A0A096N3A5_PAPAN Loading...

Small ribosomal subunit protein uS10

Component of the small ribosomal subunit. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell.

AlphaFold DB (Q3ZBH8), UniProt , Accession A0A096N3A5, Species PAPAN (Papio anubis, Olive baboon), Gene RPS20, Length 119 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
1M49.5Very low54.8Low246 Ų246152.5 Ų152.5100%1.21285%0.849SS**  0127.50-71.4-175.4176.600107.5
2A51.8Low55.2Low102 Ų102153.8 Ų153.884%0.84384%0.844SS**  trans-70.3135.7-156.200000114.9K4A2-K4 PolarHBondContact O-N 3.29Å
3F53.8Low55.8Low198 Ų198150.6 Ų150.687%0.86884%0.835SS**  trans-61.6126168.5-93-104000110
4K57.8Low56.3Low196 Ų196153.2 Ų153.285%0.85284%0.837SS**  trans-89.4101.3169.8-104.1178.4172.4178.20108.2A2 T6A2-K4 PolarHBondContact O-N 3.29Å; K4-T6 PolarHBondContact O-N 2.99Å
5D55.1Low57.3Low157 Ų157149.5 Ų149.584%0.8482%0.821SS**  trans-69.6103.3162.3-76.4-46.6000108.6G7D5-G7 PolarHBondContact O-N 3.18Å
6T56.8Low58.6Low133 Ų133143.9 Ų143.982%0.81680%0.801SS**  trans-75.6104.6168.848.90000108.3K4 K8K4-T6 PolarHBondContact O-N 2.99Å; T6-K8 PolarHBondContact O-N 3.41Å
7G52.6Low60.1Low68 Ų68143.1 Ų143.170%0.70179%0.793SS**  trans-53128.2175.100000112D5 T9D5-G7 PolarHBondContact O-N 3.18Å; G7-T9 PolarHBondContact O-N 3.17Å; G7-T9 VanDerWaalsContact O-N 3.1Å
8K52.7Low61.6Low208 Ų208137.9 Ų137.990%0.90476%0.762SS**  trans-55109162.7-98172.6170173.60108.6T6T6-K8 PolarHBondContact O-N 3.41Å
9T57Low63Low119 Ų119139.9 Ų139.973%0.7376%0.757SS**  trans-58.8129.4158.833.70000108.6G7 V11G7-T9 PolarHBondContact O-N 3.17Å; G7-T9 VanDerWaalsContact O-N 3.1Å; T9-V11 PolarHBondContact O-N 2.89Å; T9-V11 VanDerWaalsContact O-N 3.14Å
10P56.6Low64.4Low121 Ų121133.1 Ų133.179%0.78672%0.72SS**  trans-65.9116.6174.227.2-29.8000107.7E12P10-E12 PolarHBondContact O-N 3.11Å
11V59.2Low65.7Low129 Ų129132.2 Ų132.278%0.78271%0.706SS**  trans-67.3113171.4-176.40000106T9T9-V11 PolarHBondContact O-N 2.89Å; T9-V11 VanDerWaalsContact O-N 3.14Å
12E59.9Low67.7Low169 Ų169120.7 Ų120.779%0.7965%0.649SS**  trans-54.6134.4173-68.5-175.4161.700108.7P10 E14P10-E12 PolarHBondContact O-N 3.11Å; E12-E14 PolarHBondContact O-N 3.35Å; E12-E14 VanDerWaalsContact O-N 3.09Å
13P62.7Low69.7Low112 Ų112116 Ų11673%0.72761%0.61SS**  trans-61.1120.8-177.625.4-32.4000108.5V15P13-V15 WeakPolarHBondContact O-CG2 3.32Å; P13-V15 PolarHBondContact O-N 2.91Å
14E62.7Low71.6Confident187 Ų187106.6 Ų106.687%0.87457%0.569SS**  trans-54.1112.2174.7-69.1-174.2166.300108.7E12 A16E12-E14 PolarHBondContact O-N 3.35Å; E12-E14 VanDerWaalsContact O-N 3.09Å; E14-A16 PolarHBondContact O-N 2.91Å
15V71.2Confident73.3Confident98 Ų9898.4 Ų98.459%0.59454%0.535SS*.  trans-73.899.6-171.8176.10000108.4P13 I17 P94P13-V15 WeakPolarHBondContact O-CG2 3.32Å; P13-V15 PolarHBondContact O-N 2.91Å; V15-I17 PolarHBondContact O-N 3.34Å; V15-P94 HydrophobicContact CG1-CB 3.25Å; V15-P94 HydrophobicContact CG1-CG 3.57Å
16A78.8Confident75.2Confident60 Ų6091.4 Ų91.450%0.49650%0.498SS..  trans-57123.7-179.600000111.1E14 H18E14-A16 PolarHBondContact O-N 2.91Å; A16-H18 PolarHBondContact O-CD2 3.28Å
17I83.4Confident77Confident130 Ų13093.4 Ų93.467%0.66749%0.491SS*.  trans-90.9110.7-179.8-57.4173.9000108V15V15-I17 PolarHBondContact O-N 3.34Å
18H86.8Confident78.9Confident49 Ų4994.3 Ų94.323%0.22748%0.48CS..EExtended strand (participates in β ladder)trans-97.8155.6176.7-60.1-89.3000111.7A16 I20 S93 I116 D118A16-H18 PolarHBondContact O-CD2 3.28Å; H18-I20 HydrophobicContact CB-CD1 4.36Å; H18-I20 HydrophobicContact CB-CG1 4.01Å; H18-S93 PolarHBondContact N-O 3.41Å; H18-S93 PolarHBondContact O-N 2.86Å; H18-I116 HydrophobicContact CB-CG2 3.76Å; H18-D118 IonicContact CE1-OD1 3.08Å; H18-D118 PolarHBondContact CE1-OD1 2.97Å; H18-D118 IonicContact ND1-OD1 3.47Å; H18-D118 PolarHBondContact ND1-OD1 3.47Å; H18-D118 VanDerWaalsContact ND1-OD1 3.08Å
19R88.7Confident80.9Confident177 Ų17786.7 Ų86.767%0.66845%0.451SS*.EExtended strand (participates in β ladder)trans-87.8108.9166.3-60.8-167.7170.8175.1-2.2107.8A117R19-A117 HydrophobicContact CB-CB 4.38Å; R19-A117 PolarHBondContact O-N 3.03Å
20I91.1Very high82.6Confident3 Ų389.3 Ų89.32%0.01545%0.452CS..EExtended strand (participates in β ladder)trans-110.5130.4-174.4-58.1173.6000108.9H18 D90 L91 S93 V98 V114 I116H18-I20 HydrophobicContact CB-CD1 4.36Å; H18-I20 HydrophobicContact CB-CG1 4.01Å; I20-D90 WeakPolarHBondContact O-CA 3.46Å; I20-L91 PolarHBondContact N-O 2.85Å; I20-L91 PolarHBondContact O-N 2.83Å; I20-S93 WeakPolarHBondContact CD1-O 3.28Å; I20-V98 HydrophobicContact CD1-CB 4.19Å; I20-V98 HydrophobicContact CD1-CG2 3.53Å; I20-V98 HydrophobicContact CG2-CG1 4.25Å; I20-V98 HydrophobicContact CG2-CG2 4.5Å; I20-V114 HydrophobicContact CG2-CG1 3.53Å; I20-I116 HydrophobicContact CG1-CG1 4.28Å
21R91.9Very high84.2Confident115 Ų11584.3 Ų84.343%0.43442%0.42SS..EExtended strand (participates in β ladder)trans-110118.2174.3176.9165.9-71.5166.80.9109.3L88 D90 T115R21-L88 HydrophobicContact CG-CD2 4.39Å; R21-D90 WeakPolarHBondContact CB-OD1 3.46Å; R21-D90 WeakPolarHBondContact CG-OD1 3.42Å; R21-D90 IonicContact CZ-OD1 2.74Å; R21-D90 IonicContact CZ-OD2 3.3Å; R21-D90 IonicContact NE-OD1 3.94Å; R21-D90 PolarHBondContact NE-OD1 3.02Å; R21-D90 IonicContact NE-OD2 3.57Å; R21-D90 IonicContact NH2-OD1 2.75Å; R21-D90 PolarHBondContact NH2-OD1 3.02Å; R21-D90 IonicContact NH2-OD2 2.75Å; R21-D90 PolarHBondContact NH2-OD2 2.88Å; R21-T115 PolarHBondContact N-O 3.5Å; R21-T115 PolarHBondContact O-N 3.33Å
22I91.9Very high85.8Confident3 Ų378.1 Ų78.12%0.01538%0.382CS..EExtended strand (participates in β ladder)trans-95.7120.8171.8-55.7177.7000108.1L24 L39 L88 I89 L91 V98 T102 V112 V114I22-L24 HydrophobicContact CG2-CD2 3.97Å; I22-L24 HydrophobicContact CG2-CG 4.41Å; I22-L39 HydrophobicContact CG2-CD1 4.4Å; I22-L88 CarbonylContact O-C 3.55Å; I22-L88 WeakPolarHBondContact O-CA 3.45Å; I22-I89 HydrophobicContact CB-CB 4.38Å; I22-I89 PolarHBondContact N-O 3.39Å; I22-I89 PolarHBondContact O-N 3.37Å; I22-L91 HydrophobicContact CD1-CD1 3.59Å; I22-L91 HydrophobicContact CD1-CG 4.46Å; I22-L91 HydrophobicContact CG1-CD1 4.39Å; I22-V98 HydrophobicContact CD1-CG1 4.07Å; I22-T102 HydrophobicContact CD1-CG2 4.2Å; I22-V112 HydrophobicContact CG2-CG1 3.84Å; I22-V114 HydrophobicContact CG1-CG2 4.48Å
23T93.4Very high87.4Confident5 Ų574 Ų743%0.03136%0.363CS..EExtended strand (participates in β ladder)trans-103.4122.8174.7-68.50000109.1T25 K86 L88 V112 E113T23-T25 HydrophobicContact CG2-CG2 4.26Å; T23-K86 HydrophobicContact CG2-CD 4.28Å; T23-K86 HydrophobicContact CG2-CG 4.25Å; T23-L88 HydrophobicContact CG2-CD2 4.05Å; T23-L88 WeakPolarHBondContact OG1-CD2 3.45Å; T23-V112 WeakPolarHBondContact O-CA 3.38Å; T23-E113 HydrophobicContact CG2-CB 4.5Å; T23-E113 PolarHBondContact N-O 3.17Å; T23-E113 PolarHBondContact O-N 2.95Å
24L93.4Very high88.8Confident0 Ų073.9 Ų73.90%035%0.351CS..EExtended strand (participates in β ladder)trans-108.6127.6172.9-51.8173.4000109.4I22 L32 V35 C36 L39 K86 R87 I89 V110 E111 V112I22-L24 HydrophobicContact CG2-CD2 3.97Å; I22-L24 HydrophobicContact CG2-CG 4.41Å; L24-L32 HydrophobicContact CB-CD1 3.45Å; L24-L32 VanDerWaalsContact CB-CD1 3.45Å; L24-L32 HydrophobicContact CD1-CD1 4.4Å; L24-V35 HydrophobicContact CD1-CG1 4.39Å; L24-V35 HydrophobicContact CD2-CG1 4.27Å; L24-C36 HydrophobicContact CD1-CB 3.99Å; L24-L39 HydrophobicContact CD1-CD1 3.93Å; L24-L39 HydrophobicContact CD2-CD1 3.74Å; L24-L39 HydrophobicContact CG-CD1 4.35Å; L24-K86 CarbonylContact O-C 3.55Å; L24-K86 VanDerWaalsContact O-CA 3.29Å; L24-K86 WeakPolarHBondContact O-CA 3.29Å; L24-R87 HydrophobicContact CB-CB 4.29Å; L24-R87 HydrophobicContact CD1-CB 4.48Å; L24-R87 PolarHBondContact N-O 3.38Å; L24-R87 PolarHBondContact O-N 3.26Å; L24-I89 HydrophobicContact CD1-CD1 4.18Å; L24-V110 HydrophobicContact CB-CG1 4.42Å; L24-E111 WeakPolarHBondContact CA-O 3.48Å; L24-V112 HydrophobicContact CD2-CB 4.15Å; L24-V112 HydrophobicContact CD2-CG1 3.83Å; L24-V112 HydrophobicContact CD2-CG2 3.62Å
25T94.4Very high90.2Very high24 Ų2465.1 Ų65.115%0.14731%0.31CS..EExtended strand (participates in β ladder)trans-124.8132.5175.439.90000110.7T23 H85 K86 E111T23-T25 HydrophobicContact CG2-CG2 4.26Å; T25-H85 WeakPolarHBondContact CA-O 3.35Å; T25-K86 HydrophobicContact CG2-CB 4.08Å; T25-K86 HydrophobicContact CG2-CD 4.18Å; T25-K86 HydrophobicContact CG2-CG 3.87Å; T25-E111 PolarHBondContact N-O 2.89Å; T25-E111 PolarHBondContact O-N 2.97Å; T25-E111 VanDerWaalsContact OG1-CB 3.28Å; T25-E111 WeakPolarHBondContact OG1-CB 3.27Å; T25-E111 PolarHBondContact OG1-OE2 3.21Å
26S94.4Very high91.2Very high9 Ų961 Ų616%0.06329%0.285CS..EExtended strand (participates in β ladder)trans-155.4156.9173.5-169.70000112.2N28 H85 G109S26-N28 PolarHBondContact OG-N 3.29Å; S26-N28 PolarHBondContact OG-O 3.1Å; S26-H85 PolarHBondContact N-O 3.23Å; S26-H85 PolarHBondContact O-N 3.49Å; S26-G109 WeakPolarHBondContact CB-O 3.42Å; S26-G109 PolarHBondContact OG-O 3.03Å
27R94.8Very high91.8Very high176 Ų17660.8 Ų60.866%0.66428%0.284SS*.SBendtrans-80.5-27.8168.3-62.1-175.2-64.3134.7-3.7112.4M82 R83R27-M82 WeakPolarHBondContact CD-SD 3.48Å; R27-M82 HydrophobicContact CG-CG 4.23Å; R27-M82 HydrophobicContact CG-SD 4.14Å; R27-R83 WeakPolarHBondContact CA-O 3.41Å
28N92.8Very high92.2Very high86 Ų8656.6 Ų56.646%0.4626%0.263SS..  trans-102.5123.1-177.3-176.9-0.6000110.2S26 K30 S31 L32S26-N28 PolarHBondContact OG-N 3.29Å; S26-N28 PolarHBondContact OG-O 3.1Å; N28-K30 PolarHBondContact OD1-N 3.08Å; N28-S31 WeakPolarHBondContact CB-OG 3.45Å; N28-S31 PolarHBondContact O-OG 3.38Å; N28-L32 WeakPolarHBondContact O-CB 3.34Å; N28-L32 PolarHBondContact O-N 3.18Å
29V93.1Very high92.4Very high49 Ų4954.6 Ų54.630%0.29725%0.254SS..Hα-helixtrans-67.5-39.8-179.3-178.40000111.4L32 E33 H85V29-L32 PolarHBondContact O-N 3.39Å; V29-E33 HydrophobicContact CG1-CG 4.09Å; V29-E33 WeakPolarHBondContact O-CB 3.26Å; V29-E33 WeakPolarHBondContact O-CG 3.41Å; V29-E33 PolarHBondContact O-N 2.83Å; V29-H85 VanDerWaalsContact CG2-CD2 3.42Å; V29-H85 WeakPolarHBondContact CG2-CD2 3.47Å; V29-H85 WeakPolarHBondContact CG2-NE2 3.45Å
30K92.7Very high92.5Very high174 Ų17447.7 Ų47.776%0.75723%0.23SC*.Hα-helixtrans-65.2-45.6-173.2-66.6-174.7178.7-177.30112N28 E33 K34N28-K30 PolarHBondContact OD1-N 3.08Å; K30-E33 PolarHBondContact O-N 3.17Å; K30-K34 WeakPolarHBondContact O-CB 3.49Å; K30-K34 PolarHBondContact O-N 2.97Å; K30-K34 VanDerWaalsContact O-N 3.08Å
31S92Very high92.5Very high15 Ų1554 Ų5411%0.10525%0.253CS..Hα-helixtrans-65.8-41.9176.653.20000111.4N28 E33 K34 V35N28-S31 WeakPolarHBondContact CB-OG 3.45Å; N28-S31 PolarHBondContact O-OG 3.38Å; S31-E33 VanDerWaalsContact C-N 3.35Å; S31-E33 PolarHBondContact O-N 3.37Å; S31-K34 PolarHBondContact O-N 2.75Å; S31-V35 WeakPolarHBondContact O-CG2 3.49Å; S31-V35 PolarHBondContact O-N 2.79Å
32L92.7Very high92.4Very high0 Ų049.1 Ų49.10%024%0.239CC..Hα-helixtrans-60.9-41.8177.7-174.463.4000112.7L24 N28 V29 C36 H85 R87 V110L24-L32 HydrophobicContact CB-CD1 3.45Å; L24-L32 VanDerWaalsContact CB-CD1 3.45Å; L24-L32 HydrophobicContact CD1-CD1 4.4Å; N28-L32 WeakPolarHBondContact O-CB 3.34Å; N28-L32 PolarHBondContact O-N 3.18Å; V29-L32 PolarHBondContact O-N 3.39Å; L32-C36 WeakPolarHBondContact O-CB 3.2Å; L32-C36 PolarHBondContact O-N 2.95Å; L32-H85 HydrophobicContact CD2-CB 3.47Å; L32-H85 VanDerWaalsContact CD2-CB 3.47Å; L32-R87 HydrophobicContact CD1-CG 4.27Å; L32-R87 HydrophobicContact CD2-CG 3.84Å; L32-R87 HydrophobicContact CG-CG 3.92Å; L32-V110 HydrophobicContact CD1-CG1 3.91Å
33E92.6Very high92.3Very high83 Ų8349 Ų4939%0.38824%0.239SC..Hα-helixtrans-71.4-37.1178.9-71.7-171.9155.900112.3V29 K30 S31 C36 A37 R55 R87V29-E33 HydrophobicContact CG1-CG 4.09Å; V29-E33 WeakPolarHBondContact O-CB 3.26Å; V29-E33 WeakPolarHBondContact O-CG 3.41Å; V29-E33 PolarHBondContact O-N 2.83Å; K30-E33 PolarHBondContact O-N 3.17Å; S31-E33 VanDerWaalsContact C-N 3.35Å; S31-E33 PolarHBondContact O-N 3.37Å; E33-C36 PolarHBondContact O-N 3.3Å; E33-A37 WeakPolarHBondContact O-CB 3.38Å; E33-A37 PolarHBondContact O-N 3.25Å; E33-R55 IonicContact OE1-NH2 3.29Å; E33-R55 PolarHBondContact OE1-NH2 3.37Å; E33-R87 IonicContact OE1-NH2 3.8Å
34K92.1Very high92.1Very high109 Ų10955.6 Ų55.647%0.47427%0.267SS..Hα-helixtrans-58.9-54.2171.7-175.4-172.3172.3-160.10111.2K30 S31 C36 A37 D38 E107K30-K34 WeakPolarHBondContact O-CB 3.49Å; K30-K34 PolarHBondContact O-N 2.97Å; K30-K34 VanDerWaalsContact O-N 3.08Å; S31-K34 PolarHBondContact O-N 2.75Å; K34-C36 VanDerWaalsContact C-N 3.32Å; K34-C36 PolarHBondContact O-N 3.45Å; K34-A37 PolarHBondContact O-N 3.49Å; K34-A37 VanDerWaalsContact O-N 3.12Å; K34-D38 PolarHBondContact O-N 3.43Å; K34-E107 IonicContact NZ-OE2 2.97Å; K34-E107 PolarHBondContact NZ-OE2 3.33Å
35V92.2Very high92Very high2 Ų261.9 Ų61.91%0.01230%0.296CS..Hα-helixtrans-60.3-42.1178.8174.60000111.4L24 S31 A37 D38 L39 E107 V110L24-V35 HydrophobicContact CD1-CG1 4.39Å; L24-V35 HydrophobicContact CD2-CG1 4.27Å; S31-V35 WeakPolarHBondContact O-CG2 3.49Å; S31-V35 PolarHBondContact O-N 2.79Å; V35-A37 VanDerWaalsContact C-N 3.33Å; V35-A37 PolarHBondContact O-N 2.92Å; V35-D38 PolarHBondContact O-N 3.12Å; V35-L39 HydrophobicContact CG1-CD1 3.95Å; V35-L39 HydrophobicContact CG1-CG 4.3Å; V35-L39 WeakPolarHBondContact O-CB 3.33Å; V35-L39 WeakPolarHBondContact O-CG 3.21Å; V35-L39 PolarHBondContact O-N 3.08Å; V35-E107 HydrophobicContact CG2-CB 3.46Å; V35-E107 VanDerWaalsContact CG2-CB 3.46Å; V35-E107 HydrophobicContact CG2-CG 4.39Å; V35-V110 HydrophobicContact CB-CG1 4.48Å; V35-V110 HydrophobicContact CG1-CG1 4.37Å; V35-V110 HydrophobicContact CG2-CB 4.33Å; V35-V110 HydrophobicContact CG2-CG1 4.47Å; V35-V110 HydrophobicContact CG2-CG2 4.02Å
36C92.3Very high91.6Very high11 Ų1164.2 Ų64.27%0.07430%0.304CS..Hα-helixtrans-60.9-41.3176.6-174.30000112.2L24 L32 E33 K34 I40 P53L24-C36 HydrophobicContact CD1-CB 3.99Å; L32-C36 WeakPolarHBondContact O-CB 3.2Å; L32-C36 PolarHBondContact O-N 2.95Å; E33-C36 PolarHBondContact O-N 3.3Å; K34-C36 VanDerWaalsContact C-N 3.32Å; K34-C36 PolarHBondContact O-N 3.45Å; C36-I40 WeakPolarHBondContact O-CD1 3.43Å; C36-I40 WeakPolarHBondContact O-CG1 3.33Å; C36-I40 PolarHBondContact O-N 3.43Å; C36-P53 WeakPolarHBondContact SG-CB 3.42Å
37A91.7Very high91.3Very high56 Ų5671 Ų7146%0.46334%0.34SS..Hα-helixtrans-68-42.9177.600000111.7E33 K34 V35 I40 R41E33-A37 WeakPolarHBondContact O-CB 3.38Å; E33-A37 PolarHBondContact O-N 3.25Å; K34-A37 PolarHBondContact O-N 3.49Å; K34-A37 VanDerWaalsContact O-N 3.12Å; V35-A37 VanDerWaalsContact C-N 3.33Å; V35-A37 PolarHBondContact O-N 2.92Å; A37-I40 PolarHBondContact O-N 3.36Å; A37-R41 WeakPolarHBondContact O-CB 3.44Å; A37-R41 PolarHBondContact O-N 2.94Å
38D91Very high90.8Very high43 Ų4363.8 Ų63.823%0.2331%0.314CS..Hα-helixtrans-63.9-42.1178.5-71.6-34.8000111.9K34 V35 I40 R41 G42K34-D38 PolarHBondContact O-N 3.43Å; V35-D38 PolarHBondContact O-N 3.12Å; D38-I40 PolarHBondContact O-N 3.36Å; D38-R41 PolarHBondContact O-N 2.93Å; D38-R41 IonicContact OD1-CZ 3.52Å; D38-R41 VanDerWaalsContact OD1-CZ 3.3Å; D38-R41 IonicContact OD1-NH1 3.17Å; D38-R41 PolarHBondContact OD1-NH1 3.35Å; D38-R41 IonicContact OD1-NH2 3.41Å; D38-R41 PolarHBondContact OD1-NH2 3.19Å; D38-G42 PolarHBondContact O-N 3.45Å
39L90.3Very high90.6Very high7 Ų767.6 Ų67.64%0.03733%0.327CS..Hα-helixtrans-62.9-41.8175.3-75.1174.4000112.4I22 L24 V35 R41 A43 I89 I101 S105I22-L39 HydrophobicContact CG2-CD1 4.4Å; L24-L39 HydrophobicContact CD1-CD1 3.93Å; L24-L39 HydrophobicContact CD2-CD1 3.74Å; L24-L39 HydrophobicContact CG-CD1 4.35Å; V35-L39 HydrophobicContact CG1-CD1 3.95Å; V35-L39 HydrophobicContact CG1-CG 4.3Å; V35-L39 WeakPolarHBondContact O-CB 3.33Å; V35-L39 WeakPolarHBondContact O-CG 3.21Å; V35-L39 PolarHBondContact O-N 3.08Å; L39-R41 VanDerWaalsContact C-N 3.35Å; L39-A43 WeakPolarHBondContact O-CB 3.45Å; L39-A43 PolarHBondContact O-N 3.29Å; L39-I89 HydrophobicContact CB-CD1 4.25Å; L39-I89 HydrophobicContact CD1-CD1 4.33Å; L39-I101 HydrophobicContact CD2-CG2 3.67Å; L39-S105 VanDerWaalsContact CD2-OG 3.22Å; L39-S105 WeakPolarHBondContact CD2-OG 3.44Å
40I91.1Very high90.4Very high31 Ų3167.3 Ų67.316%0.15933%0.325CS..Hα-helixtrans-66.7-39.4176.7-67.6164.6000110.6C36 A37 D38 K44 P53 I89C36-I40 WeakPolarHBondContact O-CD1 3.43Å; C36-I40 WeakPolarHBondContact O-CG1 3.33Å; C36-I40 PolarHBondContact O-N 3.43Å; A37-I40 PolarHBondContact O-N 3.36Å; D38-I40 PolarHBondContact O-N 3.36Å; I40-K44 HydrophobicContact CG2-CD 4.2Å; I40-K44 WeakPolarHBondContact O-CB 3.5Å; I40-K44 VanDerWaalsContact O-CG 3.32Å; I40-K44 WeakPolarHBondContact O-CG 3.47Å; I40-K44 PolarHBondContact O-N 2.95Å; I40-P53 HydrophobicContact CD1-CB 4.34Å; I40-P53 HydrophobicContact CD1-CG 3.73Å; I40-I89 HydrophobicContact CG1-CD1 4.29Å
41R91.3Very high90.2Very high136 Ų13665.4 Ų65.451%0.51332%0.317SS..Hα-helixtrans-62-51.3175.6-173.8178.867-127-16.8110.7A37 D38 L39 A43 K44 E45A37-R41 WeakPolarHBondContact O-CB 3.44Å; A37-R41 PolarHBondContact O-N 2.94Å; D38-R41 PolarHBondContact O-N 2.93Å; D38-R41 IonicContact OD1-CZ 3.52Å; D38-R41 VanDerWaalsContact OD1-CZ 3.3Å; D38-R41 IonicContact OD1-NH1 3.17Å; D38-R41 PolarHBondContact OD1-NH1 3.35Å; D38-R41 IonicContact OD1-NH2 3.41Å; D38-R41 PolarHBondContact OD1-NH2 3.19Å; L39-R41 VanDerWaalsContact C-N 3.35Å; R41-A43 VanDerWaalsContact C-N 3.31Å; R41-A43 PolarHBondContact O-N 3.5Å; R41-K44 PolarHBondContact O-N 3.41Å; R41-K44 VanDerWaalsContact O-N 3.11Å; R41-E45 WeakPolarHBondContact CG-OE1 3.41Å; R41-E45 IonicContact NE-OE1 3.72Å; R41-E45 WeakPolarHBondContact O-CG 3.07Å; R41-E45 PolarHBondContact O-N 3.24Å
42G90.1Very high89.4Confident12 Ų1266.4 Ų66.412%0.12433%0.329CS..Hα-helixtrans-62.4-34.8179.200000113.6D38 K46D38-G42 PolarHBondContact O-N 3.45Å; G42-K46 PolarHBondContact O-N 3.14Å
43A90Very high89.3Confident2 Ų268.5 Ų68.52%0.01734%0.343CS..Hα-helixtrans-69.5-36.8174.100000112.7L39 R41 K46 N47 L48 V50 L91 I101L39-A43 WeakPolarHBondContact O-CB 3.45Å; L39-A43 PolarHBondContact O-N 3.29Å; R41-A43 VanDerWaalsContact C-N 3.31Å; R41-A43 PolarHBondContact O-N 3.5Å; A43-K46 PolarHBondContact O-N 3.37Å; A43-N47 PolarHBondContact O-N 3.31Å; A43-L48 HydrophobicContact CB-CB 4.43Å; A43-L48 HydrophobicContact CB-CD1 4.49Å; A43-L48 WeakPolarHBondContact O-CB 3.36Å; A43-L48 PolarHBondContact O-N 2.95Å; A43-V50 HydrophobicContact CB-CG2 3.4Å; A43-L91 HydrophobicContact CB-CD2 4.27Å; A43-I101 HydrophobicContact CB-CD1 4.3Å
44K89.4Confident89.4Confident142 Ų14267.9 Ų67.962%0.61735%0.345SS*.Hα-helixtrans-69.4-40.8175-75.7178177.8-175.70112.5I40 R41 K46 N47I40-K44 HydrophobicContact CG2-CD 4.2Å; I40-K44 WeakPolarHBondContact O-CB 3.5Å; I40-K44 VanDerWaalsContact O-CG 3.32Å; I40-K44 WeakPolarHBondContact O-CG 3.47Å; I40-K44 PolarHBondContact O-N 2.95Å; R41-K44 PolarHBondContact O-N 3.41Å; R41-K44 VanDerWaalsContact O-N 3.11Å; K44-K46 PolarHBondContact O-N 3.09Å; K44-N47 PolarHBondContact O-N 3.2Å
45E90.6Very high89.5Confident133 Ų13369.7 Ų69.762%0.62135%0.349SS*.Hα-helixtrans-58.3-35175.9-74.5170-172.100112R41 N47R41-E45 WeakPolarHBondContact CG-OE1 3.41Å; R41-E45 IonicContact NE-OE1 3.72Å; R41-E45 WeakPolarHBondContact O-CG 3.07Å; R41-E45 PolarHBondContact O-N 3.24Å; E45-N47 VanDerWaalsContact C-N 3.32Å
46K87.5Confident89.6Confident73 Ų7373.1 Ų73.132%0.31737%0.365SS..THydrogen-bonded Turntrans-89.912.9176.2-59.8-169.1-170.6-178.80114.1G42 A43 K44 L48 I97 Q100 I101G42-K46 PolarHBondContact O-N 3.14Å; A43-K46 PolarHBondContact O-N 3.37Å; K44-K46 PolarHBondContact O-N 3.09Å; K46-L48 HydrophobicContact CB-CG 4.25Å; K46-L48 PolarHBondContact O-N 3.03Å; K46-I97 HydrophobicContact CB-CG2 4.36Å; K46-I97 HydrophobicContact CD-CG2 3.44Å; K46-I97 VanDerWaalsContact CD-CG2 3.44Å; K46-Q100 VanDerWaalsContact NZ-CB 3.32Å; K46-I101 HydrophobicContact CD-CD1 4.11Å; K46-I101 HydrophobicContact CD-CG1 4.05Å
47N86.5Confident89.8Confident151 Ų15177.6 Ų77.681%0.80739%0.394SS*.THydrogen-bonded Turntrans5532179.5-61.5-61.2000114.7A43 K44 E45A43-N47 PolarHBondContact O-N 3.31Å; K44-N47 PolarHBondContact O-N 3.2Å; E45-N47 VanDerWaalsContact C-N 3.32Å
48L85.6Confident90Very high24 Ų2477.6 Ų77.613%0.12639%0.388CS..  trans-80.6145.7176.9-59.8-178.2000111.5A43 K46 V50 I97 I101A43-L48 HydrophobicContact CB-CB 4.43Å; A43-L48 HydrophobicContact CB-CD1 4.49Å; A43-L48 WeakPolarHBondContact O-CB 3.36Å; A43-L48 PolarHBondContact O-N 2.95Å; K46-L48 HydrophobicContact CB-CG 4.25Å; K46-L48 PolarHBondContact O-N 3.03Å; L48-V50 PolarHBondContact O-N 2.89Å; L48-I97 HydrophobicContact CD1-CG2 3.83Å; L48-I97 HydrophobicContact CD2-CD1 4.41Å; L48-I97 HydrophobicContact CD2-CG2 4.4Å; L48-I97 HydrophobicContact CG-CG2 4.45Å; L48-I101 HydrophobicContact CD1-CD1 3.74Å
49K86.9Confident90.3Very high167 Ų16782.6 Ų82.673%0.72641%0.408SS*.EExtended strand (participates in β ladder)trans-75.5106.3171.3-70.9-176.7-179.51770109.4H92K49-H92 PolarHBondContact O-N 2.76Å
50V89.7Confident90.5Very high42 Ų4286 Ų8626%0.25543%0.429SS..EExtended strand (participates in β ladder)trans-98.1123.1178.4-1770000109.8A43 L48 I89 L91A43-V50 HydrophobicContact CB-CG2 3.4Å; L48-V50 PolarHBondContact O-N 2.89Å; V50-I89 HydrophobicContact CG1-CG2 3.96Å; V50-L91 HydrophobicContact CB-CD2 4.05Å; V50-L91 HydrophobicContact CG1-CD2 3.99Å; V50-L91 HydrophobicContact CG2-CD2 3.64Å
51K88.9Confident90.7Very high134 Ų13488.8 Ų88.858%0.58344%0.444SS*.EExtended strand (participates in β ladder)trans-94.2107162.8-175.3178.1-176-178.40107.6D90K51-D90 HydrophobicContact CB-CB 4Å; K51-D90 HydrophobicContact CD-CB 4.43Å; K51-D90 PolarHBondContact N-O 3.19Å; K51-D90 PolarHBondContact O-N 2.79Å; K51-D90 VanDerWaalsContact O-N 3.17Å
52G75.1Confident91Very high36 Ų3689.7 Ų89.737%0.37145%0.448SS..EExtended strand (participates in β ladder)trans-63.5172.4-160.600000116.1V54G52-V54 PolarHBondContact O-N 2.88Å; G52-V54 VanDerWaalsContact O-N 3.08Å
53P89.8Confident91.3Very high45 Ų4594.4 Ų94.429%0.29247%0.469SS..EExtended strand (participates in β ladder)trans-69109.8-155.327.5-35.1000111.8C36 I40 R55 L88 I89C36-P53 WeakPolarHBondContact SG-CB 3.42Å; I40-P53 HydrophobicContact CD1-CB 4.34Å; I40-P53 HydrophobicContact CD1-CG 3.73Å; P53-R55 PolarHBondContact O-N 2.84Å; P53-L88 CarbonylContact C-O 3.48Å; P53-L88 VanDerWaalsContact CA-O 3.26Å; P53-L88 WeakPolarHBondContact CA-O 3.33Å; P53-I89 HydrophobicContact CB-CG1 4.23Å
54V94.6Very high91.6Very high69 Ų6998.4 Ų98.442%0.41849%0.493SS..EExtended strand (participates in β ladder)trans-79.5117.1173.8-177.40000108.2G52 M56 R87 L88G52-V54 PolarHBondContact O-N 2.88Å; G52-V54 VanDerWaalsContact O-N 3.08Å; V54-M56 PolarHBondContact O-N 3.39Å; V54-R87 WeakPolarHBondContact O-CA 3.11Å; V54-L88 HydrophobicContact CB-CB 4.3Å; V54-L88 PolarHBondContact N-O 2.8Å; V54-L88 PolarHBondContact O-N 2.83Å
55R95.3Very high91.8Very high148 Ų14894.5 Ų94.556%0.55848%0.481SS*.EExtended strand (participates in β ladder)trans-78.5108176-66.1-167.8155.873.3-4108.6E33 P53 R87E33-R55 IonicContact OE1-NH2 3.29Å; E33-R55 PolarHBondContact OE1-NH2 3.37Å; P53-R55 PolarHBondContact O-N 2.84Å; R55-R87 VanDerWaalsContact CD-NH1 3.3Å; R55-R87 VanDerWaalsContact NE-CZ 3.27Å; R55-R87 VanDerWaalsContact NE-NH2 3.15Å
56M95Very high91.9Very high74 Ų7492.1 Ų92.137%0.36547%0.466SS..EExtended strand (participates in β ladder)trans-75.6151.6172.6-68.5-60.8-71.700110.1V54 T58 K86 L88V54-M56 PolarHBondContact O-N 3.39Å; M56-T58 PolarHBondContact O-N 3.41Å; M56-K86 HydrophobicContact CB-CB 3.9Å; M56-K86 HydrophobicContact CB-CD 4.33Å; M56-K86 HydrophobicContact CB-CG 4.05Å; M56-K86 HydrophobicContact CG-CD 4.32Å; M56-K86 HydrophobicContact CG-CG 4.18Å; M56-K86 PolarHBondContact N-O 2.98Å; M56-L88 HydrophobicContact CG-CD1 3.69Å; M56-L88 HydrophobicContact CG-CG 3.81Å; M56-L88 HydrophobicContact SD-CD1 3.72Å; M56-L88 HydrophobicContact SD-CG 4.47Å
57P96.4Very high92.2Very high104 Ų10494.3 Ų94.368%0.67548%0.476SS*.EExtended strand (participates in β ladder)trans-51.4134.4174.4-27.535.4000111.7K59P57-K59 PolarHBondContact O-N 2.74Å
58T96.2Very high92.4Very high56 Ų5688.7 Ų88.734%0.34445%0.447SS..EExtended strand (participates in β ladder)trans-73.1123.7178.8-620000109M56 R83 I84 H85M56-T58 PolarHBondContact O-N 3.41Å; T58-R83 HydrophobicContact CG2-CB 3.88Å; T58-R83 HydrophobicContact CG2-CG 4.43Å; T58-I84 WeakPolarHBondContact CA-O 3.42Å; T58-I84 WeakPolarHBondContact CG2-O 3.41Å; T58-H85 VanDerWaalsContact CG2-CE1 3.41Å; T58-H85 WeakPolarHBondContact CG2-CE1 3.43Å; T58-H85 WeakPolarHBondContact CG2-ND1 3.36Å; T58-H85 PolarHBondContact OG1-ND1 3.06Å
59K95.4Very high92.7Very high148 Ų14894.1 Ų94.164%0.64348%0.484SS*.EExtended strand (participates in β ladder)trans-80.3127.2175.5-64.9-174.8178.6-175.90109.1P57 R83 I84P57-K59 PolarHBondContact O-N 2.74Å; K59-R83 WeakPolarHBondContact O-CA 3.41Å; K59-I84 HydrophobicContact CB-CB 4.46Å; K59-I84 PolarHBondContact N-O 2.99Å; K59-I84 PolarHBondContact O-N 3.45Å
60T96.1Very high92.7Very high79 Ų7989.7 Ų89.749%0.48547%0.473SS..EExtended strand (participates in β ladder)trans-101.8107.9174.456.90000109.5R83T60-R83 HydrophobicContact CG2-CG 4.33Å
61L95.2Very high92.5Very high90 Ų9090.5 Ų90.547%0.47149%0.49SS..EExtended strand (participates in β ladder)trans-86.6123.9171-57.1-179.6000108.3Q81 M82 I84L61-Q81 WeakPolarHBondContact O-CA 3.24Å; L61-M82 HydrophobicContact CB-CB 4.33Å; L61-M82 PolarHBondContact N-O 3.09Å; L61-M82 PolarHBondContact O-N 2.91Å; L61-I84 HydrophobicContact CD1-CD1 3.67Å; L61-I84 HydrophobicContact CD1-CG1 4.49Å; L61-I84 HydrophobicContact CG-CD1 4.3Å
62R96.5Very high92.2Very high155 Ų15593 Ų9359%0.58550%0.504SS*.EExtended strand (participates in β ladder)trans-123.2127-176.8-61.717863.8151.9-3.2108.6F80 Q81R62-F80 WeakPolarHBondContact CA-O 3.42Å; R62-Q81 HydrophobicContact CG-CG 4.24Å
63I96.5Very high92.6Very high111 Ų11192.4 Ų92.457%0.56950%0.497SS*.EExtended strand (participates in β ladder)trans-124.5128.1173.4-61176.4000107T65 F80I63-T65 HydrophobicContact CG2-CG2 3.95Å; I63-F80 PolarHBondContact N-O 3.18Å; I63-F80 PolarHBondContact O-N 3.41Å
64T96.1Very high92.5Very high85 Ų8593.8 Ų93.852%0.52151%0.508SS..EExtended strand (participates in β ladder)trans-112.9119.5174.255.90000109.1D78 R79T64-D78 VanDerWaalsContact CA-O 3.27Å; T64-D78 WeakPolarHBondContact CA-O 3.37Å; T64-R79 HydrophobicContact CG2-CG 4.05Å
65T94Very high92.3Very high61 Ų6199.4 Ų99.437%0.37453%0.527SS..EExtended strand (participates in β ladder)trans-122.5148.1178.848.70000109.8I63 W77 D78I63-T65 HydrophobicContact CG2-CG2 3.95Å; T65-W77 CarbonylContact O-C 3.57Å; T65-W77 WeakPolarHBondContact O-CA 3.38Å; T65-D78 PolarHBondContact N-O 2.98Å; T65-D78 VanDerWaalsContact N-O 3.16Å; T65-D78 PolarHBondContact O-N 3.34Å
66R92.7Very high92.2Very high82 Ų8295.1 Ų95.131%0.30952%0.517SS..EExtended strand (participates in β ladder)trans-68.6137.9169.6-167.9177.3-179.9177.5-2.2108.2T68 G71 G73 W77R66-T68 VanDerWaalsContact C-N 3.32Å; R66-T68 PolarHBondContact NE-OG1 3.45Å; R66-G71 PolarHBondContact NH2-O 3.03Å; R66-G73 PolarHBondContact NH2-O 3.32Å; R66-W77 HydrophobicContact CB-CD2 4.49Å; R66-W77 HydrophobicContact CB-CE3 4.1Å; R66-W77 HydrophobicContact CB-CH2 4.33Å; R66-W77 HydrophobicContact CB-CZ3 4.02Å
67K93.4Very high92.1Very high119 Ų11999 Ų9952%0.51753%0.528SS..SBendtrans-64.5-40177.2-72.4-168.1168.3-177.30112T76 D78K67-T76 PolarHBondContact N-O 2.93Å; K67-D78 WeakPolarHBondContact CE-OD1 3.49Å; K67-D78 WeakPolarHBondContact CE-OD2 3.42Å; K67-D78 WeakPolarHBondContact CG-OD2 3.22Å; K67-D78 IonicContact NZ-OD1 3.74Å; K67-D78 PolarHBondContact NZ-OD1 2.75Å
68T91.1Very high92.1Very high34 Ų3496.6 Ų96.621%0.20951%0.509CS..  trans-89.5137.6-17757.70000111.4R66 C70R66-T68 VanDerWaalsContact C-N 3.32Å; R66-T68 PolarHBondContact NE-OG1 3.45Å; T68-C70 PolarHBondContact OG1-O 3.49Å
69P91.6Very high92.1Very high138 Ų138103 Ų10390%0.89653%0.527SS*.SBendtrans-76.4-21.1177.230.9-35.2000113.2
70C87.5Confident92.1Very high73 Ų73101.7 Ų101.749%0.49352%0.522SS..SBendtrans-107.4163.7-176.661.30000113.7T68T68-C70 PolarHBondContact OG1-O 3.49Å
71G84.2Confident92.1Very high59 Ų59102.8 Ų102.861%0.60852%0.522SS*.THydrogen-bonded Turntrans-66.4-38.8179.600000114.1R66 G73R66-G71 PolarHBondContact NH2-O 3.03Å; G71-G73 PolarHBondContact O-N 3.06Å; G71-G73 VanDerWaalsContact O-N 3.17Å
72E83.2Confident92.1Very high188 Ų188102.5 Ų102.588%0.87952%0.519SS*.THydrogen-bonded Turntrans-79.814.5-175.1-64.6-57.8144.900114.7
73G83.2Confident92.1Very high22 Ų22102 Ų10223%0.22752%0.517CS..SBendtrans-91.3168.8178.100000114.5R66 G71R66-G73 PolarHBondContact NH2-O 3.32Å; G71-G73 PolarHBondContact O-N 3.06Å; G71-G73 VanDerWaalsContact O-N 3.17Å
74S88.4Confident92Very high74 Ų7499.1 Ų99.152%0.51750%0.502SS..  trans-56.4142.8170.270.30000111.6T76S74-T76 PolarHBondContact O-N 3.41Å; S74-T76 PolarHBondContact OG-OG1 3.19Å; S74-T76 VanDerWaalsContact OG-OG1 3.08Å
75K90Very high92Very high187 Ų18796.1 Ų96.181%0.81348%0.482SS*.  trans-78.950-179.6-62.5-179.8-177.4176.70111.8
76T93.4Very high92Very high59 Ų5996.5 Ų96.536%0.36248%0.479SS..  trans-100.3143.3-179.855.70000111.3K67 S74K67-T76 PolarHBondContact N-O 2.93Å; S74-T76 PolarHBondContact O-N 3.41Å; S74-T76 PolarHBondContact OG-OG1 3.19Å; S74-T76 VanDerWaalsContact OG-OG1 3.08Å
77W94.1Very high92.1Very high155 Ų15593.5 Ų93.559%0.58747%0.467SS*.EExtended strand (participates in β ladder)trans-129.5135.7-172.4-6181.9000110.5T65 R66T65-W77 CarbonylContact O-C 3.57Å; T65-W77 WeakPolarHBondContact O-CA 3.38Å; R66-W77 HydrophobicContact CB-CD2 4.49Å; R66-W77 HydrophobicContact CB-CE3 4.1Å; R66-W77 HydrophobicContact CB-CH2 4.33Å; R66-W77 HydrophobicContact CB-CZ3 4.02Å
78D94.9Very high92.1Very high54 Ų5488.8 Ų88.829%0.28945%0.448SS..EExtended strand (participates in β ladder)trans-88.9146.9167.4-79.2-38.4000110.8T64 T65 K67 F80T64-D78 VanDerWaalsContact CA-O 3.27Å; T64-D78 WeakPolarHBondContact CA-O 3.37Å; T65-D78 PolarHBondContact N-O 2.98Å; T65-D78 VanDerWaalsContact N-O 3.16Å; T65-D78 PolarHBondContact O-N 3.34Å; K67-D78 WeakPolarHBondContact CE-OD1 3.49Å; K67-D78 WeakPolarHBondContact CE-OD2 3.42Å; K67-D78 WeakPolarHBondContact CG-OD2 3.22Å; K67-D78 IonicContact NZ-OD1 3.74Å; K67-D78 PolarHBondContact NZ-OD1 2.75Å; D78-F80 HydrophobicContact CB-CD2 4.06Å; D78-F80 HydrophobicContact CB-CE2 3.39Å; D78-F80 HydrophobicContact CB-CZ 3.7Å
79R96Very high92.2Very high189 Ų18987.3 Ų87.371%0.71344%0.439SS*.EExtended strand (participates in β ladder)trans-124.285.5179.7-61.5-176.4175.9-179.5-1109T64T64-R79 HydrophobicContact CG2-CG 4.05Å
80F96.4Very high92.3Very high122 Ų12282 Ų8254%0.53540%0.402SS..EExtended strand (participates in β ladder)trans-77.7138177.1-61.2-74.6000110.5R62 I63 D78R62-F80 WeakPolarHBondContact CA-O 3.42Å; I63-F80 PolarHBondContact N-O 3.18Å; I63-F80 PolarHBondContact O-N 3.41Å; D78-F80 HydrophobicContact CB-CD2 4.06Å; D78-F80 HydrophobicContact CB-CE2 3.39Å; D78-F80 HydrophobicContact CB-CZ 3.7Å
81Q95.4Very high92.4Very high102 Ų10278.8 Ų78.848%0.47738%0.38SS..EExtended strand (participates in β ladder)trans-129.3137175.7-60.6-166.5-2.900110.6L61 R62L61-Q81 WeakPolarHBondContact O-CA 3.24Å; R62-Q81 HydrophobicContact CG-CG 4.24Å
82M95.1Very high92.5Very high84 Ų8479.6 Ų79.641%0.41437%0.368SS..EExtended strand (participates in β ladder)trans-124.4132.9166.5-174.6-177.8-65.300108.7R27 L61R27-M82 WeakPolarHBondContact CD-SD 3.48Å; R27-M82 HydrophobicContact CG-CG 4.23Å; R27-M82 HydrophobicContact CG-SD 4.14Å; L61-M82 HydrophobicContact CB-CB 4.33Å; L61-M82 PolarHBondContact N-O 3.09Å; L61-M82 PolarHBondContact O-N 2.91Å
83R95.8Very high92.6Very high143 Ų14370.7 Ų70.754%0.5433%0.327SS..EExtended strand (participates in β ladder)trans-106.8128.6176-64.5-173.4179.6-175.3-0.2108.8R27 T58 K59 T60R27-R83 WeakPolarHBondContact CA-O 3.41Å; T58-R83 HydrophobicContact CG2-CB 3.88Å; T58-R83 HydrophobicContact CG2-CG 4.43Å; K59-R83 WeakPolarHBondContact O-CA 3.41Å; T60-R83 HydrophobicContact CG2-CG 4.33Å
84I95.8Very high92.7Very high51 Ų5170.7 Ų70.726%0.26232%0.323SS..EExtended strand (participates in β ladder)trans-109.7115.6174.4-60.6173.5000107.4T58 K59 L61T58-I84 WeakPolarHBondContact CA-O 3.42Å; T58-I84 WeakPolarHBondContact CG2-O 3.41Å; K59-I84 HydrophobicContact CB-CB 4.46Å; K59-I84 PolarHBondContact N-O 2.99Å; K59-I84 PolarHBondContact O-N 3.45Å; L61-I84 HydrophobicContact CD1-CD1 3.67Å; L61-I84 HydrophobicContact CD1-CG1 4.49Å; L61-I84 HydrophobicContact CG-CD1 4.3Å
85H95.6Very high92.5Very high23 Ų2369.1 Ų69.111%0.10631%0.312CS..EExtended strand (participates in β ladder)trans-96130178.1-59.2-75.2000109.1T25 S26 V29 L32 T58T25-H85 WeakPolarHBondContact CA-O 3.35Å; S26-H85 PolarHBondContact N-O 3.23Å; S26-H85 PolarHBondContact O-N 3.49Å; V29-H85 VanDerWaalsContact CG2-CD2 3.42Å; V29-H85 WeakPolarHBondContact CG2-CD2 3.47Å; V29-H85 WeakPolarHBondContact CG2-NE2 3.45Å; L32-H85 HydrophobicContact CD2-CB 3.47Å; L32-H85 VanDerWaalsContact CD2-CB 3.47Å; T58-H85 VanDerWaalsContact CG2-CE1 3.41Å; T58-H85 WeakPolarHBondContact CG2-CE1 3.43Å; T58-H85 WeakPolarHBondContact CG2-ND1 3.36Å; T58-H85 PolarHBondContact OG1-ND1 3.06Å
86K95Very high92.3Very high69 Ų6965.3 Ų65.330%0.330%0.297SS..EExtended strand (participates in β ladder)trans-121.4133.1-179.6-175.6173.6-164.6174.90110.4T23 L24 T25 M56T23-K86 HydrophobicContact CG2-CD 4.28Å; T23-K86 HydrophobicContact CG2-CG 4.25Å; L24-K86 CarbonylContact O-C 3.55Å; L24-K86 VanDerWaalsContact O-CA 3.29Å; L24-K86 WeakPolarHBondContact O-CA 3.29Å; T25-K86 HydrophobicContact CG2-CB 4.08Å; T25-K86 HydrophobicContact CG2-CD 4.18Å; T25-K86 HydrophobicContact CG2-CG 3.87Å; M56-K86 HydrophobicContact CB-CB 3.9Å; M56-K86 HydrophobicContact CB-CD 4.33Å; M56-K86 HydrophobicContact CB-CG 4.05Å; M56-K86 HydrophobicContact CG-CD 4.32Å; M56-K86 HydrophobicContact CG-CG 4.18Å; M56-K86 PolarHBondContact N-O 2.98Å
87R94.9Very high91.9Very high19 Ų1964.8 Ų64.87%0.07229%0.291CS..EExtended strand (participates in β ladder)trans-124.9142.1173.4-53-62.1-173.6-147.57.7108.8L24 L32 E33 V54 R55L24-R87 HydrophobicContact CB-CB 4.29Å; L24-R87 HydrophobicContact CD1-CB 4.48Å; L24-R87 PolarHBondContact N-O 3.38Å; L24-R87 PolarHBondContact O-N 3.26Å; L32-R87 HydrophobicContact CD1-CG 4.27Å; L32-R87 HydrophobicContact CD2-CG 3.84Å; L32-R87 HydrophobicContact CG-CG 3.92Å; E33-R87 IonicContact OE1-NH2 3.8Å; V54-R87 WeakPolarHBondContact O-CA 3.11Å; R55-R87 VanDerWaalsContact CD-NH1 3.3Å; R55-R87 VanDerWaalsContact NE-CZ 3.27Å; R55-R87 VanDerWaalsContact NE-NH2 3.15Å
88L93.5Very high91.6Very high20 Ų2057.6 Ų57.611%0.10526%0.264CS..EExtended strand (participates in β ladder)trans-118.3134.7174.9-59.2176.9000109.2R21 I22 T23 P53 V54 M56R21-L88 HydrophobicContact CG-CD2 4.39Å; I22-L88 CarbonylContact O-C 3.55Å; I22-L88 WeakPolarHBondContact O-CA 3.45Å; T23-L88 HydrophobicContact CG2-CD2 4.05Å; T23-L88 WeakPolarHBondContact OG1-CD2 3.45Å; P53-L88 CarbonylContact C-O 3.48Å; P53-L88 VanDerWaalsContact CA-O 3.26Å; P53-L88 WeakPolarHBondContact CA-O 3.33Å; V54-L88 HydrophobicContact CB-CB 4.3Å; V54-L88 PolarHBondContact N-O 2.8Å; V54-L88 PolarHBondContact O-N 2.83Å; M56-L88 HydrophobicContact CG-CD1 3.69Å; M56-L88 HydrophobicContact CG-CG 3.81Å; M56-L88 HydrophobicContact SD-CD1 3.72Å; M56-L88 HydrophobicContact SD-CG 4.47Å
89I93Very high91.1Very high3 Ų361 Ų612%0.01528%0.276CS..EExtended strand (participates in β ladder)trans-124.2123.3172.6-57.2172.6000106.6I22 L24 L39 I40 V50 P53 L91I22-I89 HydrophobicContact CB-CB 4.38Å; I22-I89 PolarHBondContact N-O 3.39Å; I22-I89 PolarHBondContact O-N 3.37Å; L24-I89 HydrophobicContact CD1-CD1 4.18Å; L39-I89 HydrophobicContact CB-CD1 4.25Å; L39-I89 HydrophobicContact CD1-CD1 4.33Å; I40-I89 HydrophobicContact CG1-CD1 4.29Å; V50-I89 HydrophobicContact CG1-CG2 3.96Å; P53-I89 HydrophobicContact CB-CG1 4.23Å; I89-L91 HydrophobicContact CG2-CD2 4.06Å; I89-L91 HydrophobicContact CG2-CG 4.31Å
90D92Very high90.6Very high26 Ų2656.2 Ų56.214%0.13926%0.262CS..EExtended strand (participates in β ladder)trans-101.7130.2177.9-73.4-21.9000108.9I20 R21 K51I20-D90 WeakPolarHBondContact O-CA 3.46Å; R21-D90 WeakPolarHBondContact CB-OD1 3.46Å; R21-D90 WeakPolarHBondContact CG-OD1 3.42Å; R21-D90 IonicContact CZ-OD1 2.74Å; R21-D90 IonicContact CZ-OD2 3.3Å; R21-D90 IonicContact NE-OD1 3.94Å; R21-D90 PolarHBondContact NE-OD1 3.02Å; R21-D90 IonicContact NE-OD2 3.57Å; R21-D90 IonicContact NH2-OD1 2.75Å; R21-D90 PolarHBondContact NH2-OD1 3.02Å; R21-D90 IonicContact NH2-OD2 2.75Å; R21-D90 PolarHBondContact NH2-OD2 2.88Å; K51-D90 HydrophobicContact CB-CB 4Å; K51-D90 HydrophobicContact CD-CB 4.43Å; K51-D90 PolarHBondContact N-O 3.19Å; K51-D90 PolarHBondContact O-N 2.79Å; K51-D90 VanDerWaalsContact O-N 3.17Å
91L89.9Confident90.1Very high5 Ų550.9 Ų50.93%0.02624%0.239CC..EExtended strand (participates in β ladder)trans-124.6144.4-178.5-60.5179.3000110.6I20 I22 A43 V50 I89 V98I20-L91 PolarHBondContact N-O 2.85Å; I20-L91 PolarHBondContact O-N 2.83Å; I22-L91 HydrophobicContact CD1-CD1 3.59Å; I22-L91 HydrophobicContact CD1-CG 4.46Å; I22-L91 HydrophobicContact CG1-CD1 4.39Å; A43-L91 HydrophobicContact CB-CD2 4.27Å; V50-L91 HydrophobicContact CB-CD2 4.05Å; V50-L91 HydrophobicContact CG1-CD2 3.99Å; V50-L91 HydrophobicContact CG2-CD2 3.64Å; I89-L91 HydrophobicContact CG2-CD2 4.06Å; I89-L91 HydrophobicContact CG2-CG 4.31Å; L91-V98 HydrophobicContact CD1-CG2 4.15Å
92H87.4Confident89.6Confident76 Ų7647.3 Ų47.335%0.35222%0.224SC..EExtended strand (participates in β ladder)trans-111.997.9167.6-66.6-76.6000108.6K49K49-H92 PolarHBondContact O-N 2.76Å
93S83.9Confident88.8Confident2 Ų246.9 Ų46.91%0.01423%0.23CC..EExtended strand (participates in β ladder)trans-161.8159.2-173.356.60000111.3H18 I20 V98H18-S93 PolarHBondContact N-O 3.41Å; H18-S93 PolarHBondContact O-N 2.86Å; I20-S93 WeakPolarHBondContact CD1-O 3.28Å; S93-V98 WeakPolarHBondContact OG-CG2 3.45Å
94P85.9Confident87.8Confident22 Ų2246.9 Ų46.914%0.14324%0.239CC..  trans-60.1149.7165.524.3-32.7000112.2V15 E96 I97V15-P94 HydrophobicContact CG1-CB 3.25Å; V15-P94 HydrophobicContact CG1-CG 3.57Å; P94-E96 PolarHBondContact O-N 3.5Å; P94-I97 HydrophobicContact CG-CB 4.38Å; P94-I97 HydrophobicContact CG-CD1 3.58Å; P94-I97 HydrophobicContact CG-CG1 3.84Å; P94-I97 PolarHBondContact O-N 2.98Å
95S84.4Confident86.6Confident40 Ų4045.2 Ų45.228%0.2823%0.232SC..Hα-helixtrans-61.3-32.3-178.156.90000112.7V98 K99S95-V98 PolarHBondContact O-N 2.67Å; S95-K99 WeakPolarHBondContact O-CG 3.45Å; S95-K99 PolarHBondContact O-N 3.18Å
96E85.5Confident85.6Confident107 Ų10750 Ų5050%0.526%0.257SS..Hα-helixtrans-66.2-43-177.1-168.455.9-152.500112.9P94 V98 K99 Q100P94-E96 PolarHBondContact O-N 3.5Å; E96-V98 VanDerWaalsContact C-N 3.29Å; E96-V98 PolarHBondContact O-N 3.4Å; E96-K99 PolarHBondContact O-N 3.08Å; E96-K99 IonicContact OE2-NZ 3.4Å; E96-Q100 PolarHBondContact O-N 2.86Å
97I86.1Confident84.9Confident49 Ų4949.8 Ų49.825%0.25126%0.257SS..Hα-helixtrans-66.2-35.9179.3-59.7178.5000110.6K46 L48 P94 Q100 I101K46-I97 HydrophobicContact CB-CG2 4.36Å; K46-I97 HydrophobicContact CD-CG2 3.44Å; K46-I97 VanDerWaalsContact CD-CG2 3.44Å; L48-I97 HydrophobicContact CD1-CG2 3.83Å; L48-I97 HydrophobicContact CD2-CD1 4.41Å; L48-I97 HydrophobicContact CD2-CG2 4.4Å; L48-I97 HydrophobicContact CG-CG2 4.45Å; P94-I97 HydrophobicContact CG-CB 4.38Å; P94-I97 HydrophobicContact CG-CD1 3.58Å; P94-I97 HydrophobicContact CG-CG1 3.84Å; P94-I97 PolarHBondContact O-N 2.98Å; I97-Q100 PolarHBondContact O-N 3.44Å; I97-I101 HydrophobicContact CG2-CD1 4.17Å; I97-I101 WeakPolarHBondContact O-CG1 3.42Å; I97-I101 PolarHBondContact O-N 3.27Å
98V86.2Confident84.5Confident3 Ų354 Ų542%0.01829%0.287CS..Hα-helixtrans-64.9-45.2178.5178.50000111.3I20 I22 L91 S93 S95 E96 Q100 I101 T102 V114I20-V98 HydrophobicContact CD1-CB 4.19Å; I20-V98 HydrophobicContact CD1-CG2 3.53Å; I20-V98 HydrophobicContact CG2-CG1 4.25Å; I20-V98 HydrophobicContact CG2-CG2 4.5Å; I22-V98 HydrophobicContact CD1-CG1 4.07Å; L91-V98 HydrophobicContact CD1-CG2 4.15Å; S93-V98 WeakPolarHBondContact OG-CG2 3.45Å; S95-V98 PolarHBondContact O-N 2.67Å; E96-V98 VanDerWaalsContact C-N 3.29Å; E96-V98 PolarHBondContact O-N 3.4Å; V98-Q100 PolarHBondContact O-N 3.32Å; V98-I101 PolarHBondContact O-N 2.83Å; V98-T102 HydrophobicContact CG1-CG2 4.13Å; V98-T102 PolarHBondContact O-N 2.88Å; V98-T102 PolarHBondContact O-OG1 2.9Å; V98-T102 VanDerWaalsContact O-OG1 3.09Å; V98-V114 HydrophobicContact CG1-CG1 4.29Å
99K85.5Confident84.1Confident125 Ų12555.9 Ų55.954%0.54331%0.311SS..Hα-helixtrans-54.8-42.6177.9-70.9174.6-174.81720111.9S95 E96 T102 S103S95-K99 WeakPolarHBondContact O-CG 3.45Å; S95-K99 PolarHBondContact O-N 3.18Å; E96-K99 PolarHBondContact O-N 3.08Å; E96-K99 IonicContact OE2-NZ 3.4Å; K99-T102 WeakPolarHBondContact CA-OG1 3.35Å; K99-T102 PolarHBondContact O-N 2.82Å; K99-T102 PolarHBondContact O-OG1 3.21Å; K99-S103 PolarHBondContact O-N 3.01Å; K99-S103 PolarHBondContact O-OG 2.9Å
100Q85.4Confident84Confident90 Ų9056.3 Ų56.342%0.42131%0.314SS..Hα-helixtrans-66.1-35.5177.9-65.5174.41.600113.6K46 E96 I97 V98 S103 I104K46-Q100 VanDerWaalsContact NZ-CB 3.32Å; E96-Q100 PolarHBondContact O-N 2.86Å; I97-Q100 PolarHBondContact O-N 3.44Å; V98-Q100 PolarHBondContact O-N 3.32Å; Q100-S103 PolarHBondContact O-OG 3.01Å; Q100-I104 WeakPolarHBondContact O-CD1 3.45Å
101I85.5Confident84Confident10 Ų1061.7 Ų61.75%0.05134%0.338CS..Hα-helixtrans-73.1-41.9178.6-64.2166.8000109.5L39 A43 K46 L48 I97 V98 S103 I104L39-I101 HydrophobicContact CD2-CG2 3.67Å; A43-I101 HydrophobicContact CB-CD1 4.3Å; K46-I101 HydrophobicContact CD-CD1 4.11Å; K46-I101 HydrophobicContact CD-CG1 4.05Å; L48-I101 HydrophobicContact CD1-CD1 3.74Å; I97-I101 HydrophobicContact CG2-CD1 4.17Å; I97-I101 WeakPolarHBondContact O-CG1 3.42Å; I97-I101 PolarHBondContact O-N 3.27Å; V98-I101 PolarHBondContact O-N 2.83Å; I101-S103 VanDerWaalsContact C-N 3.32Å; I101-S103 PolarHBondContact O-N 2.89Å; I101-I104 PolarHBondContact O-N 3.47Å
102T84.8Confident84Confident26 Ų2664 Ų6416%0.1635%0.353CS..Hα-helixtrans-68.6-28-176.950.20000113.9I22 V98 K99 I104 I106 V114I22-T102 HydrophobicContact CD1-CG2 4.2Å; V98-T102 HydrophobicContact CG1-CG2 4.13Å; V98-T102 PolarHBondContact O-N 2.88Å; V98-T102 PolarHBondContact O-OG1 2.9Å; V98-T102 VanDerWaalsContact O-OG1 3.09Å; K99-T102 WeakPolarHBondContact CA-OG1 3.35Å; K99-T102 PolarHBondContact O-N 2.82Å; K99-T102 PolarHBondContact O-OG1 3.21Å; T102-I104 VanDerWaalsContact C-N 3.33Å; T102-I104 PolarHBondContact O-N 3.16Å; T102-I106 WeakPolarHBondContact O-CG1 2.75Å; T102-V114 HydrophobicContact CG2-CG2 4.14Å
103S79.2Confident84.1Confident75 Ų7565.6 Ų65.652%0.52436%0.36SS..Hα-helixtrans-71.4-27.1-179.557.50000113.5K99 Q100 I101K99-S103 PolarHBondContact O-N 3.01Å; K99-S103 PolarHBondContact O-OG 2.9Å; Q100-S103 PolarHBondContact O-OG 3.01Å; I101-S103 VanDerWaalsContact C-N 3.32Å; I101-S103 PolarHBondContact O-N 2.89Å
104I74.4Confident84.4Confident143 Ų14368.5 Ų68.573%0.73338%0.378SS*.Hα-helixtrans-78.6-27.7-175.1-63.1167.2000111.7Q100 I101 T102Q100-I104 WeakPolarHBondContact O-CD1 3.45Å; I101-I104 PolarHBondContact O-N 3.47Å; T102-I104 VanDerWaalsContact C-N 3.33Å; T102-I104 PolarHBondContact O-N 3.16Å
105S70.7Confident84.7Confident16 Ų1670.7 Ų70.711%0.11239%0.391CS..THydrogen-bonded Turntrans-109.226-166.169.80000115L39 E107L39-S105 VanDerWaalsContact CD2-OG 3.22Å; L39-S105 WeakPolarHBondContact CD2-OG 3.44Å; S105-E107 PolarHBondContact O-N 2.84Å
106I74.8Confident84.9Confident125 Ų12572.4 Ų72.464%0.64140%0.396SS*.  trans-78.487.9-179.1-54.4173.6000109.3T102T102-I106 WeakPolarHBondContact O-CG1 2.75Å
107E80.2Confident84.6Confident63 Ų6370 Ų7029%0.29440%0.395SS..  trans-80.4136.7170.1-17477.7-14200109.8K34 V35 S105 G109 V110K34-E107 IonicContact NZ-OE2 2.97Å; K34-E107 PolarHBondContact NZ-OE2 3.33Å; V35-E107 HydrophobicContact CG2-CB 3.46Å; V35-E107 VanDerWaalsContact CG2-CB 3.46Å; V35-E107 HydrophobicContact CG2-CG 4.39Å; S105-E107 PolarHBondContact O-N 2.84Å; E107-G109 PolarHBondContact O-N 3.08Å; E107-V110 PolarHBondContact O-N 2.88Å
108P85.7Confident83.7Confident107 Ų10773.5 Ų73.570%0.69541%0.414SS*.THydrogen-bonded Turntrans-58131.1177.623.8-34.5000111.7
109G85.4Confident82Confident60 Ų6081.7 Ų81.762%0.61948%0.482SS*.THydrogen-bonded Turntrans86.37177.700000115.5S26 E107S26-G109 WeakPolarHBondContact CB-O 3.42Å; S26-G109 PolarHBondContact OG-O 3.03Å; E107-G109 PolarHBondContact O-N 3.08Å
110V90.8Very high81.8Confident12 Ų1279.6 Ų79.67%0.07348%0.479CS..EExtended strand (participates in β ladder)trans-108.4119164.5-175.80000108.3L24 L32 V35 E107 V112L24-V110 HydrophobicContact CB-CG1 4.42Å; L32-V110 HydrophobicContact CD1-CG1 3.91Å; V35-V110 HydrophobicContact CB-CG1 4.48Å; V35-V110 HydrophobicContact CG1-CG1 4.37Å; V35-V110 HydrophobicContact CG2-CB 4.33Å; V35-V110 HydrophobicContact CG2-CG1 4.47Å; V35-V110 HydrophobicContact CG2-CG2 4.02Å; E107-V110 PolarHBondContact O-N 2.88Å; V110-V112 HydrophobicContact CG1-CG2 4.39Å
111E91.4Very high81.6Confident139 Ų13979 Ų7965%0.6548%0.482SS*.EExtended strand (participates in β ladder)trans-85.9132.5172.5-72.1167.5-174.700108.9L24 T25L24-E111 WeakPolarHBondContact CA-O 3.48Å; T25-E111 PolarHBondContact N-O 2.89Å; T25-E111 PolarHBondContact O-N 2.97Å; T25-E111 VanDerWaalsContact OG1-CB 3.28Å; T25-E111 WeakPolarHBondContact OG1-CB 3.27Å; T25-E111 PolarHBondContact OG1-OE2 3.21Å
112V91Very high81.4Confident55 Ų5582.8 Ų82.833%0.33351%0.506SS..EExtended strand (participates in β ladder)trans-120.6118.6-179.5-174.20000108.3I22 T23 L24 V110 V114I22-V112 HydrophobicContact CG2-CG1 3.84Å; T23-V112 WeakPolarHBondContact O-CA 3.38Å; L24-V112 HydrophobicContact CD2-CB 4.15Å; L24-V112 HydrophobicContact CD2-CG1 3.83Å; L24-V112 HydrophobicContact CD2-CG2 3.62Å; V110-V112 HydrophobicContact CG1-CG2 4.39Å; V112-V114 HydrophobicContact CG1-CG2 4.45Å
113E90.4Very high81.2Confident108 Ų10886.2 Ų86.251%0.50553%0.526SS..EExtended strand (participates in β ladder)trans-114.1129175.6174.9-175.1-160.300108.5T23T23-E113 HydrophobicContact CG2-CB 4.5Å; T23-E113 PolarHBondContact N-O 3.17Å; T23-E113 PolarHBondContact O-N 2.95Å
114V90.2Very high81.3Confident64 Ų6486.9 Ų86.939%0.38853%0.526SS..EExtended strand (participates in β ladder)trans-112.1116.8179.2-176.30000108.2I20 I22 V98 T102 V112I20-V114 HydrophobicContact CG2-CG1 3.53Å; I22-V114 HydrophobicContact CG1-CG2 4.48Å; V98-V114 HydrophobicContact CG1-CG1 4.29Å; T102-V114 HydrophobicContact CG2-CG2 4.14Å; V112-V114 HydrophobicContact CG1-CG2 4.45Å
115T90.6Very high81.8Confident67 Ų6783.1 Ų83.141%0.41151%0.512SS..EExtended strand (participates in β ladder)trans-108.8123.6175.8-46.10000109.1R21R21-T115 PolarHBondContact N-O 3.5Å; R21-T115 PolarHBondContact O-N 3.33Å
116I88.9Confident82.6Confident77 Ų7787.9 Ų87.940%0.39554%0.541SS..EExtended strand (participates in β ladder)trans-94.8119.4172.4-55.7175.7000106.4H18 I20 D118H18-I116 HydrophobicContact CB-CG2 3.76Å; I20-I116 HydrophobicContact CG1-CG1 4.28Å; I116-D118 PolarHBondContact O-N 2.88Å
117A79.9Confident83.2Confident57 Ų5785.1 Ų85.147%0.47153%0.533SS..EExtended strand (participates in β ladder)trans-87.1105.3168.200000107.4R19R19-A117 HydrophobicContact CB-CB 4.38Å; R19-A117 PolarHBondContact O-N 3.03Å
118D67.7Low83.4Confident121 Ų12186.9 Ų86.965%0.64755%0.553SS**  trans-71.9135.9162.2-74.6-27000108.4H18 I116H18-D118 IonicContact CE1-OD1 3.08Å; H18-D118 PolarHBondContact CE1-OD1 2.97Å; H18-D118 IonicContact ND1-OD1 3.47Å; H18-D118 PolarHBondContact ND1-OD1 3.47Å; H18-D118 VanDerWaalsContact ND1-OD1 3.08Å; I116-D118 PolarHBondContact O-N 2.88Å
119A49.4Very low83.2Confident176 Ų17685.1 Ų85.1100%1.45554%0.54SS*.  trans-77.10170.500000110.1

Retrieved 119 of 119 residues in 125.9 ms (Link to these results)