact OD1-CE1 2.94Å; D11-H34 PolarHBondContact OD1-CE1 3.09Å; D11-H34 IonicContact OD1-ND1 3.81Å; D11-H34 PolarHBondContact OD1-ND1 3.08Å; D11-H34 IonicContact OD2-CE1 3.34Å; D11-H34 PolarHBondContact OD2-CE1 3.01Å; D11-H34 VanDerWaalsContact OD2-CE1 3.31Å; D11-H34 IonicContact OD2-ND1 2.8Å; H34-P51 HydrophobicContact CB-CB 3.77Å; H34-P51 HydrophobicContact CB-CG 4.04Å; H34-S53 PolarHBondContact CD2-OG 2.71Å; H34-S53 PolarHBondContact NE2-OG 2.85Å
35I89Confident81.1Confident26 Ų2665.9 Ų65.913%0.13334%0.337CS..EExtended strand (participates in β ladder)trans-108.1119.6-176.7-50.8-174.6000109.4V8 V33 P51 I52 A54 L122V8-I35 HydrophobicContact CG1-CG1 4.15Å; V8-I35 HydrophobicContact CG2-CD1 4.41Å; V8-I35 HydrophobicContact CG2-CG1 4.02Å; V8-I35 HydrophobicContact CG2-CG2 4.27Å; V33-I35 HydrophobicContact CG2-CG1 4.42Å; I35-P51 WeakPolarHBondContact O-CA 3.35Å; I35-I52 HydrophobicContact CB-CB 4.46Å; I35-I52 PolarHBondContact N-O 2.9Å; I35-I52 PolarHBondContact O-N 3Å; I35-A54 HydrophobicContact CD1-CB 3.7Å; I35-A54 HydrophobicContact CG1-CB 4.29Å; I35-L122 HydrophobicContact CD1-CD1 3.36Å
36R86.6Confident80.4Confident147 Ų14764.7 Ų64.756%0.55533%0.331SS*.  trans-92.1141.7172.8-66.3-174177.7-162-2.2110.6N7 C38 C46 P51N7-R36 PolarHBondContact ND2-O 2.86Å; N7-R36 PolarHBondContact O-N 2.81Å; R36-C38 VanDerWaalsContact CB-SG 3.6Å; R36-C38 PolarHBondContact O-N 3.46Å; R36-C46 HydrophobicContact CB-CB 4.41Å; R36-P51 HydrophobicContact CG-CB 4.37Å
37N79.4Confident79.5Confident101 Ų10170.6 Ų70.654%0.5436%0.357SS..  trans-86.995.9175.6-170.9-14000109.5K47N37-K47 PolarHBondContact O-N 3.29Å
38C75.9Confident78.2Confident29 Ų2976.6 Ų76.620%0.19640%0.399CS..BIsolated β-bridgetrans-115.5139.8-176-40.60000110.9N7 R36 C46N7-C38 HydrophobicContact CB-CB 4.48Å; R36-C38 VanDerWaalsContact CB-SG 3.6Å; R36-C38 PolarHBondContact O-N 3.46Å; C38-C46 HydrophobicContact CB-CB 3.96Å; C38-C46 WeakPolarHBondContact CB-SG 3.11Å; C38-C46 VanDerWaalsContact SG-CA 3.6Å; C38-C46 WeakPolarHBondContact SG-CB 3.44Å; C38-C46 CovalentContact SG-SG 2.04Å; C38-C46 PolarHBondContact SG-SG 3.23Å
39Q67.1Low77.4Confident124 Ų12479.2 Ų79.258%0.57943%0.426SS*.  trans-72.1131.9-179.6-66.9177.4-55.300110.7N41 S42 S45Q39-N41 PolarHBondContact O-N 2.84Å; Q39-S42 CarbonylContact O-C 3.46Å; Q39-S42 PolarHBondContact O-N 2.87Å; Q39-S42 VanDerWaalsContact O-O 3.11Å; Q39-S45 PolarHBondContact N-O 2.76Å; Q39-S45 PolarHBondContact OE1-OG 2.85Å
40K62.1Low76.7Confident206 Ų20683 Ų8390%0.89645%0.454SS*.THydrogen-bonded Turntrans-51.3-31179.6-75.3-172.1174.3-176.50114.1
41N59.3Low76.2Confident161 Ų16185 Ų8586%0.86147%0.467SS*.THydrogen-bonded Turntrans-93.8-1.7-172.7-60.316.4000113.4Q39Q39-N41 PolarHBondContact O-N 2.84Å
42S61.8Low75.9Confident46 Ų4687.3 Ų87.332%0.32248%0.479SS..  trans-151.6100.3172175.50000109.3Q39 N44 S45Q39-S42 CarbonylContact O-C 3.46Å; Q39-S42 PolarHBondContact O-N 2.87Å; Q39-S42 VanDerWaalsContact O-O 3.11Å; S42-N44 PolarHBondContact O-N 2.91Å; S42-S45 WeakPolarHBondContact CB-OG 3.48Å; S42-S45 PolarHBondContact O-N 3.11Å; S42-S45 PolarHBondContact O-OG 3.14Å; S42-S45 PolarHBondContact OG-N 3.33Å
43P56.2Low75.8Confident90 Ų9087.3 Ų87.358%0.58449%0.485SS*.THydrogen-bonded Turntrans-55.8-23.6178.4-27.436000113.8
44N61.4Low75.7Confident159 Ų15986.9 Ų86.985%0.8548%0.482SS*.THydrogen-bonded Turntrans-85-17.6-180-63.9-4.3000113.1S42 C46S42-N44 PolarHBondContact O-N 2.91Å; N44-C46 VanDerWaalsContact C-N 3.32Å; N44-C46 PolarHBondContact O-N 2.04Å
45S67.7Low75.9Confident36 Ų3685.1 Ų85.125%0.25247%0.474SS..  trans-91.760.5175.267.60000112.7Q39 S42Q39-S45 PolarHBondContact N-O 2.76Å; Q39-S45 PolarHBondContact OE1-OG 2.85Å; S42-S45 WeakPolarHBondContact CB-OG 3.48Å; S42-S45 PolarHBondContact O-N 3.11Å; S42-S45 PolarHBondContact O-OG 3.14Å; S42-S45 PolarHBondContact OG-N 3.33Å
46C74.5Confident76.2Confident42 Ų4284.5 Ų84.528%0.28447%0.472SS..BIsolated β-bridgetrans-68.5128.9157.4-61.70000109.6R36 C38 N44 S48R36-C46 HydrophobicContact CB-CB 4.41Å; C38-C46 HydrophobicContact CB-CB 3.96Å; C38-C46 WeakPolarHBondContact CB-SG 3.11Å; C38-C46 VanDerWaalsContact SG-CA 3.6Å; C38-C46 WeakPolarHBondContact SG-CB 3.44Å; C38-C46 CovalentContact SG-SG 2.04Å; C38-C46 PolarHBondContact SG-SG 3.23Å; N44-C46 VanDerWaalsContact C-N 3.32Å; N44-C46 PolarHBondContact O-N 2.04Å; C46-S48 PolarHBondContact O-N 2.85Å
47K72.7Confident76.6Confident148 Ų14877.6 Ų77.664%0.64345%0.446SS*.  trans-60.3133.9177.6-73.6-169174.4-170.70110.7N37 G49N37-K47 PolarHBondContact O-N 3.29Å; K47-G49 PolarHBondContact O-N 3.49Å; K47-G49 VanDerWaalsContact O-N 3.09Å
48S69Low77.4Confident134 Ų13474.9 Ų74.994%0.93743%0.428SS*.SBendtrans-63.2106.1170.3-510000110.2C46C46-S48 PolarHBondContact O-N 2.85Å
49G77.3Confident78.3Confident55 Ų5573.5 Ų73.557%0.56742%0.419SS*.SBendtrans178.5167.5-179.700000111K47K47-G49 PolarHBondContact O-N 3.49Å; K47-G49 VanDerWaalsContact O-N 3.09Å
50P81.4Confident79.6Confident123 Ų12367.6 Ų67.680%0.79939%0.391SS*.PPolyproline II helixtrans-61.4140.6175.726.9-34000110.4
51P85.5Confident81Confident46 Ų4659.8 Ų59.830%0.29936%0.356SS..PPolyproline II helixtrans-65.8146.8172.729.5-34.3000110.2H34 I35 R36 S53H34-P51 HydrophobicContact CB-CB 3.77Å; H34-P51 HydrophobicContact CB-CG 4.04Å; I35-P51 WeakPolarHBondContact O-CA 3.35Å; R36-P51 HydrophobicContact CG-CB 4.37Å; P51-S53 PolarHBondContact O-N 2.82Å
52I88.7Confident82.4Confident80 Ų8055.4 Ų55.441%0.4133%0.332SS..EExtended strand (participates in β ladder)trans-79.1120173.1-60.9170.3000107.7I35 I77I35-I52 HydrophobicContact CB-CB 4.46Å; I35-I52 PolarHBondContact N-O 2.9Å; I35-I52 PolarHBondContact O-N 3Å; I52-I77 HydrophobicContact CG2-CD1 3.94Å; I52-I77 HydrophobicContact CG2-CG1 3.99Å; I52-I77 HydrophobicContact CG2-CG2 3.77Å
53S90.9Very high83.4Confident34 Ų3458.8 Ų58.824%0.23835%0.347CS..EExtended strand (participates in β ladder)trans-71.3136171.1-46.20000110.2V33 H34 P51V33-S53 WeakPolarHBondContact O-CA 3.38Å; H34-S53 PolarHBondContact CD2-OG 2.71Å; H34-S53 PolarHBondContact NE2-OG 2.85Å; P51-S53 PolarHBondContact O-N 2.82Å
54A92.7Very high84.7Confident0 Ų057.9 Ų57.90%035%0.353CS..EExtended strand (participates in β ladder)trans-134.5152.8170.900000109.8V33 I35 Y76 I77 L122V33-A54 HydrophobicContact CG2-CB 3.94Å; V33-A54 PolarHBondContact N-O 3.1Å; V33-A54 PolarHBondContact O-N 3.14Å; I35-A54 HydrophobicContact CD1-CB 3.7Å; I35-A54 HydrophobicContact CG1-CB 4.29Å; A54-Y76 CarbonylContact C-O 3.57Å; A54-Y76 VanDerWaalsContact CA-O 3.26Å; A54-Y76 WeakPolarHBondContact CA-O 3.26Å; A54-Y76 WeakPolarHBondContact CB-O 3.12Å; A54-I77 HydrophobicContact CB-CG1 4.33Å; A54-L122 HydrophobicContact CB-CD1 3.6Å
55Y94.4Very high85.5Confident0 Ų057.3 Ų57.30%036%0.356CS..EExtended strand (participates in β ladder)trans-112.7132.7-178.5-67.6-95.9000109.2I14 H30 R32 C75 Y76 T78 I81 E86I14-Y55 HydrophobicContact CD1-CD1 3.98Å; I14-Y55 HydrophobicContact CD1-CE1 3.87Å; H30-Y55 AromaticContact NE2-CD1 3.67Å; R32-Y55 HydrophobicContact CB-CD1 4.39Å; R32-Y55 HydrophobicContact CB-CE1 4.11Å; R32-Y55 WeakPolarHBondContact CD-OH 3.23Å; R32-Y55 HydrophobicContact CG-CD1 4.44Å; R32-Y55 HydrophobicContact CG-CE1 3.91Å; Y55-C75 CarbonylContact O-C 3.59Å; Y55-C75 VanDerWaalsContact O-CA 3.26Å; Y55-C75 WeakPolarHBondContact O-CA 3.45Å; Y55-Y76 HydrophobicContact CD2-CE2 4.39Å; Y55-Y76 HydrophobicContact CG-CE2 4.29Å; Y55-Y76 PolarHBondContact N-O 3.31Å; Y55-Y76 WeakPolarHBondContact O-CD1 3.34Å; Y55-Y76 PolarHBondContact O-N 2.85Å; Y55-T78 HydrophobicContact CD2-CG2 3.53Å; Y55-T78 HydrophobicContact CE2-CG2 3.76Å; Y55-I81 HydrophobicContact CD1-CD1 3.72Å; Y55-I81 HydrophobicContact CD2-CD1 3.85Å; Y55-I81 HydrophobicContact CD2-CG1 4.26Å; Y55-I81 HydrophobicContact CE1-CB 4.32Å; Y55-I81 HydrophobicContact CE1-CD1 3.67Å; Y55-I81 HydrophobicContact CE1-CG1 4.15Å; Y55-I81 HydrophobicContact CE2-CB 4.42Å; Y55-I81 HydrophobicContact CE2-CD1 3.81Å; Y55-I81 HydrophobicContact CE2-CG1 3.77Å; Y55-I81 HydrophobicContact CG-CD1 3.81Å; Y55-E86 HydrophobicContact CE1-CG 4.41Å; Y55-E86 VanDerWaalsContact CE1-OE1 3.29Å; Y55-E86 WeakPolarHBondContact CE1-OE1 3.13Å; Y55-E86 PolarHBondContact OH-OE1 3.03Å
56C95.3Very high86.2Confident14 Ų1458.2 Ų58.210%0.09537%0.366CS..EExtended strand (participates in β ladder)trans-126.4122.9-175.5-740000110.9H30 M31 V74 C75H30-C56 WeakPolarHBondContact CA-O 3.28Å; M31-C56 HydrophobicContact CG-CB 3.81Å; M31-C56 PolarHBondContact N-O 3.42Å; M31-C56 PolarHBondContact O-N 2.86Å; M31-C56 HydrophobicContact SD-CB 4.35Å; C56-V74 CarbonylContact C-O 3.58Å; C56-V74 VanDerWaalsContact CA-O 3.28Å; C56-V74 WeakPolarHBondContact CA-O 3.47Å; C56-C75 HydrophobicContact CB-CB 4.21Å; C56-C75 WeakPolarHBondContact CB-SG 3.08Å; C56-C75 WeakPolarHBondContact SG-CB 3.46Å; C56-C75 CovalentContact SG-SG 2.04Å; C56-C75 PolarHBondContact SG-SG 3.31Å
57S96.2Very high86.7Confident2 Ų262.6 Ų62.61%0.01438%0.382CS..EExtended strand (participates in β ladder)trans-99.9131.2167.4-60.50000109.4M29 H30 A73 V74 W98M29-S57 CarbonylContact O-C 3.53Å; M29-S57 WeakPolarHBondContact O-CA 3.37Å; H30-S57 PolarHBondContact ND1-OG 2.97Å; S57-A73 CarbonylContact O-C 3.54Å; S57-A73 VanDerWaalsContact O-CA 3.26Å; S57-A73 WeakPolarHBondContact O-CA 3.04Å; S57-V74 PolarHBondContact N-O 2.86Å; S57-V74 PolarHBondContact O-N 3.01Å; S57-W98 WeakPolarHBondContact OG-CH2 3.37Å
58W95.7Very high87.4Confident43 Ų4363 Ų6316%0.16338%0.379CS..EExtended strand (participates in β ladder)trans-127.7134.6177.4-175.889.7000111V27 I28 M29 M31 L62 H67 L70V27-W58 HydrophobicContact CB-CZ3 3.99Å; V27-W58 HydrophobicContact CG1-CE3 4.37Å; V27-W58 HydrophobicContact CG1-CZ3 3.91Å; I28-W58 CarbonylContact C-O 3.55Å; I28-W58 WeakPolarHBondContact CA-O 3.38Å; M29-W58 PolarHBondContact N-O 2.97Å; M29-W58 PolarHBondContact O-N 3.49Å; M29-W58 HydrophobicContact SD-CE3 4.04Å; M29-W58 HydrophobicContact SD-CZ3 4.44Å; M31-W58 HydrophobicContact CE-CB 4.09Å; W58-L62 HydrophobicContact CH2-CD2 4.18Å; W58-H67 AromaticContact CZ2-CD2 3.58Å; W58-L70 VanDerWaalsContact NE1-CD1 3.34Å
59I95.2Very high88.3Confident0 Ų060.1 Ų60.10%035%0.35CS..EExtended strand (participates in β ladder)trans-128.3126.6177-57.2175000108.3V27 I28 D71 G72 W98 L108 V127V27-I59 WeakPolarHBondContact O-CA 3.28Å; I28-I59 HydrophobicContact CG1-CG1 4.25Å; I28-I59 HydrophobicContact CG1-CG2 4.42Å; I28-I59 HydrophobicContact CG2-CG1 4.36Å; I59-D71 HydrophobicContact CG2-CB 4.37Å; I59-D71 CarbonylContact O-C 3.52Å; I59-D71 WeakPolarHBondContact O-CA 3.08Å; I59-D71 PolarHBondContact O-N 2.87Å; I59-G72 PolarHBondContact N-O 2.04Å; I59-G72 PolarHBondContact O-N 2.04Å; I59-G72 VanDerWaalsContact O-O 3.08Å; I59-W98 HydrophobicContact CD1-CE3 3.95Å; I59-W98 HydrophobicContact CD1-CZ3 4.19Å; I59-W98 HydrophobicContact CG1-CE3 4.39Å; I59-W98 HydrophobicContact CG1-CZ3 4.27Å; I59-L108 HydrophobicContact CD1-CD2 3.6Å; I59-L108 HydrophobicContact CD1-CG 4.02Å; I59-L108 HydrophobicContact CG1-CD2 3.76Å; I59-V127 HydrophobicContact CD1-CG2 4Å
60G93.7Very high89Confident0 Ų059.7 Ų59.70%033%0.334CS..EExtended strand (participates in β ladder)trans-175.2-152.4177.400000114K26 V27 K69K26-G60 CarbonylContact C-O 3.58Å; K26-G60 WeakPolarHBondContact CA-O 3.34Å; V27-G60 PolarHBondContact N-O 3Å; V27-G60 PolarHBondContact O-N 3.13Å; G60-K69 CarbonylContact C-O 3.5Å; G60-K69 WeakPolarHBondContact CA-O 3.06Å
61R91.7Very high89.4Confident42 Ų4254 Ų5416%0.15830%0.297CS..EExtended strand (participates in β ladder)trans-138.3141.8-176.8-76.7169.7-85.3168.8-9110.1K26 R68 K69 D71K26-R61 HydrophobicContact CG-CG 4.34Å; R61-R68 WeakPolarHBondContact O-CA 3.33Å; R61-R68 WeakPolarHBondContact O-CB 3.33Å; R61-R68 PolarHBondContact O-N 2.92Å; R61-K69 PolarHBondContact N-O 2.92Å; R61-K69 PolarHBondContact O-N 3.37Å; R61-D71 IonicContact CZ-OD1 3.31Å; R61-D71 IonicContact CZ-OD2 3.67Å; R61-D71 IonicContact NE-OD2 2.76Å; R61-D71 PolarHBondContact NE-OD2 2.86Å; R61-D71 VanDerWaalsContact NH2-CG 3.27Å; R61-D71 IonicContact NH2-OD1 3.17Å; R61-D71 PolarHBondContact NH2-OD1 2.85Å; R61-D71 IonicContact NH2-OD2 3.08Å; R61-D71 PolarHBondContact NH2-OD2 3.48Å
62L88Confident89.8Confident69 Ų6951.8 Ų51.836%0.36128%0.283SS..EExtended strand (participates in β ladder)trans-102.5170.2174.4-54.4-178.1000111.3V27 W58 G64 A66V27-L62 HydrophobicContact CG2-CD1 4Å; V27-L62 HydrophobicContact CG2-CG 4.07Å; W58-L62 HydrophobicContact CH2-CD2 4.18Å; L62-G64 WeakPolarHBondContact CB-O 3.08Å; L62-A66 CarbonylContact C-O 3.5Å; L62-A66 WeakPolarHBondContact CA-O 3.35Å; L62-A66 WeakPolarHBondContact CB-O 3.36Å
63N83.6Confident90.1Very high118 Ų11848.2 Ų48.263%0.63127%0.265SS*.EExtended strand (participates in β ladder)trans-134.3102.7163.9-172.644.9000107.2T65 A66 R68N63-T65 PolarHBondContact O-N 2.94Å; N63-A66 PolarHBondContact N-O 2.88Å; N63-A66 PolarHBondContact O-N 2.87Å; N63-A66 VanDerWaalsContact O-N 3.09Å; N63-R68 HydrophobicContact CB-CB 4.04Å; N63-R68 HydrophobicContact CB-CG 4.45Å
64G82.5Confident90.3Very high70 Ų7046.6 Ų46.672%0.72225%0.254SS*.THydrogen-bonded Turntrans58.3-127.6-158.100000110L62L62-G64 WeakPolarHBondContact CB-O 3.08Å
65T79.1Confident90.4Very high147 Ų14747.5 Ų47.590%0.90226%0.26SS*.THydrogen-bonded Turntrans-84.5-13.3173.851.80000114N63N63-T65 PolarHBondContact O-N 2.94Å
66A82.9Confident90.3Very high55 Ų5547.8 Ų47.846%0.45526%0.261SS..EExtended strand (participates in β ladder)trans-81.1145-174.500000112.4L62 N63 R68L62-A66 CarbonylContact C-O 3.5Å; L62-A66 WeakPolarHBondContact CA-O 3.35Å; L62-A66 WeakPolarHBondContact CB-O 3.36Å; N63-A66 PolarHBondContact N-O 2.88Å; N63-A66 PolarHBondContact O-N 2.87Å; N63-A66 VanDerWaalsContact O-N 3.09Å; A66-R68 PolarHBondContact O-N 3.3Å
67H83.6Confident90.1Very high134 Ų13451.3 Ų51.362%0.6228%0.278SS*.EExtended strand (participates in β ladder)trans-60.6124.2167.9167.7-79.2000110.6W58W58-H67 AromaticContact CZ2-CD2 3.58Å
68R87.1Confident89.3Confident158 Ų15853.7 Ų53.760%0.59629%0.293SS*.EExtended strand (participates in β ladder)trans-103.6-42.9174.5179.4-175.8170.4-173.12.8112.6R61 N63 A66R61-R68 WeakPolarHBondContact O-CA 3.33Å; R61-R68 WeakPolarHBondContact O-CB 3.33Å; R61-R68 PolarHBondContact O-N 2.92Å; N63-R68 HydrophobicContact CB-CB 4.04Å; N63-R68 HydrophobicContact CB-CG 4.45Å; A66-R68 PolarHBondContact O-N 3.3Å
69K89.6Confident88.3Confident73 Ų7360.1 Ų60.132%0.31732%0.324SS..EExtended strand (participates in β ladder)trans-160.5126-178.7178.6152.2178.5158.20112.8G60 R61G60-K69 CarbonylContact C-O 3.5Å; G60-K69 WeakPolarHBondContact CA-O 3.06Å; R61-K69 PolarHBondContact N-O 2.92Å; R61-K69 PolarHBondContact O-N 3.37Å
70L90.6Very high87Confident45 Ų4566.8 Ų66.824%0.23635%0.353CS..EExtended strand (participates in β ladder)trans-67.1126.4160.1178.166.3000109.4W58 G72 A73 Y125W58-L70 VanDerWaalsContact NE1-CD1 3.34Å; L70-G72 WeakPolarHBondContact CD1-O 3.45Å; L70-A73 HydrophobicContact CD1-CB 3.87Å; L70-Y125 HydrophobicContact CD1-CD1 4.43Å; L70-Y125 HydrophobicContact CD2-CD1 3.55Å; L70-Y125 HydrophobicContact CD2-CE1 3.63Å; L70-Y125 HydrophobicContact CD2-CG 4.09Å; L70-Y125 HydrophobicContact CG-CD1 3.86Å; L70-Y125 HydrophobicContact CG-CE1 3.84Å
71D91.2Very high86.4Confident3 Ų367.6 Ų67.62%0.01636%0.358CS..EExtended strand (participates in β ladder)trans-106.7-30166.8-78.9-36.3000111.8K26 I59 R61 V127 P128 R134K26-D71 IonicContact NZ-OD2 2.83Å; K26-D71 PolarHBondContact NZ-OD2 2.93Å; I59-D71 HydrophobicContact CG2-CB 4.37Å; I59-D71 CarbonylContact O-C 3.52Å; I59-D71 WeakPolarHBondContact O-CA 3.08Å; I59-D71 PolarHBondContact O-N 2.87Å; R61-D71 IonicContact CZ-OD1 3.31Å; R61-D71 IonicContact CZ-OD2 3.67Å; R61-D71 IonicContact NE-OD2 2.76Å; R61-D71 PolarHBondContact NE-OD2 2.86Å; R61-D71 VanDerWaalsContact NH2-CG 3.27Å; R61-D71 IonicContact NH2-OD1 3.17Å; R61-D71 PolarHBondContact NH2-OD1 2.85Å; R61-D71 IonicContact NH2-OD2 3.08Å; R61-D71 PolarHBondContact NH2-OD2 3.48Å; D71-V127 WeakPolarHBondContact O-CA 3.41Å; D71-P128 WeakPolarHBondContact O-CD 3.4Å; D71-R134 IonicContact OD1-CZ 3.97Å; D71-R134 IonicContact OD1-NH2 2.7Å; D71-R134 PolarHBondContact OD1-NH2 3.15Å
72G93Very high86Confident0 Ų068 Ų680%037%0.367CS..EExtended strand (participates in β ladder)trans-165.5152.317300000112.9I59 L70 Y125I59-G72 PolarHBondContact N-O 2.04Å; I59-G72 PolarHBondContact O-N 2.04Å; I59-G72 VanDerWaalsContact O-O 3.08Å; L70-G72 WeakPolarHBondContact CD1-O 3.45Å; G72-Y125 CarbonylContact C-O 3.54Å; G72-Y125 VanDerWaalsContact CA-O 3.23Å; G72-Y125 WeakPolarHBondContact CA-O 3.28Å
73A95.1Very high86Confident5 Ų571.3 Ų71.34%0.04138%0.38CS..EExtended strand (participates in β ladder)trans-152.4151.116900000112.7S57 L70 L108 L123 Y125S57-A73 CarbonylContact O-C 3.54Å; S57-A73 VanDerWaalsContact O-CA 3.26Å; S57-A73 WeakPolarHBondContact O-CA 3.04Å; L70-A73 HydrophobicContact CD1-CB 3.87Å; A73-L108 VanDerWaalsContact C-CD1 3.44Å; A73-L108 WeakPolarHBondContact O-CD1 3.26Å; A73-L123 HydrophobicContact CB-CD2 3.76Å; A73-Y125 PolarHBondContact N-O 3.3Å; A73-Y125 CarbonylContact O-C 3.6Å; A73-Y125 WeakPolarHBondContact O-CA 3.42Å; A73-Y125 PolarHBondContact O-N 2.97Å
74V94.3Very high86.2Confident0 Ų073.1 Ų73.10%039%0.385CS..EExtended strand (participates in β ladder)trans-142.7140.6167.858.80000109C56 S57 Y76 L108 I110 L121 L123 Y124C56-V74 CarbonylContact C-O 3.58Å; C56-V74 VanDerWaalsContact CA-O 3.28Å; C56-V74 WeakPolarHBondContact CA-O 3.47Å; S57-V74 PolarHBondContact N-O 2.86Å; S57-V74 PolarHBondContact O-N 3.01Å; V74-Y76 HydrophobicContact CG2-CD1 4.3Å; V74-L108 HydrophobicContact CB-CD1 4.1Å; V74-L108 HydrophobicContact CG1-CB 4.05Å; V74-L108 HydrophobicContact CG1-CD1 4.16Å; V74-L108 HydrophobicContact CG1-CD2 4.27Å; V74-L108 HydrophobicContact CG1-CG 4.39Å; V74-I110 HydrophobicContact CB-CD1 4.33Å; V74-I110 HydrophobicContact CG1-CD1 4.06Å; V74-I110 HydrophobicContact CG2-CD1 4.14Å; V74-L121 HydrophobicContact CG2-CD1 3.98Å; V74-L123 CarbonylContact C-O 3.43Å; V74-L123 VanDerWaalsContact CA-O 3.31Å; V74-L123 WeakPolarHBondContact CA-O 3.36Å; V74-L123 WeakPolarHBondContact CG2-O 2.94Å; V74-Y124 HydrophobicContact CB-CD2 4.39Å; V74-Y124 HydrophobicContact CG2-CD2 4.09Å
75C94.8Very high86.5Confident19 Ų1974.8 Ų74.813%0.12837%0.374CS..EExtended strand (participates in β ladder)trans-133.4137171.5-67.80000110.1Y55 C56 L122 L123Y55-C75 CarbonylContact O-C 3.59Å; Y55-C75 VanDerWaalsContact O-CA 3.26Å; Y55-C75 WeakPolarHBondContact O-CA 3.45Å; C56-C75 HydrophobicContact CB-CB 4.21Å; C56-C75 WeakPolarHBondContact CB-SG 3.08Å; C56-C75 WeakPolarHBondContact SG-CB 3.46Å; C56-C75 CovalentContact SG-SG 2.04Å; C56-C75 PolarHBondContact SG-SG 3.31Å; C75-L122 HydrophobicContact CB-CB 4Å; C75-L122 WeakPolarHBondContact O-CB 3.33Å; C75-L122 PolarHBondContact O-N 3.05Å; C75-L123 HydrophobicContact CB-CB 3.92Å; C75-L123 PolarHBondContact N-O 3.43Å; C75-L123 PolarHBondContact O-N 2.92Å; C75-L123 VanDerWaalsContact O-N 3.16Å
76Y92.8Very high86.9Confident7 Ų768.6 Ų68.63%0.02734%0.335CS..EExtended strand (participates in β ladder)trans-144.9146.1-17655.1-87.7000112.4H30 A54 Y55 V74 T78 P111 I114H30-Y76 PolarHBondContact CE1-OH 3.38Å; A54-Y76 CarbonylContact C-O 3.57Å; A54-Y76 VanDerWaalsContact CA-O 3.26Å; A54-Y76 WeakPolarHBondContact CA-O 3.26Å; A54-Y76 WeakPolarHBondContact CB-O 3.12Å; Y55-Y76 HydrophobicContact CD2-CE2 4.39Å; Y55-Y76 HydrophobicContact CG-CE2 4.29Å; Y55-Y76 PolarHBondContact N-O 3.31Å; Y55-Y76 WeakPolarHBondContact O-CD1 3.34Å; Y55-Y76 PolarHBondContact O-N 2.85Å; V74-Y76 HydrophobicContact CG2-CD1 4.3Å; Y76-T78 HydrophobicContact CD2-CG2 3.94Å; Y76-T78 HydrophobicContact CE2-CG2 3.78Å; Y76-P111 HydrophobicContact CE1-CG 4.23Å; Y76-P111 HydrophobicContact CE2-CG 4.08Å; Y76-P111 WeakPolarHBondContact OH-CG 3.18Å; Y76-I114 HydrophobicContact CD1-CD1 3.53Å; Y76-I114 HydrophobicContact CD2-CD1 3.53Å; Y76-I114 HydrophobicContact CE1-CD1 4.01Å; Y76-I114 HydrophobicContact CE2-CD1 4Å; Y76-I114 HydrophobicContact CG-CD1 3.27Å
77I90.5Very high87.3Confident88 Ų8874.7 Ų74.745%0.45135%0.346SS..EExtended strand (participates in β ladder)trans-84.3135.6163.3-57.8167.7000106.8I52 A54 L122I52-I77 HydrophobicContact CG2-CD1 3.94Å; I52-I77 HydrophobicContact CG2-CG1 3.99Å; I52-I77 HydrophobicContact CG2-CG2 3.77Å; A54-I77 HydrophobicContact CB-CG1 4.33Å; I77-L122 HydrophobicContact CD1-CD1 4.48Å; I77-L122 HydrophobicContact CD1-CD2 4.06Å; I77-L122 HydrophobicContact CD1-CG 4.48Å; I77-L122 HydrophobicContact CG1-CD1 3.86Å; I77-L122 HydrophobicContact CG1-CD2 4.27Å; I77-L122 HydrophobicContact CG1-CG 4.15Å
78T81.2Confident87.7Confident52 Ų5271.6 Ų71.632%0.31934%0.337SS..  trans-138.7161.5167.81770000108Y55 Y76 I81Y55-T78 HydrophobicContact CD2-CG2 3.53Å; Y55-T78 HydrophobicContact CE2-CG2 3.76Å; Y76-T78 HydrophobicContact CD2-CG2 3.94Å; Y76-T78 HydrophobicContact CE2-CG2 3.78Å; T78-I81 HydrophobicContact CG2-CD1 4.04Å; T78-I81 HydrophobicContact CG2-CG1 3.79Å
79E73.8Confident87.8Confident178 Ų17865.3 Ų65.383%0.83232%0.315SS*.SBendtrans-58.6154.5161.5-69.6168.2-149.800109.3I81E79-I81 PolarHBondContact O-N 2.84Å
80K68.9Low87.9Confident139 Ų13963.6 Ų63.660%0.60431%0.314SS*.  trans-58113.6-167.1-165.5-157.5173.3-161.80109.9E83K80-E83 IonicContact NZ-OE1 2.87Å; K80-E83 PolarHBondContact NZ-OE1 3.46Å
81I79.3Confident88Confident18 Ų1865.4 Ų65.49%0.09233%0.327CS..  trans-54.4139.8170.2-58.2-173.4000108.4Y55 T78 E79 E85 E86Y55-I81 HydrophobicContact CD1-CD1 3.72Å; Y55-I81 HydrophobicContact CD2-CD1 3.85Å; Y55-I81 HydrophobicContact CD2-CG1 4.26Å; Y55-I81 HydrophobicContact CE1-CB 4.32Å; Y55-I81 HydrophobicContact CE1-CD1 3.67Å; Y55-I81 HydrophobicContact CE1-CG1 4.15Å; Y55-I81 HydrophobicContact CE2-CB 4.42Å; Y55-I81 HydrophobicContact CE2-CD1 3.81Å; Y55-I81 HydrophobicContact CE2-CG1 3.77Å; Y55-I81 HydrophobicContact CG-CD1 3.81Å; T78-I81 HydrophobicContact CG2-CD1 4.04Å; T78-I81 HydrophobicContact CG2-CG1 3.79Å; E79-I81 PolarHBondContact O-N 2.84Å; I81-E85 HydrophobicContact CG2-CB 3.33Å; I81-E85 HydrophobicContact CG2-CG 4.33Å; I81-E86 HydrophobicContact CB-CG 4.19Å; I81-E86 HydrophobicContact CG2-CG 3.84Å
82S85Confident88Confident50 Ų5067.4 Ų67.435%0.3534%0.337SS..  trans-69.6154.8178.764.60000111.5E84 E85 E86S82-E84 PolarHBondContact O-N 3.02Å; S82-E85 WeakPolarHBondContact CB-OE2 3.4Å; S82-E85 PolarHBondContact N-OE2 3.09Å; S82-E85 PolarHBondContact O-N 3.42Å; S82-E85 VanDerWaalsContact O-N 3.09Å; S82-E85 WeakPolarHBondContact OG-CB 3.26Å; S82-E85 VanDerWaalsContact OG-CG 3.23Å; S82-E85 WeakPolarHBondContact OG-CG 3.39Å; S82-E85 PolarHBondContact OG-N 3.45Å; S82-E85 PolarHBondContact OG-OE2 2.83Å; S82-E86 PolarHBondContact O-N 2.95Å
83E86.5Confident88Confident138 Ų13871.9 Ų71.965%0.64536%0.361SS*.Hα-helixtrans-63.4-26.9178.2-72.9164.5-15700111.8K80 W87K80-E83 IonicContact NZ-OE1 2.87Å; K80-E83 PolarHBondContact NZ-OE1 3.46Å; E83-W87 WeakPolarHBondContact O-CB 3.27Å; E83-W87 PolarHBondContact O-N 2.89Å
84E89.2Confident88Confident157 Ų15771.7 Ų71.773%0.73436%0.36SS*.Hα-helixtrans-69.2-40.7172-174.2176.7179.300112.5S82 T88S82-E84 PolarHBondContact O-N 3.02Å; E84-T88 WeakPolarHBondContact O-CB 3.43Å; E84-T88 PolarHBondContact O-N 2.99Å; E84-T88 PolarHBondContact O-OG1 2.82Å
85E87.2Confident87.9Confident105 Ų10573 Ų7349%0.49137%0.369SS..Hα-helixtrans-70.9-40.2174.5-74.4166.9115.500112.1I81 S82 T88 I89I81-E85 HydrophobicContact CG2-CB 3.33Å; I81-E85 HydrophobicContact CG2-CG 4.33Å; S82-E85 WeakPolarHBondContact CB-OE2 3.4Å; S82-E85 PolarHBondContact N-OE2 3.09Å; S82-E85 PolarHBondContact O-N 3.42Å; S82-E85 VanDerWaalsContact O-N 3.09Å; S82-E85 WeakPolarHBondContact OG-CB 3.26Å; S82-E85 VanDerWaalsContact OG-CG 3.23Å; S82-E85 WeakPolarHBondContact OG-CG 3.39Å; S82-E85 PolarHBondContact OG-N 3.45Å; S82-E85 PolarHBondContact OG-OE2 2.83Å; E85-T88 WeakPolarHBondContact O-CB 3.31Å; E85-T88 PolarHBondContact O-N 2.94Å; E85-I89 VanDerWaalsContact O-CG1 3.28Å; E85-I89 WeakPolarHBondContact O-CG1 3.48Å; E85-I89 PolarHBondContact O-N 2.86Å
86E88.9Confident87.8Confident17 Ų1779.7 Ų79.78%0.07940%0.396CS..Hα-helixtrans-63-44.6173.2-71.6-166.6122.900111.1I14 R32 Y55 I81 S82 T88 I89 A90I14-E86 HydrophobicContact CD1-CG 4.4Å; I14-E86 WeakPolarHBondContact CD1-OE1 3.36Å; R32-E86 IonicContact CZ-OE1 3.3Å; R32-E86 VanDerWaalsContact NH1-CD 3.25Å; R32-E86 IonicContact NH1-OE1 2.76Å; R32-E86 PolarHBondContact NH1-OE1 3.12Å; R32-E86 IonicContact NH1-OE2 3.23Å; R32-E86 PolarHBondContact NH1-OE2 3.01Å; Y55-E86 HydrophobicContact CE1-CG 4.41Å; Y55-E86 VanDerWaalsContact CE1-OE1 3.29Å; Y55-E86 WeakPolarHBondContact CE1-OE1 3.13Å; Y55-E86 PolarHBondContact OH-OE1 3.03Å; I81-E86 HydrophobicContact CB-CG 4.19Å; I81-E86 HydrophobicContact CG2-CG 3.84Å; S82-E86 PolarHBondContact O-N 2.95Å; E86-T88 VanDerWaalsContact C-N 3.32Å; E86-T88 PolarHBondContact O-N 3.2Å; E86-I89 PolarHBondContact O-N 2.88Å; E86-A90 WeakPolarHBondContact O-CB 3.47Å; E86-A90 PolarHBondContact O-N 3.26Å
87W91.7Very high87.8Confident182 Ų18284 Ų8469%0.68942%0.418SS*.Hα-helixtrans-61.7-39.2174-179.9-105.5000112.4E83 A90 T91E83-W87 WeakPolarHBondContact O-CB 3.27Å; E83-W87 PolarHBondContact O-N 2.89Å; W87-A90 PolarHBondContact O-N 3.07Å; W87-T91 HydrophobicContact CD2-CG2 4.14Å; W87-T91 HydrophobicContact CH2-CG2 4.27Å; W87-T91 HydrophobicContact CZ2-CG2 3.8Å; W87-T91 WeakPolarHBondContact O-CB 3.34Å; W87-T91 WeakPolarHBondContact O-CG2 3.39Å; W87-T91 PolarHBondContact O-N 2.87Å; W87-T91 VanDerWaalsContact O-N 3.1Å; W87-T91 PolarHBondContact O-OG1 2.8Å
88T91.3Very high87.9Confident70 Ų7079.9 Ų79.943%0.42940%0.397SS..Hα-helixtrans-59.2-51.4172-62.10000110.3E84 E85 E86 A90 T91 I92E84-T88 WeakPolarHBondContact O-CB 3.43Å; E84-T88 PolarHBondContact O-N 2.99Å; E84-T88 PolarHBondContact O-OG1 2.82Å; E85-T88 WeakPolarHBondContact O-CB 3.31Å; E85-T88 PolarHBondContact O-N 2.94Å; E86-T88 VanDerWaalsContact C-N 3.32Å; E86-T88 PolarHBondContact O-N 3.2Å; T88-A90 VanDerWaalsContact C-N 3.29Å; T88-A90 PolarHBondContact O-N 2.96Å; T88-T91 PolarHBondContact O-N 2.97Å; T88-T91 VanDerWaalsContact O-N 3.09Å; T88-T91 PolarHBondContact O-OG1 2.94Å; T88-I92 HydrophobicContact CG2-CG2 4.27Å; T88-I92 WeakPolarHBondContact O-CG2 3.5Å; T88-I92 PolarHBondContact O-N 2.92Å; T88-I92 VanDerWaalsContact O-N 3.11Å
89I88.8Confident88.4Confident26 Ų2681.3 Ų81.313%0.13340%0.397CS..Hα-helixtrans-60.4-37.5178.7-66.8161.9000112I14 H30 E85 E86 T91I14-I89 HydrophobicContact CG2-CB 4.29Å; I14-I89 HydrophobicContact CG2-CG2 4.02Å; H30-I89 HydrophobicContact CB-CG2 4.2Å; E85-I89 VanDerWaalsContact O-CG1 3.28Å; E85-I89 WeakPolarHBondContact O-CG1 3.48Å; E85-I89 PolarHBondContact O-N 2.86Å; E86-I89 PolarHBondContact O-N 2.88Å; I89-T91 VanDerWaalsContact C-N 3.3Å; I89-T91 PolarHBondContact O-N 3.09Å
90A91Very high89.2Confident37 Ų3773.6 Ų73.631%0.30636%0.36SS..Hα-helixtrans-66.6-28176.700000113.6I14 E86 W87 T88I14-A90 HydrophobicContact CG2-CB 3.95Å; I14-A90 WeakPolarHBondContact O-CA 3.5Å; I14-A90 VanDerWaalsContact O-CB 3.26Å; I14-A90 WeakPolarHBondContact O-CB 3.44Å; E86-A90 WeakPolarHBondContact O-CB 3.47Å; E86-A90 PolarHBondContact O-N 3.26Å; W87-A90 PolarHBondContact O-N 3.07Å; T88-A90 VanDerWaalsContact C-N 3.29Å; T88-A90 PolarHBondContact O-N 2.96Å
91T92.7Very high90.1Very high82 Ų8269.5 Ų69.550%0.50335%0.353SS..Hα-helixtrans-104.5-9.9-172.854.80000115.6W87 T88 I89W87-T91 HydrophobicContact CD2-CG2 4.14Å; W87-T91 HydrophobicContact CH2-CG2 4.27Å; W87-T91 HydrophobicContact CZ2-CG2 3.8Å; W87-T91 WeakPolarHBondContact O-CB 3.34Å; W87-T91 WeakPolarHBondContact O-CG2 3.39Å; W87-T91 PolarHBondContact O-N 2.87Å; W87-T91 VanDerWaalsContact O-N 3.1Å; W87-T91 PolarHBondContact O-OG1 2.8Å; T88-T91 PolarHBondContact O-N 2.97Å; T88-T91 VanDerWaalsContact O-N 3.09Å; T88-T91 PolarHBondContact O-OG1 2.94Å; I89-T91 VanDerWaalsContact C-N 3.3Å; I89-T91 PolarHBondContact O-N 3.09Å
92I92.2Very high90.5Very high45 Ų4576.8 Ų76.823%0.23139%0.392CS..SBendtrans-69.8142.9177.261.6172.2000113.6T88 V94 L97T88-I92 HydrophobicContact CG2-CG2 4.27Å; T88-I92 WeakPolarHBondContact O-CG2 3.5Å; T88-I92 PolarHBondContact O-N 2.92Å; T88-I92 VanDerWaalsContact O-N 3.11Å; I92-V94 VanDerWaalsContact C-N 3.32Å; I92-V94 HydrophobicContact CD1-CG1 3.72Å; I92-V94 HydrophobicContact CG1-CG1 3.7Å; I92-V94 PolarHBondContact O-N 3.16Å; I92-L97 HydrophobicContact CD1-CD2 3.83Å
93D93.6Very high90.6Very high94 Ų9475.7 Ų75.750%0.50338%0.383SS..  trans-70.886.5163.1178.22.6000110.3C95 K96 L97D93-C95 PolarHBondContact O-N 3.23Å; D93-C95 WeakPolarHBondContact OD1-CA 3.26Å; D93-C95 WeakPolarHBondContact OD1-CB 3.48Å; D93-C95 PolarHBondContact OD1-N 3.28Å; D93-K96 HydrophobicContact CB-CB 4.31Å; D93-K96 VanDerWaalsContact CG-CB 3.47Å; D93-K96 PolarHBondContact O-N 3Å; D93-K96 PolarHBondContact OD1-N 3.17Å; D93-K96 WeakPolarHBondContact OD2-CB 3.32Å; D93-L97 WeakPolarHBondContact O-CB 3.42Å; D93-L97 PolarHBondContact O-N 2.97Å
94V94Very high90.7Very high1 Ų174.3 Ų74.31%0.00638%0.375CS..Hα-helixtrans-64.3-25.3172.4-65.20000113.1L15 A17 I28 I92 K96 W98L15-V94 HydrophobicContact CD2-CB 4.28Å; L15-V94 HydrophobicContact CD2-CG1 3.38Å; L15-V94 HydrophobicContact CD2-CG2 3.93Å; A17-V94 HydrophobicContact CB-CG2 3.39Å; I28-V94 HydrophobicContact CB-CG2 4.17Å; I28-V94 HydrophobicContact CD1-CB 4.4Å; I28-V94 HydrophobicContact CD1-CG2 4.2Å; I28-V94 HydrophobicContact CG2-CB 4.44Å; I28-V94 HydrophobicContact CG2-CG2 4.08Å; I92-V94 VanDerWaalsContact C-N 3.32Å; I92-V94 HydrophobicContact CD1-CG1 3.72Å; I92-V94 HydrophobicContact CG1-CG1 3.7Å; I92-V94 PolarHBondContact O-N 3.16Å; V94-K96 PolarHBondContact O-N 2.87Å; V94-W98 HydrophobicContact CB-CB 4.46Å; V94-W98 HydrophobicContact CB-CD2 4.15Å; V94-W98 HydrophobicContact CB-CG 3.94Å; V94-W98 HydrophobicContact CG1-CD2 4.09Å; V94-W98 HydrophobicContact CG1-CG 4.14Å; V94-W98 HydrophobicContact CG1-CZ2 4.08Å; V94-W98 VanDerWaalsContact O-CB 3.26Å; V94-W98 WeakPolarHBondContact O-CB 3.43Å; V94-W98 PolarHBondContact O-N 3.47Å
95C93.5Very high90.7Very high28 Ų2869.6 Ų69.619%0.18935%0.35CS..Hα-helixtrans-70.1-20.6179.4-60.40000112.6C19 D93 R99 Y106C19-C95 WeakPolarHBondContact CA-SG 3.27Å; C19-C95 HydrophobicContact CB-CB 3.74Å; C19-C95 WeakPolarHBondContact CB-SG 3.48Å; C19-C95 WeakPolarHBondContact SG-CA 3.48Å; C19-C95 WeakPolarHBondContact SG-CB 3.31Å; C19-C95 CovalentContact SG-SG 2.04Å; C19-C95 PolarHBondContact SG-SG 2.82Å; D93-C95 PolarHBondContact O-N 3.23Å; D93-C95 WeakPolarHBondContact OD1-CA 3.26Å; D93-C95 WeakPolarHBondContact OD1-CB 3.48Å; D93-C95 PolarHBondContact OD1-N 3.28Å; C95-R99 PolarHBondContact O-NE 2.83Å; C95-R99 VanDerWaalsContact O-NE 3.17Å; C95-R99 PolarHBondContact O-NH2 3Å; C95-Y106 WeakPolarHBondContact O-CE1 3.48Å
96K92.1Very high91Very high160 Ų16064.6 Ų64.670%0.69633%0.327SS*.Hα-helixtrans-94.9-55.9166.1-175.2177.7-178.2-179.10112.3D93 V94 W98 R99D93-K96 HydrophobicContact CB-CB 4.31Å; D93-K96 VanDerWaalsContact CG-CB 3.47Å; D93-K96 PolarHBondContact O-N 3Å; D93-K96 PolarHBondContact OD1-N 3.17Å; D93-K96 WeakPolarHBondContact OD2-CB 3.32Å; V94-K96 PolarHBondContact O-N 2.87Å; K96-W98 PolarHBondContact O-N 3.38Å; K96-R99 WeakPolarHBondContact O-CB 3.48Å; K96-R99 PolarHBondContact O-N 3.49Å
97L91.7Very high91.1Very high96 Ų9667.9 Ų67.950%0.50334%0.339SS..Hα-helixtrans-68.7-35.4-169.3-16973.6000113.8I92 D93 R99I92-L97 HydrophobicContact CD1-CD2 3.83Å; D93-L97 WeakPolarHBondContact O-CB 3.42Å; D93-L97 PolarHBondContact O-N 2.97Å; L97-R99 VanDerWaalsContact C-N 3.34Å
98W92.6Very high91.2Very high2 Ų259.2 Ų59.21%0.00831%0.306CS..THydrogen-bonded Turntrans-88.6-4.5179.2-64.627000112.2I28 S57 I59 V94 K96 Y106 R107 L109I28-W98 HydrophobicContact CD1-CB 4.4Å; I28-W98 HydrophobicContact CD1-CE3 4.31Å; I28-W98 HydrophobicContact CG2-CD2 4.38Å; I28-W98 HydrophobicContact CG2-CE3 3.68Å; I28-W98 HydrophobicContact CG2-CH2 4.04Å; I28-W98 HydrophobicContact CG2-CZ3 3.48Å; I28-W98 VanDerWaalsContact CG2-CZ3 3.48Å; S57-W98 WeakPolarHBondContact OG-CH2 3.37Å; I59-W98 HydrophobicContact CD1-CE3 3.95Å; I59-W98 HydrophobicContact CD1-CZ3 4.19Å; I59-W98 HydrophobicContact CG1-CE3 4.39Å; I59-W98 HydrophobicContact CG1-CZ3 4.27Å; V94-W98 HydrophobicContact CB-CB 4.46Å; V94-W98 HydrophobicContact CB-CD2 4.15Å; V94-W98 HydrophobicContact CB-CG 3.94Å; V94-W98 HydrophobicContact CG1-CD2 4.09Å; V94-W98 HydrophobicContact CG1-CG 4.14Å; V94-W98 HydrophobicContact CG1-CZ2 4.08Å; V94-W98 VanDerWaalsContact O-CB 3.26Å; V94-W98 WeakPolarHBondContact O-CB 3.43Å; V94-W98 PolarHBondContact O-N 3.47Å; K96-W98 PolarHBondContact O-N 3.38Å; W98-Y106 CarbonylContact O-C 3.4Å; W98-Y106 WeakPolarHBondContact O-CA 3.2Å; W98-R107 WeakPolarHBondContact O-CG 3.47Å; W98-R107 PolarHBondContact O-N 3.29Å; W98-L109 HydrophobicContact CD2-CB 4.11Å; W98-L109 VanDerWaalsContact CE2-CB 3.48Å; W98-L109 HydrophobicContact CH2-CB 4.2Å; W98-L109 HydrophobicContact CZ2-CB 3.55Å; W98-L109 HydrophobicContact CZ2-CD2 4.29Å
99R92.5Very high91.1Very high83 Ų8359.1 Ų59.131%0.31330%0.302SS..BIsolated β-bridgetrans-65.6136.3172-164.3176.7-64.1-159.6-7.6109.4C95 K96 L97 A101 T103 Y106C95-R99 PolarHBondContact O-NE 2.83Å; C95-R99 VanDerWaalsContact O-NE 3.17Å; C95-R99 PolarHBondContact O-NH2 3Å; K96-R99 WeakPolarHBondContact O-CB 3.48Å; K96-R99 PolarHBondContact O-N 3.49Å; L97-R99 VanDerWaalsContact C-N 3.34Å; R99-A101 WeakPolarHBondContact CG-O 3.46Å; R99-A101 PolarHBondContact O-N 2.83Å; R99-T103 WeakPolarHBondContact CD-O 3.43Å; R99-T103 VanDerWaalsContact CG-O 3.27Å; R99-T103 WeakPolarHBondContact CG-O 3.25Å; R99-Y106 HydrophobicContact CB-CD1 4.32Å; R99-Y106 HydrophobicContact CB-CE1 4.14Å; R99-Y106 HydrophobicContact CG-CE1 4.42Å; R99-Y106 PolarHBondContact NH2-OH 3.25Å; R99-Y106 VanDerWaalsContact NH2-OH 3.09Å
100Y90.8Very high91.2Very high15 Ų1559 Ų596%0.05930%0.302CS..  trans-90.5104.7175.9172.9-110.1000110.1T103 Y105 I158 V163 I196Y100-T103 HydrophobicContact CD1-CG2 4.34Å; Y100-T103 WeakPolarHBondContact O-CB 3.46Å; Y100-T103 WeakPolarHBondContact O-CG2 3.4Å; Y100-T103 PolarHBondContact O-N 3.16Å; Y100-T103 PolarHBondContact O-OG1 2.78Å; Y100-Y105 PolarHBondContact N-O 3.33Å; Y100-I158 HydrophobicContact CD1-CD1 4.19Å; Y100-I158 HydrophobicContact CG-CD1 3.88Å; Y100-V163 HydrophobicContact CE1-CB 4.5Å; Y100-V163 HydrophobicContact CE1-CG1 4.16Å; Y100-V163 HydrophobicContact CE1-CG2 4.02Å; Y100-V163 WeakPolarHBondContact OH-CG2 2.11Å; Y100-I196 HydrophobicContact CD1-CD1 3.62Å; Y100-I196 HydrophobicContact CD2-CD1 3.6Å; Y100-I196 HydrophobicContact CD2-CG1 4.04Å; Y100-I196 HydrophobicContact CE1-CD1 3.36Å; Y100-I196 HydrophobicContact CE1-CG1 4.29Å; Y100-I196 HydrophobicContact CE2-CD1 3.35Å; Y100-I196 HydrophobicContact CE2-CG1 3.5Å; Y100-I196 VanDerWaalsContact CE2-CG1 3.5Å; Y100-I196 HydrophobicContact CG-CD1 3.71Å
101A87.5Confident91Very high54 Ų5459.1 Ų59.145%0.44630%0.3SS..THydrogen-bonded Turntrans48.6-154.7-17400000111.5R99 T103R99-A101 WeakPolarHBondContact CG-O 3.46Å; R99-A101 PolarHBondContact O-N 2.83Å; A101-T103 PolarHBondContact O-N 3.02Å
102D87.3Confident90.6Very high171 Ų17162.1 Ų62.191%0.91432%0.318SS*.THydrogen-bonded Turntrans-81.656.3173.2-63.7-52.8000111.6
103T88.1Confident90.3Very high26 Ų2661.7 Ų61.716%0.1632%0.324CS..SBendtrans-126.7163.2177.781.60000113.8R99 Y100 A101 Y105 V163R99-T103 WeakPolarHBondContact CD-O 3.43Å; R99-T103 VanDerWaalsContact CG-O 3.27Å; R99-T103 WeakPolarHBondContact CG-O 3.25Å; Y100-T103 HydrophobicContact CD1-CG2 4.34Å; Y100-T103 WeakPolarHBondContact O-CB 3.46Å; Y100-T103 WeakPolarHBondContact O-CG2 3.4Å; Y100-T103 PolarHBondContact O-N 3.16Å; Y100-T103 PolarHBondContact O-OG1 2.78Å; A101-T103 PolarHBondContact O-N 3.02Å; T103-Y105 PolarHBondContact O-N 3.48Å; T103-Y105 VanDerWaalsContact O-N 3.17Å; T103-Y105 PolarHBondContact OG1-N 3.16Å; T103-Y105 VanDerWaalsContact OG1-N 3.15Å; T103-V163 HydrophobicContact CG2-CG1 3.42Å; T103-V163 VanDerWaalsContact CG2-CG1 3.42Å
104K88.2Confident90.1Very high109 Ų10958.1 Ų58.147%0.47431%0.305SS..SBendtrans-65-4.7169.767.1-165.4177.1-160.80115.2D21D21-K104 WeakPolarHBondContact OD2-CA 3.29Å; D21-K104 WeakPolarHBondContact OD2-CB 3.46Å
105Y88.7Confident90Very high58 Ų5859.7 Ų59.723%0.22731%0.312CS..  trans-94146.2-176.9-57-55.6000111.1Y100 T103 T129Y100-Y105 PolarHBondContact N-O 3.33Å; T103-Y105 PolarHBondContact O-N 3.48Å; T103-Y105 VanDerWaalsContact O-N 3.17Å; T103-Y105 PolarHBondContact OG1-N 3.16Å; T103-Y105 VanDerWaalsContact OG1-N 3.15Å; Y105-T129 HydrophobicContact CD2-CG2 4.11Å; Y105-T129 HydrophobicContact CG-CG2 4.39Å; Y105-T129 PolarHBondContact OH-O 3.02Å
106Y92.7Very high89.9Confident0 Ų062.2 Ų62.20%032%0.32CS..BIsolated β-bridgetrans-120.1138.7174.2-65.1-98.4000106.7C19 K26 I28 C95 W98 R99 V127C19-Y106 HydrophobicContact CB-CE1 3.93Å; K26-Y106 HydrophobicContact CD-CD2 3.45Å; K26-Y106 VanDerWaalsContact CD-CD2 3.45Å; K26-Y106 HydrophobicContact CD-CE2 3.64Å; K26-Y106 HydrophobicContact CD-CG 4.49Å; I28-Y106 HydrophobicContact CD1-CD1 3.7Å; I28-Y106 HydrophobicContact CD1-CE1 4.31Å; I28-Y106 HydrophobicContact CD1-CG 4.2Å; C95-Y106 WeakPolarHBondContact O-CE1 3.48Å; W98-Y106 CarbonylContact O-C 3.4Å; W98-Y106 WeakPolarHBondContact O-CA 3.2Å; R99-Y106 HydrophobicContact CB-CD1 4.32Å; R99-Y106 HydrophobicContact CB-CE1 4.14Å; R99-Y106 HydrophobicContact CG-CE1 4.42Å; R99-Y106 PolarHBondContact NH2-OH 3.25Å; R99-Y106 VanDerWaalsContact NH2-OH 3.09Å; Y106-V127 VanDerWaalsContact O-CB 3.26Å; Y106-V127 WeakPolarHBondContact O-CB 3.23Å; Y106-V127 WeakPolarHBondContact O-CG1 3.23Å; Y106-V127 VanDerWaalsContact O-CG2 3.23Å; Y106-V127 WeakPolarHBondContact O-CG2 3.37Å
107R92.8Very high89.7Confident86 Ų8658.5 Ų58.533%0.32530%0.302SS..PPolyproline II helixtrans-95152.2170.858.2178.8172.5-179.60.2109.5W98 I158W98-R107 WeakPolarHBondContact O-CG 3.47Å; W98-R107 PolarHBondContact O-N 3.29Å; R107-I158 HydrophobicContact CB-CB 3.71Å; R107-I158 HydrophobicContact CB-CD1 4.2Å; R107-I158 HydrophobicContact CB-CG2 3.8Å
108L93.4Very high89.5Confident1 Ų163 Ų631%0.00532%0.317CS..PPolyproline II helixtrans-69.7136.4163.8-61.3158.2000108.4I59 A73 V74 I110 V127 G157I59-L108 HydrophobicContact CD1-CD2 3.6Å; I59-L108 HydrophobicContact CD1-CG 4.02Å; I59-L108 HydrophobicContact CG1-CD2 3.76Å; A73-L108 VanDerWaalsContact C-CD1 3.44Å; A73-L108 WeakPolarHBondContact O-CD1 3.26Å; V74-L108 HydrophobicContact CB-CD1 4.1Å; V74-L108 HydrophobicContact CG1-CB 4.05Å; V74-L108 HydrophobicContact CG1-CD1 4.16Å; V74-L108 HydrophobicContact CG1-CD2 4.27Å; V74-L108 HydrophobicContact CG1-CG 4.39Å; L108-I110 HydrophobicContact CB-CD1 4.19Å; L108-I110 PolarHBondContact O-N 3.21Å; L108-V127 HydrophobicContact CG-CG2 4.5Å; L108-G157 PolarHBondContact N-O 2.87Å
109L89.1Confident89.3Confident67 Ų6768.1 Ų68.135%0.35134%0.339SS..PPolyproline II helixtrans-67.4128.5164.9-173.169.6000108.8W98W98-L109 HydrophobicContact CD2-CB 4.11Å; W98-L109 VanDerWaalsContact CE2-CB 3.48Å; W98-L109 HydrophobicContact CH2-CB 4.2Å; W98-L109 HydrophobicContact CZ2-CB 3.55Å; W98-L109 HydrophobicContact CZ2-CD2 4.29Å
110I89.4Confident89Confident25 Ų2573.2 Ų73.213%0.12837%0.367CS..  trans-115.4110.4174.1-51.2-61.1000106.8V74 L108 I114 E115 Y124 R155V74-I110 HydrophobicContact CB-CD1 4.33Å; V74-I110 HydrophobicContact CG1-CD1 4.06Å; V74-I110 HydrophobicContact CG2-CD1 4.14Å; L108-I110 HydrophobicContact CB-CD1 4.19Å; L108-I110 PolarHBondContact O-N 3.21Å; I110-I114 HydrophobicContact CG2-CG1 4.04Å; I110-E115 HydrophobicContact CG2-CB 3.74Å; I110-Y124 HydrophobicContact CD1-CD2 4.4Å; I110-Y124 HydrophobicContact CD1-CE2 3.92Å; I110-R155 HydrophobicContact CG1-CB 4.36Å; I110-R155 HydrophobicContact CG2-CB 4.29Å
111P87.2Confident88.9Confident39 Ų3974.1 Ų74.125%0.25337%0.372SS..  trans-56153.2176.4-28.233.7000114.1Y76 I114Y76-P111 HydrophobicContact CE1-CG 4.23Å; Y76-P111 HydrophobicContact CE2-CG 4.08Å; Y76-P111 WeakPolarHBondContact OH-CG 3.18Å; P111-I114 HydrophobicContact CB-CD1 4.37Å; P111-I114 HydrophobicContact CB-CG1 4.27Å; P111-I114 HydrophobicContact CG-CD1 4.19Å; P111-I114 WeakPolarHBondContact O-CG1 3.37Å; P111-I114 PolarHBondContact O-N 3.27Å
112V85.3Confident89.1Confident145 Ų14575.9 Ų75.988%0.87937%0.374SS*.THydrogen-bonded Turntrans-62.9136.3171.9-178.20000109.6
113G86.4Confident89.2Confident36 Ų3671.1 Ų71.137%0.37135%0.348SS..THydrogen-bonded Turntrans96.2-14-18000000114.6E115 K119G113-E115 WeakPolarHBondContact CA-OE2 3.46Å; G113-E115 PolarHBondContact N-OE2 3.01Å; G113-K119 WeakPolarHBondContact O-CD 3.34Å; G113-K119 WeakPolarHBondContact O-CE 3.15Å
114I89.4Confident89.4Confident18 Ų1871.7 Ų71.79%0.09235%0.348CS..THydrogen-bonded Turntrans-118.8-5.6176.176.9170.7000113.8Y76 I110 P111 K116 L121 R155Y76-I114 HydrophobicContact CD1-CD1 3.53Å; Y76-I114 HydrophobicContact CD2-CD1 3.53Å; Y76-I114 HydrophobicContact CE1-CD1 4.01Å; Y76-I114 HydrophobicContact CE2-CD1 4Å; Y76-I114 HydrophobicContact CG-CD1 3.27Å; I110-I114 HydrophobicContact CG2-CG1 4.04Å; P111-I114 HydrophobicContact CB-CD1 4.37Å; P111-I114 HydrophobicContact CB-CG1 4.27Å; P111-I114 HydrophobicContact CG-CD1 4.19Å; P111-I114 WeakPolarHBondContact O-CG1 3.37Å; P111-I114 PolarHBondContact O-N 3.27Å; I114-K116 VanDerWaalsContact C-N 3.33Å; I114-K116 PolarHBondContact O-N 2.8Å; I114-L121 HydrophobicContact CB-CD2 4.03Å; I114-L121 HydrophobicContact CD1-CD2 3.99Å; I114-L121 HydrophobicContact CG1-CD2 4.31Å; I114-R155 PolarHBondContact O-NH1 2.81Å
115E90.9Very high89.6Confident35 Ų3566.8 Ų66.816%0.16433%0.326CS..  trans-68.3-31.3179.182.9-63.4167.100112.4I110 G113 W117 G154 R155I110-E115 HydrophobicContact CG2-CB 3.74Å; G113-E115 WeakPolarHBondContact CA-OE2 3.46Å; G113-E115 PolarHBondContact N-OE2 3.01Å; E115-W117 PolarHBondContact O-N 2.95Å; E115-G154 CarbonylContact O-C 3.54Å; E115-G154 VanDerWaalsContact O-CA 3.25Å; E115-G154 WeakPolarHBondContact O-CA 3.21Å; E115-R155 WeakPolarHBondContact O-CG 3.31Å; E115-R155 PolarHBondContact O-N 3.49Å
116K90.6Very high89.7Confident80 Ų8064.1 Ų64.135%0.34832%0.316SS..SBendtrans-62.1126.8179.9-58.1-50-172.4-127.60111.4I114 K118 K119 Q153 R155I114-K116 VanDerWaalsContact C-N 3.33Å; I114-K116 PolarHBondContact O-N 2.8Å; K116-K118 HydrophobicContact CB-CG 4.36Å; K116-K118 PolarHBondContact O-N 2.81Å; K116-K119 WeakPolarHBondContact O-CB 3.46Å; K116-K119 PolarHBondContact O-N 2.88Å; K116-Q153 WeakPolarHBondContact CD-O 3.46Å; K116-Q153 PolarHBondContact NZ-O 3.35Å; K116-R155 PolarHBondContact O-NH1 3.13Å; K116-R155 VanDerWaalsContact O-NH1 3.16Å
117W88.6Confident89.7Confident83 Ų8364.2 Ų64.231%0.31432%0.317SS..THydrogen-bonded Turntrans-50.3-35.4-175.8-62.4107.6000114.7E115 K119 Y124 M150 N151 R155E115-W117 PolarHBondContact O-N 2.95Å; W117-K119 PolarHBondContact O-N 3.09Å; W117-Y124 HydrophobicContact CH2-CE1 4.2Å; W117-Y124 AromaticContact CZ3-CE1 3.91Å; W117-Y124 HydrophobicContact CZ3-CE1 3.91Å; W117-M150 HydrophobicContact CD2-CE 3.95Å; W117-M150 HydrophobicContact CD2-SD 4.12Å; W117-M150 VanDerWaalsContact CE2-SD 3.54Å; W117-M150 HydrophobicContact CE3-CE 3.97Å; W117-M150 HydrophobicContact CH2-CE 3.93Å; W117-M150 HydrophobicContact CH2-SD 4.23Å; W117-M150 HydrophobicContact CZ2-CE 3.92Å; W117-M150 HydrophobicContact CZ2-SD 3.63Å; W117-M150 HydrophobicContact CZ3-CE 3.95Å; W117-N151 HydrophobicContact CZ2-CB 4.31Å; W117-N151 PolarHBondContact NE1-O 3.3Å; W117-R155 HydrophobicContact CD2-CG 4.13Å; W117-R155 HydrophobicContact CE3-CG 3.7Å; W117-R155 HydrophobicContact CH2-CG 3.89Å; W117-R155 HydrophobicContact CZ2-CG 4.28Å; W117-R155 HydrophobicContact CZ3-CG 3.59Å; W117-R155 PolarHBondContact O-NH2 3.46Å
118K87.8Confident89.6Confident190 Ų19060.3 Ų60.383%0.82630%0.302SS*.THydrogen-bonded Turntrans-63.9-18.4176.469.5178.1-177.7179.40115.3K116K116-K118 HydrophobicContact CB-CG 4.36Å; K116-K118 PolarHBondContact O-N 2.81Å
119K88.3Confident89.3Confident109 Ų10961 Ų6147%0.47431%0.306SS..SBendtrans-76.7125.9172-71.3-89.8-175.6159.60108.5G113 K116 W117 R155G113-K119 WeakPolarHBondContact O-CD 3.34Å; G113-K119 WeakPolarHBondContact O-CE 3.15Å; K116-K119 WeakPolarHBondContact O-CB 3.46Å; K116-K119 PolarHBondContact O-N 2.88Å; W117-K119 PolarHBondContact O-N 3.09Å; K119-R155 VanDerWaalsContact O-CZ 3.27Å; K119-R155 PolarHBondContact O-NH1 3.03Å; K119-R155 PolarHBondContact O-NH2 2.92Å
120Q86Confident89Confident191 Ų19161.1 Ų61.189%0.89331%0.307SS*.  trans-72.8144.8171.7-66.7-178.3-3.900110.2
121L89.6Confident88.4Confident33 Ų3364.4 Ų64.417%0.17333%0.331CS..  trans-125.8150.8174.1-53.9178.5000107.5V74 I114 L123 Y124 R155V74-L121 HydrophobicContact CG2-CD1 3.98Å; I114-L121 HydrophobicContact CB-CD2 4.03Å; I114-L121 HydrophobicContact CD1-CD2 3.99Å; I114-L121 HydrophobicContact CG1-CD2 4.31Å; L121-L123 VanDerWaalsContact C-N 3.3Å; L121-Y124 HydrophobicContact CD1-CD2 4.03Å; L121-Y124 HydrophobicContact CD1-CG 4.19Å; L121-R155 VanDerWaalsContact CD1-CD 3.44Å
122L90.1Very high88Confident92 Ų9265.1 Ų65.148%0.48234%0.336SS..SBendtrans-69.1-33.1178.1-62.5172.4000111.8I35 A54 C75 I77I35-L122 HydrophobicContact CD1-CD1 3.36Å; A54-L122 HydrophobicContact CB-CD1 3.6Å; C75-L122 HydrophobicContact CB-CB 4Å; C75-L122 WeakPolarHBondContact O-CB 3.33Å; C75-L122 PolarHBondContact O-N 3.05Å; I77-L122 HydrophobicContact CD1-CD1 4.48Å; I77-L122 HydrophobicContact CD1-CD2 4.06Å; I77-L122 HydrophobicContact CD1-CG 4.48Å; I77-L122 HydrophobicContact CG1-CD1 3.86Å; I77-L122 HydrophobicContact CG1-CD2 4.27Å; I77-L122 HydrophobicContact CG1-CG 4.15Å
123L90.9Very high87.5Confident70 Ų7058.3 Ų58.337%0.36630%0.295SS..EExtended strand (participates in β ladder)trans-149.1138173.8177.962000108.6A73 V74 C75 L121A73-L123 HydrophobicContact CB-CD2 3.76Å; V74-L123 CarbonylContact C-O 3.43Å; V74-L123 VanDerWaalsContact CA-O 3.31Å; V74-L123 WeakPolarHBondContact CA-O 3.36Å; V74-L123 WeakPolarHBondContact CG2-O 2.94Å; C75-L123 HydrophobicContact CB-CB 3.92Å; C75-L123 PolarHBondContact N-O 3.43Å; C75-L123 PolarHBondContact O-N 2.92Å; C75-L123 VanDerWaalsContact O-N 3.16Å; L121-L123 VanDerWaalsContact C-N 3.3Å
124Y91.2Very high87Confident39 Ų3958.3 Ų58.315%0.15328%0.284CS..EExtended strand (participates in β ladder)trans-142.4107.6166.7-177.7-112.6000109.8V74 I110 W117 L121 P126 R155 G157V74-Y124 HydrophobicContact CB-CD2 4.39Å; V74-Y124 HydrophobicContact CG2-CD2 4.09Å; I110-Y124 HydrophobicContact CD1-CD2 4.4Å; I110-Y124 HydrophobicContact CD1-CE2 3.92Å; W117-Y124 HydrophobicContact CH2-CE1 4.2Å; W117-Y124 AromaticContact CZ3-CE1 3.91Å; W117-Y124 HydrophobicContact CZ3-CE1 3.91Å; L121-Y124 HydrophobicContact CD1-CD2 4.03Å; L121-Y124 HydrophobicContact CD1-CG 4.19Å; Y124-P126 HydrophobicContact CD1-CG 4.37Å; Y124-P126 HydrophobicContact CE1-CB 4.18Å; Y124-P126 HydrophobicContact CE1-CG 3.74Å; Y124-P126 HydrophobicContact CE2-CB 4.31Å; Y124-R155 HydrophobicContact CD1-CG 4.44Å; Y124-R155 HydrophobicContact CE1-CB 4.43Å; Y124-R155 HydrophobicContact CE1-CG 3.88Å; Y124-R155 HydrophobicContact CE2-CB 3.84Å; Y124-R155 HydrophobicContact CE2-CG 3.96Å; Y124-R155 WeakPolarHBondContact OH-CB 3.31Å; Y124-G157 PolarHBondContact OH-N 2.97Å
125Y92.1Very high86.2Confident5 Ų564 Ų642%0.0231%0.31CS..EExtended strand (participates in β ladder)trans-130.379.7-178.9-169.7-92.9000108L70 G72 A73 R134 L137 M138 M141L70-Y125 HydrophobicContact CD1-CD1 4.43Å; L70-Y125 HydrophobicContact CD2-CD1 3.55Å; L70-Y125 HydrophobicContact CD2-CE1 3.63Å; L70-Y125 HydrophobicContact CD2-CG 4.09Å; L70-Y125 HydrophobicContact CG-CD1 3.86Å; L70-Y125 HydrophobicContact CG-CE1 3.84Å; G72-Y125 CarbonylContact C-O 3.54Å; G72-Y125 VanDerWaalsContact CA-O 3.23Å; G72-Y125 WeakPolarHBondContact CA-O 3.28Å; A73-Y125 PolarHBondContact N-O 3.3Å; A73-Y125 CarbonylContact O-C 3.6Å; A73-Y125 WeakPolarHBondContact O-CA 3.42Å; A73-Y125 PolarHBondContact O-N 2.97Å; Y125-R134 WeakPolarHBondContact OH-CG 3.37Å; Y125-L137 HydrophobicContact CD1-CD2 4.25Å; Y125-L137 HydrophobicContact CD2-CD1 4.11Å; Y125-L137 HydrophobicContact CD2-CD2 3.54Å; Y125-L137 HydrophobicContact CD2-CG 3.78Å; Y125-L137 HydrophobicContact CE1-CD2 4.12Å; Y125-L137 HydrophobicContact CE2-CD1 4.34Å; Y125-L137 HydrophobicContact CE2-CD2 3.4Å; Y125-L137 HydrophobicContact CE2-CG 3.54Å; Y125-L137 HydrophobicContact CG-CD2 3.96Å; Y125-M138 HydrophobicContact CE2-CG 4.27Å; Y125-M138 WeakPolarHBondContact OH-CE 3.47Å; Y125-M141 HydrophobicContact CD2-CE 3.86Å; Y125-M141 HydrophobicContact CD2-SD 3.7Å; Y125-M141 HydrophobicContact CE2-CE 3.73Å; Y125-M141 HydrophobicContact CE2-SD 4.21Å
126P92.6Very high85.2Confident3 Ų365 Ų652%0.01932%0.315CS..PPolyproline II helixtrans-64.9150.6-174.226.2-34.5000112.3Y124 P128 L137 L159 M200Y124-P126 HydrophobicContact CD1-CG 4.37Å; Y124-P126 HydrophobicContact CE1-CB 4.18Å; Y124-P126 HydrophobicContact CE1-CG 3.74Å; Y124-P126 HydrophobicContact CE2-CB 4.31Å; P126-P128 WeakPolarHBondContact O-CD 3.4Å; P126-L137 HydrophobicContact CG-CD2 4.34Å; P126-L159 HydrophobicContact CB-CB 3.93Å; P126-L159 HydrophobicContact CG-CB 3.86Å; P126-L159 HydrophobicContact CG-CD2 4.2Å; P126-M200 HydrophobicContact CG-CE 4.44Å
127V91.6Very high84.3Confident2 Ų261.4 Ų61.41%0.01230%0.299CS..EExtended strand (participates in β ladder)trans-69.4121.7-179.3179.90000110.5I59 D71 Y106 L108 G157 I158 L159I59-V127 HydrophobicContact CD1-CG2 4Å; D71-V127 WeakPolarHBondContact O-CA 3.41Å; Y106-V127 VanDerWaalsContact O-CB 3.26Å; Y106-V127 WeakPolarHBondContact O-CB 3.23Å; Y106-V127 WeakPolarHBondContact O-CG1 3.23Å; Y106-V127 VanDerWaalsContact O-CG2 3.23Å; Y106-V127 WeakPolarHBondContact O-CG2 3.37Å; L108-V127 HydrophobicContact CG-CG2 4.5Å; V127-G157 PolarHBondContact N-O 3.16Å; V127-I158 HydrophobicContact CB-CG1 4.38Å; V127-I158 CarbonylContact O-C 3.56Å; V127-I158 WeakPolarHBondContact O-CA 3.43Å; V127-I158 VanDerWaalsContact O-CG1 3.24Å; V127-I158 WeakPolarHBondContact O-CG1 3.38Å; V127-L159 PolarHBondContact O-N 3.32Å
128P90.1Very high83.4Confident4 Ų462.9 Ų62.93%0.02631%0.311CS..EExtended strand (participates in β ladder)trans-82.5132.717931-32.2000111.6D71 P126 D130 M133 R134 L159D71-P128 WeakPolarHBondContact O-CD 3.4Å; P126-P128 WeakPolarHBondContact O-CD 3.4Å; P128-D130 VanDerWaalsContact C-N 3.28Å; P128-D130 PolarHBondContact O-N 3.47Å; P128-M133 HydrophobicContact CB-CB 3.97Å; P128-R134 HydrophobicContact CB-CB 4.49Å; P128-R134 HydrophobicContact CG-CB 3.87Å; P128-R134 HydrophobicContact CG-CG 4.17Å; P128-L159 WeakPolarHBondContact CA-O 3.26Å; P128-L159 HydrophobicContact CB-CD2 3.87Å; P128-L159 HydrophobicContact CB-CG 4.07Å
129T88.6Confident82.4Confident14 Ų1461.1 Ų61.19%0.08630%0.303CS..SBendtrans-80.4-6.6176.9690000113.8Y105 I158 L159 G162 I196Y105-T129 HydrophobicContact CD2-CG2 4.11Å; Y105-T129 HydrophobicContact CG-CG2 4.39Å; Y105-T129 PolarHBondContact OH-O 3.02Å; T129-I158 HydrophobicContact CG2-CD1 3.9Å; T129-I158 HydrophobicContact CG2-CG1 3.82Å; T129-L159 PolarHBondContact N-O 2.67Å; T129-L159 PolarHBondContact OG1-O 3.3Å; T129-G162 PolarHBondContact OG1-N 2.84Å; T129-I196 HydrophobicContact CG2-CD1 4.33Å
130D83.1Confident81.2Confident70 Ų7056.3 Ų56.337%0.37428%0.283SS..SBendtrans-132.7148.3176-169.9-87.7000110.2P128 S132 M133P128-D130 VanDerWaalsContact C-N 3.28Å; P128-D130 PolarHBondContact O-N 3.47Å; D130-S132 VanDerWaalsContact C-N 3.34Å; D130-S132 PolarHBondContact O-N 2.85Å; D130-S132 VanDerWaalsContact OD1-CB 3.26Å; D130-S132 WeakPolarHBondContact OD1-CB 3.37Å; D130-S132 PolarHBondContact OD1-N 2.8Å; D130-S132 PolarHBondContact OD1-OG 2.87Å; D130-M133 HydrophobicContact CB-CE 3.32Å
131P76.4Confident80.1Confident95 Ų9551.4 Ų51.462%0.61726%0.261SS*.Hα-helixtrans-57.9-37.8174.1-26.937000115.4R134P131-R134 WeakPolarHBondContact O-CB 3.3Å; P131-R134 PolarHBondContact O-N 2.95Å
132S78.4Confident78.4Confident53 Ų5353.8 Ų53.837%0.37129%0.294SS..Hα-helixtrans-60.5-55.1-173.657.60000112.5D130 R134 Q135 Y199D130-S132 VanDerWaalsContact C-N 3.34Å; D130-S132 PolarHBondContact O-N 2.85Å; D130-S132 VanDerWaalsContact OD1-CB 3.26Å; D130-S132 WeakPolarHBondContact OD1-CB 3.37Å; D130-S132 PolarHBondContact OD1-N 2.8Å; D130-S132 PolarHBondContact OD1-OG 2.87Å; S132-R134 PolarHBondContact O-N 3.17Å; S132-Q135 WeakPolarHBondContact O-CB 3.45Å; S132-Q135 PolarHBondContact O-N 3.26Å; S132-Y199 PolarHBondContact OG-OH 2.89Å
133M75Confident76.6Confident3 Ų355.1 Ų55.12%0.01530%0.298CS..Hα-helixtrans-49.1-27.5177.2-73.7-175.9-79.400114.8P128 D130 Q135 E136 L137 L159 G160 Y199P128-M133 HydrophobicContact CB-CB 3.97Å; D130-M133 HydrophobicContact CB-CE 3.32Å; M133-Q135 VanDerWaalsContact C-N 3.31Å; M133-Q135 PolarHBondContact O-N 3.34Å; M133-E136 PolarHBondContact O-N 2.87Å; M133-L137 WeakPolarHBondContact O-CB 3.46Å; M133-L137 PolarHBondContact O-N 2.77Å; M133-L159 HydrophobicContact CB-CD1 4.21Å; M133-L159 HydrophobicContact CB-CD2 4.14Å; M133-L159 HydrophobicContact CB-CG 4.08Å; M133-L159 WeakPolarHBondContact CE-O 3.33Å; M133-L159 HydrophobicContact CG-CD1 4.17Å; M133-L159 HydrophobicContact CG-CG 4.42Å; M133-L159 HydrophobicContact SD-CD1 3.46Å; M133-L159 WeakPolarHBondContact SD-CD1 3.07Å; M133-L159 HydrophobicContact SD-CG 3.66Å; M133-G160 WeakPolarHBondContact SD-CA 2.13Å; M133-Y199 HydrophobicContact CE-CE2 4.31Å; M133-Y199 HydrophobicContact CG-CD1 3.81Å; M133-Y199 HydrophobicContact CG-CD2 3.85Å; M133-Y199 HydrophobicContact CG-CE1 3.39Å; M133-Y199 HydrophobicContact CG-CE2 3.43Å; M133-Y199 VanDerWaalsContact CG-CE2 3.43Å; M133-Y199 HydrophobicContact CG-CG 4.03Å; M133-Y199 HydrophobicContact SD-CD2 3.61Å; M133-Y199 HydrophobicContact SD-CE1 4.41Å; M133-Y199 HydrophobicContact SD-CE2 3.36Å; M133-Y199 WeakPolarHBondContact SD-CE2 3.43Å; M133-Y199 HydrophobicContact SD-CG 4.23Å
134R74.8Confident74.7Confident36 Ų3657.4 Ų57.414%0.13632%0.32CS..Hα-helixtrans-65.1-37.1178.1-166.2-173.8-85.980.52111.9D71 Y125 P128 P131 S132 E136 M138D71-R134 IonicContact OD1-CZ 3.97Å; D71-R134 IonicContact OD1-NH2 2.7Å; D71-R134 PolarHBondContact OD1-NH2 3.15Å; Y125-R134 WeakPolarHBondContact OH-CG 3.37Å; P128-R134 HydrophobicContact CB-CB 4.49Å; P128-R134 HydrophobicContact CG-CB 3.87Å; P128-R134 HydrophobicContact CG-CG 4.17Å; P131-R134 WeakPolarHBondContact O-CB 3.3Å; P131-R134 PolarHBondContact O-N 2.95Å; S132-R134 PolarHBondContact O-N 3.17Å; R134-E136 VanDerWaalsContact C-N 3.34Å; R134-M138 VanDerWaalsContact O-CG 3.3Å; R134-M138 WeakPolarHBondContact O-CG 3.33Å; R134-M138 PolarHBondContact O-N 2.86Å
135Q72.7Confident72.9Confident137 Ų13759 Ų5964%0.6433%0.328SS*.Hα-helixtrans-71-34.8175.7-62.7-173.6-5.100111.1S132 M133 M138 K139S132-Q135 WeakPolarHBondContact O-CB 3.45Å; S132-Q135 PolarHBondContact O-N 3.26Å; M133-Q135 VanDerWaalsContact C-N 3.31Å; M133-Q135 PolarHBondContact O-N 3.34Å; Q135-M138 WeakPolarHBondContact O-CB 3.18Å; Q135-M138 PolarHBondContact O-N 3.35Å; Q135-K139 WeakPolarHBondContact O-CG 3.37Å; Q135-K139 PolarHBondContact O-N 2.91Å; Q135-K139 VanDerWaalsContact O-N 3.14Å
136E71Confident71Confident57 Ų5767.3 Ų67.327%0.26637%0.368SS..Hα-helixtrans-74.6-44.3-176.7-152.8161.1-160.200112.3M133 R134 M138 K139 T140 Y199M133-E136 PolarHBondContact O-N 2.87Å; R134-E136 VanDerWaalsContact C-N 3.34Å; E136-M138 PolarHBondContact O-N 3.19Å; E136-K139 WeakPolarHBondContact O-CB 3.38Å; E136-K139 PolarHBondContact O-N 3.22Å; E136-T140 PolarHBondContact O-N 2.66Å; E136-T140 PolarHBondContact O-OG1 3.01Å; E136-Y199 WeakPolarHBondContact OE2-CD1 3.26Å; E136-Y199 WeakPolarHBondContact OE2-CE1 3.48Å
137L71.4Confident69.6Low3 Ų367.8 Ų67.82%0.01637%0.371CS..Hα-helixtrans-55-35.3165.6166.559.1000112.1Y125 P126 M133 K139 M141 L159 M200Y125-L137 HydrophobicContact CD1-CD2 4.25Å; Y125-L137 HydrophobicContact CD2-CD1 4.11Å; Y125-L137 HydrophobicContact CD2-CD2 3.54Å; Y125-L137 HydrophobicContact CD2-CG 3.78Å; Y125-L137 HydrophobicContact CE1-CD2 4.12Å; Y125-L137 HydrophobicContact CE2-CD1 4.34Å; Y125-L137 HydrophobicContact CE2-CD2 3.4Å; Y125-L137 HydrophobicContact CE2-CG 3.54Å; Y125-L137 HydrophobicContact CG-CD2 3.96Å; P126-L137 HydrophobicContact CG-CD2 4.34Å; M133-L137 WeakPolarHBondContact O-CB 3.46Å; M133-L137 PolarHBondContact O-N 2.77Å; L137-K139 VanDerWaalsContact C-N 3.33Å; L137-M141 HydrophobicContact CD1-CG 3.94Å; L137-M141 WeakPolarHBondContact O-CB 3.46Å; L137-M141 WeakPolarHBondContact O-CG 3.24Å; L137-M141 PolarHBondContact O-N 2.86Å; L137-M141 VanDerWaalsContact O-N 3.14Å; L137-L159 HydrophobicContact CB-CD2 4.03Å; L137-L159 HydrophobicContact CD2-CD2 3.74Å; L137-L159 HydrophobicContact CG-CD2 4.47Å; L137-M200 HydrophobicContact CB-CE 3.86Å; L137-M200 HydrophobicContact CD1-CE 3.66Å; L137-M200 HydrophobicContact CD1-SD 3.73Å; L137-M200 HydrophobicContact CG-CE 4.17Å
138M69.3Low68.3Low115 Ų11574.7 Ų74.757%0.56740%0.403SS*.Hα-helixtrans-71.8-23.3175.1-77.6177.9165.200114Y125 R134 Q135 E136 M141Y125-M138 HydrophobicContact CE2-CG 4.27Å; Y125-M138 WeakPolarHBondContact OH-CE 3.47Å; R134-M138 VanDerWaalsContact O-CG 3.3Å; R134-M138 WeakPolarHBondContact O-CG 3.33Å; R134-M138 PolarHBondContact O-N 2.86Å; Q135-M138 WeakPolarHBondContact O-CB 3.18Å; Q135-M138 PolarHBondContact O-N 3.35Å; E136-M138 PolarHBondContact O-N 3.19Å; M138-M141 HydrophobicContact CG-CE 4.11Å
139K66.4Low67.5Low152 Ų15279.6 Ų79.666%0.66143%0.425SS*.Hα-helixtrans-83.7-35.5174.7-68.8170.8-177.6178.80112.7Q135 E136 L137Q135-K139 WeakPolarHBondContact O-CG 3.37Å; Q135-K139 PolarHBondContact O-N 2.91Å; Q135-K139 VanDerWaalsContact O-N 3.14Å; E136-K139 WeakPolarHBondContact O-CB 3.38Å; E136-K139 PolarHBondContact O-N 3.22Å; L137-K139 VanDerWaalsContact C-N 3.33Å
140T64.1Low67.2Low9 Ų981.2 Ų81.26%0.05543%0.432CS..Hα-helixtrans-93.9-11.2-172.653.70000114.1E136 G142 Q143 H145 M200 L201E136-T140 PolarHBondContact O-N 2.66Å; E136-T140 PolarHBondContact O-OG1 3.01Å; T140-G142 PolarHBondContact O-N 3.2Å; T140-G142 VanDerWaalsContact O-N 3.13Å; T140-Q143 WeakPolarHBondContact O-CB 3.49Å; T140-Q143 PolarHBondContact O-N 2.86Å; T140-H145 PolarHBondContact O-CE1 2.79Å; T140-M200 HydrophobicContact CG2-CB 4.33Å; T140-M200 WeakPolarHBondContact OG1-CB 3.34Å; T140-L201 VanDerWaalsContact CG2-OXT 3.31Å; T140-L201 WeakPolarHBondContact CG2-OXT 3.44Å
141M62.7Low67.3Low87 Ų8778.4 Ų78.443%0.42942%0.417SS..THydrogen-bonded Turntrans-53118.3176.7-102.6-167.5-63.900112.2Y125 L137 M138Y125-M141 HydrophobicContact CD2-CE 3.86Å; Y125-M141 HydrophobicContact CD2-SD 3.7Å; Y125-M141 HydrophobicContact CE2-CE 3.73Å; Y125-M141 HydrophobicContact CE2-SD 4.21Å; L137-M141 HydrophobicContact CD1-CG 3.94Å; L137-M141 WeakPolarHBondContact O-CB 3.46Å; L137-M141 WeakPolarHBondContact O-CG 3.24Å; L137-M141 PolarHBondContact O-N 2.86Å; L137-M141 VanDerWaalsContact O-N 3.14Å; M138-M141 HydrophobicContact CG-CE 4.11Å
142G53.5Low67.7Low84 Ų8477.5 Ų77.587%0.86641%0.412SS*.THydrogen-bonded Turntrans95.7-3.9179.400000115.2T140T140-G142 PolarHBondContact O-N 3.2Å; T140-G142 VanDerWaalsContact O-N 3.13Å
143Q54Low68.1Low119 Ų11980.1 Ų80.156%0.55642%0.418SS*.SBendtrans-91.1154.3173.5-56.1-173.215.100111.2T140 H145T140-Q143 WeakPolarHBondContact O-CB 3.49Å; T140-Q143 PolarHBondContact O-N 2.86Å; Q143-H145 PolarHBondContact O-N 2.72Å
144S49.8Very low68.9Low119 Ų11980.1 Ų80.183%0.83242%0.419SS*.  trans-78.290.5178.3550000110.7Q146S144-Q146 PolarHBondContact O-N 2.84Å
145H52.9Low69.7Low72 Ų7279.8 Ų79.833%0.33342%0.417SS..  trans-53.4122.4-171.7-54.1-59.2000114.2T140 Q143T140-H145 PolarHBondContact O-CE1 2.79Å; Q143-H145 PolarHBondContact O-N 2.72Å
146Q52.4Low70.5Confident180 Ų18074.2 Ų74.284%0.84140%0.395SS*.  trans-117.346.3164.3-72-167.9-19.900110.3S144 E148S144-Q146 PolarHBondContact O-N 2.84Å; Q146-E148 PolarHBondContact O-N 2.8Å
147S63.4Low71.6Confident12 Ų1271.5 Ų71.58%0.08438%0.382CS..  trans-61.4131.5164.9175.60000109.6M150 Y199S147-M150 VanDerWaalsContact O-CB 3.31Å; S147-M150 WeakPolarHBondContact O-CB 3.36Å; S147-M150 WeakPolarHBondContact O-CG 3.18Å; S147-Y199 WeakPolarHBondContact CB-O 3.27Å; S147-Y199 PolarHBondContact OG-O 3.38Å
148E65.4Low72.6Confident147 Ų14771.5 Ų71.569%0.68738%0.382SS*.SBendtrans-67.8-58.2-167-44.2179.4132.900113.4Q146 M150Q146-E148 PolarHBondContact O-N 2.8Å; E148-M150 VanDerWaalsContact C-N 3.29Å; E148-M150 WeakPolarHBondContact O-CB 3.49Å; E148-M150 PolarHBondContact O-N 3.41Å
149H73Confident73.5Confident107 Ų10766.2 Ų66.250%0.49536%0.356SS..SBendtrans-126.90-158.1-57.8125.9000112.9M197 Y198H149-M197 WeakPolarHBondContact O-CB 3.48Å; H149-M197 WeakPolarHBondContact O-CG 3.39Å; H149-Y198 HydrophobicContact CB-CD1 3.69Å; H149-Y198 HydrophobicContact CB-CE1 2.6Å; H149-Y198 WeakPolarHBondContact O-CD1 3.36Å; H149-Y198 WeakPolarHBondContact O-CD2 3.49Å; H149-Y198 WeakPolarHBondContact O-CE1 3.15Å; H149-Y198 WeakPolarHBondContact O-CE2 3.36Å; H149-Y198 PolarHBondContact O-OH 2.77Å
150M80.8Confident74.4Confident49 Ų4959 Ų5924%0.24133%0.325CS..  0134.60-123.6-58.3-175.100114.9W117 S147 E148 P152 Y198W117-M150 HydrophobicContact CD2-CE 3.95Å; W117-M150 HydrophobicContact CD2-SD 4.12Å; W117-M150 VanDerWaalsContact CE2-SD 3.54Å; W117-M150 HydrophobicContact CE3-CE 3.97Å; W117-M150 HydrophobicContact CH2-CE 3.93Å; W117-M150 HydrophobicContact CH2-SD 4.23Å; W117-M150 HydrophobicContact CZ2-CE 3.92Å; W117-M150 HydrophobicContact CZ2-SD 3.63Å; W117-M150 HydrophobicContact CZ3-CE 3.95Å; S147-M150 VanDerWaalsContact O-CB 3.31Å; S147-M150 WeakPolarHBondContact O-CB 3.36Å; S147-M150 WeakPolarHBondContact O-CG 3.18Å; E148-M150 VanDerWaalsContact C-N 3.29Å; E148-M150 WeakPolarHBondContact O-CB 3.49Å; E148-M150 PolarHBondContact O-N 3.41Å; M150-P152 VanDerWaalsContact O-CD 3.3Å; M150-P152 WeakPolarHBondContact O-CD 3.37Å; M150-Y198 VanDerWaalsContact CA-CE2 3.41Å; M150-Y198 HydrophobicContact CB-CD2 4.18Å; M150-Y198 WeakPolarHBondContact O-CD2 3.18Å; M150-Y198 WeakPolarHBondContact O-CE2 3.31Å
151N85.5Confident75.4Confident10 Ų1062.1 Ų62.15%0.05334%0.339CS..  trans-83.4113.7-156.9-177.9-6.9000111.2W117 Q153 G154 Y198W117-N151 HydrophobicContact CZ2-CB 4.31Å; W117-N151 PolarHBondContact NE1-O 3.3Å; N151-Q153 PolarHBondContact O-N 2.94Å; N151-Q153 PolarHBondContact OD1-N 2.77Å; N151-G154 WeakPolarHBondContact CB-O 3.24Å; N151-G154 VanDerWaalsContact CG-O 3.26Å; N151-G154 PolarHBondContact ND2-O 2.94Å; N151-G154 PolarHBondContact O-N 2.93Å; N151-G154 VanDerWaalsContact O-N 3.16Å; N151-Y198 HydrophobicContact CB-CD2 4.18Å
152P85.9Confident76.7Confident77 Ų7759.2 Ų59.250%0.533%0.331SS..THydrogen-bonded Turntrans-64.7-25.9-175.926.5-35.1000113.2M150 Y194M150-P152 VanDerWaalsContact O-CD 3.3Å; M150-P152 WeakPolarHBondContact O-CD 3.37Å; P152-Y194 HydrophobicContact CG-CD1 3.84Å; P152-Y194 HydrophobicContact CG-CE1 3.58Å
153Q87.3Confident78.3Confident107 Ų10759.5 Ų59.550%0.532%0.316SS..THydrogen-bonded Turntrans-78.2-29.3179.1-58.8-54.7-28.300112.8K116 N151K116-Q153 WeakPolarHBondContact CD-O 3.46Å; K116-Q153 PolarHBondContact NZ-O 3.35Å; N151-Q153 PolarHBondContact O-N 2.94Å; N151-Q153 PolarHBondContact OD1-N 2.77Å
154G90.1Very high79.9Confident3 Ų355.1 Ų55.13%0.03130%0.296CS..  trans128.7-158.3-179.400000114.1E115 N151 A156E115-G154 CarbonylContact O-C 3.54Å; E115-G154 VanDerWaalsContact O-CA 3.25Å; E115-G154 WeakPolarHBondContact O-CA 3.21Å; N151-G154 WeakPolarHBondContact CB-O 3.24Å; N151-G154 VanDerWaalsContact CG-O 3.26Å; N151-G154 PolarHBondContact ND2-O 2.94Å; N151-G154 PolarHBondContact O-N 2.93Å; N151-G154 VanDerWaalsContact O-N 3.16Å; G154-A156 PolarHBondContact O-N 3.25Å
155R91.7Very high81.6Confident29 Ų2957 Ų5711%0.10929%0.289CS..  trans-70.5120.6177.6-67.5173.2-176.4111.91.7111I110 I114 E115 K116 W117 K119 L121 Y124I110-R155 HydrophobicContact CG1-CB 4.36Å; I110-R155 HydrophobicContact CG2-CB 4.29Å; I114-R155 PolarHBondContact O-NH1 2.81Å; E115-R155 WeakPolarHBondContact O-CG 3.31Å; E115-R155 PolarHBondContact O-N 3.49Å; K116-R155 PolarHBondContact O-NH1 3.13Å; K116-R155 VanDerWaalsContact O-NH1 3.16Å; W117-R155 HydrophobicContact CD2-CG 4.13Å; W117-R155 HydrophobicContact CE3-CG 3.7Å; W117-R155 HydrophobicContact CH2-CG 3.89Å; W117-R155 HydrophobicContact CZ2-CG 4.28Å; W117-R155 HydrophobicContact CZ3-CG 3.59Å; W117-R155 PolarHBondContact O-NH2 3.46Å; K119-R155 VanDerWaalsContact O-CZ 3.27Å; K119-R155 PolarHBondContact O-NH1 3.03Å; K119-R155 PolarHBondContact O-NH2 2.92Å; L121-R155 VanDerWaalsContact CD1-CD 3.44Å; Y124-R155 HydrophobicContact CD1-CG 4.44Å; Y124-R155 HydrophobicContact CE1-CB 4.43Å; Y124-R155 HydrophobicContact CE1-CG 3.88Å; Y124-R155 HydrophobicContact CE2-CB 3.84Å; Y124-R155 HydrophobicContact CE2-CG 3.96Å; Y124-R155 WeakPolarHBondContact OH-CB 3.31Å
156A91Very high83.1Confident20 Ų2057.9 Ų57.917%0.16529%0.293CS..  trans-89.6-5.3175.700000114.1G154 I158G154-A156 PolarHBondContact O-N 3.25Å; A156-I158 HydrophobicContact CB-CG2 4.01Å; A156-I158 PolarHBondContact O-N 3.06Å
157G93.1Very high84.6Confident0 Ų052.6 Ų52.60%027%0.27CS..SBendtrans73.45.9-175.100000114.9L108 Y124 V127L108-G157 PolarHBondContact N-O 2.87Å; Y124-G157 PolarHBondContact OH-N 2.97Å; V127-G157 PolarHBondContact N-O 3.16Å
158I91.7Very high85.5Confident4 Ų452.6 Ų52.62%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-148.8152.5-175.7-169.6165.8000108.3Y100 R107 V127 T129 A156 I196Y100-I158 HydrophobicContact CD1-CD1 4.19Å; Y100-I158 HydrophobicContact CG-CD1 3.88Å; R107-I158 HydrophobicContact CB-CB 3.71Å; R107-I158 HydrophobicContact CB-CD1 4.2Å; R107-I158 HydrophobicContact CB-CG2 3.8Å; V127-I158 HydrophobicContact CB-CG1 4.38Å; V127-I158 CarbonylContact O-C 3.56Å; V127-I158 WeakPolarHBondContact O-CA 3.43Å; V127-I158 VanDerWaalsContact O-CG1 3.24Å; V127-I158 WeakPolarHBondContact O-CG1 3.38Å; T129-I158 HydrophobicContact CG2-CD1 3.9Å; T129-I158 HydrophobicContact CG2-CG1 3.82Å; A156-I158 HydrophobicContact CB-CG2 4.01Å; A156-I158 PolarHBondContact O-N 3.06Å; I158-I196 HydrophobicContact CB-CD1 4.27Å; I158-I196 HydrophobicContact CD1-CD1 3.67Å; I158-I196 HydrophobicContact CG1-CD1 3.84Å; I158-I196 HydrophobicContact CG2-CB 4.38Å; I158-I196 HydrophobicContact CG2-CD1 3.47Å; I158-I196 VanDerWaalsContact CG2-CD1 3.47Å; I158-I196 HydrophobicContact CG2-CG1 3.57Å; I158-I196 HydrophobicContact CG2-CG2 4.01Å
159L88.3Confident86.3Confident3 Ų349.9 Ų49.92%0.01626%0.26CS..EExtended strand (participates in β ladder)trans-134125.3-161148.164.8000109.8P126 V127 P128 T129 M133 L137 Y198 M200P126-L159 HydrophobicContact CB-CB 3.93Å; P126-L159 HydrophobicContact CG-CB 3.86Å; P126-L159 HydrophobicContact CG-CD2 4.2Å; V127-L159 PolarHBondContact O-N 3.32Å; P128-L159 WeakPolarHBondContact CA-O 3.26Å; P128-L159 HydrophobicContact CB-CD2 3.87Å; P128-L159 HydrophobicContact CB-CG 4.07Å; T129-L159 PolarHBondContact N-O 2.67Å; T129-L159 PolarHBondContact OG1-O 3.3Å; M133-L159 HydrophobicContact CB-CD1 4.21Å; M133-L159 HydrophobicContact CB-CD2 4.14Å; M133-L159 HydrophobicContact CB-CG 4.08Å; M133-L159 WeakPolarHBondContact CE-O 3.33Å; M133-L159 HydrophobicContact CG-CD1 4.17Å; M133-L159 HydrophobicContact CG-CG 4.42Å; M133-L159 HydrophobicContact SD-CD1 3.46Å; M133-L159 WeakPolarHBondContact SD-CD1 3.07Å; M133-L159 HydrophobicContact SD-CG 3.66Å; L137-L159 HydrophobicContact CB-CD2 4.03Å; L137-L159 HydrophobicContact CD2-CD2 3.74Å; L137-L159 HydrophobicContact CG-CD2 4.47Å; L159-Y198 WeakPolarHBondContact CD1-O 3.07Å; L159-M200 HydrophobicContact CD1-CE 3.87Å; L159-M200 HydrophobicContact CD2-CE 3.78Å; L159-M200 HydrophobicContact CG-CE 4.42Å
160G86.5Confident86.9Confident0 Ų045.5 Ų45.50%024%0.24CC..SBendtrans120.9-152.4174.100000115.6M133 I196M133-G160 WeakPolarHBondContact SD-CA 2.13Å; G160-I196 VanDerWaalsContact O-CG2 3.24Å; G160-I196 WeakPolarHBondContact O-CG2 3.37Å
161Q85.3Confident87.1Confident75 Ų7549.7 Ų49.735%0.3526%0.263SS..  trans-91-24.3-178.9-177.7171.3-28.600113V163 L164 K165 L167Q161-V163 PolarHBondContact O-N 2.92Å; Q161-V163 VanDerWaalsContact O-N 3.16Å; Q161-L164 HydrophobicContact CG-CB 4.39Å; Q161-L164 VanDerWaalsContact CG-O 3.27Å; Q161-L164 WeakPolarHBondContact CG-O 2.11Å; Q161-L164 PolarHBondContact NE2-O 2.88Å; Q161-L164 VanDerWaalsContact O-CB 3.31Å; Q161-L164 WeakPolarHBondContact O-CB 3.02Å; Q161-L164 PolarHBondContact O-N 3.19Å; Q161-K165 PolarHBondContact NE2-O 2.84Å; Q161-L167 HydrophobicContact CB-CD2 3.85Å; Q161-L167 HydrophobicContact CB-CG 4.22Å
162G88.4Confident86.9Confident26 Ų2653.2 Ų53.227%0.26828%0.28SS..THydrogen-bonded Turntrans59.9-117-179.500000113.3T129T129-G162 PolarHBondContact OG1-N 2.84Å
163V88.2Confident86.7Confident91 Ų9155.3 Ų55.355%0.55228%0.283SS*.THydrogen-bonded Turntrans-108.37.7173.9-58.60000112.9Y100 T103 Q161Y100-V163 HydrophobicContact CE1-CB 4.5Å; Y100-V163 HydrophobicContact CE1-CG1 4.16Å; Y100-V163 HydrophobicContact CE1-CG2 4.02Å; Y100-V163 WeakPolarHBondContact OH-CG2 2.11Å; T103-V163 HydrophobicContact CG2-CG1 3.42Å; T103-V163 VanDerWaalsContact CG2-CG1 3.42Å; Q161-V163 PolarHBondContact O-N 2.92Å; Q161-V163 VanDerWaalsContact O-N 3.16Å
164L86.3Confident86.5Confident26 Ų2653.6 Ų53.614%0.13628%0.277CS..SBendtrans-75160179-58.7-174.7000111Q161 I196 M197Q161-L164 HydrophobicContact CG-CB 4.39Å; Q161-L164 VanDerWaalsContact CG-O 3.27Å; Q161-L164 WeakPolarHBondContact CG-O 2.11Å; Q161-L164 PolarHBondContact NE2-O 2.88Å; Q161-L164 VanDerWaalsContact O-CB 3.31Å; Q161-L164 WeakPolarHBondContact O-CB 3.02Å; Q161-L164 PolarHBondContact O-N 3.19Å; L164-I196 VanDerWaalsContact CD1-O 3.31Å; L164-I196 WeakPolarHBondContact CD1-O 3.46Å; L164-M197 HydrophobicContact CD1-SD 3.79Å
165K86.2Confident86.2Confident160 Ų16057.7 Ų57.770%0.69630%0.303SS*.SBendtrans-77-29.9-177.3-170.7-174169.8-131.30112.2Q161 N170Q161-K165 PolarHBondContact NE2-O 2.84Å; K165-N170 PolarHBondContact N-OD1 3.26Å
166H85.4Confident85.8Confident90 Ų9059.9 Ų59.942%0.41732%0.316SS..SBendtrans-138.2152.1-178.3-57.6-68.5000110.6N170H166-N170 PolarHBondContact N-OD1 2.66Å; H166-N170 PolarHBondContact O-ND2 3.32Å
167L82.3Confident85.4Confident68 Ų6865.3 Ų65.336%0.35634%0.342SS..SBendtrans-68.5136.1145-63.4170.2000106.7Q161 Y199Q161-L167 HydrophobicContact CB-CD2 3.85Å; Q161-L167 HydrophobicContact CB-CG 4.22Å; L167-Y199 HydrophobicContact CD1-CD2 3.62Å; L167-Y199 HydrophobicContact CD1-CE2 3.67Å; L167-Y199 HydrophobicContact CD2-CD2 4.02Å; L167-Y199 HydrophobicContact CD2-CE2 4.3Å; L167-Y199 HydrophobicContact CG-CD2 4.5Å
168G82.9Confident84.9Confident12 Ų1269.3 Ų69.312%0.12436%0.363CS..SBendtrans117173.4-164.800000112.5N170 M197 Y198G168-N170 PolarHBondContact O-N 3.37Å; G168-N170 PolarHBondContact O-ND2 3.27Å; G168-M197 WeakPolarHBondContact O-CE 3.38Å; G168-Y198 VanDerWaalsContact CA-CE1 3.43Å; G168-Y198 VanDerWaalsContact CA-CZ 3.49Å; G168-Y198 VanDerWaalsContact CA-OH 3.27Å; G168-Y198 WeakPolarHBondContact CA-OH 3.48Å; G168-Y198 VanDerWaalsContact N-CE1 3.3Å
169E82.6Confident84.3Confident91 Ų9177.8 Ų77.843%0.42539%0.394SS..  trans-58.5132.3169.2-60.6-167.3166.100111.1Q192 Y194 Y198E169-Q192 PolarHBondContact OE1-NE2 3.43Å; E169-Q192 PolarHBondContact OE2-NE2 2.97Å; E169-Y194 HydrophobicContact CG-CE1 4.29Å; E169-Y194 PolarHBondContact OE1-OH 3.49Å; E169-Y198 PolarHBondContact N-OH 2.58Å
170N85.8Confident83.9Confident14 Ų1482 Ų828%0.07542%0.42CS..  trans-107100.5174.8-78.1-106000108.3K165 H166 G168 L193K165-N170 PolarHBondContact N-OD1 3.26Å; H166-N170 PolarHBondContact N-OD1 2.66Å; H166-N170 PolarHBondContact O-ND2 3.32Å; G168-N170 PolarHBondContact O-N 3.37Å; G168-N170 PolarHBondContact O-ND2 3.27Å; N170-L193 HydrophobicContact CB-CB 4.43Å; N170-L193 PolarHBondContact O-N 3.01Å
171L84.1Confident83Confident138 Ų13889.7 Ų89.772%0.72346%0.46SS*.EExtended strand (participates in β ladder)trans-79135.8-179.7-65.3171.4000111.5Q192L171-Q192 HydrophobicContact CD2-CG 3.6Å
172M82.3Confident82.3Confident84 Ų8489.8 Ų89.841%0.41447%0.473SS..EExtended strand (participates in β ladder)trans-122.4123172.4-174.3-178.4-168.200109.2L174 A191 L193M172-L174 HydrophobicContact CE-CD2 3.65Å; M172-L174 HydrophobicContact CG-CD2 4.46Å; M172-L174 HydrophobicContact CG-CG 4.4Å; M172-L174 HydrophobicContact SD-CD2 4.03Å; M172-L174 HydrophobicContact SD-CG 4.34Å; M172-A191 PolarHBondContact N-O 2.75Å; M172-A191 PolarHBondContact O-N 3.14Å; M172-L193 HydrophobicContact CB-CD1 4.15Å; M172-L193 HydrophobicContact CB-CG 4.32Å; M172-L193 HydrophobicContact SD-CD1 4.17Å
173E81.7Confident81.1Confident120 Ų12095.2 Ų95.256%0.56149%0.489SS*.EExtended strand (participates in β ladder)trans-86125.6166-69.5-164.5149.200109.9P175 K188E173-P175 WeakPolarHBondContact O-CD 3.04Å; E173-K188 IonicContact OE1-NZ 2.75Å; E173-K188 PolarHBondContact OE1-NZ 3.29Å; E173-K188 VanDerWaalsContact OE2-CE 3.24Å; E173-K188 WeakPolarHBondContact OE2-CE 3.27Å; E173-K188 IonicContact OE2-NZ 2.66Å; E173-K188 PolarHBondContact OE2-NZ 2.82Å
174L83Confident80.4Confident71 Ų7199.1 Ų99.137%0.37250%0.499SS..EExtended strand (participates in β ladder)trans-107.398.2172.7-69.9168.5000109M172 I176 V189 A191M172-L174 HydrophobicContact CE-CD2 3.65Å; M172-L174 HydrophobicContact CG-CD2 4.46Å; M172-L174 HydrophobicContact CG-CG 4.4Å; M172-L174 HydrophobicContact SD-CD2 4.03Å; M172-L174 HydrophobicContact SD-CG 4.34Å; L174-I176 PolarHBondContact O-N 3.47Å; L174-V189 HydrophobicContact CB-CB 4.28Å; L174-V189 PolarHBondContact N-O 3.33Å; L174-V189 PolarHBondContact O-N 3.44Å; L174-A191 HydrophobicContact CD1-CB 4.05Å
175P83.3Confident79.9Confident90 Ų90103.3 Ų103.358%0.58451%0.514SS*.EExtended strand (participates in β ladder)trans-75.2107174.828.9-32.7000110.7E173 L186 L187E173-P175 WeakPolarHBondContact O-CD 3.04Å; P175-L186 HydrophobicContact CB-CD1 3.77Å; P175-L187 CarbonylContact C-O 3.59Å; P175-L187 WeakPolarHBondContact CA-O 2.13Å
176I84.3Confident79.3Confident74 Ų74100.9 Ų100.938%0.37951%0.508SS..EExtended strand (participates in β ladder)trans-96.6108.8176.1-53-176.1000108.9L174 L178 L187 V189L174-I176 PolarHBondContact O-N 3.47Å; I176-L178 HydrophobicContact CG2-CD2 3.73Å; I176-L178 HydrophobicContact CG2-CG 4.05Å; I176-L178 PolarHBondContact O-N 2.93Å; I176-L187 HydrophobicContact CB-CB 4.13Å; I176-L187 PolarHBondContact N-O 2.91Å; I176-L187 PolarHBondContact O-N 3.28Å; I176-V189 HydrophobicContact CD1-CB 4.41Å; I176-V189 HydrophobicContact CD1-CG2 3.65Å; I176-V189 HydrophobicContact CG1-CG2 4.2Å
177L81.4Confident78.5Confident135 Ų135100.7 Ų100.771%0.70751%0.509SS*.EExtended strand (participates in β ladder)trans-84.3108.2173.1-75.1168.7000110.2Y185 L186L177-Y185 WeakPolarHBondContact CA-O 3.49Å; L177-L186 HydrophobicContact CD2-CB 4.06Å; L177-L186 HydrophobicContact CD2-CD1 3.81Å; L177-L186 HydrophobicContact CD2-CG 4.49Å; L177-L186 HydrophobicContact CG-CD1 4.13Å
178L82.5Confident77.7Confident84 Ų84103.7 Ų103.744%0.4452%0.52SS..EExtended strand (participates in β ladder)trans-98.8145.8175.2-59.8177.4000110.2I176 K184 Y185 L187I176-L178 HydrophobicContact CG2-CD2 3.73Å; I176-L178 HydrophobicContact CG2-CG 4.05Å; I176-L178 PolarHBondContact O-N 2.93Å; L178-K184 WeakPolarHBondContact O-CA 3.31Å; L178-Y185 PolarHBondContact N-O 2.91Å; L178-Y185 PolarHBondContact O-N 3.26Å; L178-L187 HydrophobicContact CD1-CD1 4.49Å
179R79.7Confident77.1Confident181 Ų181105.8 Ų105.868%0.68353%0.53SS*.EExtended strand (participates in β ladder)trans-133123173.4-168.6-172.2-174.9-162.1-0.5110K183 K184R179-K183 VanDerWaalsContact CA-O 3.31Å; R179-K183 WeakPolarHBondContact CA-O 3.3Å; R179-K183 VanDerWaalsContact CG-O 3.27Å; R179-K183 WeakPolarHBondContact CG-O 3.24Å; R179-K184 HydrophobicContact CG-CG 4.32Å
180V79Confident76Confident93 Ų93104.7 Ų104.756%0.56454%0.543SS*.EExtended strand (participates in β ladder)trans-127.1115.9175.1-177.30000107.3K183V180-K183 PolarHBondContact N-O 3.27Å; V180-K183 PolarHBondContact O-N 2.97Å; V180-K183 VanDerWaalsContact O-N 3.14Å
181I67.8Low74.9Confident161 Ų161105.5 Ų105.583%0.82655%0.551SS**THydrogen-bonded Turntrans3586178.6-50.7-178.3000113K183I181-K183 PolarHBondContact O-N 3.14Å
182A71Confident73.8Confident77 Ų77103.2 Ų103.264%0.63654%0.537SS*.THydrogen-bonded Turntrans63.8-39.8-173.600000116.6
183K63.5Low72.5Confident139 Ų139103 Ų10360%0.60454%0.537SS*.EExtended strand (participates in β ladder)trans-68.3136.3-179.2-62.7-178.5-179178.10111.8R179 V180 I181 Y185R179-K183 VanDerWaalsContact CA-O 3.31Å; R179-K183 WeakPolarHBondContact CA-O 3.3Å; R179-K183 VanDerWaalsContact CG-O 3.27Å; R179-K183 WeakPolarHBondContact CG-O 3.24Å; V180-K183 PolarHBondContact N-O 3.27Å; V180-K183 PolarHBondContact O-N 2.97Å; V180-K183 VanDerWaalsContact O-N 3.14Å; I181-K183 PolarHBondContact O-N 3.14Å; K183-Y185 HydrophobicContact CB-CE2 3.7Å; K183-Y185 WeakPolarHBondContact CD-OH 3.4Å
184K73.8Confident71.1Confident173 Ų17399.9 Ų99.975%0.75252%0.521SS*.EExtended strand (participates in β ladder)trans-106.2142.6172.8-66.1-179.2-179.7179.10109.5L178 R179L178-K184 WeakPolarHBondContact O-CA 3.31Å; R179-K184 HydrophobicContact CG-CG 4.32Å
185Y76.4Confident69.3Low115 Ų115100.8 Ų100.845%0.45153%0.525SS..EExtended strand (participates in β ladder)trans-131.9139.2176.8-59.2-93000108.9L177 L178 K183L177-Y185 WeakPolarHBondContact CA-O 3.49Å; L178-Y185 PolarHBondContact N-O 2.91Å; L178-Y185 PolarHBondContact O-N 3.26Å; K183-Y185 HydrophobicContact CB-CE2 3.7Å; K183-Y185 WeakPolarHBondContact CD-OH 3.4Å
186L71.8Confident67.3Low109 Ų10996.5 Ų96.557%0.57150%0.498SS*.EExtended strand (participates in β ladder)trans-107107170.3175.161.6000108.3P175 L177P175-L186 HydrophobicContact CB-CD1 3.77Å; L177-L186 HydrophobicContact CD2-CB 4.06Å; L177-L186 HydrophobicContact CD2-CD1 3.81Å; L177-L186 HydrophobicContact CD2-CG 4.49Å; L177-L186 HydrophobicContact CG-CD1 4.13Å
187L70.3Confident65.2Low86 Ų8693.2 Ų93.245%0.4548%0.481SS..EExtended strand (participates in β ladder)trans-82.8132.7163.8-123.375.6000108.3P175 I176 L178 V189P175-L187 CarbonylContact C-O 3.59Å; P175-L187 WeakPolarHBondContact CA-O 2.13Å; I176-L187 HydrophobicContact CB-CB 4.13Å; I176-L187 PolarHBondContact N-O 2.91Å; I176-L187 PolarHBondContact O-N 3.28Å; L178-L187 HydrophobicContact CD1-CD1 4.49Å; L187-V189 HydrophobicContact CD2-CG2 4.2Å
188K64.3Low63.5Low131 Ų13188.7 Ų88.757%0.5746%0.455SS*.EExtended strand (participates in β ladder)trans-98.3117.4159.6-81-170.4161.6-157.50108.1E173E173-K188 IonicContact OE1-NZ 2.75Å; E173-K188 PolarHBondContact OE1-NZ 3.29Å; E173-K188 VanDerWaalsContact OE2-CE 3.24Å; E173-K188 WeakPolarHBondContact OE2-CE 3.27Å; E173-K188 IonicContact OE2-NZ 2.66Å; E173-K188 PolarHBondContact OE2-NZ 2.82Å
189V70.3Confident61Low56 Ų5687.9 Ų87.934%0.33945%0.446SS..EExtended strand (participates in β ladder)trans-102.7119.7170178.70000108.2L174 I176 L187L174-V189 HydrophobicContact CB-CB 4.28Å; L174-V189 PolarHBondContact N-O 3.33Å; L174-V189 PolarHBondContact O-N 3.44Å; I176-V189 HydrophobicContact CD1-CB 4.41Å; I176-V189 HydrophobicContact CD1-CG2 3.65Å; I176-V189 HydrophobicContact CG1-CG2 4.2Å; L187-V189 HydrophobicContact CD2-CG2 4.2Å
190G59.5Low58.7Low68 Ų6880 Ų8070%0.70142%0.418SS*.EExtended strand (participates in β ladder)trans-81.7131.3170.100000110.5
191A63.1Low56.4Low30 Ų3081.7 Ų81.725%0.24842%0.422CS..EExtended strand (participates in β ladder)trans-124.2130.8172.100000110.2M172 L174M172-A191 PolarHBondContact N-O 2.75Å; M172-A191 PolarHBondContact O-N 3.14Å; L174-A191 HydrophobicContact CD1-CB 4.05Å
192Q60Low55.8Low90 Ų9077.7 Ų77.742%0.42140%0.402SS..EExtended strand (participates in β ladder)trans-92.1120.3172.9-76.7166.1-33.600109.9E169 L171 Y194E169-Q192 PolarHBondContact OE1-NE2 3.43Å; E169-Q192 PolarHBondContact OE2-NE2 2.97Å; L171-Q192 HydrophobicContact CD2-CG 3.6Å; Q192-Y194 HydrophobicContact CB-CD2 3.92Å; Q192-Y194 HydrophobicContact CB-CE2 3.36Å; Q192-Y194 HydrophobicContact CG-CE2 4.2Å; Q192-Y194 PolarHBondContact NE2-OH 3.03Å; Q192-Y194 PolarHBondContact O-N 3.33Å; Q192-Y194 PolarHBondContact OE1-OH 2.81Å
193L55.6Low55Low79 Ų7977.7 Ų77.741%0.41439%0.39SS..  trans-88.278.5179.8-67.9176000111.9N170 M172 N195N170-L193 HydrophobicContact CB-CB 4.43Å; N170-L193 PolarHBondContact O-N 3.01Å; M172-L193 HydrophobicContact CB-CD1 4.15Å; M172-L193 HydrophobicContact CB-CG 4.32Å; M172-L193 HydrophobicContact SD-CD1 4.17Å; L193-N195 PolarHBondContact O-N 2.81Å
194Y51.9Low54.6Low56 Ų5674.3 Ų74.322%0.2238%0.378CS..  trans-79.1102.7169.3-55-78.1000110.7P152 E169 Q192P152-Y194 HydrophobicContact CG-CD1 3.84Å; P152-Y194 HydrophobicContact CG-CE1 3.58Å; E169-Y194 HydrophobicContact CG-CE1 4.29Å; E169-Y194 PolarHBondContact OE1-OH 3.49Å; Q192-Y194 HydrophobicContact CB-CD2 3.92Å; Q192-Y194 HydrophobicContact CB-CE2 3.36Å; Q192-Y194 HydrophobicContact CG-CE2 4.2Å; Q192-Y194 PolarHBondContact NE2-OH 3.03Å; Q192-Y194 PolarHBondContact O-N 3.33Å; Q192-Y194 PolarHBondContact OE1-OH 2.81Å
195N46.1Very low53.4Low89 Ų8968.5 Ų68.548%0.47636%0.356SS..SBendtrans-144.1-25172.5-109.1-66.9000116.7L193L193-N195 PolarHBondContact O-N 2.81Å
196I41.5Very low52Low0 Ų065.6 Ų65.60%035%0.35CS..SBendtrans-148.3120.9158.9-52-177.1000110.1Y100 T129 I158 G160 L164Y100-I196 HydrophobicContact CD1-CD1 3.62Å; Y100-I196 HydrophobicContact CD2-CD1 3.6Å; Y100-I196 HydrophobicContact CD2-CG1 4.04Å; Y100-I196 HydrophobicContact CE1-CD1 3.36Å; Y100-I196 HydrophobicContact CE1-CG1 4.29Å; Y100-I196 HydrophobicContact CE2-CD1 3.35Å; Y100-I196 HydrophobicContact CE2-CG1 3.5Å; Y100-I196 VanDerWaalsContact CE2-CG1 3.5Å; Y100-I196 HydrophobicContact CG-CD1 3.71Å; T129-I196 HydrophobicContact CG2-CD1 4.33Å; I158-I196 HydrophobicContact CB-CD1 4.27Å; I158-I196 HydrophobicContact CD1-CD1 3.67Å; I158-I196 HydrophobicContact CG1-CD1 3.84Å; I158-I196 HydrophobicContact CG2-CB 4.38Å; I158-I196 HydrophobicContact CG2-CD1 3.47Å; I158-I196 VanDerWaalsContact CG2-CD1 3.47Å; I158-I196 HydrophobicContact CG2-CG1 3.57Å; I158-I196 HydrophobicContact CG2-CG2 4.01Å; G160-I196 VanDerWaalsContact O-CG2 3.24Å; G160-I196 WeakPolarHBondContact O-CG2 3.37Å; L164-I196 VanDerWaalsContact CD1-O 3.31Å; L164-I196 WeakPolarHBondContact CD1-O 3.46Å
197M40.8Very low50.7Low5 Ų562.7 Ų62.73%0.02534%0.335CS..  trans-157.4172.1148.3-66.89666.500107.8H149 L164 G168H149-M197 WeakPolarHBondContact O-CB 3.48Å; H149-M197 WeakPolarHBondContact O-CG 3.39Å; L164-M197 HydrophobicContact CD1-SD 3.79Å; G168-M197 WeakPolarHBondContact O-CE 3.38Å
198Y44.1Very low49.3Very low40 Ų4061.1 Ų61.116%0.15733%0.327CS..  cis-120.2-177.60.4-80.5-101000110.4H149 M150 N151 L159 G168 E169H149-Y198 HydrophobicContact CB-CD1 3.69Å; H149-Y198 HydrophobicContact CB-CE1 2.6Å; H149-Y198 WeakPolarHBondContact O-CD1 3.36Å; H149-Y198 WeakPolarHBondContact O-CD2 3.49Å; H149-Y198 WeakPolarHBondContact O-CE1 3.15Å; H149-Y198 WeakPolarHBondContact O-CE2 3.36Å; H149-Y198 PolarHBondContact O-OH 2.77Å; M150-Y198 VanDerWaalsContact CA-CE2 3.41Å; M150-Y198 HydrophobicContact CB-CD2 4.18Å; M150-Y198 WeakPolarHBondContact O-CD2 3.18Å; M150-Y198 WeakPolarHBondContact O-CE2 3.31Å; N151-Y198 HydrophobicContact CB-CD2 4.18Å; L159-Y198 WeakPolarHBondContact CD1-O 3.07Å; G168-Y198 VanDerWaalsContact CA-CE1 3.43Å; G168-Y198 VanDerWaalsContact CA-CZ 3.49Å; G168-Y198 VanDerWaalsContact CA-OH 3.27Å; G168-Y198 WeakPolarHBondContact CA-OH 3.48Å; G168-Y198 VanDerWaalsContact N-CE1 3.3Å; E169-Y198 PolarHBondContact N-OH 2.58Å
199Y31.4Very low48.1Very low68 Ų6855.7 Ų55.727%0.26731%0.308SS..  trans-59.6167153.4-89-122.2000111.5S132 M133 E136 S147 L167S132-Y199 PolarHBondContact OG-OH 2.89Å; M133-Y199 HydrophobicContact CE-CE2 4.31Å; M133-Y199 HydrophobicContact CG-CD1 3.81Å; M133-Y199 HydrophobicContact CG-CD2 3.85Å; M133-Y199 HydrophobicContact CG-CE1 3.39Å; M133-Y199 HydrophobicContact CG-CE2 3.43Å; M133-Y199 VanDerWaalsContact CG-CE2 3.43Å; M133-Y199 HydrophobicContact CG-CG 4.03Å; M133-Y199 HydrophobicContact SD-CD2 3.61Å; M133-Y199 HydrophobicContact SD-CE1 4.41Å; M133-Y199 HydrophobicContact SD-CE2 3.36Å; M133-Y199 WeakPolarHBondContact SD-CE2 3.43Å; M133-Y199 HydrophobicContact SD-CG 4.23Å; E136-Y199 WeakPolarHBondContact OE2-CD1 3.26Å; E136-Y199 WeakPolarHBondContact OE2-CE1 3.48Å; S147-Y199 WeakPolarHBondContact CB-O 3.27Å; S147-Y199 PolarHBondContact OG-O 3.38Å; L167-Y199 HydrophobicContact CD1-CD2 3.62Å; L167-Y199 HydrophobicContact CD1-CE2 3.67Å; L167-Y199 HydrophobicContact CD2-CD2 4.02Å; L167-Y199 HydrophobicContact CD2-CE2 4.3Å; L167-Y199 HydrophobicContact CG-CD2 4.5Å
200M30.1Very low46.3Very low16 Ų1655.7 Ų55.78%0.07931%0.306CS..  trans-107.5124159-76.2142.5-68.700109.5P126 L137 T140 L159P126-M200 HydrophobicContact CG-CE 4.44Å; L137-M200 HydrophobicContact CB-CE 3.86Å; L137-M200 HydrophobicContact CD1-CE 3.66Å; L137-M200 HydrophobicContact CD1-SD 3.73Å; L137-M200 HydrophobicContact CG-CE 4.17Å; T140-M200 HydrophobicContact CG2-CB 4.33Å; T140-M200 WeakPolarHBondContact OG1-CB 3.34Å; L159-M200 HydrophobicContact CD1-CE 3.87Å; L159-M200 HydrophobicContact CD2-CE 3.78Å; L159-M200 HydrophobicContact CG-CE 4.42Å
201L31.5Very low45.1Very low127 Ų12754.5 Ų54.567%0.66527%0.27SS*.  trans-99.20146.4-63.6171.2000106.9T140T140-L201 VanDerWaalsContact CG2-OXT 3.31Å; T140-L201 WeakPolarHBondContact CG2-OXT 3.44Å

Retrieved 201 of 201 residues in 56 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).