A0A096NJ15_PAPAN Loading...

Beta-defensin

Has antibacterial activity.

AlphaFold DB (A0A2K6Q045), UniProt , Accession A0A096NJ15, Species PAPAN (Papio anubis, Olive baboon), Gene DEFB110, Length 67 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.3Low77.2Confident198 Ų198133.3 Ų133.398%0.97564%0.635SS**  0-46.20-63.3-63.7160.500113.4
2K63.8Low77.1Confident189 Ų189134.4 Ų134.482%0.82264%0.636SS**Hα-helixtrans-73.9-34.6-175.9-150.2167.2174.5178.80115.1F6K2-F6 PolarHBondContact O-N 2.98Å
3I76.8Confident76.9Confident135 Ų135138.5 Ų138.569%0.69264%0.642SS**Hα-helixtrans-74.8-38.2-177.3-63.4155.2000112.2L5 F6 F7I3-L5 VanDerWaalsContact C-N 3.31Å; I3-L5 PolarHBondContact O-N 2.86Å; I3-F6 WeakPolarHBondContact O-CB 3.35Å; I3-F6 PolarHBondContact O-N 3.17Å; I3-F7 PolarHBondContact O-N 2.98Å; I3-F7 VanDerWaalsContact O-N 3.11Å
4Q76.8Confident76.8Confident131 Ų131135.1 Ų135.161%0.61264%0.635SS**Hα-helixtrans-63.9-38.9177.2-71.9-169.4-3900111.5F6 F7 F8Q4-F6 VanDerWaalsContact C-N 3.28Å; Q4-F6 PolarHBondContact O-N 3.28Å; Q4-F7 PolarHBondContact O-N 2.89Å; Q4-F8 WeakPolarHBondContact O-CD2 3.27Å; Q4-F8 PolarHBondContact O-N 3.48Å
5L79.5Confident76.6Confident116 Ų116131.7 Ų131.761%0.60763%0.628SS**Hα-helixtrans-58-42.6173.8-122108000111.9I3 F7 F8 I9I3-L5 VanDerWaalsContact C-N 3.31Å; I3-L5 PolarHBondContact O-N 2.86Å; L5-F7 VanDerWaalsContact C-N 3.34Å; L5-F7 PolarHBondContact O-N 3.32Å; L5-F8 PolarHBondContact O-N 3.31Å; L5-I9 WeakPolarHBondContact O-CD1 3.04Å; L5-I9 VanDerWaalsContact O-CG1 3.26Å; L5-I9 WeakPolarHBondContact O-CG1 2.88Å; L5-I9 PolarHBondContact O-N 3.33Å
6F80.7Confident76Confident136 Ų136127.4 Ų127.460%0.59661%0.612SS**Hα-helixtrans-63.9-41.1178.7-153.2-92.1000111.8K2 I3 Q4 I9 L10K2-F6 PolarHBondContact O-N 2.98Å; I3-F6 WeakPolarHBondContact O-CB 3.35Å; I3-F6 PolarHBondContact O-N 3.17Å; Q4-F6 VanDerWaalsContact C-N 3.28Å; Q4-F6 PolarHBondContact O-N 3.28Å; F6-I9 PolarHBondContact O-N 3.37Å; F6-L10 HydrophobicContact CD1-CD1 3.77Å; F6-L10 HydrophobicContact CD1-CG 4.19Å; F6-L10 HydrophobicContact CE1-CD1 3.92Å; F6-L10 HydrophobicContact CE1-CG 4.22Å; F6-L10 WeakPolarHBondContact O-CG 3.47Å; F6-L10 PolarHBondContact O-N 3.17Å
7F81.6Confident75.2Confident134 Ų134124.4 Ų124.459%0.58861%0.607SS**Hα-helixtrans-63-41.9175-118.3-88.3000112.4I3 Q4 L5 L10 L11I3-F7 PolarHBondContact O-N 2.98Å; I3-F7 VanDerWaalsContact O-N 3.11Å; Q4-F7 PolarHBondContact O-N 2.89Å; L5-F7 VanDerWaalsContact C-N 3.34Å; L5-F7 PolarHBondContact O-N 3.32Å; F7-L10 PolarHBondContact O-N 3.13Å; F7-L11 HydrophobicContact CD1-CD1 4.43Å; F7-L11 VanDerWaalsContact O-CG 3.32Å; F7-L11 WeakPolarHBondContact O-CG 3.27Å; F7-L11 PolarHBondContact O-N 3.05Å
8F81.7Confident74.4Confident155 Ų155124.1 Ų124.168%0.6860%0.604SS**Hα-helixtrans-62.2-42.3174.9-91.2-77.1000112.2Q4 L5 L11 F12Q4-F8 WeakPolarHBondContact O-CD2 3.27Å; Q4-F8 PolarHBondContact O-N 3.48Å; L5-F8 PolarHBondContact O-N 3.31Å; F8-L11 PolarHBondContact O-N 3.18Å; F8-F12 WeakPolarHBondContact O-CB 3.44Å; F8-F12 PolarHBondContact O-N 2.89Å
9I84.6Confident73.6Confident86 Ų86120.1 Ų120.144%0.44159%0.594SS.*Hα-helixtrans-63.3-43.4177.4-66161.1000110.8L5 F6 F12 W13L5-I9 WeakPolarHBondContact O-CD1 3.04Å; L5-I9 VanDerWaalsContact O-CG1 3.26Å; L5-I9 WeakPolarHBondContact O-CG1 2.88Å; L5-I9 PolarHBondContact O-N 3.33Å; F6-I9 PolarHBondContact O-N 3.37Å; I9-F12 PolarHBondContact O-N 3.18Å; I9-W13 HydrophobicContact CG2-CE3 4.42Å; I9-W13 PolarHBondContact O-N 2.75Å
10L84.1Confident72.9Confident84 Ų84122.7 Ų122.744%0.4460%0.601SS.*Hα-helixtrans-62.1-45.9177.1-74171.3000112F6 F7 F12 W13 V14F6-L10 HydrophobicContact CD1-CD1 3.77Å; F6-L10 HydrophobicContact CD1-CG 4.19Å; F6-L10 HydrophobicContact CE1-CD1 3.92Å; F6-L10 HydrophobicContact CE1-CG 4.22Å; F6-L10 WeakPolarHBondContact O-CG 3.47Å; F6-L10 PolarHBondContact O-N 3.17Å; F7-L10 PolarHBondContact O-N 3.13Å; L10-F12 VanDerWaalsContact C-N 3.32Å; L10-F12 PolarHBondContact O-N 2.03Å; L10-W13 PolarHBondContact O-N 2.59Å; L10-V14 WeakPolarHBondContact O-CG2 3.02Å; L10-V14 PolarHBondContact O-N 2.81Å; L10-V14 VanDerWaalsContact O-N 3.08Å
11L80.1Confident72.3Confident102 Ų102125 Ų12553%0.53461%0.608SS.*Hα-helixtrans-62.9-39.4177.6-72.3167.7000111.8F7 F8 T15F7-L11 HydrophobicContact CD1-CD1 4.43Å; F7-L11 VanDerWaalsContact O-CG 3.32Å; F7-L11 WeakPolarHBondContact O-CG 3.27Å; F7-L11 PolarHBondContact O-N 3.05Å; F8-L11 PolarHBondContact O-N 3.18Å; L11-T15 WeakPolarHBondContact O-CB 3.05Å; L11-T15 WeakPolarHBondContact O-CG2 3.43Å; L11-T15 PolarHBondContact O-N 2.83Å; L11-T15 VanDerWaalsContact O-N 3.07Å; L11-T15 PolarHBondContact O-OG1 3.34Å
12F76.8Confident72.2Confident147 Ų147123 Ų12365%0.64559%0.594SS**Hα-helixtrans-65.6-39.7176.9-147.8-94.2000111.6F8 I9 L10 T15 V16F8-F12 WeakPolarHBondContact O-CB 3.44Å; F8-F12 PolarHBondContact O-N 2.89Å; I9-F12 PolarHBondContact O-N 3.18Å; L10-F12 VanDerWaalsContact C-N 3.32Å; L10-F12 PolarHBondContact O-N 2.03Å; F12-T15 WeakPolarHBondContact CA-OG1 3.24Å; F12-T15 PolarHBondContact O-OG1 2.86Å; F12-V16 HydrophobicContact CD1-CG2 3.79Å; F12-V16 HydrophobicContact CE1-CG2 3.79Å; F12-V16 WeakPolarHBondContact O-CB 3.22Å; F12-V16 WeakPolarHBondContact O-CG2 3.45Å; F12-V16 PolarHBondContact O-N 2.85Å
13W74Confident71.6Confident187 Ų187120.9 Ų120.971%0.70858%0.582SS**Hα-helixtrans-67.3-42.6179.5-138.1-30.5000112.5I9 L10 S17I9-W13 HydrophobicContact CG2-CE3 4.42Å; I9-W13 PolarHBondContact O-N 2.75Å; L10-W13 PolarHBondContact O-N 2.59Å; W13-S17 VanDerWaalsContact O-CB 3.23Å; W13-S17 WeakPolarHBondContact O-CB 3.42Å; W13-S17 PolarHBondContact O-N 3.24Å
14V75.7Confident70.6Confident91 Ų91118.3 Ų118.355%0.55257%0.574SS**Hα-helixtrans-64.8-43.6178.3173.30000110.8L10 S17 Q18L10-V14 WeakPolarHBondContact O-CG2 3.02Å; L10-V14 PolarHBondContact O-N 2.81Å; L10-V14 VanDerWaalsContact O-N 3.08Å; V14-S17 PolarHBondContact O-N 2.93Å; V14-Q18 WeakPolarHBondContact O-CB 3.47Å; V14-Q18 WeakPolarHBondContact O-CG 3.29Å; V14-Q18 PolarHBondContact O-N 2.02Å
15T73.8Confident69.5Low85 Ų85120 Ų12052%0.52158%0.582SS.*Hα-helixtrans-67.9-43.9179.548.50000112.6L11 F12 S17 Q18 A19L11-T15 WeakPolarHBondContact O-CB 3.05Å; L11-T15 WeakPolarHBondContact O-CG2 3.43Å; L11-T15 PolarHBondContact O-N 2.83Å; L11-T15 VanDerWaalsContact O-N 3.07Å; L11-T15 PolarHBondContact O-OG1 3.34Å; F12-T15 WeakPolarHBondContact CA-OG1 3.24Å; F12-T15 PolarHBondContact O-OG1 2.86Å; T15-S17 VanDerWaalsContact C-N 3.34Å; T15-S17 PolarHBondContact O-N 3.21Å; T15-Q18 PolarHBondContact O-N 3.29Å; T15-A19 PolarHBondContact O-N 2.83Å
16V67.4Low68.1Low62 Ų62125 Ų12538%0.37659%0.594SS.*Hα-helixtrans-63.9-39.1175.6171.70000111.6F12 A19 K20F12-V16 HydrophobicContact CD1-CG2 3.79Å; F12-V16 HydrophobicContact CE1-CG2 3.79Å; F12-V16 WeakPolarHBondContact O-CB 3.22Å; F12-V16 WeakPolarHBondContact O-CG2 3.45Å; F12-V16 PolarHBondContact O-N 2.85Å; V16-A19 PolarHBondContact O-N 2.93Å; V16-K20 PolarHBondContact O-N 3.42Å; V16-K20 VanDerWaalsContact O-N 3.16Å
17S61.7Low67.1Low76 Ų76120.6 Ų120.653%0.53159%0.588SS.*Hα-helixtrans-66.1-43.1178.2-166.80000112.1W13 V14 T15 A19 K20 K21W13-S17 VanDerWaalsContact O-CB 3.23Å; W13-S17 WeakPolarHBondContact O-CB 3.42Å; W13-S17 PolarHBondContact O-N 3.24Å; V14-S17 PolarHBondContact O-N 2.93Å; T15-S17 VanDerWaalsContact C-N 3.34Å; T15-S17 PolarHBondContact O-N 3.21Å; S17-A19 VanDerWaalsContact C-N 3.33Å; S17-A19 PolarHBondContact O-N 3.35Å; S17-K20 PolarHBondContact O-N 3.49Å; S17-K21 PolarHBondContact O-N 2.86Å
18Q60.9Low66.4Low119 Ų119117.3 Ų117.356%0.55658%0.581SS**Hα-helixtrans-64.5-36.5175.4-69.1-82.546.300112.2V14 T15 K21 K22V14-Q18 WeakPolarHBondContact O-CB 3.47Å; V14-Q18 WeakPolarHBondContact O-CG 3.29Å; V14-Q18 PolarHBondContact O-N 2.02Å; T15-Q18 PolarHBondContact O-N 3.29Å; Q18-K21 PolarHBondContact O-N 3.1Å; Q18-K22 WeakPolarHBondContact O-CB 3.42Å; Q18-K22 PolarHBondContact O-N 2.75Å
19A59.9Low65.9Low49 Ų49114.9 Ų114.941%0.40558%0.575SS.*Hα-helixtrans-63.5-42.817600000112.4T15 V16 S17 K21 K22 Y23T15-A19 PolarHBondContact O-N 2.83Å; V16-A19 PolarHBondContact O-N 2.93Å; S17-A19 VanDerWaalsContact C-N 3.33Å; S17-A19 PolarHBondContact O-N 3.35Å; A19-K21 VanDerWaalsContact C-N 3.25Å; A19-K21 PolarHBondContact O-N 3.13Å; A19-K22 PolarHBondContact O-N 3.05Å; A19-Y23 PolarHBondContact O-N 3.34Å
20K59Low65.7Low172 Ų172115.5 Ų115.575%0.74858%0.579SS**Hα-helixtrans-60.8-34.4173.7-74.7-168.4177.8-170.30112.7V16 S17V16-K20 PolarHBondContact O-N 3.42Å; V16-K20 VanDerWaalsContact O-N 3.16Å; S17-K20 PolarHBondContact O-N 3.49Å
21K59.4Low65.7Low170 Ų170113.9 Ų113.974%0.73957%0.57SS**Hα-helixtrans-74.3-31.1179.1-160.5176.5-177179.10112.8S17 Q18 A19S17-K21 PolarHBondContact O-N 2.86Å; Q18-K21 PolarHBondContact O-N 3.1Å; A19-K21 VanDerWaalsContact C-N 3.25Å; A19-K21 PolarHBondContact O-N 3.13Å
22K57.4Low65.9Low158 Ų158115.8 Ų115.869%0.68757%0.57SS**Hα-helixtrans-83.8-22.1-173.9-166.4166.8-177.5-179.80114.3Q18 A19 P24Q18-K22 WeakPolarHBondContact O-CB 3.42Å; Q18-K22 PolarHBondContact O-N 2.75Å; A19-K22 PolarHBondContact O-N 3.05Å; K22-P24 VanDerWaalsContact O-CD 3.24Å; K22-P24 WeakPolarHBondContact O-CD 2.94Å
23Y52.4Low66.4Low143 Ų143118.2 Ų118.256%0.56158%0.575SS**  trans-11968.4179.9-62.6-80.1000112.2A19 E25 Y26A19-Y23 PolarHBondContact O-N 3.34Å; Y23-E25 PolarHBondContact O-N 2.8Å; Y23-Y26 PolarHBondContact O-N 2.78Å
24P55Low67.1Low81 Ų81114.8 Ų114.853%0.52657%0.567SS.*G310 helixtrans-63.8-20.1172.329.6-34.9000112K22 Y26 G27K22-P24 VanDerWaalsContact O-CD 3.24Å; K22-P24 WeakPolarHBondContact O-CD 2.94Å; P24-Y26 PolarHBondContact O-N 3.47Å; P24-G27 CarbonylContact O-C 3.26Å; P24-G27 VanDerWaalsContact O-C 3.26Å; P24-G27 VanDerWaalsContact O-CA 3.25Å; P24-G27 WeakPolarHBondContact O-CA 3.42Å; P24-G27 PolarHBondContact O-N 2.02Å
25E53.8Low67.7Low168 Ų168110.6 Ų110.679%0.78554%0.542SS*.G310 helixtrans-56.7-28.6174.5-54.5-84.8113.800112.8Y23Y23-E25 PolarHBondContact O-N 2.8Å
26Y49.8Very low68.5Low220 Ų220116.4 Ų116.486%0.86355%0.554SS**G310 helixtrans-89.9-14.5171.6-91.4-88.3000113.1Y23 P24 S28Y23-Y26 PolarHBondContact O-N 2.78Å; P24-Y26 PolarHBondContact O-N 3.47Å; Y26-S28 PolarHBondContact O-N 3.08Å
27G60.3Low69.5Low44 Ų44120.2 Ų120.245%0.45457%0.57SS.*SBendtrans-93.785.8176.800000110.7P24P24-G27 CarbonylContact O-C 3.26Å; P24-G27 VanDerWaalsContact O-C 3.26Å; P24-G27 VanDerWaalsContact O-CA 3.25Å; P24-G27 WeakPolarHBondContact O-CA 3.42Å; P24-G27 PolarHBondContact O-N 2.02Å
28S65.7Low70.7Confident64 Ų64118.7 Ų118.745%0.44857%0.566SS.*  trans52.693.6173.657.50000114.8Y26 D30Y26-S28 PolarHBondContact O-N 3.08Å; S28-D30 PolarHBondContact O-N 2.82Å; S28-D30 VanDerWaalsContact O-N 3.08Å
29L71.3Confident72.1Confident105 Ų105120.1 Ų120.155%0.5558%0.578SS.*  trans-50.3115164.6-166.986.4000109.8L31L29-L31 HydrophobicContact CD2-CD1 3.44Å; L29-L31 VanDerWaalsContact CD2-CD1 3.44Å; L29-L31 HydrophobicContact CD2-CD2 4Å; L29-L31 HydrophobicContact CD2-CG 3.61Å; L29-L31 HydrophobicContact CG-CD1 4.33Å; L29-L31 HydrophobicContact CG-CD2 4.24Å; L29-L31 HydrophobicContact CG-CG 3.95Å
30D81.6Confident73.5Confident99 Ų99118.2 Ų118.253%0.52956%0.563SS.*BIsolated β-bridgetrans-98.899.6176.1-169.5-6.4000110.1S28 R32 C56S28-D30 PolarHBondContact O-N 2.82Å; S28-D30 VanDerWaalsContact O-N 3.08Å; D30-R32 VanDerWaalsContact OD1-CB 3.25Å; D30-R32 WeakPolarHBondContact OD1-CB 3.39Å; D30-R32 PolarHBondContact OD1-N 3.24Å; D30-C56 CarbonylContact C-O 3.47Å; D30-C56 VanDerWaalsContact CA-O 3.31Å; D30-C56 WeakPolarHBondContact CA-O 3.39Å
31L83.6Confident75.1Confident50 Ų50118.7 Ų118.726%0.26256%0.56SS.*  trans-99.818.9178.1-64.3171.7000112.2L29 R33 E34 C35 A54 Y55 C56L29-L31 HydrophobicContact CD2-CD1 3.44Å; L29-L31 VanDerWaalsContact CD2-CD1 3.44Å; L29-L31 HydrophobicContact CD2-CD2 4Å; L29-L31 HydrophobicContact CD2-CG 3.61Å; L29-L31 HydrophobicContact CG-CD1 4.33Å; L29-L31 HydrophobicContact CG-CD2 4.24Å; L29-L31 HydrophobicContact CG-CG 3.95Å; L31-R33 PolarHBondContact O-N 3.25Å; L31-E34 HydrophobicContact CD2-CB 4.47Å; L31-E34 HydrophobicContact CD2-CG 3.95Å; L31-E34 PolarHBondContact O-N 3.01Å; L31-C35 WeakPolarHBondContact O-CB 3.28Å; L31-C35 PolarHBondContact O-N 3.18Å; L31-A54 HydrophobicContact CD1-CB 4.07Å; L31-Y55 WeakPolarHBondContact CB-O 3.46Å; L31-Y55 WeakPolarHBondContact CD1-O 3Å; L31-C56 PolarHBondContact N-O 3.29Å
32R85.1Confident76.5Confident141 Ų141112.6 Ų112.653%0.53254%0.538SS..Hα-helixtrans-54-40.5177.2-103175.1166.8-174.2-2.9112.9D30 R36 C42 C56D30-R32 VanDerWaalsContact OD1-CB 3.25Å; D30-R32 WeakPolarHBondContact OD1-CB 3.39Å; D30-R32 PolarHBondContact OD1-N 3.24Å; R32-R36 WeakPolarHBondContact O-CB 3.47Å; R32-R36 PolarHBondContact O-N 3.36Å; R32-C42 WeakPolarHBondContact CG-SG 3.31Å; R32-C56 HydrophobicContact CG-CB 4.11Å
33R86.8Confident78.1Confident198 Ų198108.2 Ų108.275%0.74752%0.519SS*.Hα-helixtrans-66.6-49.9-177.2-164.3179.4-131.2163.21.8110.8L31 C35 R36 M37L31-R33 PolarHBondContact O-N 3.25Å; R33-C35 VanDerWaalsContact C-N 3.32Å; R33-C35 PolarHBondContact O-N 3.36Å; R33-R36 PolarHBondContact O-N 3.16Å; R33-R36 VanDerWaalsContact O-N 3.13Å; R33-M37 WeakPolarHBondContact O-CG 3.22Å; R33-M37 PolarHBondContact O-N 3.25Å
34E87.8Confident79.9Confident115 Ų115107.4 Ų107.454%0.53752%0.524SS..Hα-helixtrans-58.3-44.6176.4-54.9-51.2133.200111.4L31 R36 M37 G38L31-E34 HydrophobicContact CD2-CB 4.47Å; L31-E34 HydrophobicContact CD2-CG 3.95Å; L31-E34 PolarHBondContact O-N 3.01Å; E34-R36 VanDerWaalsContact C-N 3.31Å; E34-R36 PolarHBondContact O-N 3.34Å; E34-M37 PolarHBondContact O-N 3.05Å; E34-G38 PolarHBondContact O-N 2.98Å
35C89.4Confident81.5Confident4 Ų4111.3 Ų111.33%0.02754%0.535CS..Hα-helixtrans-56.6-45.3175.8-173.90000112L31 R33 G38 G40 C56 C63L31-C35 WeakPolarHBondContact O-CB 3.28Å; L31-C35 PolarHBondContact O-N 3.18Å; R33-C35 VanDerWaalsContact C-N 3.32Å; R33-C35 PolarHBondContact O-N 3.36Å; C35-G38 PolarHBondContact O-N 2.98Å; C35-G40 VanDerWaalsContact O-CA 3.28Å; C35-G40 WeakPolarHBondContact O-CA 3.43Å; C35-G40 PolarHBondContact O-N 2.97Å; C35-C56 VanDerWaalsContact SG-SG 3.68Å; C35-C63 WeakPolarHBondContact CA-SG 3.26Å; C35-C63 HydrophobicContact CB-CB 3.73Å; C35-C63 WeakPolarHBondContact CB-SG 3.33Å; C35-C63 VanDerWaalsContact SG-CA 3.53Å; C35-C63 WeakPolarHBondContact SG-CB 3.5Å; C35-C63 CovalentContact SG-SG 2.02Å; C35-C63 PolarHBondContact SG-SG 3.45Å
36R89.2Confident83.2Confident206 Ų206104.6 Ų104.678%0.77751%0.507SS*.Hα-helixtrans-69.9-34.9179.9-162.1177.3-164.7170.55112.4R32 R33 E34 G38 N39R32-R36 WeakPolarHBondContact O-CB 3.47Å; R32-R36 PolarHBondContact O-N 3.36Å; R33-R36 PolarHBondContact O-N 3.16Å; R33-R36 VanDerWaalsContact O-N 3.13Å; E34-R36 VanDerWaalsContact C-N 3.31Å; E34-R36 PolarHBondContact O-N 3.34Å; R36-G38 VanDerWaalsContact C-N 3.27Å; R36-G38 PolarHBondContact O-N 2.8Å; R36-N39 PolarHBondContact O-N 3.47Å
37M90.1Very high85Confident143 Ų14399.7 Ų99.770%0.70449%0.492SS*.Hα-helixtrans-64.9-33.1174.4-71.5-177.580.700111.8R33 E34 N39R33-M37 WeakPolarHBondContact O-CG 3.22Å; R33-M37 PolarHBondContact O-N 3.25Å; E34-M37 PolarHBondContact O-N 3.05Å; M37-N39 PolarHBondContact O-N 3.46Å
38G86.8Confident86.3Confident44 Ų44107 Ų10745%0.45451%0.514SS..THydrogen-bonded Turntrans-77.79.2172.700000115.4E34 C35 R36 G40 L65E34-G38 PolarHBondContact O-N 2.98Å; C35-G38 PolarHBondContact O-N 2.98Å; R36-G38 VanDerWaalsContact C-N 3.27Å; R36-G38 PolarHBondContact O-N 2.8Å; G38-G40 PolarHBondContact O-N 3.02Å; G38-L65 WeakPolarHBondContact O-CD2 3.41Å
39N89.6Confident87.4Confident149 Ų149108.5 Ų108.580%0.79752%0.517SS*.THydrogen-bonded Turntrans59.922.9-169.2-68.2-28.6000114.7R36 M37R36-N39 PolarHBondContact O-N 3.47Å; M37-N39 PolarHBondContact O-N 3.46Å
40G90.3Very high88.2Confident9 Ų9104.9 Ų104.99%0.09350%0.497CS..  trans-87.6164.3175.600000113.6C35 G38 C64C35-G40 VanDerWaalsContact O-CA 3.28Å; C35-G40 WeakPolarHBondContact O-CA 3.43Å; C35-G40 PolarHBondContact O-N 2.97Å; G38-G40 PolarHBondContact O-N 3.02Å; G40-C64 CarbonylContact C-O 3.5Å; G40-C64 WeakPolarHBondContact CA-O 3.23Å
41R90.9Very high88.5Confident182 Ų182104.2 Ų104.269%0.68749%0.493SS*.EExtended strand (participates in β ladder)trans-122.4139.9172.9-66.8-172.9-177.7-167.42.7111.1C64R41-C64 PolarHBondContact N-O 3.38Å; R41-C64 PolarHBondContact O-N 3.21Å
42C90.3Very high88.5Confident41 Ų41108 Ų10828%0.27750%0.503SS..EExtended strand (participates in β ladder)trans-81.3120.4173.7-580000110.6R32 C56 H62R32-C42 WeakPolarHBondContact CG-SG 3.31Å; C42-C56 VanDerWaalsContact CA-SG 3.52Å; C42-C56 HydrophobicContact CB-CB 3.66Å; C42-C56 WeakPolarHBondContact CB-SG 3.4Å; C42-C56 WeakPolarHBondContact SG-CB 3.24Å; C42-C56 CovalentContact SG-SG 2.02Å; C42-C56 PolarHBondContact SG-SG 2.99Å; C42-H62 CarbonylContact C-O 3.52Å; C42-H62 VanDerWaalsContact CA-O 3.22Å; C42-H62 WeakPolarHBondContact CA-O 3.48Å
43K90.8Very high88.4Confident67 Ų67106 Ų10629%0.29150%0.502SS..EExtended strand (participates in β ladder)trans-135.9157.9178.9-59.1-179.2-175.6175.90110.4Q45 E50 T61 H62 C64K43-Q45 VanDerWaalsContact C-N 3.25Å; K43-Q45 VanDerWaalsContact CB-O 3.31Å; K43-Q45 WeakPolarHBondContact CB-O 3.41Å; K43-Q45 PolarHBondContact O-N 3.41Å; K43-E50 IonicContact NZ-OE1 2.59Å; K43-E50 PolarHBondContact NZ-OE1 3.45Å; K43-E50 IonicContact NZ-OE2 2.75Å; K43-E50 PolarHBondContact NZ-OE2 3.37Å; K43-T61 CarbonylContact O-C 3.51Å; K43-H62 PolarHBondContact N-O 2.99Å; K43-H62 PolarHBondContact O-N 3.35Å; K43-C64 HydrophobicContact CD-CB 4.47Å
44N89Confident88.2Confident126 Ų12698 Ų9867%0.67448%0.478SS*.SBendtrans-69.9-28173.3-69.3-4.2000111.9T61 H62N44-T61 VanDerWaalsContact OD1-CG2 3.29Å; N44-T61 WeakPolarHBondContact OD1-CG2 3.2Å; N44-H62 PolarHBondContact O-CD2 3.45Å
45Q88.9Confident88Confident162 Ų16296.5 Ų96.576%0.75747%0.469SS*.SBendtrans-145.5137.6175.1-165168.317.100108.2K43K43-Q45 VanDerWaalsContact C-N 3.25Å; K43-Q45 VanDerWaalsContact CB-O 3.31Å; K43-Q45 WeakPolarHBondContact CB-O 3.41Å; K43-Q45 PolarHBondContact O-N 3.41Å
46C89.4Confident87.8Confident28 Ų2896.3 Ų96.319%0.18947%0.467CS..  trans-80.6150.1173.9-57.70000109.9E50 C64C46-E50 HydrophobicContact CB-CB 4.23Å; C46-C64 WeakPolarHBondContact CA-SG 3.29Å; C46-C64 HydrophobicContact CB-CB 3.73Å; C46-C64 WeakPolarHBondContact CB-SG 3.02Å; C46-C64 VanDerWaalsContact SG-CA 3.55Å; C46-C64 WeakPolarHBondContact SG-CB 3.32Å; C46-C64 CovalentContact SG-SG 2.03Å; C46-C64 PolarHBondContact SG-SG 3.11Å
47H88.7Confident87.5Confident116 Ų11689 Ų8954%0.53744%0.443SS..  trans-75162174.6-161.438.2000110.7N49 E50H47-N49 WeakPolarHBondContact CB-OD1 3.31Å; H47-N49 PolarHBondContact CD2-OD1 3.24Å; H47-N49 PolarHBondContact O-N 3.04Å; H47-E50 HydrophobicContact CB-CG 4.22Å; H47-E50 PolarHBondContact N-OE2 3.07Å; H47-E50 VanDerWaalsContact N-OE2 3.13Å; H47-E50 PolarHBondContact O-N 3.22Å
48E87.4Confident86.6Confident198 Ų19890.4 Ų90.493%0.92544%0.441SS*.THydrogen-bonded Turntrans-63-24.4-175.4-64.2-177.3175.300113.2
49N87.9Confident85.6Confident95 Ų9594.5 Ų94.551%0.50846%0.459SS..THydrogen-bonded Turntrans-92.56176.364.6-7.8000113.8H47H47-N49 WeakPolarHBondContact CB-OD1 3.31Å; H47-N49 PolarHBondContact CD2-OD1 3.24Å; H47-N49 PolarHBondContact O-N 3.04Å
50E88.8Confident85.1Confident30 Ų3089.5 Ų89.514%0.1444%0.443CS..EExtended strand (participates in β ladder)trans-113.5141.9179.8-68.8176.5157.300111.1K43 C46 H47 C64 L65K43-E50 IonicContact NZ-OE1 2.59Å; K43-E50 PolarHBondContact NZ-OE1 3.45Å; K43-E50 IonicContact NZ-OE2 2.75Å; K43-E50 PolarHBondContact NZ-OE2 3.37Å; C46-E50 HydrophobicContact CB-CB 4.23Å; H47-E50 HydrophobicContact CB-CG 4.22Å; H47-E50 PolarHBondContact N-OE2 3.07Å; H47-E50 VanDerWaalsContact N-OE2 3.13Å; H47-E50 PolarHBondContact O-N 3.22Å; E50-C64 HydrophobicContact CB-CB 4.13Å; E50-C64 WeakPolarHBondContact OE2-CB 3.37Å; E50-L65 CarbonylContact C-O 3.6Å; E50-L65 VanDerWaalsContact CA-O 3.27Å; E50-L65 WeakPolarHBondContact CA-O 3.45Å; E50-L65 WeakPolarHBondContact CB-O 3.42Å
51I86.8Confident84.9Confident84 Ų8490.1 Ų90.143%0.43145%0.445SS..EExtended strand (participates in β ladder)trans-91.5124.9178.9-56.2173.5000109.3I53 L65 Q67I51-I53 HydrophobicContact CG2-CG2 4.28Å; I51-L65 PolarHBondContact N-O 3.48Å; I51-L65 PolarHBondContact O-N 3.18Å; I51-Q67 HydrophobicContact CD1-CG 4.21Å
52R85.3Confident84.9Confident129 Ų12982.9 Ų82.949%0.48742%0.419SS..EExtended strand (participates in β ladder)trans-84.6113.5172.3177.7-178.5159.9-169.8-4.5110.2Y55 H62R52-Y55 PolarHBondContact NH2-OH 3.4Å; R52-H62 HydrophobicContact CG-CB 4.27Å; R52-H62 VanDerWaalsContact CZ-ND1 3.31Å; R52-H62 PolarHBondContact NE-ND1 3.32Å; R52-H62 VanDerWaalsContact NE-ND1 3.17Å; R52-H62 PolarHBondContact NH1-CE1 3.08Å; R52-H62 PolarHBondContact NH2-CE1 3.01Å; R52-H62 VanDerWaalsContact NH2-CE1 3.33Å
53I83.3Confident84.9Confident99 Ų9981 Ų8151%0.50841%0.406SS..EExtended strand (participates in β ladder)trans-101.5-36.1179.447.7149.8000114.5I51 C63 L65I51-I53 HydrophobicContact CG2-CG2 4.28Å; I53-C63 HydrophobicContact CD1-CB 4.39Å; I53-C63 HydrophobicContact CG1-CB 4.11Å; I53-C63 PolarHBondContact N-O 2.95Å; I53-L65 HydrophobicContact CB-CD1 4.19Å; I53-L65 HydrophobicContact CD1-CD1 3.52Å; I53-L65 HydrophobicContact CD1-CG 4.04Å; I53-L65 HydrophobicContact CG1-CD1 3.64Å; I53-L65 HydrophobicContact CG1-CG 4.06Å; I53-L65 HydrophobicContact CG2-CD1 3.52Å
54A81.8Confident85Confident30 Ų3077.9 Ų77.925%0.24839%0.393CS..EExtended strand (participates in β ladder)trans-157.2177.1-172.800000111.8L31 H62 C63L31-A54 HydrophobicContact CD1-CB 4.07Å; A54-H62 WeakPolarHBondContact O-CA 3.34Å; A54-C63 PolarHBondContact O-N 3.46Å
55Y84.1Confident85.1Confident84 Ų8473.7 Ų73.733%0.32937%0.37SS..EExtended strand (participates in β ladder)trans-91.3137.7164.1-73.6-90.7000109.4L31 R52 R58 T61 H62L31-Y55 WeakPolarHBondContact CB-O 3.46Å; L31-Y55 WeakPolarHBondContact CD1-O 3Å; R52-Y55 PolarHBondContact NH2-OH 3.4Å; Y55-R58 HydrophobicContact CG-CG 4.38Å; Y55-T61 CarbonylContact C-O 3.51Å; Y55-T61 VanDerWaalsContact CA-O 3.29Å; Y55-T61 WeakPolarHBondContact CA-O 2.97Å; Y55-T61 WeakPolarHBondContact CD1-O 3.25Å; Y55-H62 AromaticContact CD1-CE1 3.72Å; Y55-H62 AromaticContact CD1-ND1 3.42Å; Y55-H62 WeakPolarHBondContact CD1-ND1 3.25Å; Y55-H62 AromaticContact CE1-CE1 3.04Å; Y55-H62 WeakPolarHBondContact CE1-CE1 3.21Å; Y55-H62 AromaticContact CE1-ND1 3.24Å; Y55-H62 WeakPolarHBondContact CE1-ND1 3.5Å; Y55-H62 AromaticContact CZ-CE1 3.46Å; Y55-H62 VanDerWaalsContact CZ-CE1 3.46Å; Y55-H62 AromaticContact CZ-ND1 3.77Å
56C84.1Confident84.8Confident0 Ų073 Ų730%037%0.367CS..EExtended strand (participates in β ladder)trans-75.3-48.1168.7-73.30000110.9D30 L31 R32 C35 C42 T61D30-C56 CarbonylContact C-O 3.47Å; D30-C56 VanDerWaalsContact CA-O 3.31Å; D30-C56 WeakPolarHBondContact CA-O 3.39Å; L31-C56 PolarHBondContact N-O 3.29Å; R32-C56 HydrophobicContact CG-CB 4.11Å; C35-C56 VanDerWaalsContact SG-SG 3.68Å; C42-C56 VanDerWaalsContact CA-SG 3.52Å; C42-C56 HydrophobicContact CB-CB 3.66Å; C42-C56 WeakPolarHBondContact CB-SG 3.4Å; C42-C56 WeakPolarHBondContact SG-CB 3.24Å; C42-C56 CovalentContact SG-SG 2.02Å; C42-C56 PolarHBondContact SG-SG 2.99Å; C56-T61 WeakPolarHBondContact CB-OG1 3.36Å; C56-T61 PolarHBondContact N-O 3.01Å
57I82.9Confident83.6Confident54 Ų5481.8 Ų81.828%0.27741%0.405SS..EExtended strand (participates in β ladder)trans-140.2123.3174.5-59172.9000107.5G60 T61I57-G60 PolarHBondContact O-N 3.27Å; I57-T61 PolarHBondContact N-OG1 3.37Å; I57-T61 PolarHBondContact O-N 2.98Å; I57-T61 VanDerWaalsContact O-N 3.1Å
58R72.2Confident83.4Confident172 Ų17280.1 Ų80.165%0.64940%0.399SS*.THydrogen-bonded Turntrans-72.8141.3173.6-90-167-166.9-171.45.7111.5Y55Y55-R58 HydrophobicContact CG-CG 4.38Å
59P64.9Low83.2Confident129 Ų12973.9 Ų73.984%0.83837%0.371SS*.THydrogen-bonded Turncis-97.433.6-10.338.9-33.4000112.3
60G79.3Confident82.9Confident44 Ų4472.7 Ų72.745%0.45436%0.363SS..THydrogen-bonded Turntrans-100.3-52.6-16500000115.6I57I57-G60 PolarHBondContact O-N 3.27Å
61T87.1Confident82.5Confident23 Ų2375.2 Ų75.214%0.14138%0.377CS..EExtended strand (participates in β ladder)trans-127.2143-166.4490000112.6K43 N44 Y55 C56 I57K43-T61 CarbonylContact O-C 3.51Å; N44-T61 VanDerWaalsContact OD1-CG2 3.29Å; N44-T61 WeakPolarHBondContact OD1-CG2 3.2Å; Y55-T61 CarbonylContact C-O 3.51Å; Y55-T61 VanDerWaalsContact CA-O 3.29Å; Y55-T61 WeakPolarHBondContact CA-O 2.97Å; Y55-T61 WeakPolarHBondContact CD1-O 3.25Å; C56-T61 WeakPolarHBondContact CB-OG1 3.36Å; C56-T61 PolarHBondContact N-O 3.01Å; I57-T61 PolarHBondContact N-OG1 3.37Å; I57-T61 PolarHBondContact O-N 2.98Å; I57-T61 VanDerWaalsContact O-N 3.1Å
62H89.8Confident82.3Confident30 Ų3074.7 Ų74.714%0.13937%0.373CS..EExtended strand (participates in β ladder)trans-98.3147.2174-57.9-59.7000111C42 K43 N44 R52 A54 Y55C42-H62 CarbonylContact C-O 3.52Å; C42-H62 VanDerWaalsContact CA-O 3.22Å; C42-H62 WeakPolarHBondContact CA-O 3.48Å; K43-H62 PolarHBondContact N-O 2.99Å; K43-H62 PolarHBondContact O-N 3.35Å; N44-H62 PolarHBondContact O-CD2 3.45Å; R52-H62 HydrophobicContact CG-CB 4.27Å; R52-H62 VanDerWaalsContact CZ-ND1 3.31Å; R52-H62 PolarHBondContact NE-ND1 3.32Å; R52-H62 VanDerWaalsContact NE-ND1 3.17Å; R52-H62 PolarHBondContact NH1-CE1 3.08Å; R52-H62 PolarHBondContact NH2-CE1 3.01Å; R52-H62 VanDerWaalsContact NH2-CE1 3.33Å; A54-H62 WeakPolarHBondContact O-CA 3.34Å; Y55-H62 AromaticContact CD1-CE1 3.72Å; Y55-H62 AromaticContact CD1-ND1 3.42Å; Y55-H62 WeakPolarHBondContact CD1-ND1 3.25Å; Y55-H62 AromaticContact CE1-CE1 3.04Å; Y55-H62 WeakPolarHBondContact CE1-CE1 3.21Å; Y55-H62 AromaticContact CE1-ND1 3.24Å; Y55-H62 WeakPolarHBondContact CE1-ND1 3.5Å; Y55-H62 AromaticContact CZ-CE1 3.46Å; Y55-H62 VanDerWaalsContact CZ-CE1 3.46Å; Y55-H62 AromaticContact CZ-ND1 3.77Å
63C90.4Very high82.1Confident1 Ų171.1 Ų71.11%0.00737%0.366CS..EExtended strand (participates in β ladder)trans-87120.2166-177.60000109.6C35 I53 A54C35-C63 WeakPolarHBondContact CA-SG 3.26Å; C35-C63 HydrophobicContact CB-CB 3.73Å; C35-C63 WeakPolarHBondContact CB-SG 3.33Å; C35-C63 VanDerWaalsContact SG-CA 3.53Å; C35-C63 WeakPolarHBondContact SG-CB 3.5Å; C35-C63 CovalentContact SG-SG 2.02Å; C35-C63 PolarHBondContact SG-SG 3.45Å; I53-C63 HydrophobicContact CD1-CB 4.39Å; I53-C63 HydrophobicContact CG1-CB 4.11Å; I53-C63 PolarHBondContact N-O 2.95Å; A54-C63 PolarHBondContact O-N 3.46Å
64C92.8Very high82Confident2 Ų269.1 Ų69.11%0.01436%0.355CS..EExtended strand (participates in β ladder)trans-112.4123.6-179.1-48.40000109.3G40 R41 K43 C46 E50G40-C64 CarbonylContact C-O 3.5Å; G40-C64 WeakPolarHBondContact CA-O 3.23Å; R41-C64 PolarHBondContact N-O 3.38Å; R41-C64 PolarHBondContact O-N 3.21Å; K43-C64 HydrophobicContact CD-CB 4.47Å; C46-C64 WeakPolarHBondContact CA-SG 3.29Å; C46-C64 HydrophobicContact CB-CB 3.73Å; C46-C64 WeakPolarHBondContact CB-SG 3.02Å; C46-C64 VanDerWaalsContact SG-CA 3.55Å; C46-C64 WeakPolarHBondContact SG-CB 3.32Å; C46-C64 CovalentContact SG-SG 2.03Å; C46-C64 PolarHBondContact SG-SG 3.11Å; E50-C64 HydrophobicContact CB-CB 4.13Å; E50-C64 WeakPolarHBondContact OE2-CB 3.37Å
65L90.3Very high82Confident38 Ų3872.1 Ų72.120%0.19936%0.364CS..EExtended strand (participates in β ladder)trans-101135.4175.9-71.5165.9000109.6G38 E50 I51 I53G38-L65 WeakPolarHBondContact O-CD2 3.41Å; E50-L65 CarbonylContact C-O 3.6Å; E50-L65 VanDerWaalsContact CA-O 3.27Å; E50-L65 WeakPolarHBondContact CA-O 3.45Å; E50-L65 WeakPolarHBondContact CB-O 3.42Å; I51-L65 PolarHBondContact N-O 3.48Å; I51-L65 PolarHBondContact O-N 3.18Å; I53-L65 HydrophobicContact CB-CD1 4.19Å; I53-L65 HydrophobicContact CD1-CD1 3.52Å; I53-L65 HydrophobicContact CD1-CG 4.04Å; I53-L65 HydrophobicContact CG1-CD1 3.64Å; I53-L65 HydrophobicContact CG1-CG 4.06Å; I53-L65 HydrophobicContact CG2-CD1 3.52Å
66Q83Confident81.8Confident147 Ų14771.1 Ų71.169%0.68737%0.367SS*.EExtended strand (participates in β ladder)trans-79.6129.4168.9-161165.2-8.600107.6
67Q65.2Low81.6Confident213 Ų21377.5 Ų77.5100%0.99540%0.4SS*.  trans-65.50-177.2-163.3171.62100112.1I51I51-Q67 HydrophobicContact CD1-CG 4.21Å

Retrieved 67 of 67 residues in 15.7 ms (Link to these results)