A0A3Q0KV51_SCHMA Loading...

Iso_dh domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KV51, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 59 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
1M42.7Very low52.2Low222 Ų222120.6 Ų120.6100%1.09468%0.682SS**  094.60-173.3166.675.100106.7I3M1-I3 PolarHBondContact O-N 3.37Å; M1-I3 VanDerWaalsContact O-N 3.15Å
2I44.8Very low53.2Low151 Ų151119.4 Ų119.477%0.77467%0.666SS**  trans-80.898.2-167.7-55.5168.3000106.4A4I2-A4 PolarHBondContact O-N 3.08Å
3I46.8Very low54Low98 Ų98117.2 Ų117.250%0.50366%0.657SS.*  trans-72.5121168.752.6172000106.6M1 G5 E6M1-I3 PolarHBondContact O-N 3.37Å; M1-I3 VanDerWaalsContact O-N 3.15Å; I3-G5 PolarHBondContact O-N 2.95Å; I3-E6 HydrophobicContact CD1-CG 3.62Å; I3-E6 HydrophobicContact CG1-CG 3.82Å; I3-E6 PolarHBondContact O-N 3.47Å
4A54.6Low55Low93 Ų93115.4 Ų115.477%0.76964%0.643SS**THydrogen-bonded Turntrans-64.615.3-172.700000115.4I2I2-A4 PolarHBondContact O-N 3.08Å
5G53.5Low56.4Low63 Ų63113.7 Ų113.765%0.64964%0.637SS**THydrogen-bonded Turntrans-113-11-176.400000115.5I3I3-G5 PolarHBondContact O-N 2.95Å
6E49.5Very low57.9Low116 Ų116116.5 Ų116.554%0.54265%0.65SS.*  trans-99.322.8-173.6-61.4-92.5110.100113.1I3 S8 K23I3-E6 HydrophobicContact CD1-CG 3.62Å; I3-E6 HydrophobicContact CG1-CG 3.82Å; I3-E6 PolarHBondContact O-N 3.47Å; E6-S8 PolarHBondContact O-N 3.38Å; E6-K23 IonicContact OE2-NZ 3.51Å; E6-K23 PolarHBondContact OE2-NZ 3.29Å
7Y52.2Low59.3Low164 Ų164114.1 Ų114.164%0.64366%0.658SS**THydrogen-bonded Turntrans-67.220.8172.3-82.8-77.2000113.7E11Y7-E11 WeakPolarHBondContact CD1-OE1 3.35Å
8S54.7Low60.6Low119 Ų119112.2 Ų112.283%0.83265%0.648SS**THydrogen-bonded Turntrans-105.89.5176.1-168.20000112.9E6E6-S8 PolarHBondContact O-N 3.38Å
9G57.8Low61.7Low38 Ų38111.3 Ų111.339%0.39265%0.645SS.*SBendtrans-109.994.5179.900000111.7E11G9-E11 PolarHBondContact O-N 3.32Å
10I58.4Low62.5Low158 Ų158110.1 Ų110.181%0.8163%0.632SS**  trans27.570159.4-31.8172.6000113.5H12I10-H12 HydrophobicContact CG2-CB 4.44Å; I10-H12 PolarHBondContact O-N 3.35Å
11E59.5Low63.4Low105 Ų105109.7 Ų109.749%0.49164%0.637SS.*  trans-67.382.1171.7-62.1-84.8156.400107.4Y7 G9 V13Y7-E11 WeakPolarHBondContact CD1-OE1 3.35Å; G9-E11 PolarHBondContact O-N 3.32Å; E11-V13 PolarHBondContact O-N 3.5Å
12H63.5Low65.3Low106 Ų106105.8 Ų105.849%0.49162%0.618SS.*EExtended strand (participates in β ladder)trans-91102.1176.9-174.5-140.5000107.8I10 I14I10-H12 HydrophobicContact CG2-CB 4.44Å; I10-H12 PolarHBondContact O-N 3.35Å; H12-I14 PolarHBondContact O-N 3.29Å
13V64.4Low67.2Low90 Ų90103.7 Ų103.755%0.54560%0.604SS.*EExtended strand (participates in β ladder)trans-74.9105.6168.8-176.10000107.2E11 V15E11-V13 PolarHBondContact O-N 3.5Å; V13-V15 WeakPolarHBondContact CG1-O 3.39Å
14I67Low69.2Low92 Ų92107.3 Ų107.347%0.47262%0.623SS.*EExtended strand (participates in β ladder)trans-80.2-38.1-178.7-54.7172.5000110H12 Q20H12-I14 PolarHBondContact O-N 3.29Å; I14-Q20 HydrophobicContact CD1-CB 4Å
15V77.2Confident70.7Confident90 Ų90106.7 Ų106.755%0.54561%0.606SS.*EExtended strand (participates in β ladder)trans-147.8150.9179.8-175.80000107.9V13 G17 V18V13-V15 WeakPolarHBondContact CG1-O 3.39Å; V15-G17 PolarHBondContact O-N 2.81Å; V15-V18 HydrophobicContact CB-CB 4.39Å; V15-V18 HydrophobicContact CB-CG2 4.38Å; V15-V18 PolarHBondContact O-N 3.28Å
16D79.3Confident72.5Confident159 Ų159106.9 Ų106.985%0.8560%0.596SS**THydrogen-bonded Turntrans-54.1126.9173.9-17134.8000111V18D16-V18 PolarHBondContact O-N 3.32Å
17G82.9Confident74.4Confident76 Ų76105.4 Ų105.478%0.78459%0.589SS**THydrogen-bonded Turntrans81.7-4.4-174.500000116.7V15V15-G17 PolarHBondContact O-N 2.81Å
18V82.7Confident76.3Confident79 Ų79103.3 Ų103.348%0.47959%0.585SS.*EExtended strand (participates in β ladder)trans-113.7110.2176.8-176.80000110.5V15 D16V15-V18 HydrophobicContact CB-CB 4.39Å; V15-V18 HydrophobicContact CB-CG2 4.38Å; V15-V18 PolarHBondContact O-N 3.28Å; D16-V18 PolarHBondContact O-N 3.32Å
19V80.5Confident78.1Confident96 Ų96101.7 Ų101.758%0.58257%0.566SS**EExtended strand (participates in β ladder)trans-103.8127.5173.8-174.90000109.2
20Q78.9Confident79.5Confident86 Ų86104.9 Ų104.940%0.40257%0.569SS.*EExtended strand (participates in β ladder)trans-96.9139.2172.4-171.4179.33600110.1I14 I22I14-Q20 HydrophobicContact CD1-CB 4Å; Q20-I22 HydrophobicContact CG-CG1 4.35Å
21S80.1Confident81.1Confident103 Ų103104.7 Ų104.772%0.7256%0.559SS**  trans-132.6132.3168.1-178.50000109.2
22I83.4Confident82.6Confident139 Ų139102.4 Ų102.471%0.71355%0.553SS**  trans-117.9129.3175.9-59.5173.4000106.9Q20Q20-I22 HydrophobicContact CG-CG1 4.35Å
23K83.7Confident83.9Confident108 Ų108101.7 Ų101.747%0.4756%0.556SS.*  trans-125.8129.3177-172.9-179.8-77.5-88.40110E6 I25E6-K23 IonicContact OE2-NZ 3.51Å; E6-K23 PolarHBondContact OE2-NZ 3.29Å; K23-I25 HydrophobicContact CB-CD1 4.32Å; K23-I25 HydrophobicContact CB-CG1 4.09Å; K23-I25 HydrophobicContact CD-CD1 3.85Å; K23-I25 HydrophobicContact CD-CG1 3.64Å; K23-I25 HydrophobicContact CG-CD1 4.16Å; K23-I25 HydrophobicContact CG-CG1 3.6Å
24L88.6Confident85Confident174 Ų17499.3 Ų99.391%0.91155%0.546SS*.  trans-76.9119.5164.5-176.764.1000108.5
25I86.5Confident86.1Confident79 Ų79102.4 Ų102.441%0.40555%0.552SS.*  trans-128.1136-178.3-53.9175.3000107.8K23 I29K23-I25 HydrophobicContact CB-CD1 4.32Å; K23-I25 HydrophobicContact CB-CG1 4.09Å; K23-I25 HydrophobicContact CD-CD1 3.85Å; K23-I25 HydrophobicContact CD-CG1 3.64Å; K23-I25 HydrophobicContact CG-CD1 4.16Å; K23-I25 HydrophobicContact CG-CG1 3.6Å; I25-I29 HydrophobicContact CG2-CB 3.79Å; I25-I29 HydrophobicContact CG2-CG2 3.75Å
26P91.9Very high86.7Confident67 Ų67105.1 Ų105.144%0.43556%0.557SS.*  trans-59.5145.5172.3-22.733.3000112.3E28 I29 K30P26-E28 VanDerWaalsContact C-N 3.29Å; P26-E28 HydrophobicContact CB-CG 4.49Å; P26-E28 WeakPolarHBondContact CB-OE1 3.47Å; P26-E28 PolarHBondContact O-N 3.1Å; P26-I29 HydrophobicContact CB-CG1 4.22Å; P26-I29 HydrophobicContact CG-CG1 4.34Å; P26-I29 PolarHBondContact O-N 3.35Å; P26-I29 VanDerWaalsContact O-N 3.08Å; P26-K30 PolarHBondContact O-N 3.41Å
27E89.6Confident87.2Confident86 Ų8699.9 Ų99.940%0.40254%0.535SS..Hα-helixtrans-61.9-35.5-176.3176.559.8-16200112.1I29 K30 R31E27-I29 VanDerWaalsContact C-N 3.31Å; E27-I29 PolarHBondContact O-N 2.99Å; E27-K30 PolarHBondContact O-N 2.89Å; E27-K30 WeakPolarHBondContact OE2-CD 3.17Å; E27-R31 VanDerWaalsContact CG-NH2 3.29Å; E27-R31 WeakPolarHBondContact O-CG 3.48Å; E27-R31 PolarHBondContact O-N 3.11Å; E27-R31 IonicContact OE1-CZ 3.26Å; E27-R31 IonicContact OE1-NE 2.68Å; E27-R31 PolarHBondContact OE1-NE 3.07Å; E27-R31 IonicContact OE1-NH2 2.94Å; E27-R31 PolarHBondContact OE1-NH2 2.81Å
28E92Very high87.4Confident119 Ų119100.7 Ų100.756%0.55652%0.517SS*.Hα-helixtrans-63.3-36.6175.366.4-82.1-179.500113P26 C32P26-E28 VanDerWaalsContact C-N 3.29Å; P26-E28 HydrophobicContact CB-CG 4.49Å; P26-E28 WeakPolarHBondContact CB-OE1 3.47Å; P26-E28 PolarHBondContact O-N 3.1Å; E28-C32 PolarHBondContact O-N 2.96Å; E28-C32 PolarHBondContact O-SG 2.9Å
29I92.1Very high87.7Confident86 Ų86101.3 Ų101.344%0.44152%0.515SS..Hα-helixtrans-72.9-42.4177.3-57.3-57.4000109.8I25 P26 E27 R31 C32 V33I25-I29 HydrophobicContact CG2-CB 3.79Å; I25-I29 HydrophobicContact CG2-CG2 3.75Å; P26-I29 HydrophobicContact CB-CG1 4.22Å; P26-I29 HydrophobicContact CG-CG1 4.34Å; P26-I29 PolarHBondContact O-N 3.35Å; P26-I29 VanDerWaalsContact O-N 3.08Å; E27-I29 VanDerWaalsContact C-N 3.31Å; E27-I29 PolarHBondContact O-N 2.99Å; I29-R31 VanDerWaalsContact C-N 3.28Å; I29-R31 PolarHBondContact O-N 3.35Å; I29-C32 WeakPolarHBondContact O-CB 3.44Å; I29-C32 PolarHBondContact O-N 2.96Å; I29-C32 VanDerWaalsContact O-N 3.07Å; I29-V33 HydrophobicContact CG2-CG2 4.45Å; I29-V33 WeakPolarHBondContact O-CG2 3.31Å; I29-V33 PolarHBondContact O-N 2.93Å
30K88.2Confident88.2Confident104 Ų104103.1 Ų103.145%0.45251%0.512SS..Hα-helixtrans-55.5-43.2175.3-174-178.2176.4-176.30111.6P26 E27 V33 A34P26-K30 PolarHBondContact O-N 3.41Å; E27-K30 PolarHBondContact O-N 2.89Å; E27-K30 WeakPolarHBondContact OE2-CD 3.17Å; K30-V33 PolarHBondContact O-N 3.14Å; K30-A34 WeakPolarHBondContact O-CB 3.28Å; K30-A34 PolarHBondContact O-N 2.92Å
31R90.5Very high88.7Confident155 Ų15599.1 Ų99.159%0.58549%0.494SS*.Hα-helixtrans-63.9-39.6175.8-70.3173-167.4163.91.9112.9E27 I29 R35E27-R31 VanDerWaalsContact CG-NH2 3.29Å; E27-R31 WeakPolarHBondContact O-CG 3.48Å; E27-R31 PolarHBondContact O-N 3.11Å; E27-R31 IonicContact OE1-CZ 3.26Å; E27-R31 IonicContact OE1-NE 2.68Å; E27-R31 PolarHBondContact OE1-NE 3.07Å; E27-R31 IonicContact OE1-NH2 2.94Å; E27-R31 PolarHBondContact OE1-NH2 2.81Å; I29-R31 VanDerWaalsContact C-N 3.28Å; I29-R31 PolarHBondContact O-N 3.35Å; R31-R35 WeakPolarHBondContact O-CB 3.32Å; R31-R35 PolarHBondContact O-N 3.03Å
32C91.9Very high89Confident56 Ų56101.7 Ų101.738%0.37849%0.492SS..Hα-helixtrans-63.8-44.8175.6-74.20000112E28 I29 R35 F36E28-C32 PolarHBondContact O-N 2.96Å; E28-C32 PolarHBondContact O-SG 2.9Å; I29-C32 WeakPolarHBondContact O-CB 3.44Å; I29-C32 PolarHBondContact O-N 2.96Å; I29-C32 VanDerWaalsContact O-N 3.07Å; C32-R35 PolarHBondContact O-N 3.45Å; C32-R35 PolarHBondContact SG-NH2 2.94Å; C32-R35 VanDerWaalsContact SG-NH2 3.45Å; C32-F36 PolarHBondContact O-N 3.45Å
33V89.6Confident89.3Confident92 Ų92100.3 Ų100.356%0.55849%0.487SS*.Hα-helixtrans-63.3-45.8176.5175.70000110.9I29 K30 R35 F36 A37I29-V33 HydrophobicContact CG2-CG2 4.45Å; I29-V33 WeakPolarHBondContact O-CG2 3.31Å; I29-V33 PolarHBondContact O-N 2.93Å; K30-V33 PolarHBondContact O-N 3.14Å; V33-R35 PolarHBondContact O-N 3.32Å; V33-F36 PolarHBondContact O-N 3.49Å; V33-A37 WeakPolarHBondContact O-CB 3.45Å; V33-A37 PolarHBondContact O-N 3.15Å
34A88.9Confident89.5Confident40 Ų40100 Ų10033%0.33149%0.49SS..Hα-helixtrans-58.5-50.5177.200000111.1K30 F36 A37 F38K30-A34 WeakPolarHBondContact O-CB 3.28Å; K30-A34 PolarHBondContact O-N 2.92Å; A34-F36 VanDerWaalsContact C-N 3.31Å; A34-F36 PolarHBondContact O-N 3.33Å; A34-A37 PolarHBondContact O-N 2.89Å; A34-A37 VanDerWaalsContact O-N 3.14Å; A34-F38 HydrophobicContact CB-CD2 4.49Å; A34-F38 HydrophobicContact CB-CE2 4.49Å; A34-F38 WeakPolarHBondContact O-CD2 3.13Å; A34-F38 PolarHBondContact O-N 3.36Å
35R89.9Confident89.3Confident156 Ų15694.4 Ų94.459%0.58948%0.475SS*.Hα-helixtrans-56.6-44.8178.5-176.6178.965-101.6-0.3112R31 C32 V33 Q39R31-R35 WeakPolarHBondContact O-CB 3.32Å; R31-R35 PolarHBondContact O-N 3.03Å; C32-R35 PolarHBondContact O-N 3.45Å; C32-R35 PolarHBondContact SG-NH2 2.94Å; C32-R35 VanDerWaalsContact SG-NH2 3.45Å; V33-R35 PolarHBondContact O-N 3.32Å; R35-Q39 WeakPolarHBondContact O-CB 3.36Å; R35-Q39 PolarHBondContact O-N 2.95Å
36F90.3Very high89Confident148 Ų14896.4 Ų96.465%0.64948%0.482SS*.Hα-helixtrans-63.1-44.6177.4-178.4-97.9000111.8C32 V33 A34 Q39 Y40C32-F36 PolarHBondContact O-N 3.45Å; V33-F36 PolarHBondContact O-N 3.49Å; A34-F36 VanDerWaalsContact C-N 3.31Å; A34-F36 PolarHBondContact O-N 3.33Å; F36-Q39 PolarHBondContact O-N 3.07Å; F36-Y40 VanDerWaalsContact O-CB 3.28Å; F36-Y40 WeakPolarHBondContact O-CB 3.25Å; F36-Y40 PolarHBondContact O-N 3.32Å
37A88.6Confident88.2Confident48 Ų48105.3 Ų105.340%0.39751%0.507SS..Hα-helixtrans-62.2-44.2178.400000112.5V33 A34 A41V33-A37 WeakPolarHBondContact O-CB 3.45Å; V33-A37 PolarHBondContact O-N 3.15Å; A34-A37 PolarHBondContact O-N 2.89Å; A34-A37 VanDerWaalsContact O-N 3.14Å; A37-A41 VanDerWaalsContact O-CB 3.31Å; A37-A41 WeakPolarHBondContact O-CB 3.44Å; A37-A41 PolarHBondContact O-N 3.44Å
38F88.2Confident87.5Confident94 Ų94105.1 Ų105.141%0.41252%0.515SS..Hα-helixtrans-65.3-42.2176.1-80.5-73.2000112.5A34 A41 K42 V49 A51A34-F38 HydrophobicContact CB-CD2 4.49Å; A34-F38 HydrophobicContact CB-CE2 4.49Å; A34-F38 WeakPolarHBondContact O-CD2 3.13Å; A34-F38 PolarHBondContact O-N 3.36Å; F38-A41 PolarHBondContact O-N 3.49Å; F38-K42 WeakPolarHBondContact O-CB 3.45Å; F38-K42 PolarHBondContact O-N 3.23Å; F38-V49 HydrophobicContact CD1-CB 3.63Å; F38-V49 HydrophobicContact CD1-CG1 3.79Å; F38-V49 HydrophobicContact CD1-CG2 4.12Å; F38-V49 HydrophobicContact CE1-CB 3.49Å; F38-V49 VanDerWaalsContact CE1-CB 3.49Å; F38-V49 HydrophobicContact CE1-CG1 3.54Å; F38-V49 HydrophobicContact CE1-CG2 4.46Å; F38-V49 HydrophobicContact CG-CG1 4.49Å; F38-V49 HydrophobicContact CZ-CB 4.43Å; F38-V49 HydrophobicContact CZ-CG1 4.03Å; F38-A51 HydrophobicContact CE2-CB 4.2Å; F38-A51 HydrophobicContact CZ-CB 3.79Å
39Q89.4Confident86.9Confident92 Ų92101.9 Ų101.943%0.4350%0.504SS..Hα-helixtrans-63.7-48.2178-175.558.156.400110.8R35 F36 A41 K42 D43R35-Q39 WeakPolarHBondContact O-CB 3.36Å; R35-Q39 PolarHBondContact O-N 2.95Å; F36-Q39 PolarHBondContact O-N 3.07Å; Q39-A41 VanDerWaalsContact C-N 3.3Å; Q39-A41 PolarHBondContact O-N 2.77Å; Q39-K42 WeakPolarHBondContact O-CB 3.35Å; Q39-K42 PolarHBondContact O-N 3.23Å; Q39-K42 VanDerWaalsContact O-N 3.11Å; Q39-D43 VanDerWaalsContact NE2-CG 3.25Å; Q39-D43 PolarHBondContact NE2-OD1 2.95Å; Q39-D43 PolarHBondContact NE2-OD2 3.33Å; Q39-D43 VanDerWaalsContact O-CG 3.24Å; Q39-D43 PolarHBondContact O-N 3.19Å
40Y90.4Very high86.3Confident133 Ų133105 Ų10552%0.52252%0.52SS..Hα-helixtrans-56.5-44.1176179.7-98.3000112.2F36 K42 D43 N44F36-Y40 VanDerWaalsContact O-CB 3.28Å; F36-Y40 WeakPolarHBondContact O-CB 3.25Å; F36-Y40 PolarHBondContact O-N 3.32Å; Y40-K42 PolarHBondContact O-N 3.01Å; Y40-D43 PolarHBondContact O-N 3.44Å; Y40-N44 WeakPolarHBondContact CE1-ND2 3.15Å; Y40-N44 WeakPolarHBondContact O-CB 3.14Å; Y40-N44 PolarHBondContact O-N 2.99Å; Y40-N44 PolarHBondContact O-OD1 3.26Å; Y40-N44 PolarHBondContact OH-ND2 3.31Å; Y40-N44 VanDerWaalsContact OH-ND2 3.08Å
41A88.8Confident86Confident3 Ų3103.1 Ų103.13%0.02552%0.523CS..Hα-helixtrans-63-41.8176.500000112.6A37 F38 Q39 N44 G45 Q46 V49A37-A41 VanDerWaalsContact O-CB 3.31Å; A37-A41 WeakPolarHBondContact O-CB 3.44Å; A37-A41 PolarHBondContact O-N 3.44Å; F38-A41 PolarHBondContact O-N 3.49Å; Q39-A41 VanDerWaalsContact C-N 3.3Å; Q39-A41 PolarHBondContact O-N 2.77Å; A41-N44 PolarHBondContact O-N 3.41Å; A41-G45 PolarHBondContact O-N 2.94Å; A41-Q46 HydrophobicContact CB-CB 3.96Å; A41-Q46 VanDerWaalsContact CB-OE1 3.22Å; A41-Q46 WeakPolarHBondContact O-CA 3.5Å; A41-Q46 WeakPolarHBondContact O-CB 3.38Å; A41-Q46 PolarHBondContact O-N 2.94Å; A41-V49 HydrophobicContact CB-CG2 3.08Å
42K86.2Confident85.5Confident157 Ų157100.1 Ų100.168%0.68353%0.532SS*.Hα-helixtrans-62.1-44.3175.6-174.9-179.2177.9-177.30111.4F38 Q39 Y40 N44 G45F38-K42 WeakPolarHBondContact O-CB 3.45Å; F38-K42 PolarHBondContact O-N 3.23Å; Q39-K42 WeakPolarHBondContact O-CB 3.35Å; Q39-K42 PolarHBondContact O-N 3.23Å; Q39-K42 VanDerWaalsContact O-N 3.11Å; Y40-K42 PolarHBondContact O-N 3.01Å; K42-N44 VanDerWaalsContact C-N 3.3Å; K42-N44 PolarHBondContact O-N 3.08Å; K42-G45 PolarHBondContact O-N 3.26Å; K42-G45 VanDerWaalsContact O-N 3.1Å
43D89.8Confident84.8Confident110 Ų110100.9 Ų100.959%0.58854%0.536SS*.Hα-helixtrans-66.9-33.9-179.8-64.5-24.5000111.7Q39 Y40 G45Q39-D43 VanDerWaalsContact NE2-CG 3.25Å; Q39-D43 PolarHBondContact NE2-OD1 2.95Å; Q39-D43 PolarHBondContact NE2-OD2 3.33Å; Q39-D43 VanDerWaalsContact O-CG 3.24Å; Q39-D43 PolarHBondContact O-N 3.19Å; Y40-D43 PolarHBondContact O-N 3.44Å; D43-G45 PolarHBondContact O-N 2.71Å
44N89Confident84.1Confident100 Ų100104.8 Ų104.854%0.53555%0.548SS..THydrogen-bonded Turntrans-81.67.5174.6-72.723.9000113.7Y40 A41 K42 Q46Y40-N44 WeakPolarHBondContact CE1-ND2 3.15Å; Y40-N44 WeakPolarHBondContact O-CB 3.14Å; Y40-N44 PolarHBondContact O-N 2.99Å; Y40-N44 PolarHBondContact O-OD1 3.26Å; Y40-N44 PolarHBondContact OH-ND2 3.31Å; Y40-N44 VanDerWaalsContact OH-ND2 3.08Å; A41-N44 PolarHBondContact O-N 3.41Å; K42-N44 VanDerWaalsContact C-N 3.3Å; K42-N44 PolarHBondContact O-N 3.08Å; N44-Q46 PolarHBondContact O-N 2.86Å
45G84Confident83.2Confident58 Ų58109.2 Ų109.260%0.59857%0.566SS**THydrogen-bonded Turntrans69.319.817900000114.1A41 K42 D43 R47A41-G45 PolarHBondContact O-N 2.94Å; K42-G45 PolarHBondContact O-N 3.26Å; K42-G45 VanDerWaalsContact O-N 3.1Å; D43-G45 PolarHBondContact O-N 2.71Å; G45-R47 PolarHBondContact O-N 3.5Å
46Q80.3Confident81.9Confident121 Ų121105.1 Ų105.157%0.56556%0.562SS**  trans-71118.8176.8-154.617515.200109.3A41 N44 S48A41-Q46 HydrophobicContact CB-CB 3.96Å; A41-Q46 VanDerWaalsContact CB-OE1 3.22Å; A41-Q46 WeakPolarHBondContact O-CA 3.5Å; A41-Q46 WeakPolarHBondContact O-CB 3.38Å; A41-Q46 PolarHBondContact O-N 2.94Å; N44-Q46 PolarHBondContact O-N 2.86Å; Q46-S48 PolarHBondContact O-N 2.68Å
47R73.8Confident80.9Confident254 Ų254103 Ų10396%0.95856%0.561SS**SBendtrans-68-22.3-173.7-71.1179.2-80.3-161.7-4.6114.1G45G45-R47 PolarHBondContact O-N 3.5Å
48S76.3Confident79.8Confident82 Ų82109 Ų10957%0.57359%0.585SS**  trans-155140.4-177.9-177.40000110.3Q46Q46-S48 PolarHBondContact O-N 2.68Å
49V78.6Confident78.6Confident51 Ų51116.4 Ų116.431%0.30962%0.621SS.*  trans-123.9130.2168.1176.50000106.4F38 A41F38-V49 HydrophobicContact CD1-CB 3.63Å; F38-V49 HydrophobicContact CD1-CG1 3.79Å; F38-V49 HydrophobicContact CD1-CG2 4.12Å; F38-V49 HydrophobicContact CE1-CB 3.49Å; F38-V49 VanDerWaalsContact CE1-CB 3.49Å; F38-V49 HydrophobicContact CE1-CG1 3.54Å; F38-V49 HydrophobicContact CE1-CG2 4.46Å; F38-V49 HydrophobicContact CG-CG1 4.49Å; F38-V49 HydrophobicContact CZ-CB 4.43Å; F38-V49 HydrophobicContact CZ-CG1 4.03Å; A41-V49 HydrophobicContact CB-CG2 3.08Å
50I80.3Confident78Confident152 Ų152117.7 Ų117.778%0.77963%0.63SS**  trans-97.6116177.7-59.3170000107.2
51A80.5Confident77.4Confident64 Ų64116.8 Ų116.853%0.52964%0.636SS.*  trans-96.1124.716200000107.9F38 P53F38-A51 HydrophobicContact CE2-CB 4.2Å; F38-A51 HydrophobicContact CZ-CB 3.79Å; A51-P53 VanDerWaalsContact O-CD 3.25Å; A51-P53 WeakPolarHBondContact O-CD 3.49Å
52A81.3Confident76.7Confident92 Ų92123.2 Ų123.276%0.7667%0.67SS**  trans-91.8110.1173.900000109
53P77.1Confident76.2Confident71 Ų71121.2 Ų121.246%0.46167%0.669SS.*  trans-73.9145.9173.223-23.5000110.9A51 N55 S56A51-P53 VanDerWaalsContact O-CD 3.25Å; A51-P53 WeakPolarHBondContact O-CD 3.49Å; P53-N55 WeakPolarHBondContact CB-OD1 3.42Å; P53-N55 PolarHBondContact O-N 3.47Å; P53-S56 WeakPolarHBondContact CD-OG 3.49Å; P53-S56 WeakPolarHBondContact CG-OG 3.17Å; P53-S56 PolarHBondContact O-N 3.09Å; P53-S56 PolarHBondContact O-OG 3.05Å
54E74.4Confident75.3Confident175 Ų175121.9 Ų121.982%0.81867%0.674SS**THydrogen-bonded Turntrans-58.4-32.7-179.4-175.9-179.8158.400112.2S56E54-S56 PolarHBondContact O-N 3.47Å
55N70.2Confident74.4Confident133 Ų133123.3 Ų123.371%0.71168%0.684SS**THydrogen-bonded Turntrans-9321.7-178.569.5-15.5000114.2P53 T57P53-N55 WeakPolarHBondContact CB-OD1 3.42Å; P53-N55 PolarHBondContact O-N 3.47Å; N55-T57 PolarHBondContact O-N 2.75Å; N55-T57 VanDerWaalsContact O-N 3.09Å
56S63Low73.7Confident70 Ų70128 Ų12849%0.4969%0.69SS.*  trans-68-4.1177.9-53.70000113.8P53 E54 L58P53-S56 WeakPolarHBondContact CD-OG 3.49Å; P53-S56 WeakPolarHBondContact CG-OG 3.17Å; P53-S56 PolarHBondContact O-N 3.09Å; P53-S56 PolarHBondContact O-OG 3.05Å; E54-S56 PolarHBondContact O-N 3.47Å; S56-L58 PolarHBondContact O-N 3.24Å
57T67.8Low73.2Confident104 Ų104128.5 Ų128.564%0.63870%0.699SS**  trans-69.295.5174.1-10.90000108.7N55 H59N55-T57 PolarHBondContact O-N 2.75Å; N55-T57 VanDerWaalsContact O-N 3.09Å; T57-H59 PolarHBondContact O-N 3.03Å
58L67.3Low73.2Confident173 Ų173118.1 Ų118.191%0.90668%0.678SS**  trans-53.2109.8165.7-63.5166.6000107.7S56S56-L58 PolarHBondContact O-N 3.24Å
59H61.4Low72.9Confident250 Ų250121.4 Ų121.4100%1.15769%0.687SS**  trans-81.10165.2-75.3-77.5000109.9T57T57-H59 PolarHBondContact O-N 3.03Å

Retrieved 59 of 59 residues in 62.7 ms (Link to these results)