A0A5K4F7M0_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F7M0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 68 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
1M35.2Very low48.9Very low243 Ų243133.1 Ų133.1100%1.19767%0.669SS**  0120.20-77173.6169.500108S3M1-S3 PolarHBondContact O-N 3.14Å
2I38.2Very low49.5Very low150 Ų150130.1 Ų130.177%0.76966%0.656SS**  trans-71.2119.2173.6-66.6164.4000106.7F8I2-F8 HydrophobicContact CG2-CD1 4.28Å; I2-F8 HydrophobicContact CG2-CE1 4.47Å
3S39Very low50.1Low74 Ų74133.2 Ų133.252%0.51766%0.657SS.*  trans-69.5139.5-174.855.10000111.3M1 N5M1-S3 PolarHBondContact O-N 3.14Å; S3-N5 PolarHBondContact O-N 3.44Å
4N50.5Low50.5Low164 Ų164130.9 Ų130.988%0.87764%0.639SS**  trans-69.936.4174.6-84-46000112.7P6N4-P6 WeakPolarHBondContact O-CD 3.48Å
5N50.6Low50.8Low82 Ų82128.5 Ų128.544%0.43963%0.63SS.*  trans-81.5121.9178.2-161-39.2000108.6S3 L7 F8 R9S3-N5 PolarHBondContact O-N 3.44Å; N5-L7 PolarHBondContact O-N 3.41Å; N5-L7 WeakPolarHBondContact OD1-CB 3.45Å; N5-L7 PolarHBondContact OD1-N 3.35Å; N5-F8 WeakPolarHBondContact O-CB 3.47Å; N5-F8 PolarHBondContact O-N 3.49Å; N5-R9 PolarHBondContact O-N 3.01Å
6P54.6Low50.8Low100 Ų100127.6 Ų127.665%0.64962%0.624SS**Hα-helixtrans-54.9-25.4179.319.7-32.1000112.9N4 F8 R9 F10N4-P6 WeakPolarHBondContact O-CD 3.48Å; P6-F8 VanDerWaalsContact C-N 3.33Å; P6-F8 PolarHBondContact O-N 3.02Å; P6-R9 PolarHBondContact O-N 3.07Å; P6-F10 VanDerWaalsContact O-CB 3.27Å; P6-F10 WeakPolarHBondContact O-CB 3.12Å; P6-F10 PolarHBondContact O-N 3.31Å
7L53.5Low51Low113 Ų113124.4 Ų124.459%0.59261%0.61SS**Hα-helixtrans-61.2-37.4172.9-121.8146.1000113N5 F10 L11N5-L7 PolarHBondContact O-N 3.41Å; N5-L7 WeakPolarHBondContact OD1-CB 3.45Å; N5-L7 PolarHBondContact OD1-N 3.35Å; L7-F10 PolarHBondContact O-N 3.33Å; L7-L11 HydrophobicContact CD2-CD1 4.17Å; L7-L11 WeakPolarHBondContact O-CB 3.35Å; L7-L11 WeakPolarHBondContact O-CD1 3.04Å; L7-L11 WeakPolarHBondContact O-CG 3.32Å; L7-L11 PolarHBondContact O-N 2.76Å
8F53.8Low50.9Low116 Ų116126.2 Ų126.251%0.50961%0.61SS.*Hα-helixtrans-75.1-38.8179.6-141.4-85.1000111.4I2 N5 P6 F10 L11 N12I2-F8 HydrophobicContact CG2-CD1 4.28Å; I2-F8 HydrophobicContact CG2-CE1 4.47Å; N5-F8 WeakPolarHBondContact O-CB 3.47Å; N5-F8 PolarHBondContact O-N 3.49Å; P6-F8 VanDerWaalsContact C-N 3.33Å; P6-F8 PolarHBondContact O-N 3.02Å; F8-F10 VanDerWaalsContact C-N 3.34Å; F8-L11 PolarHBondContact O-N 2.75Å; F8-N12 WeakPolarHBondContact O-CB 3.32Å; F8-N12 PolarHBondContact O-N 3.29Å
9R49.9Very low50.7Low205 Ų205124.2 Ų124.277%0.77460%0.603SS**Hα-helixtrans-63.3-40.9170.9-98.3179.2131.3173.5-3.4111.8N5 P6 N12 Y13N5-R9 PolarHBondContact O-N 3.01Å; P6-R9 PolarHBondContact O-N 3.07Å; R9-N12 PolarHBondContact O-N 3.15Å; R9-Y13 WeakPolarHBondContact O-CB 3.32Å; R9-Y13 PolarHBondContact O-N 3.35Å
10F57.9Low50.6Low118 Ų118123.1 Ų123.152%0.51860%0.6SS.*Hα-helixtrans-63.1-51.1175.6-171.1-91.5000110.8P6 L7 F8 N12 Y13 Y14P6-F10 VanDerWaalsContact O-CB 3.27Å; P6-F10 WeakPolarHBondContact O-CB 3.12Å; P6-F10 PolarHBondContact O-N 3.31Å; L7-F10 PolarHBondContact O-N 3.33Å; F8-F10 VanDerWaalsContact C-N 3.34Å; F10-N12 VanDerWaalsContact C-N 3.26Å; F10-N12 PolarHBondContact O-N 3.2Å; F10-Y13 PolarHBondContact O-N 3.28Å; F10-Y14 AromaticContact CD1-CD2 3.68Å; F10-Y14 HydrophobicContact CD1-CD2 3.68Å; F10-Y14 AromaticContact CD1-CE2 3.75Å; F10-Y14 HydrophobicContact CD1-CE2 3.75Å; F10-Y14 HydrophobicContact CD2-CD2 4.2Å; F10-Y14 AromaticContact CD2-CE2 3.74Å; F10-Y14 HydrophobicContact CD2-CE2 3.74Å; F10-Y14 AromaticContact CE1-CD2 3.58Å; F10-Y14 HydrophobicContact CE1-CD2 3.58Å; F10-Y14 HydrophobicContact CE1-CE1 4.44Å; F10-Y14 AromaticContact CE1-CE2 3.25Å; F10-Y14 HydrophobicContact CE1-CE2 3.25Å; F10-Y14 HydrophobicContact CE1-CG 4.3Å; F10-Y14 AromaticContact CE1-CZ 3.7Å; F10-Y14 HydrophobicContact CE2-CD2 4.13Å; F10-Y14 AromaticContact CE2-CE2 3.26Å; F10-Y14 HydrophobicContact CE2-CE2 3.26Å; F10-Y14 AromaticContact CE2-CZ 3.92Å; F10-Y14 HydrophobicContact CG-CD2 4.02Å; F10-Y14 AromaticContact CG-CE2 3.98Å; F10-Y14 HydrophobicContact CG-CE2 3.98Å; F10-Y14 AromaticContact CZ-CD2 3.83Å; F10-Y14 HydrophobicContact CZ-CD2 3.83Å; F10-Y14 HydrophobicContact CZ-CE1 4.39Å; F10-Y14 AromaticContact CZ-CE2 3Å; F10-Y14 HydrophobicContact CZ-CE2 3Å; F10-Y14 AromaticContact CZ-CZ 3.32Å; F10-Y14 VanDerWaalsContact CZ-OH 3.29Å; F10-Y14 WeakPolarHBondContact CZ-OH 3.41Å; F10-Y14 WeakPolarHBondContact O-CD2 3.18Å; F10-Y14 PolarHBondContact O-N 3.42Å
11L55.1Low50.6Low99 Ų99122.3 Ų122.352%0.51859%0.594SS.*Hα-helixtrans-54.6-42.4174.7-87.6154.7000112.3L7 F8 Y14 N15L7-L11 HydrophobicContact CD2-CD1 4.17Å; L7-L11 WeakPolarHBondContact O-CB 3.35Å; L7-L11 WeakPolarHBondContact O-CD1 3.04Å; L7-L11 WeakPolarHBondContact O-CG 3.32Å; L7-L11 PolarHBondContact O-N 2.76Å; F8-L11 PolarHBondContact O-N 2.75Å; L11-Y14 PolarHBondContact O-N 3.15Å; L11-N15 WeakPolarHBondContact O-CB 3.29Å; L11-N15 PolarHBondContact O-N 3.24Å
12N56.2Low51.2Low97 Ų97117.3 Ų117.352%0.51957%0.567SS.*Hα-helixtrans-71.4-38.9-178.9-150.518.7000112.7F8 R9 F10 Y14 N15 Q16F8-N12 WeakPolarHBondContact O-CB 3.32Å; F8-N12 PolarHBondContact O-N 3.29Å; R9-N12 PolarHBondContact O-N 3.15Å; F10-N12 VanDerWaalsContact C-N 3.26Å; F10-N12 PolarHBondContact O-N 3.2Å; N12-Y14 VanDerWaalsContact C-N 3.35Å; N12-N15 PolarHBondContact O-N 2.95Å; N12-Q16 WeakPolarHBondContact O-CB 3.26Å; N12-Q16 VanDerWaalsContact O-CG 3.27Å; N12-Q16 WeakPolarHBondContact O-CG 3.45Å; N12-Q16 PolarHBondContact O-N 3.09Å
13Y56.5Low51.6Low170 Ų170116.8 Ų116.867%0.66757%0.566SS**Hα-helixtrans-63.4-42.1174-170.3-95.3000111.3R9 F10 Q16 D17R9-Y13 WeakPolarHBondContact O-CB 3.32Å; R9-Y13 PolarHBondContact O-N 3.35Å; F10-Y13 PolarHBondContact O-N 3.28Å; Y13-Q16 PolarHBondContact O-N 3.22Å; Y13-D17 PolarHBondContact O-N 2.98Å; Y13-D17 VanDerWaalsContact O-N 3.13Å
14Y55.3Low51.9Low102 Ų102119.3 Ų119.340%0.457%0.574SS.*Hα-helixtrans-67.3-36.7176.6-88.3-100.2000113.1F10 L11 N12 Y18F10-Y14 AromaticContact CD1-CD2 3.68Å; F10-Y14 HydrophobicContact CD1-CD2 3.68Å; F10-Y14 AromaticContact CD1-CE2 3.75Å; F10-Y14 HydrophobicContact CD1-CE2 3.75Å; F10-Y14 HydrophobicContact CD2-CD2 4.2Å; F10-Y14 AromaticContact CD2-CE2 3.74Å; F10-Y14 HydrophobicContact CD2-CE2 3.74Å; F10-Y14 AromaticContact CE1-CD2 3.58Å; F10-Y14 HydrophobicContact CE1-CD2 3.58Å; F10-Y14 HydrophobicContact CE1-CE1 4.44Å; F10-Y14 AromaticContact CE1-CE2 3.25Å; F10-Y14 HydrophobicContact CE1-CE2 3.25Å; F10-Y14 HydrophobicContact CE1-CG 4.3Å; F10-Y14 AromaticContact CE1-CZ 3.7Å; F10-Y14 HydrophobicContact CE2-CD2 4.13Å; F10-Y14 AromaticContact CE2-CE2 3.26Å; F10-Y14 HydrophobicContact CE2-CE2 3.26Å; F10-Y14 AromaticContact CE2-CZ 3.92Å; F10-Y14 HydrophobicContact CG-CD2 4.02Å; F10-Y14 AromaticContact CG-CE2 3.98Å; F10-Y14 HydrophobicContact CG-CE2 3.98Å; F10-Y14 AromaticContact CZ-CD2 3.83Å; F10-Y14 HydrophobicContact CZ-CD2 3.83Å; F10-Y14 HydrophobicContact CZ-CE1 4.39Å; F10-Y14 AromaticContact CZ-CE2 3Å; F10-Y14 HydrophobicContact CZ-CE2 3Å; F10-Y14 AromaticContact CZ-CZ 3.32Å; F10-Y14 VanDerWaalsContact CZ-OH 3.29Å; F10-Y14 WeakPolarHBondContact CZ-OH 3.41Å; F10-Y14 WeakPolarHBondContact O-CD2 3.18Å; F10-Y14 PolarHBondContact O-N 3.42Å; L11-Y14 PolarHBondContact O-N 3.15Å; N12-Y14 VanDerWaalsContact C-N 3.35Å; Y14-Y18 WeakPolarHBondContact O-CB 3.21Å; Y14-Y18 PolarHBondContact O-N 3.08Å
15N55.9Low51.4Low95 Ų95115.8 Ų115.851%0.50858%0.576SS.*Hα-helixtrans-70.6-38.5177.1-119.6-14.3000112L11 N12 Y18 L19L11-N15 WeakPolarHBondContact O-CB 3.29Å; L11-N15 PolarHBondContact O-N 3.24Å; N12-N15 PolarHBondContact O-N 2.95Å; N15-Y18 PolarHBondContact O-N 2.07Å; N15-L19 WeakPolarHBondContact O-CG 3.48Å; N15-L19 PolarHBondContact O-N 3.17Å
16Q50.8Low50.8Low113 Ų113114.8 Ų114.853%0.52859%0.585SS.*Hα-helixtrans-65.9-41.2177.9-77.2-90.6-28.700112.3N12 Y13 L19 N20N12-Q16 WeakPolarHBondContact O-CB 3.26Å; N12-Q16 VanDerWaalsContact O-CG 3.27Å; N12-Q16 WeakPolarHBondContact O-CG 3.45Å; N12-Q16 PolarHBondContact O-N 3.09Å; Y13-Q16 PolarHBondContact O-N 3.22Å; Q16-L19 PolarHBondContact O-N 3.4Å; Q16-N20 WeakPolarHBondContact O-CB 3.27Å; Q16-N20 PolarHBondContact O-N 3.3Å; Q16-N20 PolarHBondContact O-ND2 3.49Å
17D53.2Low50.1Low74 Ų74114.7 Ų114.740%0.39659%0.586SS.*Hα-helixtrans-69-35.1176-154.3-103.7000112Y13 N20 K21Y13-D17 PolarHBondContact O-N 2.98Å; Y13-D17 VanDerWaalsContact O-N 3.13Å; D17-N20 PolarHBondContact O-N 3.25Å; D17-K21 WeakPolarHBondContact O-CG 3.5Å; D17-K21 PolarHBondContact O-N 2.96Å; D17-K21 WeakPolarHBondContact OD1-CE 3.39Å; D17-K21 IonicContact OD1-NZ 3.7Å
18Y49.9Very low49.8Very low156 Ų156113 Ų11361%0.61259%0.589SS**Hα-helixtrans-66.4-40.8176.4-164.1-94.8000112.3Y14 N15 Q22Y14-Y18 WeakPolarHBondContact O-CB 3.21Å; Y14-Y18 PolarHBondContact O-N 3.08Å; N15-Y18 PolarHBondContact O-N 2.07Å; Y18-Q22 PolarHBondContact O-N 3.45Å
19L46.8Very low49.6Very low89 Ų89111.5 Ų111.547%0.46659%0.59SS.*Hα-helixtrans-68.1-43.4175.7-72.2165.3000111.2N15 Q16 K21 Q22N15-L19 WeakPolarHBondContact O-CG 3.48Å; N15-L19 PolarHBondContact O-N 3.17Å; Q16-L19 PolarHBondContact O-N 3.4Å; L19-K21 PolarHBondContact O-N 2.74Å; L19-Q22 PolarHBondContact O-N 2.89Å; L19-Q22 VanDerWaalsContact O-N 3.12Å
20N49.4Very low49.7Very low102 Ų102105 Ų10555%0.54558%0.575SS.*Hα-helixtrans-64.8-21.3179.3-83-28000114.5Q16 D17 N24Q16-N20 WeakPolarHBondContact O-CB 3.27Å; Q16-N20 PolarHBondContact O-N 3.3Å; Q16-N20 PolarHBondContact O-ND2 3.49Å; D17-N20 PolarHBondContact O-N 3.25Å; N20-N24 PolarHBondContact O-ND2 3.49Å
21K50.7Low49.5Very low107 Ų107101 Ų10147%0.46556%0.561SS.*Hα-helixtrans-90.1-16.5175.8-72.4-172.9-177.6-176.20114D17 L19D17-K21 WeakPolarHBondContact O-CG 3.5Å; D17-K21 PolarHBondContact O-N 2.96Å; D17-K21 WeakPolarHBondContact OD1-CE 3.39Å; D17-K21 IonicContact OD1-NZ 3.7Å; L19-K21 PolarHBondContact O-N 2.74Å
22Q47.9Very low49.8Very low138 Ų13898.7 Ų98.765%0.64555%0.552SS**Hα-helixtrans-81.1-30.1179.4-162.5169.920.900112.2Y18 L19Y18-Q22 PolarHBondContact O-N 3.45Å; L19-Q22 PolarHBondContact O-N 2.89Å; L19-Q22 VanDerWaalsContact O-N 3.12Å
23D45.7Very low49.7Very low138 Ų13898.6 Ų98.674%0.73855%0.548SS*.SBendtrans-82.3-18.1-178.3-70.7-41.1000114G25D23-G25 PolarHBondContact O-N 3.26Å
24N45.1Very low49.7Very low128 Ų12894 Ų9468%0.68453%0.532SS*.  trans-92.490.5172.9-74.6-55.7000109.8N20 G26N20-N24 PolarHBondContact O-ND2 3.49Å; N24-G26 PolarHBondContact O-N 3.03Å
25G40.8Very low49.6Very low90 Ų9094.4 Ų94.493%0.92854%0.539SS*.  trans-62.35616800000113.9D23D23-G25 PolarHBondContact O-N 3.26Å
26G38.4Very low49.4Very low60 Ų6094.4 Ų94.462%0.61954%0.539SS*.  trans-124.1102.2-177.600000111.4N24N24-G26 PolarHBondContact O-N 3.03Å
27S39.8Very low49.3Very low98 Ų9895.1 Ų95.169%0.68555%0.546SS*.  trans51.4113.5154.8-154.30000118.4T29S27-T29 VanDerWaalsContact C-N 3.25Å; S27-T29 PolarHBondContact O-N 3.39Å; S27-T29 PolarHBondContact O-OG1 2.87Å
28A45.8Very low48.9Very low79 Ų7998.9 Ų98.965%0.65356%0.561SS**SBendtrans-5471.7171.900000114.5
29T49.6Very low48.2Very low84 Ų8493.9 Ų93.952%0.51555%0.549SS..  trans-138.110-175.650.80000114.1S27S27-T29 VanDerWaalsContact C-N 3.25Å; S27-T29 PolarHBondContact O-N 3.39Å; S27-T29 PolarHBondContact O-OG1 2.87Å
30S51.9Low48.1Very low68 Ų68101.2 Ų101.248%0.47657%0.572SS.*  trans-107.192.2-177.3160.60000111.8T32S30-T32 PolarHBondContact O-N 3.17Å; S30-T32 VanDerWaalsContact O-N 3.17Å
31C53.8Low48Very low33 Ų33102.3 Ų102.322%0.22358%0.582CS.*  trans-62.9113.9163.2-160.30000108H33 C47 C49 L57C31-H33 PolarHBondContact O-N 3.26Å; C31-C47 WeakPolarHBondContact CB-SG 3.35Å; C31-C47 WeakPolarHBondContact SG-CB 3.49Å; C31-C47 CovalentContact SG-SG 2.07Å; C31-C47 PolarHBondContact SG-SG 3.01Å; C31-C49 HydrophobicContact CB-CB 3.7Å; C31-C49 WeakPolarHBondContact SG-CB 3.33Å; C31-C49 PolarHBondContact SG-SG 3.46Å; C31-L57 HydrophobicContact CB-CD1 3.8Å; C31-L57 WeakPolarHBondContact SG-CD1 3.43Å
32T61.4Low47.3Very low52 Ų52100.8 Ų100.832%0.31958%0.579SS.*EExtended strand (participates in β ladder)trans-92.998.9174.4-53.60000108.4S30 K34 C47 F48S30-T32 PolarHBondContact O-N 3.17Å; S30-T32 VanDerWaalsContact O-N 3.17Å; T32-K34 HydrophobicContact CG2-CG 4.5Å; T32-C47 WeakPolarHBondContact O-CA 3.34Å; T32-C47 PolarHBondContact O-SG 2.69Å; T32-F48 PolarHBondContact N-O 3.13Å; T32-F48 PolarHBondContact O-N 3.23Å
33H54.6Low47.2Very low94 Ų94104.2 Ų104.244%0.43559%0.586SS.*EExtended strand (participates in β ladder)trans-79.9118.8173.6-110169.3000110.1C31 C47C31-H33 PolarHBondContact O-N 3.26Å; H33-C47 WeakPolarHBondContact CD2-CB 3.43Å; H33-C47 PolarHBondContact CD2-SG 3.21Å; H33-C47 PolarHBondContact N-SG 3.48Å
34K56.7Low47.4Very low74 Ų74103.9 Ų103.932%0.32258%0.575SS.*EExtended strand (participates in β ladder)trans-109.9108.6171.7-67.8-177.2-178.8177.60108.5T32 L36 S45 L46 F48T32-K34 HydrophobicContact CG2-CG 4.5Å; K34-L36 PolarHBondContact O-N 2.94Å; K34-S45 CarbonylContact O-C 3.53Å; K34-S45 WeakPolarHBondContact O-CA 3.46Å; K34-L46 HydrophobicContact CB-CB 4.19Å; K34-L46 PolarHBondContact N-O 2.82Å; K34-L46 PolarHBondContact O-N 2.87Å; K34-F48 HydrophobicContact CD-CD2 4.29Å; K34-F48 HydrophobicContact CD-CE2 4.06Å
35I52.9Low47.6Very low110 Ų110100.2 Ų100.256%0.56456%0.559SS**EExtended strand (participates in β ladder)trans-81.4106.9168.9-61.1169.7000107R43 Y44I35-R43 HydrophobicContact CG2-CB 4.45Å; I35-Y44 CarbonylContact C-O 3.57Å; I35-Y44 WeakPolarHBondContact CA-O 3.47Å
36L52.9Low48.4Very low96 Ų9698.2 Ų98.250%0.50353%0.527SS..EExtended strand (participates in β ladder)trans-85.8109.9167.8-76.5172000108.4K34 H38 Y44 L46K34-L36 PolarHBondContact O-N 2.94Å; L36-H38 PolarHBondContact O-N 3.49Å; L36-Y44 PolarHBondContact N-O 3.44Å; L36-Y44 PolarHBondContact O-N 3.48Å; L36-L46 HydrophobicContact CD1-CD1 3.25Å; L36-L46 HydrophobicContact CD1-CG 4.27Å; L36-L46 HydrophobicContact CG-CD1 4.16Å
37L48.8Very low49.2Very low127 Ų12795.7 Ų95.767%0.66550%0.5SS*.EExtended strand (participates in β ladder)trans-77.4101.3166-77.8156000107.7R43L37-R43 HydrophobicContact CD2-CG 4.07Å
38H43.4Very low50.4Low154 Ų15496.4 Ų96.471%0.71349%0.491SS*.SBendtrans-90.6-12.2174.7-167-100.8000112.1L36 D42 Y44L36-H38 PolarHBondContact O-N 3.49Å; H38-D42 PolarHBondContact N-O 2.89Å; H38-Y44 HydrophobicContact CB-CD2 4.05Å; H38-Y44 HydrophobicContact CB-CE2 4.23Å
39S36.4Very low51Low51 Ų5193.6 Ų93.636%0.35747%0.466SS..SBendtrans-170.9170.4171.359.30000108.9V41 D42S39-V41 PolarHBondContact O-N 2.87Å; S39-V41 PolarHBondContact OG-N 3.41Å; S39-D42 PolarHBondContact OG-N 3.45Å; S39-D42 VanDerWaalsContact OG-N 3.14Å
40Y43.9Very low51.5Low243 Ų24394.2 Ų94.295%0.95347%0.467SS*.SBendtrans-59-12.1171.8-89.4-91000113.5
41V47.3Very low51.8Low125 Ų12597.4 Ų97.476%0.75847%0.474SS*.SBendtrans-106.8-36.9-172.9-177.50000112.2S39S39-V41 PolarHBondContact O-N 2.87Å; S39-V41 PolarHBondContact OG-N 3.41Å
42D36.9Very low52.1Low74 Ų74103.9 Ų103.940%0.39649%0.494SS..  trans-113.2110.8-174.9-68.3-55.8000113H38 S39 Y44H38-D42 PolarHBondContact N-O 2.89Å; S39-D42 PolarHBondContact OG-N 3.45Å; S39-D42 VanDerWaalsContact OG-N 3.14Å; D42-Y44 HydrophobicContact CB-CD2 4.13Å; D42-Y44 HydrophobicContact CB-CE2 3.5Å; D42-Y44 VanDerWaalsContact CB-CE2 3.5Å
43R46.3Very low52Low211 Ų211105.3 Ų105.380%0.79650%0.495SS*.EExtended strand (participates in β ladder)trans-92.9106.6169-65180-171.6178.92.7108.7I35 L37I35-R43 HydrophobicContact CG2-CB 4.45Å; L37-R43 HydrophobicContact CD2-CG 4.07Å
44Y48.4Very low52.2Low131 Ų131101.2 Ų101.251%0.51448%0.477SS..EExtended strand (participates in β ladder)trans-94.2123.7169.3-66.4-84000108.9I35 L36 H38 D42I35-Y44 CarbonylContact C-O 3.57Å; I35-Y44 WeakPolarHBondContact CA-O 3.47Å; L36-Y44 PolarHBondContact N-O 3.44Å; L36-Y44 PolarHBondContact O-N 3.48Å; H38-Y44 HydrophobicContact CB-CD2 4.05Å; H38-Y44 HydrophobicContact CB-CE2 4.23Å; D42-Y44 HydrophobicContact CB-CD2 4.13Å; D42-Y44 HydrophobicContact CB-CE2 3.5Å; D42-Y44 VanDerWaalsContact CB-CE2 3.5Å
45S50.7Low52.4Low51 Ų51105.8 Ų105.836%0.35750%0.497SS..EExtended strand (participates in β ladder)trans-99.7116171.857.70000110.1K34K34-S45 CarbonylContact O-C 3.53Å; K34-S45 WeakPolarHBondContact O-CA 3.46Å
46L56.5Low52.6Low47 Ų47106.1 Ų106.125%0.24650%0.499CS..EExtended strand (participates in β ladder)trans-93.9106.2167.6-78.8165.8000108.5K34 L36 F48 D62K34-L46 HydrophobicContact CB-CB 4.19Å; K34-L46 PolarHBondContact N-O 2.82Å; K34-L46 PolarHBondContact O-N 2.87Å; L36-L46 HydrophobicContact CD1-CD1 3.25Å; L36-L46 HydrophobicContact CD1-CG 4.27Å; L36-L46 HydrophobicContact CG-CD1 4.16Å; L46-F48 HydrophobicContact CB-CE2 4.03Å; L46-F48 HydrophobicContact CD1-CE2 4.48Å; L46-D62 HydrophobicContact CD2-CB 4.01Å
47C56.1Low53.1Low8 Ų8105.9 Ų105.95%0.05450%0.498CS..EExtended strand (participates in β ladder)trans-87.9131.6161.7-139.70000110.6C31 T32 H33 C49 C59C31-C47 WeakPolarHBondContact CB-SG 3.35Å; C31-C47 WeakPolarHBondContact SG-CB 3.49Å; C31-C47 CovalentContact SG-SG 2.07Å; C31-C47 PolarHBondContact SG-SG 3.01Å; T32-C47 WeakPolarHBondContact O-CA 3.34Å; T32-C47 PolarHBondContact O-SG 2.69Å; H33-C47 WeakPolarHBondContact CD2-CB 3.43Å; H33-C47 PolarHBondContact CD2-SG 3.21Å; H33-C47 PolarHBondContact N-SG 3.48Å; C47-C49 VanDerWaalsContact CB-SG 3.55Å; C47-C59 HydrophobicContact CB-CB 3.91Å; C47-C59 VanDerWaalsContact CB-SG 3.51Å; C47-C59 PolarHBondContact N-SG 3.18Å
48F63.5Low53.5Low113 Ų113103.2 Ų103.250%0.49650%0.501SS..EExtended strand (participates in β ladder)trans-102.1101.6163.3-68.4-89.5000107.6T32 K34 L46T32-F48 PolarHBondContact N-O 3.13Å; T32-F48 PolarHBondContact O-N 3.23Å; K34-F48 HydrophobicContact CD-CD2 4.29Å; K34-F48 HydrophobicContact CD-CE2 4.06Å; L46-F48 HydrophobicContact CB-CE2 4.03Å; L46-F48 HydrophobicContact CD1-CE2 4.48Å
49C59.6Low54.1Low19 Ų1996.5 Ų96.513%0.12847%0.471CS..  trans-147.8165.1-179.333.20000110.1C31 C47 F61C31-C49 HydrophobicContact CB-CB 3.7Å; C31-C49 WeakPolarHBondContact SG-CB 3.33Å; C31-C49 PolarHBondContact SG-SG 3.46Å; C47-C49 VanDerWaalsContact CB-SG 3.55Å; C49-F61 VanDerWaalsContact O-CE2 3.26Å; C49-F61 WeakPolarHBondContact O-CE2 3.37Å
50D60.4Low54.8Low98 Ų9898.7 Ų98.752%0.52449%0.486SS..  trans-66.8152.3165.2-70.2-52.7000111.5Y52 Y53 A54D50-Y52 PolarHBondContact O-N 3.46Å; D50-Y53 PolarHBondContact O-N 2.92Å; D50-A54 PolarHBondContact O-N 3.4Å
51H57.6Low55.1Low135 Ų13591.9 Ų91.963%0.62546%0.462SS*.Hα-helixtrans-52.3-30.8-171-173.3-110.6000114.1
52Y59.3Low55.2Low168 Ų16889.9 Ų89.966%0.65945%0.447SS*.Hα-helixtrans-65-46.8177-175.9-97.6000112.5D50 L56D50-Y52 PolarHBondContact O-N 3.46Å; Y52-L56 PolarHBondContact O-N 2.99Å
53Y60Low55.5Low83 Ų8396.9 Ų96.933%0.32547%0.468SS..Hα-helixtrans-76.7-30.3-177.6-84.8-80.9000113.1D50 K55 L56 L57D50-Y53 PolarHBondContact O-N 2.92Å; Y53-K55 VanDerWaalsContact C-N 3.28Å; Y53-K55 PolarHBondContact O-N 3.38Å; Y53-L56 HydrophobicContact CD1-CD2 4.21Å; Y53-L56 HydrophobicContact CE1-CD2 4.31Å; Y53-L56 PolarHBondContact O-N 3Å; Y53-L56 VanDerWaalsContact O-N 3.15Å; Y53-L57 PolarHBondContact O-N 3.39Å
54A59.4Low55.2Low7 Ų794.9 Ų94.96%0.05847%0.465CS..Hα-helixtrans-58.2-42.3173.600000111.7D50 G58 C59 F61D50-A54 PolarHBondContact O-N 3.4Å; A54-G58 PolarHBondContact O-N 3.38Å; A54-C59 PolarHBondContact O-N 3.18Å; A54-F61 HydrophobicContact CB-CD2 3.83Å; A54-F61 HydrophobicContact CB-CE2 4.49Å
55K59.4Low54.8Low171 Ų171100.5 Ų100.574%0.74349%0.485SS*.Hα-helixtrans-64.9-42.4173.5-97-174.8176.6-176.60112.5Y53 L57Y53-K55 VanDerWaalsContact C-N 3.28Å; Y53-K55 PolarHBondContact O-N 3.38Å; K55-L57 PolarHBondContact O-N 2.93Å
56L58.9Low53.9Low117 Ų117107.2 Ų107.261%0.61351%0.508SS*.Hα-helixtrans-64.1-40.2-177.5-161.689.5000112.3Y52 Y53Y52-L56 PolarHBondContact O-N 2.99Å; Y53-L56 HydrophobicContact CD1-CD2 4.21Å; Y53-L56 HydrophobicContact CE1-CD2 4.31Å; Y53-L56 PolarHBondContact O-N 3Å; Y53-L56 VanDerWaalsContact O-N 3.15Å
57L62.2Low52.6Low91 Ų91115.1 Ų115.148%0.47654%0.54SS..THydrogen-bonded Turntrans-90.70.1-175-69.5166.5000113.9C31 Y53 K55 C59C31-L57 HydrophobicContact CB-CD1 3.8Å; C31-L57 WeakPolarHBondContact SG-CD1 3.43Å; Y53-L57 PolarHBondContact O-N 3.39Å; K55-L57 PolarHBondContact O-N 2.93Å; L57-C59 PolarHBondContact O-N 2.96Å
58G56.9Low51.8Low71 Ų71125.6 Ų125.673%0.73260%0.595SS**THydrogen-bonded Turntrans64.725.9-178.500000113.9A54A54-G58 PolarHBondContact O-N 3.38Å
59C57.1Low51.2Low13 Ų13126.3 Ų126.39%0.08860%0.6CS.*  trans-92.7131.5179.7-171.90000111C47 A54 L57 F61C47-C59 HydrophobicContact CB-CB 3.91Å; C47-C59 VanDerWaalsContact CB-SG 3.51Å; C47-C59 PolarHBondContact N-SG 3.18Å; A54-C59 PolarHBondContact O-N 3.18Å; L57-C59 PolarHBondContact O-N 2.96Å; C59-F61 PolarHBondContact O-N 2.71Å
60S51.4Low50.7Low96 Ų96131.9 Ų131.967%0.67162%0.624SS**  trans-69.1124.1172.615.80000110.6D62S60-D62 PolarHBondContact O-N 3.41Å
61F50.2Low50.2Low100 Ų100133.8 Ų133.844%0.43963%0.63SS.*  trans-80.494.8-178.6-158.6-88.3000109.9C49 A54 C59 R63C49-F61 VanDerWaalsContact O-CE2 3.26Å; C49-F61 WeakPolarHBondContact O-CE2 3.37Å; A54-F61 HydrophobicContact CB-CD2 3.83Å; A54-F61 HydrophobicContact CB-CE2 4.49Å; C59-F61 PolarHBondContact O-N 2.71Å; F61-R63 HydrophobicContact CD1-CB 4.08Å; F61-R63 HydrophobicContact CD1-CG 4.41Å; F61-R63 HydrophobicContact CE1-CB 4.19Å; F61-R63 HydrophobicContact CE1-CG 4Å; F61-R63 PolarHBondContact O-N 3.39Å; F61-R63 VanDerWaalsContact O-N 3.15Å
62D48.7Very low49.8Very low83 Ų83133.7 Ų133.744%0.44463%0.63SS.*  trans-83.793.5175.5-158-66.6000110.3L46 S60 K64L46-D62 HydrophobicContact CD2-CB 4.01Å; S60-D62 PolarHBondContact O-N 3.41Å; D62-K64 PolarHBondContact O-N 3.03Å; D62-K64 WeakPolarHBondContact OD1-CB 3.44Å; D62-K64 WeakPolarHBondContact OD1-CD 3.39Å; D62-K64 WeakPolarHBondContact OD1-CG 3.27Å; D62-K64 PolarHBondContact OD1-N 3.49Å
63R42.1Very low49.2Very low222 Ų222131.6 Ų131.684%0.83863%0.629SS**  trans-83.841.9171.8-143.5-179.9-164.1-172.25.5110.9F61 R65F61-R63 HydrophobicContact CD1-CB 4.08Å; F61-R63 HydrophobicContact CD1-CG 4.41Å; F61-R63 HydrophobicContact CE1-CB 4.19Å; F61-R63 HydrophobicContact CE1-CG 4Å; F61-R63 PolarHBondContact O-N 3.39Å; F61-R63 VanDerWaalsContact O-N 3.15Å; R63-R65 PolarHBondContact O-N 3.12Å
64K41.9Very low48.5Very low168 Ų168134.8 Ų134.873%0.7365%0.649SS**  trans-8591.1171.7-71.9175179.8167.70110.9D62 K66D62-K64 PolarHBondContact O-N 3.03Å; D62-K64 WeakPolarHBondContact OD1-CB 3.44Å; D62-K64 WeakPolarHBondContact OD1-CD 3.39Å; D62-K64 WeakPolarHBondContact OD1-CG 3.27Å; D62-K64 PolarHBondContact OD1-N 3.49Å; K64-K66 PolarHBondContact O-N 3.45Å; K64-K66 VanDerWaalsContact O-N 3.09Å
65R38.5Very low47.7Very low250 Ų250143.9 Ų143.994%0.94369%0.691SS**  trans-55.9107.3145.7-86.1-175.5172.8177.9-2.1107.7R63R63-R65 PolarHBondContact O-N 3.12Å
66K31.5Very low46.8Very low192 Ų192141.8 Ų141.884%0.83569%0.687SS**  trans-85.9109153.9-98.4-175.5173.2-178.40107.4K64 L68K64-K66 PolarHBondContact O-N 3.45Å; K64-K66 VanDerWaalsContact O-N 3.09Å; K66-L68 PolarHBondContact O-N 3.34Å
67K29.9Very low45.8Very low212 Ų212143.9 Ų143.992%0.92269%0.693SS**  trans-68.2110.9150.4-119.7-179.3177.7-175.80104.9
68L38.7Very low44.3Very low229 Ų229148.7 Ų148.7100%1.19971%0.713SS**  trans-83.80155.1-100.7153.7000107.1K66K66-L68 PolarHBondContact O-N 3.34Å

Retrieved 68 of 68 residues in 91.6 ms (Link to these results)