A0A078BQM5_CAEEL Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A078BQM5, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 145 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
1M53.9Low63.4Low211 Ų211111.5 Ų111.5100%1.03957%0.574SS**  0-38.10-63-172.5-175.600113.4S3 I4M1-S3 PolarHBondContact O-N 2.91Å; M1-S3 VanDerWaalsContact O-N 3.16Å; M1-I4 PolarHBondContact O-N 3.49Å
2A53.5Low63.4Low70 Ų70111.3 Ų111.358%0.57957%0.573SS**Hα-helixtrans-59.7-25.4179.700000115.9R6A2-R6 PolarHBondContact O-N 3.23Å
3S62.9Low63.3Low96 Ų96109.9 Ų109.967%0.67157%0.567SS**Hα-helixtrans-68.8-33.2-179.4-164.80000113.5M1 F7M1-S3 PolarHBondContact O-N 2.91Å; M1-S3 VanDerWaalsContact O-N 3.16Å; S3-F7 PolarHBondContact O-N 3.01Å; S3-F7 VanDerWaalsContact O-N 3.17Å
4I62.1Low63.3Low113 Ų113109.1 Ų109.158%0.57956%0.563SS**Hα-helixtrans-73.6-39.8-176.9-65.1167.8000109.7M1 R6 F7 N8M1-I4 PolarHBondContact O-N 3.49Å; I4-R6 PolarHBondContact O-N 3.36Å; I4-F7 PolarHBondContact O-N 3.3Å; I4-N8 WeakPolarHBondContact CG2-ND2 3.48Å; I4-N8 WeakPolarHBondContact O-CB 3.41Å; I4-N8 PolarHBondContact O-N 3.34Å; I4-N8 PolarHBondContact O-ND2 2.75Å; I4-N8 VanDerWaalsContact O-ND2 3.11Å
5I62.6Low62.8Low107 Ų107104.9 Ų104.955%0.54955%0.545SS..Hα-helixtrans-62.2-44.4177.8-58.6172.5000110.6F7 N8 I9I5-F7 PolarHBondContact O-N 2.98Å; I5-N8 PolarHBondContact O-N 3.02Å; I5-I9 HydrophobicContact CG2-CD1 3.93Å; I5-I9 VanDerWaalsContact O-CG1 3.3Å; I5-I9 WeakPolarHBondContact O-CG1 3.27Å; I5-I9 PolarHBondContact O-N 2.89Å
6R65.2Low62.3Low197 Ų197105.3 Ų105.374%0.74354%0.542SS*.Hα-helixtrans-64.4-38.9177.2-69.9-174.6179.1-173.3-0.3112.7A2 I4 I9 L10A2-R6 PolarHBondContact O-N 3.23Å; I4-R6 PolarHBondContact O-N 3.36Å; R6-I9 PolarHBondContact O-N 3.23Å; R6-L10 WeakPolarHBondContact O-CB 3.44Å; R6-L10 PolarHBondContact O-N 2.78Å
7F69.3Low61.5Low129 Ų129102.5 Ų102.557%0.56654%0.538SS*.Hα-helixtrans-65.8-41.7176.4-169.8-102.3000111.7S3 I4 I5 L10 L11S3-F7 PolarHBondContact O-N 3.01Å; S3-F7 VanDerWaalsContact O-N 3.17Å; I4-F7 PolarHBondContact O-N 3.3Å; I5-F7 PolarHBondContact O-N 2.98Å; F7-L10 PolarHBondContact O-N 3.26Å; F7-L11 HydrophobicContact CD1-CD1 3.71Å; F7-L11 HydrophobicContact CD1-CG 4.32Å; F7-L11 HydrophobicContact CE1-CD1 3.47Å; F7-L11 VanDerWaalsContact CE1-CD1 3.47Å; F7-L11 HydrophobicContact CE1-CG 4.12Å; F7-L11 HydrophobicContact CZ-CD1 4.25Å; F7-L11 WeakPolarHBondContact O-CG 3.49Å; F7-L11 PolarHBondContact O-N 2.92Å
8N64.3Low60.8Low32 Ų32105.3 Ų105.317%0.17155%0.545CS..Hα-helixtrans-65.5-40176.1-73.2-38.1000112.6I4 I5 L10 L11 L12 F140I4-N8 WeakPolarHBondContact CG2-ND2 3.48Å; I4-N8 WeakPolarHBondContact O-CB 3.41Å; I4-N8 PolarHBondContact O-N 3.34Å; I4-N8 PolarHBondContact O-ND2 2.75Å; I4-N8 VanDerWaalsContact O-ND2 3.11Å; I5-N8 PolarHBondContact O-N 3.02Å; N8-L10 VanDerWaalsContact C-N 3.35Å; N8-L11 PolarHBondContact O-N 2.8Å; N8-L12 WeakPolarHBondContact O-CB 3.48Å; N8-L12 PolarHBondContact O-N 2.84Å; N8-F140 HydrophobicContact CB-CE1 4.16Å; N8-F140 VanDerWaalsContact OD1-CE1 3.29Å; N8-F140 WeakPolarHBondContact OD1-CE1 3.49Å; N8-F140 VanDerWaalsContact OD1-CZ 3.22Å; N8-F140 WeakPolarHBondContact OD1-CZ 3.29Å
9I68.4Low59.8Low94 Ų94101.8 Ų101.848%0.48253%0.53SS..Hα-helixtrans-64.7-40.9174.4-67.5167.8000110.9I5 R6 L12 L13I5-I9 HydrophobicContact CG2-CD1 3.93Å; I5-I9 VanDerWaalsContact O-CG1 3.3Å; I5-I9 WeakPolarHBondContact O-CG1 3.27Å; I5-I9 PolarHBondContact O-N 2.89Å; R6-I9 PolarHBondContact O-N 3.23Å; I9-L12 PolarHBondContact O-N 2.75Å; I9-L13 HydrophobicContact CG2-CD1 3.97Å; I9-L13 HydrophobicContact CG2-CG 4.47Å; I9-L13 WeakPolarHBondContact O-CG 3.38Å; I9-L13 PolarHBondContact O-N 2.91Å
10L68.5Low58.7Low107 Ų107101.7 Ų101.756%0.5654%0.539SS*.Hα-helixtrans-62.8-44.4178-160.482000111.4R6 F7 N8 L12 L13 L14R6-L10 WeakPolarHBondContact O-CB 3.44Å; R6-L10 PolarHBondContact O-N 2.78Å; F7-L10 PolarHBondContact O-N 3.26Å; N8-L10 VanDerWaalsContact C-N 3.35Å; L10-L12 VanDerWaalsContact C-N 3.27Å; L10-L12 PolarHBondContact O-N 2.78Å; L10-L13 PolarHBondContact O-N 2.92Å; L10-L14 HydrophobicContact CG-CD1 4.35Å; L10-L14 VanDerWaalsContact O-CD1 3.25Å; L10-L14 WeakPolarHBondContact O-CD1 3.43Å; L10-L14 PolarHBondContact O-N 2.78Å; L10-L14 VanDerWaalsContact O-N 3.11Å
11L67.1Low57.7Low71 Ų71101.7 Ų101.737%0.37254%0.543SS..Hα-helixtrans-61.7-35.8174.9-74.9174.5000112.4F7 N8 L13 P15F7-L11 HydrophobicContact CD1-CD1 3.71Å; F7-L11 HydrophobicContact CD1-CG 4.32Å; F7-L11 HydrophobicContact CE1-CD1 3.47Å; F7-L11 VanDerWaalsContact CE1-CD1 3.47Å; F7-L11 HydrophobicContact CE1-CG 4.12Å; F7-L11 HydrophobicContact CZ-CD1 4.25Å; F7-L11 WeakPolarHBondContact O-CG 3.49Å; F7-L11 PolarHBondContact O-N 2.92Å; N8-L11 PolarHBondContact O-N 2.8Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L11-P15 VanDerWaalsContact O-CD 3.31Å; L11-P15 WeakPolarHBondContact O-CD 3.34Å
12L63.3Low56.9Low108 Ų10895.2 Ų95.257%0.56552%0.515SS*.Hα-helixtrans-70.8-30.8178.5-154.3138.7000112.2N8 I9 L10 P15 F16N8-L12 WeakPolarHBondContact O-CB 3.48Å; N8-L12 PolarHBondContact O-N 2.84Å; I9-L12 PolarHBondContact O-N 2.75Å; L10-L12 VanDerWaalsContact C-N 3.27Å; L10-L12 PolarHBondContact O-N 2.78Å; L12-P15 WeakPolarHBondContact O-CD 3.49Å; L12-F16 HydrophobicContact CD2-CE2 4.38Å; L12-F16 VanDerWaalsContact O-CD2 3.24Å; L12-F16 WeakPolarHBondContact O-CD2 3.39Å
13L62.1Low56.1Low94 Ų9498 Ų9849%0.49253%0.525SS..Hα-helixtrans-86.7-21.6180-68.8172.9000114.4I9 L10 L11 F16 A17I9-L13 HydrophobicContact CG2-CD1 3.97Å; I9-L13 HydrophobicContact CG2-CG 4.47Å; I9-L13 WeakPolarHBondContact O-CG 3.38Å; I9-L13 PolarHBondContact O-N 2.91Å; L10-L13 PolarHBondContact O-N 2.92Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L13-F16 PolarHBondContact O-N 2.82Å; L13-A17 PolarHBondContact O-N 2.8Å
14L63.2Low55Low99 Ų9998.8 Ų98.852%0.51853%0.526SS..Hα-helixtrans-51.5-48.3177.6-112.193.7000114L10 A17 F18L10-L14 HydrophobicContact CG-CD1 4.35Å; L10-L14 VanDerWaalsContact O-CD1 3.25Å; L10-L14 WeakPolarHBondContact O-CD1 3.43Å; L10-L14 PolarHBondContact O-N 2.78Å; L10-L14 VanDerWaalsContact O-N 3.11Å; L14-A17 PolarHBondContact O-N 3.49Å; L14-F18 PolarHBondContact O-N 2.96Å; L14-F18 VanDerWaalsContact O-N 3.1Å
15P56.3Low53.8Low45 Ų45102.6 Ų102.629%0.29254%0.542SS..Hα-helixtrans-69.2-33.2179.323.7-31.5000112.9L11 L12 F18 C19L11-P15 VanDerWaalsContact O-CD 3.31Å; L11-P15 WeakPolarHBondContact O-CD 3.34Å; L12-P15 WeakPolarHBondContact O-CD 3.49Å; P15-F18 PolarHBondContact O-N 2.8Å; P15-C19 PolarHBondContact O-N 3.5Å
16F53.8Low52.8Low112 Ų112102.1 Ų102.149%0.49154%0.537SS..Hα-helixtrans-68.7-37.3174.9-70.1-83.6000112.1L12 L13 F18 C19 S20 L119L12-F16 HydrophobicContact CD2-CE2 4.38Å; L12-F16 VanDerWaalsContact O-CD2 3.24Å; L12-F16 WeakPolarHBondContact O-CD2 3.39Å; L13-F16 PolarHBondContact O-N 2.82Å; F16-F18 VanDerWaalsContact C-N 3.35Å; F16-C19 WeakPolarHBondContact O-CB 3.38Å; F16-C19 PolarHBondContact O-N 2.89Å; F16-S20 PolarHBondContact O-N 2.85Å; F16-S20 PolarHBondContact O-OG 3.27Å; F16-L119 HydrophobicContact CE1-CD2 4.19Å; F16-L119 HydrophobicContact CZ-CD2 4.26Å
17A48.9Very low51.8Low57 Ų5798.3 Ų98.347%0.47154%0.538SS..Hα-helixtrans-69-32.9175.700000112.7L13 L14 S20 T21L13-A17 PolarHBondContact O-N 2.8Å; L14-A17 PolarHBondContact O-N 3.49Å; A17-S20 PolarHBondContact O-N 2.77Å; A17-T21 PolarHBondContact O-OG1 2.8Å
18F48.5Very low50.5Low153 Ų15399.3 Ų99.367%0.67155%0.549SS*.Hα-helixtrans-71.7-35.1173.9-119.8-92.2000112.2L14 P15 F16 S20 T21L14-F18 PolarHBondContact O-N 2.96Å; L14-F18 VanDerWaalsContact O-N 3.1Å; P15-F18 PolarHBondContact O-N 2.8Å; F16-F18 VanDerWaalsContact C-N 3.35Å; F18-S20 VanDerWaalsContact C-N 3.33Å; F18-S20 PolarHBondContact O-N 3.27Å; F18-T21 PolarHBondContact O-OG1 3.1Å
19C41.7Very low49.7Very low39 Ų3999.2 Ų99.226%0.26456%0.556SS.*Hα-helixtrans-60-38.7171.2-101.10000113.3P15 F16 T21 C120P15-C19 PolarHBondContact O-N 3.5Å; F16-C19 WeakPolarHBondContact O-CB 3.38Å; F16-C19 PolarHBondContact O-N 2.89Å; C19-T21 VanDerWaalsContact C-N 3.34Å; C19-C120 HydrophobicContact CB-CB 4.39Å; C19-C120 WeakPolarHBondContact CB-SG 3.23Å; C19-C120 WeakPolarHBondContact SG-CB 3.41Å; C19-C120 CovalentContact SG-SG 2.02Å; C19-C120 PolarHBondContact SG-SG 2.96Å
20S38.7Very low49Very low100 Ų10098.1 Ų98.170%0.69956%0.556SS**THydrogen-bonded Turntrans-83.6-6.1-174.4-55.80000114.5F16 A17 F18F16-S20 PolarHBondContact O-N 2.85Å; F16-S20 PolarHBondContact O-OG 3.27Å; A17-S20 PolarHBondContact O-N 2.77Å; F18-S20 VanDerWaalsContact C-N 3.33Å; F18-S20 PolarHBondContact O-N 3.27Å
21T38.7Very low48.3Very low102 Ų10298 Ų9863%0.62656%0.556SS**THydrogen-bonded Turntrans-112.6-0.6-17446.50000114.5A17 F18 C19 T23A17-T21 PolarHBondContact O-OG1 2.8Å; F18-T21 PolarHBondContact O-OG1 3.1Å; C19-T21 VanDerWaalsContact C-N 3.34Å; T21-T23 VanDerWaalsContact C-N 3.29Å; T21-T23 PolarHBondContact O-N 3.01Å
22T37Very low47.6Very low74 Ų7498.2 Ų98.245%0.45456%0.564SS.*  trans-88.563.4168.854.40000110.9T24T22-T24 PolarHBondContact O-N 3.13Å; T22-T24 VanDerWaalsContact O-N 3.14Å
23T36Very low47.3Very low129 Ų12997.1 Ų97.179%0.79156%0.562SS**  trans-77.972.8148.150.80000106.6T21 E25T21-T23 VanDerWaalsContact C-N 3.29Å; T21-T23 PolarHBondContact O-N 3.01Å; T23-E25 PolarHBondContact O-N 2.91Å
24T38.8Very low47Very low113 Ų11399.7 Ų99.769%0.69357%0.571SS**  trans-70.1119.9166.1-42.40000105.2T22 E26T22-T24 PolarHBondContact O-N 3.13Å; T22-T24 VanDerWaalsContact O-N 3.14Å; T24-E26 PolarHBondContact O-N 3.29Å
25E37.4Very low46.6Very low193 Ų19396.1 Ų96.190%0.90256%0.558SS**  trans-57.488.7167.3-65177.4122.500107.9T23T23-E25 PolarHBondContact O-N 2.91Å
26E40.8Very low46.7Very low97 Ų9797.3 Ų97.345%0.45357%0.572SS.*  trans-76.2127.7171-131.7-174.2136.500107.1T24 D28 N124T24-E26 PolarHBondContact O-N 3.29Å; E26-D28 PolarHBondContact O-N 3.36Å; E26-N124 PolarHBondContact OE1-ND2 3.41Å
27P44.4Very low46.7Very low116 Ų11695.7 Ų95.775%0.75357%0.571SS**  trans-65.8124.718026.5-32.6000109.2G29P27-G29 VanDerWaalsContact C-N 3.28Å; P27-G29 PolarHBondContact O-N 3.49Å
28D43Very low47.1Very low150 Ų15097.1 Ų97.180%0.80257%0.574SS**  trans-56.494.4162.2-86.2-40.3000108.4E26E26-D28 PolarHBondContact O-N 3.36Å
29G48.1Very low47Very low31 Ų3194.6 Ų94.632%0.3257%0.571SS.*  trans-96.596178.400000110.1P27P27-G29 VanDerWaalsContact C-N 3.28Å; P27-G29 PolarHBondContact O-N 3.49Å
30S52.5Low47.5Very low70 Ų7097.8 Ų97.849%0.4960%0.6SS.*EExtended strand (participates in β ladder)trans-78.4116.2160.8177.30000108.1E49S30-E49 PolarHBondContact OG-OE1 3.24Å
31N53.5Low48.1Very low104 Ų10494.9 Ų94.956%0.55659%0.586SS**EExtended strand (participates in β ladder)trans-101.4113.9174.5-67.1-10.8000108.2N50N31-N50 PolarHBondContact N-O 2.79Å; N31-N50 PolarHBondContact O-N 3.37Å
32S53.1Low48.5Very low77 Ų7791.9 Ų91.954%0.53857%0.568SS.*EExtended strand (participates in β ladder)trans-101.1121.1171.767.70000110.5T48S32-T48 CarbonylContact C-O 3.52Å; S32-T48 WeakPolarHBondContact CA-O 2.91Å
33T57Low49.1Very low85 Ų8590.2 Ų90.252%0.52156%0.558SS.*EExtended strand (participates in β ladder)trans-101119.7168.8-55.90000109T47 T48T33-T47 WeakPolarHBondContact O-CA 3.37Å; T33-T48 PolarHBondContact N-O 2.91Å; T33-T48 PolarHBondContact O-N 3.14Å
34E55.7Low49.7Very low148 Ų14885.9 Ų85.969%0.69253%0.531SS*.EExtended strand (participates in β ladder)trans-107.7140.8174.1-65.4-173.9162.700110.3F46 T47E34-F46 WeakPolarHBondContact CA-O 3.46Å; E34-T47 HydrophobicContact CG-CG2 4.05Å
35G55.2Low50.3Low23 Ų2384.1 Ų84.124%0.23752%0.515CS..EExtended strand (participates in β ladder)trans-151.3155.9170.300000111.7E45 F46G35-E45 CarbonylContact O-C 3.59Å; G35-E45 WeakPolarHBondContact O-CA 3.45Å; G35-F46 VanDerWaalsContact CA-CZ 3.49Å; G35-F46 PolarHBondContact N-O 2.82Å; G35-F46 VanDerWaalsContact O-CD1 3.29Å; G35-F46 WeakPolarHBondContact O-CD1 3.25Å; G35-F46 PolarHBondContact O-N 3.47Å
36A58.5Low51Low70 Ų7078.6 Ų78.658%0.57949%0.488SS*.EExtended strand (participates in β ladder)trans-135.3136.4175.700000109.1V44 E45A36-V44 WeakPolarHBondContact CA-O 3.49Å; A36-E45 HydrophobicContact CB-CG 4.16Å
37T53.6Low51.5Low78 Ų7876.3 Ų76.348%0.47948%0.481SS..EExtended strand (participates in β ladder)trans-128135.6172.5-157.70000109.8T43 V44T37-T43 CarbonylContact O-C 3.49Å; T37-T43 WeakPolarHBondContact O-CA 3.47Å; T37-V44 HydrophobicContact CG2-CB 4.24Å; T37-V44 PolarHBondContact N-O 2.78Å; T37-V44 PolarHBondContact O-N 3.11Å
38T56Low51.9Low88 Ų8872.2 Ų72.254%0.5445%0.454SS..EExtended strand (participates in β ladder)trans-116.6120.6179.1-55.30000109.5T42 T43T38-T42 CarbonylContact C-O 3.6Å; T38-T42 VanDerWaalsContact CA-O 3.27Å; T38-T42 WeakPolarHBondContact CA-O 3.29Å; T38-T43 WeakPolarHBondContact CG2-OG1 3.32Å; T38-T43 PolarHBondContact OG1-OG1 2.71Å
39V47.9Very low52.4Low99 Ų9969.5 Ų69.560%0.644%0.436SS*.EExtended strand (participates in β ladder)trans-128.8122.4178.2-175.10000108.8G41 T42V39-G41 PolarHBondContact O-N 3.14Å; V39-T42 PolarHBondContact N-O 2.96Å; V39-T42 WeakPolarHBondContact O-CA 3.44Å; V39-T42 WeakPolarHBondContact O-CB 3.34Å; V39-T42 PolarHBondContact O-N 3.14Å
40A51.6Low52.6Low107 Ų10770.1 Ų70.188%0.88443%0.432SS*.THydrogen-bonded Turntrans50.445.1174.900000115.3T42A40-T42 PolarHBondContact O-N 3.19Å
41G50.5Low52.6Low39 Ų3969.4 Ų69.440%0.40243%0.425SS..THydrogen-bonded Turntrans78.22.5-178.700000114.7V39 A69V39-G41 PolarHBondContact O-N 3.14Å; G41-A69 PolarHBondContact O-N 2.89Å
42T47.1Very low52.4Low38 Ų3866.8 Ų66.823%0.23341%0.413CS..EExtended strand (participates in β ladder)trans-105121.5172.8-54.20000109.3T38 V39 A40 T66 T67 T68T38-T42 CarbonylContact C-O 3.6Å; T38-T42 VanDerWaalsContact CA-O 3.27Å; T38-T42 WeakPolarHBondContact CA-O 3.29Å; V39-T42 PolarHBondContact N-O 2.96Å; V39-T42 WeakPolarHBondContact O-CA 3.44Å; V39-T42 WeakPolarHBondContact O-CB 3.34Å; V39-T42 PolarHBondContact O-N 3.14Å; A40-T42 PolarHBondContact O-N 3.19Å; T42-T66 HydrophobicContact CG2-CG2 3.64Å; T42-T67 CarbonylContact C-O 3.53Å; T42-T67 WeakPolarHBondContact CA-O 3.3Å; T42-T68 WeakPolarHBondContact CG2-OG1 3.42Å
43T50.4Low52.1Low40 Ų4065.8 Ų65.825%0.24540%0.403CS..EExtended strand (participates in β ladder)trans-102.6125.5173.9-57.20000109.4T37 T38 E45 T66 T67T37-T43 CarbonylContact O-C 3.49Å; T37-T43 WeakPolarHBondContact O-CA 3.47Å; T38-T43 WeakPolarHBondContact CG2-OG1 3.32Å; T38-T43 PolarHBondContact OG1-OG1 2.71Å; T43-E45 HydrophobicContact CG2-CG 4.34Å; T43-T66 CarbonylContact O-C 3.57Å; T43-T67 PolarHBondContact N-O 2.84Å; T43-T67 PolarHBondContact O-N 3.03Å
44V48.7Very low51.8Low38 Ų3867.6 Ų67.623%0.2341%0.408CS..EExtended strand (participates in β ladder)trans-110.3111.4172.9-175.60000107.5A36 T37 L64 K65 T66A36-V44 WeakPolarHBondContact CA-O 3.49Å; T37-V44 HydrophobicContact CG2-CB 4.24Å; T37-V44 PolarHBondContact N-O 2.78Å; T37-V44 PolarHBondContact O-N 3.11Å; V44-L64 HydrophobicContact CG1-CD2 4.27Å; V44-K65 WeakPolarHBondContact CA-O 3.4Å; V44-T66 HydrophobicContact CG2-CG2 4.11Å
45E51.9Low51.4Low76 Ų7663 Ų6336%0.35540%0.401SS..EExtended strand (participates in β ladder)trans-90.8135.7169.9-62.8170.116500107.8G35 A36 T43 L64 K65G35-E45 CarbonylContact O-C 3.59Å; G35-E45 WeakPolarHBondContact O-CA 3.45Å; A36-E45 HydrophobicContact CB-CG 4.16Å; T43-E45 HydrophobicContact CG2-CG 4.34Å; E45-L64 CarbonylContact O-C 3.55Å; E45-L64 WeakPolarHBondContact O-CA 3.48Å; E45-K65 HydrophobicContact CB-CB 4.31Å; E45-K65 PolarHBondContact N-O 2.85Å; E45-K65 PolarHBondContact O-N 3.2Å; E45-K65 WeakPolarHBondContact OE2-CD 3.44Å; E45-K65 WeakPolarHBondContact OE2-CE 3.24Å; E45-K65 IonicContact OE2-NZ 2.75Å; E45-K65 PolarHBondContact OE2-NZ 3.22Å
46F51.3Low50.9Low77 Ų7766 Ų6634%0.33842%0.415SS..EExtended strand (participates in β ladder)trans-127137.4171.363.9-89.1000110.1E34 G35 T63E34-F46 WeakPolarHBondContact CA-O 3.46Å; G35-F46 VanDerWaalsContact CA-CZ 3.49Å; G35-F46 PolarHBondContact N-O 2.82Å; G35-F46 VanDerWaalsContact O-CD1 3.29Å; G35-F46 WeakPolarHBondContact O-CD1 3.25Å; G35-F46 PolarHBondContact O-N 3.47Å; F46-T63 VanDerWaalsContact CA-O 3.32Å; F46-T63 WeakPolarHBondContact CA-O 3.03Å
47T51Low50.5Low49 Ų4965.7 Ų65.730%0.30141%0.405SS..EExtended strand (participates in β ladder)trans-124117.6171.9-54.90000107.1T33 E34 T62 T63T33-T47 WeakPolarHBondContact O-CA 3.37Å; E34-T47 HydrophobicContact CG-CG2 4.05Å; T47-T62 CarbonylContact O-C 3.54Å; T47-T62 WeakPolarHBondContact O-CA 3.31Å; T47-T63 PolarHBondContact N-O 3.43Å; T47-T63 PolarHBondContact O-N 2.92Å
48T52.3Low50.2Low30 Ų3066 Ų6618%0.18441%0.407CS..EExtended strand (participates in β ladder)trans-105.4117.2174-520000108.1S32 T33 N50 T61S32-T48 CarbonylContact C-O 3.52Å; S32-T48 WeakPolarHBondContact CA-O 2.91Å; T33-T48 PolarHBondContact N-O 2.91Å; T33-T48 PolarHBondContact O-N 3.14Å; T48-N50 VanDerWaalsContact CG2-OD1 3.3Å; T48-N50 WeakPolarHBondContact CG2-OD1 3.43Å; T48-T61 WeakPolarHBondContact CA-O 3.05Å
49E53.8Low50Low92 Ų9263.2 Ų63.243%0.4339%0.393SS..EExtended strand (participates in β ladder)trans-105.5117.5174.6-173175.6-170.200108.8S30 T61S30-E49 PolarHBondContact OG-OE1 3.24Å; E49-T61 PolarHBondContact N-O 3.46Å; E49-T61 PolarHBondContact O-N 3.49Å
50N52.8Low50.2Low45 Ų4560.9 Ų60.924%0.24138%0.377CS..EExtended strand (participates in β ladder)trans-102.9115.6176.3-7332.2000107.9N31 T48 D60N31-N50 PolarHBondContact N-O 2.79Å; N31-N50 PolarHBondContact O-N 3.37Å; T48-N50 VanDerWaalsContact CG2-OD1 3.3Å; T48-N50 WeakPolarHBondContact CG2-OD1 3.43Å; N50-D60 PolarHBondContact ND2-OD1 3.08Å; N50-D60 PolarHBondContact OD1-OD1 3.41Å; N50-D60 VanDerWaalsContact OD1-OD1 3.1Å
51T52.8Low50.2Low55 Ų5557.9 Ų57.934%0.33735%0.348SS..EExtended strand (participates in β ladder)trans-94.8108.4170.7-510000108.5V53 V58 A59T51-V53 HydrophobicContact CG2-CG2 4.13Å; T51-V58 PolarHBondContact O-N 3.41Å; T51-A59 PolarHBondContact N-O 3.04Å; T51-A59 VanDerWaalsContact N-O 3.13Å
52T48.6Very low50.3Low49 Ų4957.9 Ų57.930%0.30134%0.34SS..EExtended strand (participates in β ladder)trans-96.9123.6172.4-51.90000108.6T56T52-T56 WeakPolarHBondContact CA-O 3.46Å
53V46.9Very low50.4Low55 Ų5558.3 Ų58.333%0.33334%0.343SS..EExtended strand (participates in β ladder)trans-122.8119170.5-176.90000105.8T51 T56 V58T51-V53 HydrophobicContact CG2-CG2 4.13Å; V53-T56 PolarHBondContact N-O 3.1Å; V53-T56 PolarHBondContact O-N 2.73Å; V53-T56 VanDerWaalsContact O-N 3.11Å; V53-T56 VanDerWaalsContact O-O 3.11Å; V53-T56 PolarHBondContact O-OG1 2.88Å; V53-V58 HydrophobicContact CB-CG2 3.52Å; V53-V58 HydrophobicContact CG2-CB 4.44Å; V53-V58 HydrophobicContact CG2-CG2 3.59Å
54I51.5Low50.1Low124 Ų12459.7 Ų59.764%0.63635%0.348SS*.THydrogen-bonded Turntrans56.558.1173-49.4158.5000111.5T56I54-T56 PolarHBondContact O-N 3.07Å
55G47.9Very low50Low52 Ų5261.4 Ų61.454%0.53635%0.353SS..THydrogen-bonded Turntrans610.3-179.900000116
56T43.2Very low49.8Very low85 Ų8560.2 Ų60.252%0.52135%0.35SS..EExtended strand (participates in β ladder)trans-109.4128178.464.70000109.9T52 V53 I54 V58T52-T56 WeakPolarHBondContact CA-O 3.46Å; V53-T56 PolarHBondContact N-O 3.1Å; V53-T56 PolarHBondContact O-N 2.73Å; V53-T56 VanDerWaalsContact O-N 3.11Å; V53-T56 VanDerWaalsContact O-O 3.11Å; V53-T56 PolarHBondContact O-OG1 2.88Å; I54-T56 PolarHBondContact O-N 3.07Å; T56-V58 PolarHBondContact O-N 2.8Å; T56-V58 VanDerWaalsContact O-N 3.14Å
57T50.3Low49.7Very low63 Ų6358.9 Ų58.939%0.38735%0.349SS..EExtended strand (participates in β ladder)trans-72.4105170.2-54.60000108D60T57-D60 WeakPolarHBondContact CG2-OD1 3.4Å
58V48.8Very low49.6Very low85 Ų8559.5 Ų59.552%0.51535%0.353SS..EExtended strand (participates in β ladder)trans-76.6-36.6-175.3178.40000111T51 V53 T56T51-V58 PolarHBondContact O-N 3.41Å; V53-V58 HydrophobicContact CB-CG2 3.52Å; V53-V58 HydrophobicContact CG2-CB 4.44Å; V53-V58 HydrophobicContact CG2-CG2 3.59Å; T56-V58 PolarHBondContact O-N 2.8Å; T56-V58 VanDerWaalsContact O-N 3.14Å
59A50.8Low49.3Very low29 Ų2961.9 Ų61.924%0.2438%0.375CS..EExtended strand (participates in β ladder)trans-159.2130.417700000110.4T51T51-A59 PolarHBondContact N-O 3.04Å; T51-A59 VanDerWaalsContact N-O 3.13Å
60D52.6Low48.7Very low50 Ų5061.2 Ų61.227%0.26738%0.381SS..EExtended strand (participates in β ladder)trans-95.7114.6161.4-71.1-23000107.8N50 T57 V87N50-D60 PolarHBondContact ND2-OD1 3.08Å; N50-D60 PolarHBondContact OD1-OD1 3.41Å; N50-D60 VanDerWaalsContact OD1-OD1 3.1Å; T57-D60 WeakPolarHBondContact CG2-OD1 3.4Å; D60-V87 VanDerWaalsContact O-O 3.1Å
61T51.5Low48.1Very low44 Ų4466.2 Ų66.227%0.2741%0.413SS..EExtended strand (participates in β ladder)trans-106.3108174.1-58.30000109.1T48 E49T48-T61 WeakPolarHBondContact CA-O 3.05Å; E49-T61 PolarHBondContact N-O 3.46Å; E49-T61 PolarHBondContact O-N 3.49Å
62T52.8Low47.4Very low39 Ų3966.6 Ų66.624%0.23942%0.418CS..EExtended strand (participates in β ladder)trans-98117171.8-51.10000110T47 L64T47-T62 CarbonylContact O-C 3.54Å; T47-T62 WeakPolarHBondContact O-CA 3.31Å; T62-L64 HydrophobicContact CG2-CD1 3.84Å
63T49.3Very low47.3Very low48 Ų4872 Ų7229%0.29445%0.451SS..EExtended strand (participates in β ladder)trans-100.3121.8171.3-59.60000109.1F46 T47F46-T63 VanDerWaalsContact CA-O 3.32Å; F46-T63 WeakPolarHBondContact CA-O 3.03Å; T47-T63 PolarHBondContact N-O 3.43Å; T47-T63 PolarHBondContact O-N 2.92Å
64L42.6Very low47.2Very low68 Ų6873.7 Ų73.736%0.35647%0.471SS..EExtended strand (participates in β ladder)trans-101.9138.9172.1-68.892000110.3V44 E45 T62V44-L64 HydrophobicContact CG1-CD2 4.27Å; E45-L64 CarbonylContact O-C 3.55Å; E45-L64 WeakPolarHBondContact O-CA 3.48Å; T62-L64 HydrophobicContact CG2-CD1 3.84Å
65K47.1Very low46.5Very low75 Ų7569.5 Ų69.533%0.32646%0.458SS..EExtended strand (participates in β ladder)trans-130.1115.4172.3176.6175.1159.3-131.20109V44 E45V44-K65 WeakPolarHBondContact CA-O 3.4Å; E45-K65 HydrophobicContact CB-CB 4.31Å; E45-K65 PolarHBondContact N-O 2.85Å; E45-K65 PolarHBondContact O-N 3.2Å; E45-K65 WeakPolarHBondContact OE2-CD 3.44Å; E45-K65 WeakPolarHBondContact OE2-CE 3.24Å; E45-K65 IonicContact OE2-NZ 2.75Å; E45-K65 PolarHBondContact OE2-NZ 3.22Å
66T47.1Very low46.2Very low50 Ų5073.1 Ų73.131%0.30747%0.473SS..EExtended strand (participates in β ladder)trans-103.7122.6-179.4-54.40000109.9T42 T43 V44 T81T42-T66 HydrophobicContact CG2-CG2 3.64Å; T43-T66 CarbonylContact O-C 3.57Å; V44-T66 HydrophobicContact CG2-CG2 4.11Å; T66-T81 VanDerWaalsContact O-O 3.08Å
67T50.9Low46.2Very low49 Ų4974 Ų7430%0.30148%0.477SS..EExtended strand (participates in β ladder)trans-116.3111.1175.7-53.40000108.7T42 T43T42-T67 CarbonylContact C-O 3.53Å; T42-T67 WeakPolarHBondContact CA-O 3.3Å; T43-T67 PolarHBondContact N-O 2.84Å; T43-T67 PolarHBondContact O-N 3.03Å
68T47.5Very low45.8Very low63 Ų6380.8 Ų80.839%0.38750%0.502SS..EExtended strand (participates in β ladder)trans-101118.4175.5-54.70000109.1T42T42-T68 WeakPolarHBondContact CG2-OG1 3.42Å
69A46Very low45.6Very low79 Ų7980.5 Ų80.565%0.65350%0.503SS*.  trans-87.3109.317000000109.1G41G41-A69 PolarHBondContact O-N 2.89Å
70S40.8Very low45.2Very low78 Ų7883.1 Ų83.155%0.54552%0.52SS..  trans-103.4115.7173.9-57.70000109.6S72S70-S72 PolarHBondContact O-N 2.02Å
71T40.5Very low44.7Very low150 Ų15085 Ų8592%0.9253%0.534SS*.  trans-80.3101.5167.839.70000109.2
72S38.3Very low44.2Very low64 Ų6490.9 Ų90.945%0.44856%0.556SS.*BIsolated β-bridgetrans-89.3140.2168.2171.90000109.7S70 A74 G75S70-S72 PolarHBondContact O-N 2.02Å; S72-A74 PolarHBondContact O-N 3.02Å; S72-A74 PolarHBondContact OG-N 3.06Å; S72-G75 PolarHBondContact O-N 3.02Å
73T46.3Very low43.5Very low161 Ų16192.6 Ų92.699%0.98857%0.566SS**THydrogen-bonded Turntrans-63.23.7175.1-27.30000113.5
74A45.7Very low43.2Very low92 Ų9297.6 Ų97.676%0.7658%0.584SS**THydrogen-bonded Turntrans-10812177.600000114.5S72S72-A74 PolarHBondContact O-N 3.02Å; S72-A74 PolarHBondContact OG-N 3.06Å
75G36.8Very low43.1Very low35 Ų3597.6 Ų97.636%0.36159%0.587SS.*BIsolated β-bridgetrans108.1165.7-178.300000113S72 T77S72-G75 PolarHBondContact O-N 3.02Å; G75-T77 PolarHBondContact O-N 3.02Å
76P41.4Very low42.9Very low129 Ų12998 Ų9884%0.83860%0.595SS**  trans-74.894.9-173.729.7-33.8000111.5K78P76-K78 PolarHBondContact O-N 3.25Å
77T42.9Very low42.7Very low102 Ų10299.6 Ų99.663%0.62661%0.605SS**  trans-87.1104.3168-17.80000109.3G75 S79G75-T77 PolarHBondContact O-N 3.02Å; T77-S79 PolarHBondContact O-N 3.45Å
78K42.7Very low42.2Very low206 Ų206102.5 Ų102.590%0.89662%0.623SS**  trans-74.7103.8169.8-70-178.9-179.9-179.70108.6P76P76-K78 PolarHBondContact O-N 3.25Å
79S44.2Very low41.9Very low79 Ų79102.1 Ų102.155%0.55263%0.626SS**  trans-96.7123.9167.6-171.70000108.9T77T77-S79 PolarHBondContact O-N 3.45Å
80S42.7Very low41.6Very low85 Ų85108.7 Ų108.759%0.59463%0.634SS**  trans-119106178.5179.50000108.7
81T42.1Very low41.8Very low90 Ų90109.4 Ų109.455%0.55264%0.637SS**BIsolated β-bridgetrans-95.7109.7175.2-55.40000109.1T66T66-T81 VanDerWaalsContact O-O 3.08Å
82K39.9Very low41.9Very low167 Ų167111 Ų11173%0.72663%0.634SS**  trans-92.898.8175.1-170.1177.3-177.9178.90109.3
83T38.7Very low42Very low75 Ų75114.3 Ų114.346%0.4665%0.652SS.*  trans-95.3109.6173.6-54.70000109.2T85T83-T85 PolarHBondContact O-N 2.92Å
84K43.5Very low41.6Very low153 Ų153114.7 Ų114.767%0.66564%0.64SS**  trans-87.7104.9171-174.4-180-179.11800108.7
85T40.8Very low41.1Very low68 Ų68116.1 Ų116.142%0.41764%0.641SS.*  trans-100.4109.9170.1-53.30000108.2T83 V87T83-T85 PolarHBondContact O-N 2.92Å; T85-V87 HydrophobicContact CG2-CG2 3.96Å
86T41.8Very low41.2Very low82 Ų82122.5 Ų122.550%0.50366%0.661SS.*  trans-87.4110.2170.4-52.90000108
87V43.3Very low40.9Very low85 Ų85120.6 Ų120.652%0.51566%0.656SS.*  trans-100.2102.7169.1-176.70000107.3D60 T85 A89D60-V87 VanDerWaalsContact O-O 3.1Å; T85-V87 HydrophobicContact CG2-CG2 3.96Å; V87-A89 PolarHBondContact O-N 3.43Å
88T41.1Very low40.5Very low109 Ų109126.6 Ų126.667%0.66967%0.668SS**  trans-82.398169-52.20000107.5R90T88-R90 PolarHBondContact O-N 2.97Å; T88-R90 VanDerWaalsContact O-N 3.14Å
89A41.1Very low40.1Very low56 Ų56122.8 Ų122.846%0.46366%0.662SS.*  trans-69.6105.716400000107.2V87V87-A89 PolarHBondContact O-N 3.43Å
90R39.7Very low39.5Very low216 Ų216124.4 Ų124.482%0.81567%0.668SS**  trans-61.1133163.2-176.8176.2-175.4162.20.2106.1T88 E92T88-R90 PolarHBondContact O-N 2.97Å; T88-R90 VanDerWaalsContact O-N 3.14Å; R90-E92 PolarHBondContact O-N 3.09Å
91P43.5Very low39Very low93 Ų93126.1 Ų126.160%0.60468%0.675SS**  trans-57.5107.9173.222-30.7000107.5T93P91-T93 PolarHBondContact O-N 3.11Å; P91-T93 VanDerWaalsContact O-N 3.07Å
92E42.5Very low38.3Very low184 Ų184124.9 Ų124.986%0.8668%0.681SS**  trans-68.3105163.1-65-147.2144.200105R90 K94R90-E92 PolarHBondContact O-N 3.09Å; E92-K94 PolarHBondContact O-N 3.25Å
93T40.5Very low38.1Very low134 Ų134123.7 Ų123.782%0.82268%0.681SS**  trans-54.290.9156.242.50000106.6P91 P95P91-T93 PolarHBondContact O-N 3.11Å; P91-T93 VanDerWaalsContact O-N 3.07Å; T93-P95 WeakPolarHBondContact O-CD 3.38Å
94K39.8Very low37.5Very low169 Ų169129.4 Ų129.474%0.73570%0.702SS**  trans-52.7123.9169.3-174.3-177.3-177.8-169.90105.8E92 E96E92-K94 PolarHBondContact O-N 3.25Å; K94-E96 PolarHBondContact O-N 3.06Å
95P34.5Very low36.9Very low121 Ų121129.4 Ų129.479%0.78671%0.709SS**  trans-65.696.8166.625.9-28.6000105.8T93 A97T93-P95 WeakPolarHBondContact O-CD 3.38Å; P95-A97 PolarHBondContact O-N 3.41Å; P95-A97 VanDerWaalsContact O-N 3.08Å
96E39.4Very low36.3Very low169 Ų169131.7 Ų131.779%0.7973%0.727SS**  trans-58.8118.4168.3-87-160.4127.100107.2K94 R98K94-E96 PolarHBondContact O-N 3.06Å; E96-R98 PolarHBondContact O-N 3.01Å
97A33.9Very low35.7Very low89 Ų89139 Ų13974%0.73675%0.746SS**  trans-55107.6175.600000108.2P95 T99P95-A97 PolarHBondContact O-N 3.41Å; P95-A97 VanDerWaalsContact O-N 3.08Å; A97-T99 VanDerWaalsContact C-N 3.29Å; A97-T99 PolarHBondContact O-N 3.21Å
98R33.8Very low35.3Very low229 Ų229141.8 Ų141.886%0.86476%0.758SS**  trans-53.797.6164-85.5-172.4173.2-170.6-1.2107.7E96 T100E96-R98 PolarHBondContact O-N 3.01Å; R98-T100 PolarHBondContact O-N 2.93Å; R98-T100 PolarHBondContact O-OG1 2.78Å
99T34.3Very low34.8Very low126 Ų126142.6 Ų142.677%0.77376%0.758SS**  trans-79.282.5160.5-550000105.8A97 T101A97-T99 VanDerWaalsContact C-N 3.29Å; A97-T99 PolarHBondContact O-N 3.21Å; T99-T101 PolarHBondContact O-N 3.47Å
100T32.8Very low34.5Very low112 Ų112145.3 Ų145.369%0.68776%0.763SS**  trans-6796.4174.2-29.10000107.5R98 G102R98-T100 PolarHBondContact O-N 2.93Å; R98-T100 PolarHBondContact O-OG1 2.78Å; T100-G102 PolarHBondContact O-N 2.98Å
101T31.8Very low34.2Very low121 Ų121141 Ų14174%0.74276%0.764SS**  trans-69.991.2157.948.30000106.5T99 I103T99-T101 PolarHBondContact O-N 3.47Å; T101-I103 PolarHBondContact O-N 2.95Å
102G28.3Very low33.8Very low64 Ų64141 Ų14166%0.6676%0.758SS**  trans-61.499.9179.600000110.7T100 Q104T100-G102 PolarHBondContact O-N 2.98Å; G102-Q104 PolarHBondContact O-N 2.58Å
103I34.1Very low33.5Very low142 Ų142138.2 Ų138.273%0.72875%0.748SS**  trans-79.399.2161.3-43.8175.4000105.2T101 L105T101-I103 PolarHBondContact O-N 2.95Å; I103-L105 HydrophobicContact CG2-CD1 4.02Å; I103-L105 HydrophobicContact CG2-CG 4.31Å; I103-L105 PolarHBondContact O-N 3.32Å
104Q27Very low33.4Very low195 Ų195134.7 Ų134.791%0.91173%0.729SS**  trans-6599.9167.7-79-166.652.500108.4G102G102-Q104 PolarHBondContact O-N 2.58Å
105L31.6Very low33.3Very low154 Ų154131.5 Ų131.581%0.80673%0.728SS**  trans-109.2105.7160.8-84.2153.7000107.1I103 R107I103-L105 HydrophobicContact CG2-CD1 4.02Å; I103-L105 HydrophobicContact CG2-CG 4.31Å; I103-L105 PolarHBondContact O-N 3.32Å; L105-R107 PolarHBondContact O-N 2.9Å; L105-R107 VanDerWaalsContact O-N 3.14Å
106S27.4Very low33.4Very low115 Ų115133 Ų13380%0.80473%0.729SS**  trans-62.1110.8178.760.80000110.6N108S106-N108 PolarHBondContact O-N 3.49Å
107R29.5Very low33.3Very low236 Ų236127.8 Ų127.889%0.89172%0.715SS**  trans26.895.5130.5-148.8179-158.6177.54.5115.8L105L105-R107 PolarHBondContact O-N 2.9Å; L105-R107 VanDerWaalsContact O-N 3.14Å
108N34.5Very low33.3Very low143 Ų143131.3 Ų131.377%0.76572%0.721SS**  -152.6104.3127.8-139.568000108.9S106S106-N108 PolarHBondContact O-N 3.49Å
109D30.3Very low33.6Very low127 Ų127124 Ų12468%0.67970%0.699SS**SBendtrans33.499.7154.9-60.4-57.6000118.4
110I35.2Very low33.8Very low112 Ų112121.8 Ų121.857%0.57469%0.688SS**  -176118.6111.5-77.4137.8000107.3I112 W145I110-I112 HydrophobicContact CG2-CD1 4.43Å; I110-I112 HydrophobicContact CG2-CG1 3.77Å; I110-I112 PolarHBondContact O-N 3.24Å; I110-W145 HydrophobicContact CB-CH2 4.46Å; I110-W145 HydrophobicContact CB-CZ3 4.44Å; I110-W145 HydrophobicContact CD1-CH2 3.47Å; I110-W145 VanDerWaalsContact CD1-CH2 3.47Å; I110-W145 HydrophobicContact CD1-CZ3 3.63Å; I110-W145 HydrophobicContact CG1-CH2 3.89Å; I110-W145 HydrophobicContact CG1-CZ3 4.23Å; I110-W145 HydrophobicContact CG2-CH2 3.88Å; I110-W145 HydrophobicContact CG2-CZ3 3.87Å
111P32.7Very low34Very low126 Ų126125 Ų12582%0.81869%0.693SS**  trans-89.997.2172.133.5-24.6000108.3D113P111-D113 PolarHBondContact O-N 2.92Å
112I35.2Very low34.3Very low94 Ų94124.3 Ų124.348%0.48268%0.684SS.*  trans-89.8104.8159.2-57.1-173.8000106I110 C114 W145I110-I112 HydrophobicContact CG2-CD1 4.43Å; I110-I112 HydrophobicContact CG2-CG1 3.77Å; I110-I112 PolarHBondContact O-N 3.24Å; I112-C114 VanDerWaalsContact C-N 3.34Å; I112-C114 PolarHBondContact O-N 3.17Å; I112-C114 PolarHBondContact O-SG 3.34Å; I112-C114 VanDerWaalsContact O-SG 3.4Å; I112-W145 HydrophobicContact CD1-CZ3 4.16Å
113D37Very low34.8Very low124 Ų124129.9 Ų129.966%0.66369%0.693SS**  trans-55.590.6178.5-149-14.1000110.2P111 S115P111-D113 PolarHBondContact O-N 2.92Å; D113-S115 PolarHBondContact O-N 3.3Å; D113-S115 VanDerWaalsContact OD1-CB 3.28Å; D113-S115 WeakPolarHBondContact OD1-CB 3.36Å; D113-S115 PolarHBondContact OD1-OG 3Å
114C38.2Very low34.9Very low60 Ų60128.4 Ų128.441%0.40569%0.687SS.*  trans-87.618.4172.9-64.70000111.3I112 D116I112-C114 VanDerWaalsContact C-N 3.34Å; I112-C114 PolarHBondContact O-N 3.17Å; I112-C114 PolarHBondContact O-SG 3.34Å; I112-C114 VanDerWaalsContact O-SG 3.4Å; C114-D116 VanDerWaalsContact C-N 3.34Å
115S37.9Very low35.3Very low103 Ų103125.1 Ų125.172%0.7268%0.68SS**THydrogen-bonded Turntrans-86-3-174.9-460000113.8D113D113-S115 PolarHBondContact O-N 3.3Å; D113-S115 VanDerWaalsContact OD1-CB 3.28Å; D113-S115 WeakPolarHBondContact OD1-CB 3.36Å; D113-S115 PolarHBondContact OD1-OG 3Å
116D35.7Very low35.3Very low153 Ų153128.6 Ų128.682%0.81869%0.689SS**THydrogen-bonded Turntrans-119.823.5-174.1-107.8-31000113.8C114 D118C114-D116 VanDerWaalsContact C-N 3.34Å; D116-D118 PolarHBondContact O-N 3.48Å
117A38.1Very low35.5Very low58 Ų58125 Ų12548%0.47967%0.67SS.*  trans-98.481.9171.600000109.8L119A117-L119 HydrophobicContact CB-CD1 3.66Å; A117-L119 HydrophobicContact CB-CG 4.2Å; A117-L119 PolarHBondContact O-N 3.48Å
118D34.4Very low35.7Very low164 Ų164120.2 Ų120.288%0.87767%0.673SS**  trans-64.373.3170.7-152.50.1000109.4D116D116-D118 PolarHBondContact O-N 3.48Å
119L39.1Very low35.8Very low75 Ų75116.8 Ų116.839%0.39366%0.664SS.*  trans-100.792.9-173.6-83.8157.4000109.2F16 A117 F121F16-L119 HydrophobicContact CE1-CD2 4.19Å; F16-L119 HydrophobicContact CZ-CD2 4.26Å; A117-L119 HydrophobicContact CB-CD1 3.66Å; A117-L119 HydrophobicContact CB-CG 4.2Å; A117-L119 PolarHBondContact O-N 3.48Å; L119-F121 PolarHBondContact O-N 2.93Å
120C39.1Very low36.4Very low80 Ų80115.4 Ų115.454%0.54167%0.665SS.*  trans30.961.3162.6-67.10000115.9C19 N122C19-C120 HydrophobicContact CB-CB 4.39Å; C19-C120 WeakPolarHBondContact CB-SG 3.23Å; C19-C120 WeakPolarHBondContact SG-CB 3.41Å; C19-C120 CovalentContact SG-SG 2.02Å; C19-C120 PolarHBondContact SG-SG 2.96Å; C120-N122 PolarHBondContact O-N 3.45Å
121F37.6Very low36.6Very low180 Ų180116 Ų11679%0.78967%0.669SS**  trans-72.480.6164.1-82.2-89000108.9L119 E123L119-F121 PolarHBondContact O-N 2.93Å; F121-E123 PolarHBondContact O-N 3.02Å
122N36.8Very low37.1Very low105 Ų105114.5 Ų114.556%0.56166%0.657SS**  trans-8797.8159-119.5-35.9000106.9C120 N124C120-N122 PolarHBondContact O-N 3.45Å; N122-N124 PolarHBondContact O-N 3.26Å
123E39.9Very low37.7Very low181 Ų181114.6 Ų114.685%0.84666%0.659SS**THydrogen-bonded Turntrans-70.925.8-169-143.5-178.1136.700114.4F121F121-E123 PolarHBondContact O-N 3.02Å
124N35.3Very low38.3Very low112 Ų112114.8 Ų114.860%0.59965%0.654SS**THydrogen-bonded Turntrans-119.712.6-171.1-104.30.8000116E26 N122E26-N124 PolarHBondContact OE1-ND2 3.41Å; N122-N124 PolarHBondContact O-N 3.26Å
125V35.9Very low38.9Very low126 Ų126117.1 Ų117.176%0.76466%0.662SS**  trans-128.980.7169.1-169.80000110.3G127V125-G127 PolarHBondContact O-N 3.09Å
126F32.3Very low39.8Very low226 Ų226117 Ų11799%0.99165%0.653SS**  trans-60.684.8161.5-146.1-93.2000108.4
127G30.3Very low40.6Very low41 Ų41113.1 Ų113.142%0.42364%0.638SS.*SBendtrans178.579.2-174.700000115.3V125 A129V125-G127 PolarHBondContact O-N 3.09Å; G127-A129 PolarHBondContact O-N 3.32Å
128S35.3Very low41.1Very low135 Ų135112.4 Ų112.494%0.94463%0.629SS**SBendtrans61.617146.8-61.40000120.8
129A36.6Very low42.1Very low70 Ų70107.8 Ų107.858%0.57961%0.607SS**  trans-118.9-6.5-178.800000116.1G127G127-A129 PolarHBondContact O-N 3.32Å
130S41.1Very low43Very low99 Ų99107.1 Ų107.169%0.69260%0.601SS**Hα-helixtrans-92-10.8-16661.40000116.6
131N40.8Very low43.8Very low123 Ų123108 Ų10866%0.65860%0.599SS**Hα-helixtrans-89.1-22.5179.3-72.7-53.3000113.6L135N131-L135 WeakPolarHBondContact O-CB 3.22Å; N131-L135 WeakPolarHBondContact O-CD1 3.28Å; N131-L135 WeakPolarHBondContact O-CG 3.38Å; N131-L135 PolarHBondContact O-N 3.26Å
132T43.1Very low44.7Very low95 Ų95105.7 Ų105.758%0.58360%0.595SS**Hα-helixtrans-76.4-38.5-171.3-1.50000112.8L136T132-L136 WeakPolarHBondContact O-CB 3.4Å; T132-L136 PolarHBondContact O-N 3.31Å
133N46.3Very low45.8Very low97 Ų97106.4 Ų106.452%0.51960%0.597SS.*Hα-helixtrans-76.4-32.6179.5-78.5-42.2000113L136 S137N133-L136 PolarHBondContact O-N 3.4Å; N133-S137 PolarHBondContact O-N 3.11Å; N133-S137 VanDerWaalsContact O-N 3.09Å
134F49.9Very low46.5Very low127 Ų127104.6 Ų104.656%0.55759%0.587SS**Hα-helixtrans-67.9-42.3175.8-167.2-98.7000111.5C138F134-C138 PolarHBondContact O-N 3.46Å
135L51.7Low47.1Very low109 Ų109109.5 Ų109.557%0.57160%0.597SS**Hα-helixtrans-64.1-39.2171.7-76.2165.2000111.7N131 S137 T139N131-L135 WeakPolarHBondContact O-CB 3.22Å; N131-L135 WeakPolarHBondContact O-CD1 3.28Å; N131-L135 WeakPolarHBondContact O-CG 3.38Å; N131-L135 PolarHBondContact O-N 3.26Å; L135-S137 PolarHBondContact O-N 3.27Å; L135-T139 VanDerWaalsContact O-CB 3.23Å; L135-T139 WeakPolarHBondContact O-CB 3.3Å; L135-T139 PolarHBondContact O-N 3.25Å; L135-T139 PolarHBondContact O-OG1 3.36Å
136L56.1Low47.7Very low100 Ų100108.7 Ų108.752%0.52459%0.589SS.*Hα-helixtrans-65.5-40.3-179-144.574.4000112.6T132 N133 F140T132-L136 WeakPolarHBondContact O-CB 3.4Å; T132-L136 PolarHBondContact O-N 3.31Å; N133-L136 PolarHBondContact O-N 3.4Å; L136-F140 WeakPolarHBondContact O-CB 3.29Å; L136-F140 PolarHBondContact O-N 3.16Å
137S52.6Low48.5Very low73 Ų73102.5 Ų102.551%0.5157%0.568SS.*Hα-helixtrans-68.9-44.4178.8-1700000112.4N133 L135 F140 L141N133-S137 PolarHBondContact O-N 3.11Å; N133-S137 VanDerWaalsContact O-N 3.09Å; L135-S137 PolarHBondContact O-N 3.27Å; S137-F140 PolarHBondContact O-N 3.14Å; S137-L141 PolarHBondContact O-N 3.45Å
138C48.4Very low49.5Very low43 Ų43105.9 Ų105.929%0.29158%0.576SS.*Hα-helixtrans-67.5-35.7175.7-860000112.6F134 L142F134-C138 PolarHBondContact O-N 3.46Å; C138-L142 WeakPolarHBondContact O-CG 3.49Å; C138-L142 PolarHBondContact O-N 3.38Å
139T56.9Low50.4Low66 Ų66104.2 Ų104.241%0.40555%0.554SS.*Hα-helixtrans-71.6-33.8177.7-48.30000111.3L135 L142 I143L135-T139 VanDerWaalsContact O-CB 3.23Å; L135-T139 WeakPolarHBondContact O-CB 3.3Å; L135-T139 PolarHBondContact O-N 3.25Å; L135-T139 PolarHBondContact O-OG1 3.36Å; T139-L142 PolarHBondContact O-N 2.86Å; T139-I143 HydrophobicContact CG2-CD1 3.89Å; T139-I143 HydrophobicContact CG2-CG1 4.47Å; T139-I143 VanDerWaalsContact O-CG1 3.29Å; T139-I143 WeakPolarHBondContact O-CG1 3.43Å; T139-I143 PolarHBondContact O-N 3.5Å; T139-I143 VanDerWaalsContact O-N 3.09Å
140F57.3Low51.2Low61 Ų61106.4 Ų106.427%0.26855%0.553SS.*Hα-helixtrans-65.7-38.9175.5-112.8-92.9000112.9N8 L136 S137 L142 I143 F144N8-F140 HydrophobicContact CB-CE1 4.16Å; N8-F140 VanDerWaalsContact OD1-CE1 3.29Å; N8-F140 WeakPolarHBondContact OD1-CE1 3.49Å; N8-F140 VanDerWaalsContact OD1-CZ 3.22Å; N8-F140 WeakPolarHBondContact OD1-CZ 3.29Å; L136-F140 WeakPolarHBondContact O-CB 3.29Å; L136-F140 PolarHBondContact O-N 3.16Å; S137-F140 PolarHBondContact O-N 3.14Å; F140-L142 VanDerWaalsContact C-N 3.33Å; F140-I143 PolarHBondContact O-N 3.49Å; F140-F144 HydrophobicContact CD1-CD2 4.01Å; F140-F144 AromaticContact CD1-CE2 3.89Å; F140-F144 HydrophobicContact CD1-CE2 3.89Å; F140-F144 HydrophobicContact CE1-CD2 4.36Å; F140-F144 AromaticContact CE1-CE2 3.77Å; F140-F144 HydrophobicContact CE1-CE2 3.77Å; F140-F144 PolarHBondContact O-N 3.41Å
141L55.6Low51.9Low98 Ų98106.9 Ų106.951%0.51354%0.543SS..Hα-helixtrans-66.5-33.4174.9-87.2161.2000112.6S137S137-L141 PolarHBondContact O-N 3.45Å
142L57.2Low52.7Low132 Ų132105.7 Ų105.769%0.69154%0.535SS*.Hα-helixtrans-77.6-21.9176.8-73.1171.6000114.2C138 T139 F140C138-L142 WeakPolarHBondContact O-CG 3.49Å; C138-L142 PolarHBondContact O-N 3.38Å; T139-L142 PolarHBondContact O-N 2.86Å; F140-L142 VanDerWaalsContact C-N 3.33Å
143I59.6Low53.4Low120 Ų120106.5 Ų106.562%0.61553%0.531SS*.Hα-helixtrans-84.6-25.3178.4-71.3166.4000111.9T139 F140T139-I143 HydrophobicContact CG2-CD1 3.89Å; T139-I143 HydrophobicContact CG2-CG1 4.47Å; T139-I143 VanDerWaalsContact O-CG1 3.29Å; T139-I143 WeakPolarHBondContact O-CG1 3.43Å; T139-I143 PolarHBondContact O-N 3.5Å; T139-I143 VanDerWaalsContact O-N 3.09Å; F140-I143 PolarHBondContact O-N 3.49Å
144F54.1Low54Low143 Ų143107.3 Ų107.363%0.62753%0.532SS*.  trans-1002.7-176.8-86.8-84.1000114.7F140F140-F144 HydrophobicContact CD1-CD2 4.01Å; F140-F144 AromaticContact CD1-CE2 3.89Å; F140-F144 HydrophobicContact CD1-CE2 3.89Å; F140-F144 HydrophobicContact CE1-CD2 4.36Å; F140-F144 AromaticContact CE1-CE2 3.77Å; F140-F144 HydrophobicContact CE1-CE2 3.77Å; F140-F144 PolarHBondContact O-N 3.41Å
145W49.1Very low54.4Low216 Ų216105.5 Ų105.582%0.81853%0.53SS*.  trans-105.70172.5-16012.9000111.1I110 I112I110-W145 HydrophobicContact CB-CH2 4.46Å; I110-W145 HydrophobicContact CB-CZ3 4.44Å; I110-W145 HydrophobicContact CD1-CH2 3.47Å; I110-W145 VanDerWaalsContact CD1-CH2 3.47Å; I110-W145 HydrophobicContact CD1-CZ3 3.63Å; I110-W145 HydrophobicContact CG1-CH2 3.89Å; I110-W145 HydrophobicContact CG1-CZ3 4.23Å; I110-W145 HydrophobicContact CG2-CH2 3.88Å; I110-W145 HydrophobicContact CG2-CZ3 3.87Å; I112-W145 HydrophobicContact CD1-CZ3 4.16Å

Retrieved 145 of 145 residues in 41.3 ms (Link to these results)