A0A077ZDM7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZDM7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 171 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
1M42.9Very low42.7Very low246 Ų246156.6 Ų156.6100%1.21274%0.742SS**  0105.60-71.3-174.4172.500109.8
2G40.8Very low42.6Very low78 Ų78147.6 Ų147.680%0.80472%0.722SS**  trans-87.3116-175.600000112.9K4G2-K4 PolarHBondContact O-N 3.13Å
3R42.1Very low42.7Very low214 Ų214147.2 Ų147.281%0.80871%0.714SS**  trans-67.7111.1173.7-71.1-179.9179.3165.8-0.2109.6Y5R3-Y5 HydrophobicContact CB-CE2 4.27Å; R3-Y5 WeakPolarHBondContact O-CD2 3.28Å; R3-Y5 PolarHBondContact O-N 3.44Å
4K47.6Very low43.1Very low184 Ų184148.8 Ų148.880%0.872%0.716SS**  trans-75.4103.6171.3-77179-178.6169.50109G2 V6G2-K4 PolarHBondContact O-N 3.13Å; K4-V6 PolarHBondContact O-N 3.45Å; K4-V6 VanDerWaalsContact O-N 3.12Å
5Y44.9Very low43.7Very low196 Ų196145.7 Ų145.777%0.76970%0.7SS**  trans-70.7103.6173.2-66.4-88.6000109.9R3 C7R3-Y5 HydrophobicContact CB-CE2 4.27Å; R3-Y5 WeakPolarHBondContact O-CD2 3.28Å; R3-Y5 PolarHBondContact O-N 3.44Å; Y5-C7 PolarHBondContact O-N 3.01Å
6V45.8Very low44.3Very low102 Ų102140.4 Ų140.462%0.61868%0.681SS**  trans-83.2103.7169.4-178.20000107.5K4 R8K4-V6 PolarHBondContact O-N 3.45Å; K4-V6 VanDerWaalsContact O-N 3.12Å; V6-R8 PolarHBondContact O-N 2.84Å
7C36.5Very low45Very low86 Ų86138.1 Ų138.158%0.58168%0.683SS**  trans-68103.4172.4-69.50000108.9Y5Y5-C7 PolarHBondContact O-N 3.01Å
8R33.4Very low45.5Very low188 Ų188133.8 Ų133.871%0.70966%0.66SS**BIsolated β-bridgetrans-82.2133168.9-71.7-177.5178.7175.8-0.8108.3V6V6-R8 PolarHBondContact O-N 2.84Å
9T40.7Very low45.7Very low43 Ų43135.8 Ų135.826%0.26466%0.664SS.*  trans-64.8156.9166.459.90000109.2M11 G12 F13 Q15T9-M11 PolarHBondContact O-N 2.89Å; T9-G12 PolarHBondContact O-N 2.93Å; T9-F13 PolarHBondContact N-O 2.82Å; T9-F13 PolarHBondContact OG1-N 3.43Å; T9-F13 PolarHBondContact OG1-O 3.01Å; T9-Q15 HydrophobicContact CG2-CB 4.4Å; T9-Q15 HydrophobicContact CG2-CG 3.63Å
10R47.7Very low45.9Very low261 Ų261133.1 Ų133.199%0.98567%0.673SS**THydrogen-bonded Turntrans-53.2-17.2179-79.4-172.8177-176.8-0.5114.1
11M47.8Very low45.9Very low125 Ų125130.6 Ų130.662%0.61666%0.66SS**THydrogen-bonded Turntrans-978.3179.1-62-60.9-68.500113.6T9 F13T9-M11 PolarHBondContact O-N 2.89Å; M11-F13 HydrophobicContact CB-CD2 3.71Å; M11-F13 HydrophobicContact CB-CE2 3.94Å; M11-F13 PolarHBondContact O-N 3.08Å
12G40.5Very low46.1Very low48 Ų48129.3 Ų129.350%0.49565%0.648SS.*  trans79.1-6.6177.100000115.4T9 K14T9-G12 PolarHBondContact O-N 2.93Å; G12-K14 PolarHBondContact O-N 2.84Å
13F43.9Very low46.7Very low142 Ų142132.6 Ų132.662%0.62364%0.637SS**  trans-67.8128.8175.7-64.4-77.5000110.6T9 M11 Q15T9-F13 PolarHBondContact N-O 2.82Å; T9-F13 PolarHBondContact OG1-N 3.43Å; T9-F13 PolarHBondContact OG1-O 3.01Å; M11-F13 HydrophobicContact CB-CD2 3.71Å; M11-F13 HydrophobicContact CB-CE2 3.94Å; M11-F13 PolarHBondContact O-N 3.08Å; F13-Q15 PolarHBondContact O-N 3.12Å
14K48.3Very low47.5Very low170 Ų170125.6 Ų125.674%0.73962%0.621SS**BIsolated β-bridgetrans-59.7110168.4-73.4-178.3-179.3175.10107G12G12-K14 PolarHBondContact O-N 2.84Å
15Q52.7Low48.1Very low102 Ų102122.9 Ų122.948%0.47762%0.619SS.*  trans-61.1130171.4-121.7170.86.200107.3T9 F13 S17T9-Q15 HydrophobicContact CG2-CB 4.4Å; T9-Q15 HydrophobicContact CG2-CG 3.63Å; F13-Q15 PolarHBondContact O-N 3.12Å; Q15-S17 PolarHBondContact O-N 3Å
16P53.8Low48.9Very low61 Ų61120.3 Ų120.340%0.39661%0.612SS.*  trans-57.1121173.621.1-29000107.5F18 Y31P16-F18 HydrophobicContact CG-CE2 4.01Å; P16-F18 HydrophobicContact CG-CZ 3.99Å; P16-F18 VanDerWaalsContact O-CD2 3.25Å; P16-F18 WeakPolarHBondContact O-CD2 3.47Å; P16-F18 PolarHBondContact O-N 2.85Å; P16-Y31 HydrophobicContact CG-CD1 4.37Å; P16-Y31 HydrophobicContact CG-CE1 4.25Å
17S55.4Low49.4Very low102 Ų102119.6 Ų119.671%0.71360%0.602SS**  trans-71.4101.2179.4560000107.9Q15 K19Q15-S17 PolarHBondContact O-N 3Å; S17-K19 PolarHBondContact O-N 2.96Å
18F54.7Low50.3Low61 Ų61120.2 Ų120.227%0.26859%0.592SS.*  trans-71.968.4170.5-60.5-80.4000109.5P16 G20 R28 Y31P16-F18 HydrophobicContact CG-CE2 4.01Å; P16-F18 HydrophobicContact CG-CZ 3.99Å; P16-F18 VanDerWaalsContact O-CD2 3.25Å; P16-F18 WeakPolarHBondContact O-CD2 3.47Å; P16-F18 PolarHBondContact O-N 2.85Å; F18-G20 PolarHBondContact O-N 2.7Å; F18-R28 HydrophobicContact CD2-CG 4.01Å; F18-R28 HydrophobicContact CE2-CB 4.19Å; F18-R28 HydrophobicContact CE2-CG 3.88Å; F18-R28 HydrophobicContact CG-CG 4.41Å; F18-R28 HydrophobicContact CZ-CB 4.45Å; F18-R28 HydrophobicContact CZ-CG 4.16Å; F18-Y31 HydrophobicContact CE1-CD1 4.44Å; F18-Y31 HydrophobicContact CZ-CD1 4.05Å; F18-Y31 HydrophobicContact CZ-CG 4.43Å
19K48.2Very low51.4Low172 Ų172114.4 Ų114.475%0.74858%0.58SS**THydrogen-bonded Turntrans-69.1126.5169.3-88.1-171.7171.2-1700108.5S17 I21S17-K19 PolarHBondContact O-N 2.96Å; K19-I21 VanDerWaalsContact C-N 3.34Å; K19-I21 PolarHBondContact O-N 2.93Å
20G51.2Low52.4Low81 Ų81117.2 Ų117.284%0.83559%0.59SS**THydrogen-bonded Turntrans81.40.5169.700000116.6F18F18-G20 PolarHBondContact O-N 2.7Å
21I44.3Very low53.1Low80 Ų80111.4 Ų111.441%0.4157%0.57SS.*  trans-115.899.5-177.1-58.3179.8000109.5K19 R23 R28K19-I21 VanDerWaalsContact C-N 3.34Å; K19-I21 PolarHBondContact O-N 2.93Å; I21-R23 HydrophobicContact CG2-CB 3.79Å; I21-R23 VanDerWaalsContact CG2-CD 3.41Å; I21-R23 HydrophobicContact CG2-CG 3.27Å; I21-R23 PolarHBondContact O-N 3.06Å; I21-R28 PolarHBondContact O-NH2 2.71Å; I21-R28 VanDerWaalsContact O-NH2 3.16Å
22F48.6Very low53.5Low219 Ų219107.1 Ų107.196%0.96155%0.552SS**  trans-67.351.9167.5-82.1-88.5000111.1
23R51.6Low54.3Low147 Ų147110.1 Ų110.156%0.55556%0.555SS**  trans-84139.6172.8-82.2179.2-172.3-1575110I21 Q27I21-R23 HydrophobicContact CG2-CB 3.79Å; I21-R23 VanDerWaalsContact CG2-CD 3.41Å; I21-R23 HydrophobicContact CG2-CG 3.27Å; I21-R23 PolarHBondContact O-N 3.06Å; R23-Q27 HydrophobicContact CB-CB 4.31Å; R23-Q27 VanDerWaalsContact CB-OE1 3.31Å
24S60.5Low54.9Low68 Ų68105.9 Ų105.948%0.47655%0.545SS..  trans-56150.7-179.567.70000111.2K26 Q27 R28S24-K26 PolarHBondContact O-N 2.69Å; S24-Q27 PolarHBondContact O-N 2.99Å; S24-R28 PolarHBondContact O-N 3.1Å
25T60.6Low55.1Low126 Ų126100 Ų10077%0.77353%0.529SS*.Hα-helixtrans-50.8-32.4-179.5-36.40000112.4R28 S29T25-R28 PolarHBondContact O-N 2.69Å; T25-S29 PolarHBondContact O-N 2.66Å; T25-S29 VanDerWaalsContact O-N 3.15Å
26K59.8Low55Low143 Ų14398.9 Ų98.962%0.62253%0.525SS*.Hα-helixtrans-62.8-48.5176.8-172.1179177.5-175.80112.7S24 R28 S29 E30S24-K26 PolarHBondContact O-N 2.69Å; K26-R28 VanDerWaalsContact C-N 3.3Å; K26-R28 PolarHBondContact O-N 2.62Å; K26-S29 PolarHBondContact O-N 2.82Å; K26-S29 PolarHBondContact O-OG 2.69Å; K26-E30 VanDerWaalsContact CE-OE1 3.26Å; K26-E30 WeakPolarHBondContact CE-OE1 3.1Å; K26-E30 WeakPolarHBondContact O-CG 3.35Å; K26-E30 PolarHBondContact O-N 2.59Å
27Q58Low54.9Low86 Ų8699.8 Ų99.840%0.40253%0.53SS..Hα-helixtrans-67.2-33.2-179.6-72.7-179.9-16.700112.3R23 S24 E30 Y31R23-Q27 HydrophobicContact CB-CB 4.31Å; R23-Q27 VanDerWaalsContact CB-OE1 3.31Å; S24-Q27 PolarHBondContact O-N 2.99Å; Q27-E30 PolarHBondContact O-N 3.09Å; Q27-Y31 WeakPolarHBondContact O-CB 3.48Å; Q27-Y31 PolarHBondContact O-N 2.63Å
28R55.5Low54.8Low100 Ų10098.6 Ų98.638%0.37752%0.518SS..Hα-helixtrans-66.1-38.6174.6-68.9-175179.9175.70.4112F18 I21 S24 T25 K26 S32F18-R28 HydrophobicContact CD2-CG 4.01Å; F18-R28 HydrophobicContact CE2-CB 4.19Å; F18-R28 HydrophobicContact CE2-CG 3.88Å; F18-R28 HydrophobicContact CG-CG 4.41Å; F18-R28 HydrophobicContact CZ-CB 4.45Å; F18-R28 HydrophobicContact CZ-CG 4.16Å; I21-R28 PolarHBondContact O-NH2 2.71Å; I21-R28 VanDerWaalsContact O-NH2 3.16Å; S24-R28 PolarHBondContact O-N 3.1Å; T25-R28 PolarHBondContact O-N 2.69Å; K26-R28 VanDerWaalsContact C-N 3.3Å; K26-R28 PolarHBondContact O-N 2.62Å; R28-S32 WeakPolarHBondContact O-CB 3.47Å; R28-S32 PolarHBondContact O-N 3.23Å; R28-S32 PolarHBondContact O-OG 3.38Å
29S56.1Low54.4Low65 Ų6598.9 Ų98.946%0.45553%0.532SS..Hα-helixtrans-69-41.6176.580.70000111.2T25 K26 S32 M33T25-S29 PolarHBondContact O-N 2.66Å; T25-S29 VanDerWaalsContact O-N 3.15Å; K26-S29 PolarHBondContact O-N 2.82Å; K26-S29 PolarHBondContact O-OG 2.69Å; S29-S32 PolarHBondContact O-N 3.29Å; S29-M33 WeakPolarHBondContact O-CB 3.5Å; S29-M33 WeakPolarHBondContact O-CG 3.5Å; S29-M33 PolarHBondContact O-N 2.74Å
30E61.2Low54.4Low102 Ų10298.1 Ų98.148%0.47753%0.529SS..Hα-helixtrans-59.6-48175.4-73.4170.6-17600111.6K26 Q27 S32 M33 A34K26-E30 VanDerWaalsContact CE-OE1 3.26Å; K26-E30 WeakPolarHBondContact CE-OE1 3.1Å; K26-E30 WeakPolarHBondContact O-CG 3.35Å; K26-E30 PolarHBondContact O-N 2.59Å; Q27-E30 PolarHBondContact O-N 3.09Å; E30-S32 PolarHBondContact O-N 3.26Å; E30-M33 PolarHBondContact O-N 2.75Å; E30-A34 WeakPolarHBondContact O-CB 3.44Å; E30-A34 PolarHBondContact O-N 2.6Å
31Y61.5Low54.1Low139 Ų13997 Ų9755%0.54552%0.517SS..Hα-helixtrans-62.6-43.1177-171.5-89000112.2P16 F18 Q27 M33 A34 A35P16-Y31 HydrophobicContact CG-CD1 4.37Å; P16-Y31 HydrophobicContact CG-CE1 4.25Å; F18-Y31 HydrophobicContact CE1-CD1 4.44Å; F18-Y31 HydrophobicContact CZ-CD1 4.05Å; F18-Y31 HydrophobicContact CZ-CG 4.43Å; Q27-Y31 WeakPolarHBondContact O-CB 3.48Å; Q27-Y31 PolarHBondContact O-N 2.63Å; Y31-M33 VanDerWaalsContact C-N 3.3Å; Y31-M33 PolarHBondContact O-N 3.11Å; Y31-A34 PolarHBondContact O-N 3.14Å; Y31-A35 WeakPolarHBondContact O-CB 3.24Å; Y31-A35 PolarHBondContact O-N 3.46Å
32S56.1Low53.8Low36 Ų36100.4 Ų100.425%0.25253%0.531SS..Hα-helixtrans-62.2-41178.1-58.10000111.2R28 S29 E30 I36R28-S32 WeakPolarHBondContact O-CB 3.47Å; R28-S32 PolarHBondContact O-N 3.23Å; R28-S32 PolarHBondContact O-OG 3.38Å; S29-S32 PolarHBondContact O-N 3.29Å; E30-S32 PolarHBondContact O-N 3.26Å; S32-I36 WeakPolarHBondContact O-CB 2.91Å; S32-I36 WeakPolarHBondContact O-CD1 3.22Å; S32-I36 WeakPolarHBondContact O-CG1 3.45Å; S32-I36 PolarHBondContact O-N 3.44Å
33M58.9Low53.2Low111 Ų11198.5 Ų98.555%0.54752%0.523SS..Hα-helixtrans-67.3-42175.8-74.1-58.8-57.600112.2S29 E30 Y31 I36 V37S29-M33 WeakPolarHBondContact O-CB 3.5Å; S29-M33 WeakPolarHBondContact O-CG 3.5Å; S29-M33 PolarHBondContact O-N 2.74Å; E30-M33 PolarHBondContact O-N 2.75Å; Y31-M33 VanDerWaalsContact C-N 3.3Å; Y31-M33 PolarHBondContact O-N 3.11Å; M33-I36 PolarHBondContact O-N 3.39Å; M33-V37 WeakPolarHBondContact O-CB 3.01Å; M33-V37 VanDerWaalsContact O-CG2 3.24Å; M33-V37 WeakPolarHBondContact O-CG2 3.49Å; M33-V37 PolarHBondContact O-N 3.1Å
34A55.4Low52.7Low52 Ų5298.8 Ų98.843%0.4353%0.528SS..Hα-helixtrans-60.4-48.1175.700000111.1E30 Y31 I36 V37 T38E30-A34 WeakPolarHBondContact O-CB 3.44Å; E30-A34 PolarHBondContact O-N 2.6Å; Y31-A34 PolarHBondContact O-N 3.14Å; A34-I36 VanDerWaalsContact C-N 3.32Å; A34-I36 PolarHBondContact O-N 3.25Å; A34-V37 PolarHBondContact O-N 3.27Å; A34-V37 VanDerWaalsContact O-N 3.11Å; A34-T38 PolarHBondContact O-N 3.15Å; A34-T38 PolarHBondContact O-OG1 2.96Å; A34-T38 VanDerWaalsContact O-OG1 3.08Å
35A52.3Low51.5Low47 Ų47103.2 Ų103.239%0.38855%0.546SS..Hα-helixtrans-59.7-41.6177.500000112.3Y31 T38 A39Y31-A35 WeakPolarHBondContact O-CB 3.24Å; Y31-A35 PolarHBondContact O-N 3.46Å; A35-T38 PolarHBondContact O-N 3.34Å; A35-A39 VanDerWaalsContact O-CB 3.27Å; A35-A39 WeakPolarHBondContact O-CB 3.47Å; A35-A39 PolarHBondContact O-N 2.8Å
36I50.5Low50.4Low79 Ų79102.2 Ų102.241%0.40554%0.541SS..Hα-helixtrans-62.5-45.4174.7-71.3167.5000110.7S32 M33 A34 A39 F40S32-I36 WeakPolarHBondContact O-CB 2.91Å; S32-I36 WeakPolarHBondContact O-CD1 3.22Å; S32-I36 WeakPolarHBondContact O-CG1 3.45Å; S32-I36 PolarHBondContact O-N 3.44Å; M33-I36 PolarHBondContact O-N 3.39Å; A34-I36 VanDerWaalsContact C-N 3.32Å; A34-I36 PolarHBondContact O-N 3.25Å; I36-A39 PolarHBondContact O-N 3.23Å; I36-F40 HydrophobicContact CG2-CD2 3.52Å; I36-F40 HydrophobicContact CG2-CE2 3.39Å; I36-F40 WeakPolarHBondContact O-CB 3.27Å; I36-F40 WeakPolarHBondContact O-CD2 3.45Å; I36-F40 WeakPolarHBondContact O-CG 3.33Å; I36-F40 PolarHBondContact O-N 3.35Å
37V52.9Low49.5Very low80 Ų80103.5 Ų103.549%0.48555%0.554SS.*Hα-helixtrans-65.2-41.7179.6170.80000111.5M33 A34 F40 G41M33-V37 WeakPolarHBondContact O-CB 3.01Å; M33-V37 VanDerWaalsContact O-CG2 3.24Å; M33-V37 WeakPolarHBondContact O-CG2 3.49Å; M33-V37 PolarHBondContact O-N 3.1Å; A34-V37 PolarHBondContact O-N 3.27Å; A34-V37 VanDerWaalsContact O-N 3.11Å; V37-F40 CarbonylContact O-C 3.57Å; V37-F40 PolarHBondContact O-N 3.03Å; V37-G41 WeakPolarHBondContact O-CA 3.45Å; V37-G41 PolarHBondContact O-N 2.93Å
38T52.9Low48.5Very low76 Ų76103.8 Ų103.847%0.46656%0.561SS.*Hα-helixtrans-65.2-46.6176.4-55.20000111.1A34 A35 F40 G41 E42A34-T38 PolarHBondContact O-N 3.15Å; A34-T38 PolarHBondContact O-OG1 2.96Å; A34-T38 VanDerWaalsContact O-OG1 3.08Å; A35-T38 PolarHBondContact O-N 3.34Å; T38-F40 PolarHBondContact O-N 3.47Å; T38-G41 PolarHBondContact O-N 3.02Å; T38-E42 PolarHBondContact O-N 3.12Å; T38-E42 VanDerWaalsContact O-N 3.11Å
39A46.5Very low47.8Very low68 Ų68104.7 Ų104.756%0.56258%0.583SS**Hα-helixtrans-58.9-34.1176.700000112.5A35 I36A35-A39 VanDerWaalsContact O-CB 3.27Å; A35-A39 WeakPolarHBondContact O-CB 3.47Å; A35-A39 PolarHBondContact O-N 2.8Å; I36-A39 PolarHBondContact O-N 3.23Å
40F48.5Very low46.9Very low155 Ų155111.3 Ų111.368%0.6860%0.598SS**Hα-helixtrans-84.8-18.6174.2-71.8-54.9000114.2I36 V37 T38I36-F40 HydrophobicContact CG2-CD2 3.52Å; I36-F40 HydrophobicContact CG2-CE2 3.39Å; I36-F40 WeakPolarHBondContact O-CB 3.27Å; I36-F40 WeakPolarHBondContact O-CD2 3.45Å; I36-F40 WeakPolarHBondContact O-CG 3.33Å; I36-F40 PolarHBondContact O-N 3.35Å; V37-F40 CarbonylContact O-C 3.57Å; V37-F40 PolarHBondContact O-N 3.03Å; T38-F40 PolarHBondContact O-N 3.47Å
41G44.1Very low45.8Very low58 Ų58112.2 Ų112.260%0.59861%0.613SS**Hα-helixtrans-83-35.1-176.200000113.4V37 T38 F43V37-G41 WeakPolarHBondContact O-CA 3.45Å; V37-G41 PolarHBondContact O-N 2.93Å; T38-G41 PolarHBondContact O-N 3.02Å; G41-F43 VanDerWaalsContact C-N 3.3Å; G41-F43 PolarHBondContact O-N 3.02Å
42E37.4Very low45Very low151 Ų151110.9 Ų110.971%0.70662%0.618SS**SBendtrans-76.8-11.1-177-73.9-174.8161.500114.4T38T38-E42 PolarHBondContact O-N 3.12Å; T38-E42 VanDerWaalsContact O-N 3.11Å
43F37.2Very low44.5Very low179 Ų179114.8 Ų114.879%0.78564%0.643SS**  trans-12157.1-171.7-89.5-85.4000114.9G41G41-F43 VanDerWaalsContact C-N 3.3Å; G41-F43 PolarHBondContact O-N 3.02Å
44K40.1Very low43.7Very low153 Ų153115.9 Ų115.967%0.66566%0.656SS**  trans-134.565.5161.3-70-169.9-179.5-177.90111.7P46K44-P46 WeakPolarHBondContact O-CD 3.49Å
45L35.3Very low43.2Very low162 Ų162122.6 Ų122.685%0.84868%0.675SS**  trans-65.4122.5153.1-72.1171.4000106.9I47L45-I47 PolarHBondContact O-N 3.41Å; L45-I47 VanDerWaalsContact O-N 3.09Å
46P38.7Very low42.9Very low104 Ų104124.6 Ų124.668%0.67569%0.686SS**  trans-59.3120.718022.5-30.5000108.4K44 T48K44-P46 WeakPolarHBondContact O-CD 3.49Å; P46-T48 PolarHBondContact O-N 3.38Å
47I40Very low42.6Very low171 Ų171128.7 Ų128.788%0.87771%0.709SS**  trans-64.791.1169.8-58.2170.6000105.9L45 S49L45-I47 PolarHBondContact O-N 3.41Å; L45-I47 VanDerWaalsContact O-N 3.09Å; I47-S49 PolarHBondContact O-N 3.44Å
48T38.1Very low42.1Very low91 Ų91133.6 Ų133.656%0.55872%0.724SS**  trans-72.2115.5169.554.40000106.8P46 R50P46-T48 PolarHBondContact O-N 3.38Å; T48-R50 PolarHBondContact O-N 3.26Å
49S40.9Very low41.6Very low119 Ų119134.4 Ų134.483%0.83274%0.738SS**SBendtrans-65.64.4172.853.30000113.7I47I47-S49 PolarHBondContact O-N 3.44Å
50R35.6Very low41Very low205 Ų205135.1 Ų135.177%0.77474%0.739SS**SBendtrans-95.4125.7173.3-63.6-174.4-179.8-173.4-0.7107.6T48 V52T48-R50 PolarHBondContact O-N 3.26Å; R50-V52 PolarHBondContact O-N 2.64Å; R50-V52 VanDerWaalsContact O-N 3.1Å
51P40.1Very low40.8Very low121 Ų121132.7 Ų132.779%0.78674%0.739SS**PPolyproline II helixtrans-54.5122.8172.821.7-30.1000108.2P53P51-P53 WeakPolarHBondContact O-CD 3.39Å
52V44.6Very low40.6Very low110 Ų110140.4 Ų140.467%0.66775%0.75SS**PPolyproline II helixtrans-58.5122.5170.5177.70000105.8R50 V54R50-V52 PolarHBondContact O-N 2.64Å; R50-V52 VanDerWaalsContact O-N 3.1Å; V52-V54 PolarHBondContact O-N 3.41Å
53P43.9Very low40.5Very low118 Ų118140.6 Ų140.677%0.76676%0.755SS**  trans-60.7107.9178.622.7-30.6000107.8P51 K55P51-P53 WeakPolarHBondContact O-CD 3.39Å; P53-K55 PolarHBondContact O-N 3.38Å; P53-K55 VanDerWaalsContact O-N 3.12Å
54V42.8Very low40.5Very low135 Ų135140.6 Ų140.682%0.81876%0.757SS**  trans-61.2117.6172.3-174.20000105.1V52 S56V52-V54 PolarHBondContact O-N 3.41Å; V54-S56 VanDerWaalsContact C-N 3.34Å; V54-S56 PolarHBondContact O-N 2.93Å
55K44.4Very low40.4Very low193 Ų193142.7 Ų142.784%0.83977%0.767SS**  trans-55.5104.6171.1-78.6-177.4176.5-179.80107P53 N57P53-K55 PolarHBondContact O-N 3.38Å; P53-K55 VanDerWaalsContact O-N 3.12Å; K55-N57 PolarHBondContact O-N 3.02Å
56S45.9Very low40.6Very low88 Ų88140.4 Ų140.462%0.61576%0.76SS**  trans-57.6108.8167.6139.70000106.4V54 K58V54-S56 VanDerWaalsContact C-N 3.34Å; V54-S56 PolarHBondContact O-N 2.93Å; S56-K58 PolarHBondContact O-N 3.28Å; S56-K58 VanDerWaalsContact O-N 3.08Å; S56-K58 PolarHBondContact OG-N 3.35Å
57N45.4Very low40.2Very low166 Ų166143.8 Ų143.889%0.88877%0.771SS**  trans-74.915.8173.9-130.212.9000112K55 A59K55-N57 PolarHBondContact O-N 3.02Å; N57-A59 PolarHBondContact O-N 3.49Å
58K41.2Very low40Very low182 Ų182141.8 Ų141.879%0.79177%0.772SS**  trans-73.188.6164.9-65-168.6177.2-174.60107S56 S60S56-K58 PolarHBondContact O-N 3.28Å; S56-K58 VanDerWaalsContact O-N 3.08Å; S56-K58 PolarHBondContact OG-N 3.35Å; K58-S60 VanDerWaalsContact C-N 3.28Å; K58-S60 PolarHBondContact O-N 3.22Å
59A42Very low39.6Very low93 Ų93141.9 Ų141.977%0.76978%0.777SS**  trans-46.299.8158.400000107.5N57 P61N57-A59 PolarHBondContact O-N 3.49Å; A59-P61 VanDerWaalsContact O-CD 3.28Å; A59-P61 WeakPolarHBondContact O-CD 3.16Å
60S34.7Very low39.2Very low84 Ų84147.4 Ų147.459%0.58778%0.78SS**  trans-71.1115.5169.1177.90000106.1K58 W62K58-S60 VanDerWaalsContact C-N 3.28Å; K58-S60 PolarHBondContact O-N 3.22Å; S60-W62 PolarHBondContact O-N 2.79Å
61P44.8Very low38.9Very low104 Ų104146 Ų14668%0.67579%0.787SS**G310 helixtrans-71.95.4-172.827.5-32.4000113.8A59 L63A59-P61 VanDerWaalsContact O-CD 3.28Å; A59-P61 WeakPolarHBondContact O-CD 3.16Å; P61-L63 PolarHBondContact O-N 2.55Å
62W38.5Very low38.5Very low220 Ų220151.9 Ų151.983%0.83379%0.793SS**G310 helixtrans-82.7-5.7-175.4-7979.3000115.3S60S60-W62 PolarHBondContact O-N 2.79Å
63L36.2Very low37.9Very low154 Ų154152.5 Ų152.581%0.80680%0.802SS**G310 helixtrans-105.615.9179.5-70175.2000114.8P61 F65P61-L63 PolarHBondContact O-N 2.55Å; L63-F65 PolarHBondContact O-N 3.08Å
64Q37.4Very low37.2Very low179 Ų179157.5 Ų157.584%0.83681%0.806SS**THydrogen-bonded Turntrans-77.4-3.1166.9-91.3-174.2-11.300114.1
65F38Very low36.7Very low197 Ų197159.5 Ų159.586%0.86481%0.806SS**THydrogen-bonded Turntrans-92.25.9-172-107.1-79.8000117.7L63L63-F65 PolarHBondContact O-N 3.08Å
66V38.7Very low35.9Very low115 Ų115157.2 Ų157.270%0.69780%0.803SS**SBendtrans-120.92.5-173.3-171.20000115.8
67L30.5Very low35.2Very low174 Ų174159.9 Ų159.991%0.91182%0.815SS**SBendtrans-122.926.6-175.5-75.7166.8000116.5
68S36.1Very low34.4Very low129 Ų129157.3 Ų157.390%0.90281%0.809SS**SBendtrans-11018.8171.2-150.70000114.8
69S29.5Very low33.9Very low94 Ų94155.6 Ų155.666%0.65781%0.807SS**SBendtrans-127.8134169.9690000110.6
70R32.6Very low33.3Very low235 Ų235156.4 Ų156.489%0.88780%0.804SS**  trans88.649.7179.4-47.8-173.2-171.7-156.71.1116.2R72R70-R72 VanDerWaalsContact C-N 3.34Å; R70-R72 PolarHBondContact O-N 2.83Å; R70-R72 VanDerWaalsContact O-N 3.13Å
71L30.3Very low33.2Very low176 Ų176156.8 Ų156.892%0.92181%0.807SS**  -50.4103.6126.9-93151.7000108.3
72R31.3Very low32.6Very low244 Ų244159.9 Ų159.992%0.92182%0.816SS**  trans149.188.5156.6-84.5171-159.9-152.86.3109.3R70R70-R72 VanDerWaalsContact C-N 3.34Å; R70-R72 PolarHBondContact O-N 2.83Å; R70-R72 VanDerWaalsContact O-N 3.13Å
73S32Very low32.2Very low123 Ų123159.2 Ų159.286%0.8681%0.814SS**  -162.5113.1129.8-163.70000107.3
74R29Very low31.9Very low223 Ų223160.1 Ų160.184%0.84281%0.814SS**  trans-67.9160167.8-74.3178.3157.9-173.5-5.5108.8
75Q31.5Very low31.6Very low176 Ų176157.5 Ų157.582%0.82281%0.812SS**  trans96.7132.1161.7-60.8170.9-8.100116
76D29Very low31Very low146 Ų146153.5 Ų153.578%0.78181%0.808SS**  trans81.472.3174.1-52.2-22.7000117.7C78D76-C78 PolarHBondContact O-N 3.11Å
77V29.6Very low30.4Very low143 Ų143155.8 Ų155.887%0.86782%0.815SS**  trans-63.778.1154.4-177.60000108.6I79V77-I79 HydrophobicContact CG1-CG1 4.41Å
78C29.6Very low30.2Very low113 Ų113153.7 Ų153.776%0.76481%0.809SS**  trans-88.1100.9160.4-71.30000108D76D76-C78 PolarHBondContact O-N 3.11Å
79I29.8Very low29.6Very low145 Ų145155.5 Ų155.574%0.74480%0.803SS**  trans-49.8128.3171.6-63.4167.5000108.5V77 S81V77-I79 HydrophobicContact CG1-CG1 4.41Å; I79-S81 PolarHBondContact O-N 3.37Å
80P29.5Very low29.5Very low110 Ų110153.6 Ų153.671%0.71479%0.793SS**  trans-65.2111.1-175.324.6-31.9000109.8I82P80-I82 PolarHBondContact O-N 3.12Å
81S32.8Very low29.1Very low93 Ų93148.4 Ų148.465%0.6579%0.788SS**  trans-55.3103.4166.5178.80000108.6I79 R83I79-S81 PolarHBondContact O-N 3.37Å; S81-R83 PolarHBondContact O-N 3.25Å
82I32.5Very low28.9Very low168 Ų168148.1 Ų148.186%0.86278%0.779SS**  trans-6881171.5-57.9170.6000107P80P80-I82 PolarHBondContact O-N 3.12Å
83R29.5Very low28.5Very low207 Ų207144 Ų14478%0.78177%0.77SS**  trans-145.486.9177.2-73.2-165.8179.5-179.11.8110.8S81S81-R83 PolarHBondContact O-N 3.25Å
84Q31.4Very low28.1Very low173 Ų173148 Ų14881%0.80877%0.767SS**  153.6111.5108.6-87.9174.1-12.800107.6C86Q84-C86 PolarHBondContact O-N 3.4Å
85P29.9Very low27.9Very low123 Ų123142.5 Ų142.580%0.79976%0.758SS**  trans-60.7119.6169.325.7-29.7000106.6L87P85-L87 PolarHBondContact O-N 3.06Å
86C25.9Very low27.5Very low114 Ų114142 Ų14277%0.7775%0.753SS**  trans-31.6110.2168.5-20000107.8Q84 V88Q84-C86 PolarHBondContact O-N 3.4Å; C86-V88 PolarHBondContact O-N 2.9Å
87L26.5Very low27.4Very low163 Ų163140.8 Ų140.885%0.85375%0.746SS**  trans-50.196.7165.6-87.2154.7000104.7P85 Q89P85-L87 PolarHBondContact O-N 3.06Å; L87-Q89 PolarHBondContact O-N 3.5Å
88V25.2Very low27.2Very low130 Ų130142.1 Ų142.179%0.78874%0.74SS**  trans-64.182.4152.6-176.30000101.3C86 A90C86-V88 PolarHBondContact O-N 2.9Å; V88-A90 PolarHBondContact O-N 3.35Å
89Q24.8Very low27.1Very low167 Ų167143.7 Ų143.778%0.7874%0.741SS**  trans-60.679.1162.1-165.1176.58.600101.1L87 T91L87-Q89 PolarHBondContact O-N 3.5Å; Q89-T91 PolarHBondContact O-N 3.05Å
90A27.1Very low27.1Very low54 Ų54141.3 Ų141.345%0.44674%0.743SS.*  trans-50.7104.5165.300000100.2V88 F92V88-A90 PolarHBondContact O-N 3.35Å; A90-F92 HydrophobicContact CB-CD2 4.09Å; A90-F92 HydrophobicContact CB-CE2 4.14Å; A90-F92 WeakPolarHBondContact O-CD2 3.45Å; A90-F92 PolarHBondContact O-N 3.45Å
91T23.7Very low27.2Very low126 Ų126137.3 Ų137.377%0.77372%0.719SS**  trans-54.478.3153.539.90000102.8Q89 Q93Q89-T91 PolarHBondContact O-N 3.05Å; T91-Q93 PolarHBondContact O-N 3.28Å
92F25.4Very low27.3Very low169 Ų169136.9 Ų136.974%0.74171%0.709SS**  trans-45.682.8131.5-73.8-86.7000101.6A90 R94A90-F92 HydrophobicContact CB-CD2 4.09Å; A90-F92 HydrophobicContact CB-CE2 4.14Å; A90-F92 WeakPolarHBondContact O-CD2 3.45Å; A90-F92 PolarHBondContact O-N 3.45Å; F92-R94 PolarHBondContact O-N 3.46Å
93Q23.1Very low27.6Very low157 Ų157132.5 Ų132.573%0.73469%0.687SS**  trans-32.1104.8136.8-85.4176-14.900101.4T91 V95T91-Q93 PolarHBondContact O-N 3.28Å; Q93-V95 HydrophobicContact CB-CG2 4.34Å; Q93-V95 PolarHBondContact O-N 3.38Å
94R23.3Very low28Very low208 Ų208128.8 Ų128.879%0.78568%0.683SS**  trans-44.384.4148.8-71.1169.9173.1174.2-3.2101.1F92 F96F92-R94 PolarHBondContact O-N 3.46Å; R94-F96 HydrophobicContact CB-CD2 4.2Å; R94-F96 HydrophobicContact CB-CE2 4.13Å; R94-F96 WeakPolarHBondContact O-CD2 3.44Å; R94-F96 PolarHBondContact O-N 3.49Å
95V26.2Very low28.3Very low107 Ų107123.3 Ų123.365%0.64866%0.661SS**  trans-63.993.2165171.1000096.3Q93 L97Q93-V95 HydrophobicContact CB-CG2 4.34Å; Q93-V95 PolarHBondContact O-N 3.38Å; V95-L97 HydrophobicContact CG1-CG 4.39Å; V95-L97 PolarHBondContact O-N 3.3Å
96F22.5Very low28.6Very low165 Ų165121 Ų12172%0.72464%0.64SS**  trans-55.276.5162.2-76.7-91.8000102.6R94 K98R94-F96 HydrophobicContact CB-CD2 4.2Å; R94-F96 HydrophobicContact CB-CE2 4.13Å; R94-F96 WeakPolarHBondContact O-CD2 3.44Å; R94-F96 PolarHBondContact O-N 3.49Å; F96-K98 HydrophobicContact CB-CG 4.48Å; F96-K98 PolarHBondContact O-N 2.87Å
97L28Very low29.1Very low122 Ų122123.9 Ų123.964%0.63963%0.634SS**  trans-55.377.1137.1-85.8149.1000102V95 D99V95-L97 HydrophobicContact CG1-CG 4.39Å; V95-L97 PolarHBondContact O-N 3.3Å; L97-D99 PolarHBondContact O-N 3.17Å
98K24.4Very low29.6Very low171 Ų171121.6 Ų121.674%0.74362%0.618SS**  trans-39.7131.9165.6-78.2-180171-177.40104.1F96 A100F96-K98 HydrophobicContact CB-CG 4.48Å; F96-K98 PolarHBondContact O-N 2.87Å; K98-A100 PolarHBondContact O-N 3.29Å
99D28.6Very low30Very low145 Ų145125 Ų12578%0.77562%0.622SS**SBendtrans-51.910.9-170-64.1-64.5000116.4L97 A101L97-D99 PolarHBondContact O-N 3.17Å; D99-A101 VanDerWaalsContact C-N 3.29Å; D99-A101 PolarHBondContact O-N 3.28Å; D99-A101 VanDerWaalsContact O-N 3.14Å
100A28.8Very low30.5Very low96 Ų96120.4 Ų120.479%0.79361%0.607SS**THydrogen-bonded Turntrans-71.61.4-172.500000116.3K98K98-A100 PolarHBondContact O-N 3.29Å
101A31.6Very low30.7Very low26 Ų26121.8 Ų121.822%0.21561%0.614CS.*THydrogen-bonded Turntrans-15420.3-177.600000117.7D99 N103D99-A101 VanDerWaalsContact C-N 3.29Å; D99-A101 PolarHBondContact O-N 3.28Å; D99-A101 VanDerWaalsContact O-N 3.14Å; A101-N103 VanDerWaalsContact C-N 3.31Å; A101-N103 PolarHBondContact O-N 3.12Å
102I34.8Very low31.4Very low83 Ų83121 Ų12143%0.42661%0.613SS.*  trans-85.375.2178.6-52.4169.2000109.7N104 V105 W121I102-N104 VanDerWaalsContact C-N 3.29Å; I102-N104 PolarHBondContact O-N 3.47Å; I102-N104 VanDerWaalsContact O-N 3.12Å; I102-V105 HydrophobicContact CG2-CG2 3.97Å; I102-W121 HydrophobicContact CD1-CZ3 3.95Å; I102-W121 HydrophobicContact CG1-CE3 4.39Å; I102-W121 HydrophobicContact CG1-CZ3 4.03Å; I102-W121 HydrophobicContact CG2-CE3 4.21Å; I102-W121 HydrophobicContact CG2-CZ3 3.9Å
103N38.6Very low32Very low77 Ų77120.6 Ų120.641%0.41262%0.618SS.*  trans-87.558.4-179.8-77.4-37.8000112.5A101A101-N103 VanDerWaalsContact C-N 3.31Å; A101-N103 PolarHBondContact O-N 3.12Å
104N37.4Very low32.5Very low128 Ų128117 Ų11768%0.68460%0.604SS**  trans99.9121.1174.7-49.3-27.7000115.4I102I102-N104 VanDerWaalsContact C-N 3.29Å; I102-N104 PolarHBondContact O-N 3.47Å; I102-N104 VanDerWaalsContact O-N 3.12Å
105V38.3Very low32.9Very low58 Ų58114.3 Ų114.335%0.35260%0.598SS.*  trans-95.3102.7169.6177.90000107.7I102 R107 R119 W121I102-V105 HydrophobicContact CG2-CG2 3.97Å; V105-R107 HydrophobicContact CG1-CG 4.45Å; V105-R119 HydrophobicContact CG1-CB 4.37Å; V105-R119 HydrophobicContact CG1-CG 4.01Å; V105-W121 HydrophobicContact CG2-CZ3 4.32Å
106E35.7Very low33.4Very low75 Ų75111.9 Ų111.935%0.3558%0.579SS.*EExtended strand (participates in β ladder)trans-85.6121169.1-69.2172.7165.900109F108 R122E106-F108 HydrophobicContact CB-CD2 4.2Å; E106-F108 HydrophobicContact CB-CE2 3.38Å; E106-F108 HydrophobicContact CB-CZ 3.74Å; E106-F108 HydrophobicContact CG-CE2 4.35Å; E106-F108 HydrophobicContact CG-CZ 4.31Å; E106-R122 IonicContact OE1-NH2 2.89Å; E106-R122 IonicContact OE2-CZ 3.51Å; E106-R122 IonicContact OE2-NH2 3.87Å; E106-R122 PolarHBondContact OE2-NH2 3.44Å
107R36.5Very low34Very low175 Ų175106.1 Ų106.166%0.6656%0.557SS**EExtended strand (participates in β ladder)trans-94.2123.5172-66.7-177.2-173.8177.13.2108.3V105V105-R107 HydrophobicContact CG1-CG 4.45Å
108F38.3Very low34.5Very low114 Ų114100.8 Ų100.850%0.553%0.531SS..EExtended strand (participates in β ladder)trans-116.3133.1171.3-60.6-81.4000109.6E106 C110 G118E106-F108 HydrophobicContact CB-CD2 4.2Å; E106-F108 HydrophobicContact CB-CE2 3.38Å; E106-F108 HydrophobicContact CB-CZ 3.74Å; E106-F108 HydrophobicContact CG-CE2 4.35Å; E106-F108 HydrophobicContact CG-CZ 4.31Å; F108-C110 PolarHBondContact O-N 3.22Å; F108-G118 PolarHBondContact O-N 3.23Å
109K33.8Very low35.1Very low203 Ų20396.8 Ų96.888%0.88351%0.512SS*.EExtended strand (participates in β ladder)trans-80.8109.6170-73.3-175.1178.2-178.30108.1S111K109-S111 PolarHBondContact O-N 2.83Å
110C34.3Very low35.7Very low70 Ų7091.7 Ų91.747%0.47349%0.485SS..  trans-92.496.4176.8-700000110.5F108 K116F108-C110 PolarHBondContact O-N 3.22Å; C110-K116 HydrophobicContact CB-CB 4.29Å; C110-K116 PolarHBondContact N-O 3.04Å
111S31.3Very low36.2Very low82 Ų8291.6 Ų91.657%0.57347%0.465SS*.  trans57142.1176.8820000116.8K109 L113 L114K109-S111 PolarHBondContact O-N 2.83Å; S111-L113 PolarHBondContact O-N 3.26Å; S111-L114 CarbonylContact O-C 3.6Å; S111-L114 PolarHBondContact O-N 2.9Å
112S38.5Very low36.5Very low110 Ų11096.7 Ų96.777%0.76948%0.478SS*.THydrogen-bonded Turntrans-65.2-18-17546.50000114.8
113L37.9Very low36.8Very low161 Ų16196.5 Ų96.584%0.84348%0.476SS*.THydrogen-bonded Turntrans-91.1-9.8-178.3-69.2172000113.6S111S111-L113 PolarHBondContact O-N 3.26Å
114L33.9Very low36.6Very low82 Ų82101.5 Ų101.543%0.42949%0.489SS..SBendtrans-132.9103.8176.6-68.4166.4000105.9S111 K116S111-L114 CarbonylContact O-C 3.6Å; S111-L114 PolarHBondContact O-N 2.9Å; L114-K116 HydrophobicContact CB-CD 3.86Å; L114-K116 HydrophobicContact CB-CG 3.95Å; L114-K116 HydrophobicContact CD1-CD 4.18Å; L114-K116 HydrophobicContact CG-CD 4.5Å; L114-K116 PolarHBondContact O-N 3.42Å
115F31.2Very low36.7Very low150 Ų15097.9 Ų97.966%0.65847%0.471SS*.  trans-64.573169.2-74.6-92.6000109.5E141F115-E141 WeakPolarHBondContact CB-OE2 3.25Å
116K37.5Very low36.4Very low57 Ų57105.8 Ų105.825%0.24850%0.495CS..EExtended strand (participates in β ladder)trans-107.199.9179-76.3178.5-177.7-1790106.5C110 L114 G118 V138C110-K116 HydrophobicContact CB-CB 4.29Å; C110-K116 PolarHBondContact N-O 3.04Å; L114-K116 HydrophobicContact CB-CD 3.86Å; L114-K116 HydrophobicContact CB-CG 3.95Å; L114-K116 HydrophobicContact CD1-CD 4.18Å; L114-K116 HydrophobicContact CG-CD 4.5Å; L114-K116 PolarHBondContact O-N 3.42Å; K116-G118 PolarHBondContact O-N 3.15Å; K116-V138 HydrophobicContact CB-CG1 4.28Å; K116-V138 HydrophobicContact CD-CG1 4.42Å; K116-V138 HydrophobicContact CG-CG1 4.46Å
117T35Very low36.4Very low43 Ų43109.6 Ų109.626%0.26451%0.512SS..EExtended strand (participates in β ladder)trans-83.4102.416843.40000108.1R139T117-R139 PolarHBondContact N-O 3.16Å; T117-R139 PolarHBondContact O-N 3.47Å
118G37.7Very low36.6Very low10 Ų10110.3 Ų110.310%0.10352%0.523CS..EExtended strand (participates in β ladder)trans-73.8131.3169.400000109.9F108 K116F108-G118 PolarHBondContact O-N 3.23Å; K116-G118 PolarHBondContact O-N 3.15Å
119R38.4Very low36.6Very low88 Ų88107.1 Ų107.133%0.33252%0.515SS..EExtended strand (participates in β ladder)trans-112.2116.9162.3-70.4-172.5-174.1-175.52.2107.9V105 S137V105-R119 HydrophobicContact CG1-CB 4.37Å; V105-R119 HydrophobicContact CG1-CG 4.01Å; R119-S137 PolarHBondContact N-O 3.33Å; R119-S137 PolarHBondContact O-N 3.38Å; R119-S137 PolarHBondContact O-OG 3.49Å
120V40Very low36.8Very low37 Ų37102.8 Ų102.822%0.22451%0.507CS..EExtended strand (participates in β ladder)trans-95.8124174.2-177.60000108.1R122 V134V120-R122 HydrophobicContact CG1-CG 4.46Å; V120-V134 HydrophobicContact CG1-CG1 3.89Å
121W39.1Very low37Very low95 Ų95102.9 Ų102.936%0.3650%0.503SS..EExtended strand (participates in β ladder)trans-102.1113.9174.7-55.985.5000108.1I102 V105 H123 M135 S137I102-W121 HydrophobicContact CD1-CZ3 3.95Å; I102-W121 HydrophobicContact CG1-CE3 4.39Å; I102-W121 HydrophobicContact CG1-CZ3 4.03Å; I102-W121 HydrophobicContact CG2-CE3 4.21Å; I102-W121 HydrophobicContact CG2-CZ3 3.9Å; V105-W121 HydrophobicContact CG2-CZ3 4.32Å; W121-H123 PolarHBondContact O-N 2.89Å; W121-M135 PolarHBondContact N-O 3.06Å; W121-M135 PolarHBondContact O-N 3.48Å; W121-S137 PolarHBondContact NE1-OG 2.85Å
122R39Very low37.4Very low133 Ų133102.3 Ų102.350%0.50250%0.496SS..EExtended strand (participates in β ladder)trans-91.798.4173.8-63.6-172.6-169.2177.210.7108.4E106 V120 R124E106-R122 IonicContact OE1-NH2 2.89Å; E106-R122 IonicContact OE2-CZ 3.51Å; E106-R122 IonicContact OE2-NH2 3.87Å; E106-R122 PolarHBondContact OE2-NH2 3.44Å; V120-R122 HydrophobicContact CG1-CG 4.46Å; R122-R124 PolarHBondContact O-N 3.38Å
123H39.4Very low37.6Very low79 Ų79103.4 Ų103.437%0.36648%0.484SS..  trans-78.3115.1172.5-164.5-80.7000108.6W121W121-H123 PolarHBondContact O-N 2.89Å
124R35.8Very low37.8Very low182 Ų18297.6 Ų97.669%0.68745%0.454SS*.PPolyproline II helixtrans-70.8135.8164.9-76.8-169.8-174.1-179.42.4107.9R122 W126R122-R124 PolarHBondContact O-N 3.38Å; R124-W126 PolarHBondContact O-N 3.46Å
125T38.6Very low38.1Very low51 Ų5197.5 Ų97.531%0.31345%0.453SS..PPolyproline II helixtrans-63.2125.5179.227.20000110.1H127 S129 N131T125-H127 PolarHBondContact O-N 3Å; T125-S129 VanDerWaalsContact CB-O 3.22Å; T125-S129 WeakPolarHBondContact CB-O 3.26Å; T125-S129 WeakPolarHBondContact CG2-O 3.4Å; T125-S129 PolarHBondContact OG1-O 2.9Å; T125-N131 VanDerWaalsContact CG2-C 3.47Å; T125-N131 WeakPolarHBondContact CG2-O 3.4Å
126W31.8Very low38.6Very low224 Ų22492.4 Ų92.485%0.84844%0.436SS*.SBendtrans-61.4126.7166-161.4-16.7000107.2R124R124-W126 PolarHBondContact O-N 3.46Å
127H36.3Very low38.9Very low155 Ų15590.6 Ų90.672%0.71843%0.431SS*.THydrogen-bonded Turntrans33.8105.5165-89.2-87.2000116.1T125 S129T125-H127 PolarHBondContact O-N 3Å; H127-S129 PolarHBondContact O-N 2.92Å
128Q41.9Very low39Very low190 Ų19091.4 Ų91.489%0.88844%0.435SS*.THydrogen-bonded Turntrans71.57.1161-56.4179.8-700118.6
129S37.4Very low38.9Very low48 Ų4896.4 Ų96.434%0.33645%0.451SS..  trans-96.5122.8167.7-161.30000111.8T125 H127 N131T125-S129 VanDerWaalsContact CB-O 3.22Å; T125-S129 WeakPolarHBondContact CB-O 3.26Å; T125-S129 WeakPolarHBondContact CG2-O 3.4Å; T125-S129 PolarHBondContact OG1-O 2.9Å; H127-S129 PolarHBondContact O-N 2.92Å; S129-N131 PolarHBondContact O-N 3.31Å; S129-N131 VanDerWaalsContact O-N 3.12Å; S129-N131 PolarHBondContact OG-ND2 3.15Å
130P38Very low38.9Very low111 Ų11195 Ų9572%0.72145%0.45SS*.  trans-69.6-3.2172.828.8-34.4000113.1V132P130-V132 PolarHBondContact O-N 2.96Å
131N37.6Very low39Very low73 Ų7398.5 Ų98.539%0.3946%0.464SS..  trans-89.784-170.7-65.8-47.2000112.6T125 S129 R133T125-N131 VanDerWaalsContact CG2-C 3.47Å; T125-N131 WeakPolarHBondContact CG2-O 3.4Å; S129-N131 PolarHBondContact O-N 3.31Å; S129-N131 VanDerWaalsContact O-N 3.12Å; S129-N131 PolarHBondContact OG-ND2 3.15Å; N131-R133 PolarHBondContact O-N 3.21Å; N131-R133 VanDerWaalsContact O-N 3.12Å
132V40.5Very low39.2Very low70 Ų70101.7 Ų101.742%0.42448%0.483SS..  trans-61.2115.7172-176.50000110P130 V134P130-V132 PolarHBondContact O-N 2.96Å; V132-V134 HydrophobicContact CG1-CG2 4Å
133R41.8Very low39.2Very low133 Ų133102.3 Ų102.350%0.50250%0.496SS..EExtended strand (participates in β ladder)trans-94111.7170-69.1-171.9-171.5-167.41.3108.7N131 H152N131-R133 PolarHBondContact O-N 3.21Å; N131-R133 VanDerWaalsContact O-N 3.12Å; R133-H152 PolarHBondContact NE-CE1 3.37Å
134V42.2Very low39.1Very low38 Ų38100.8 Ų100.823%0.2350%0.502CS..EExtended strand (participates in β ladder)trans-95.2120.4172.3-176.30000108V120 V132V120-V134 HydrophobicContact CG1-CG1 3.89Å; V132-V134 HydrophobicContact CG1-CG2 4Å
135M41.2Very low39.1Very low80 Ų8098.1 Ų98.139%0.39450%0.495SS..EExtended strand (participates in β ladder)trans-104.5112.5172.7-73.2-170.16700108.9W121 V147 P150W121-M135 PolarHBondContact N-O 3.06Å; W121-M135 PolarHBondContact O-N 3.48Å; M135-V147 HydrophobicContact CE-CG1 4.09Å; M135-P150 HydrophobicContact CG-CB 3.92Å; M135-P150 HydrophobicContact SD-CB 4.39Å
136S41.5Very low39.3Very low43 Ų43100.2 Ų100.230%0.30151%0.508SS..EExtended strand (participates in β ladder)trans-90.6131.3166.841.90000109.5S148S136-S148 WeakPolarHBondContact O-CB 3.34Å; S136-S148 PolarHBondContact O-N 2.99Å; S136-S148 PolarHBondContact O-OG 2.83Å; S136-S148 PolarHBondContact OG-OG 3.16Å
137S43.3Very low39.8Very low20 Ų2093.5 Ų93.514%0.1449%0.492CS..EExtended strand (participates in β ladder)trans-11412516557.20000107.7R119 W121R119-S137 PolarHBondContact N-O 3.33Å; R119-S137 PolarHBondContact O-N 3.38Å; R119-S137 PolarHBondContact O-OG 3.49Å; W121-S137 PolarHBondContact NE1-OG 2.85Å
138V38.1Very low40.2Very low60 Ų6087.7 Ų87.736%0.36447%0.468SS..EExtended strand (participates in β ladder)trans-100.2114.4173.4-177.20000106.4K116 V146K116-V138 HydrophobicContact CB-CG1 4.28Å; K116-V138 HydrophobicContact CD-CG1 4.42Å; K116-V138 HydrophobicContact CG-CG1 4.46Å; V138-V146 PolarHBondContact N-O 2.77Å; V138-V146 PolarHBondContact O-N 2.81Å
139R35.9Very low40.2Very low115 Ų11584.3 Ų84.343%0.43446%0.455SS..EExtended strand (participates in β ladder)trans-87124.6173-170.3-179.9-176.4-169.62107.5T117 F145T117-R139 PolarHBondContact N-O 3.16Å; T117-R139 PolarHBondContact O-N 3.47Å; R139-F145 HydrophobicContact CG-CE1 4.39Å
140N37.9Very low40.3Very low57 Ų5784.2 Ų84.231%0.30545%0.453SS..EExtended strand (participates in β ladder)trans-90.5134.3159.7-161.49000106.9E142N140-E142 PolarHBondContact O-N 3.05Å
141E42.4Very low40.5Very low112 Ų11285.3 Ų85.352%0.52345%0.446SS..SBendtrans-61.9-28.7-176.8-78.1-176.4168.400112.3F115F115-E141 WeakPolarHBondContact CB-OE2 3.25Å
142E42.2Very low40.5Very low162 Ų16286.1 Ų86.176%0.75745%0.448SS*.SBendtrans-92.4-33.7-170.4-67.7-177.5160.100115.2N140N140-E142 PolarHBondContact O-N 3.05Å
143N39.7Very low40.3Very low145 Ų14587.6 Ų87.678%0.77545%0.446SS*.SBendtrans-151.663.4-166.7-81.7-44.3000114.9
144G36Very low40Very low47 Ų4789.8 Ų89.849%0.48545%0.454SS..  trans90.6166.2160.500000116.4V146G144-V146 PolarHBondContact O-N 2.86Å
145F37.6Very low39.4Very low127 Ų12797.5 Ų97.556%0.55748%0.48SS*.EExtended strand (participates in β ladder)trans-81.1115-178.9-70-87.7000110.3R139 V147R139-F145 HydrophobicContact CG-CE1 4.39Å; F145-V147 PolarHBondContact O-N 2.99Å
146V43Very low38.9Very low94 Ų94101.9 Ų101.957%0.5749%0.494SS*.EExtended strand (participates in β ladder)trans-8593.6161.9-1740000107.1V138 G144 S148V138-V146 PolarHBondContact N-O 2.77Å; V138-V146 PolarHBondContact O-N 2.81Å; G144-V146 PolarHBondContact O-N 2.86Å; V146-S148 PolarHBondContact O-N 3Å; V146-S148 VanDerWaalsContact O-N 3.1Å
147V41.5Very low38.6Very low84 Ų84102.1 Ų102.151%0.50950%0.503SS..EExtended strand (participates in β ladder)trans-67.1106.6167.7-178.80000106.8M135 F145 I149M135-V147 HydrophobicContact CE-CG1 4.09Å; F145-V147 PolarHBondContact O-N 2.99Å; V147-I149 PolarHBondContact O-N 3.03Å
148S43.9Very low38.3Very low32 Ų32111.4 Ų111.422%0.22454%0.541CS..PPolyproline II helixtrans-72123.7171.776.50000107.9S136 V146S136-S148 WeakPolarHBondContact O-CB 3.34Å; S136-S148 PolarHBondContact O-N 2.99Å; S136-S148 PolarHBondContact O-OG 2.83Å; S136-S148 PolarHBondContact OG-OG 3.16Å; V146-S148 PolarHBondContact O-N 3Å; V146-S148 VanDerWaalsContact O-N 3.1Å
149I41.5Very low37.6Very low120 Ų120113.7 Ų113.762%0.61556%0.555SS**PPolyproline II helixtrans-54.4130.3-176.3-62171.1000108.1V147 K151V147-I149 PolarHBondContact O-N 3.03Å; I149-K151 PolarHBondContact O-N 3.38Å
150P40.9Very low37.3Very low45 Ų45118.9 Ų118.929%0.29257%0.574SS.*PPolyproline II helixtrans-51.2116-176.615.5-28.9000110.9M135M135-P150 HydrophobicContact CG-CB 3.92Å; M135-P150 HydrophobicContact SD-CB 4.39Å
151K42.1Very low36.7Very low134 Ų134124.7 Ų124.758%0.58360%0.597SS**EExtended strand (participates in β ladder)trans-84.3116.8176.5-65.9-177.2-179.3178.60107.9I149 W153I149-K151 PolarHBondContact O-N 3.38Å; K151-W153 PolarHBondContact O-N 3.47Å
152H37.7Very low36Very low90 Ų90126.3 Ų126.342%0.41761%0.606SS.*EExtended strand (participates in β ladder)trans-66.5117.7173.9-80.6-75000110R133R133-H152 PolarHBondContact NE-CE1 3.37Å
153W36.8Very low35.4Very low101 Ų101121.2 Ų121.238%0.38360%0.597SS.*PPolyproline II helixtrans-86.6119167.6-6478.7000107.6K151 R160K151-W153 PolarHBondContact O-N 3.47Å; W153-R160 HydrophobicContact CZ3-CB 4.22Å
154R33.9Very low34.8Very low180 Ų180119.7 Ų119.768%0.67959%0.593SS**PPolyproline II helixtrans-97.7129.3165.5-76-172.1-179.2-179.20.2108.6Y156R154-Y156 HydrophobicContact CB-CD2 4.33Å; R154-Y156 HydrophobicContact CB-CE2 3.88Å
155Y30.3Very low34.6Very low200 Ų200123.2 Ų123.278%0.78461%0.606SS**PPolyproline II helixtrans-80.1116.9-178.6-162.8-98.5000109.5
156Y31.5Very low34.3Very low171 Ų171121.7 Ų121.767%0.67161%0.61SS**  trans-12883.6168.5-70.3-78.5000108.4R154R154-Y156 HydrophobicContact CB-CD2 4.33Å; R154-Y156 HydrophobicContact CB-CE2 3.88Å
157G34Very low33.5Very low48 Ų48129.3 Ų129.350%0.49563%0.629SS.*THydrogen-bonded Turntrans62.3-142177.300000114.3V159G157-V159 VanDerWaalsContact C-N 3.34Å; G157-V159 PolarHBondContact O-N 3.49Å
158K36.5Very low32.8Very low215 Ų215128.7 Ų128.794%0.93564%0.64SS**THydrogen-bonded Turntrans-81.6-3.1-176.2-73.2-176.2179177.90114.7
159V24.7Very low31.8Very low109 Ų109136 Ų13666%0.66167%0.673SS**  trans-109.1117.4-174.8-177.40000110.6G157 K161G157-V159 VanDerWaalsContact C-N 3.34Å; G157-V159 PolarHBondContact O-N 3.49Å; V159-K161 PolarHBondContact O-N 3.27Å
160R28.1Very low31.1Very low223 Ų223138.5 Ų138.584%0.84269%0.686SS**  trans-79.8100.5176.2-67-177.8-178.7179.21.7109.8W153W153-R160 HydrophobicContact CZ3-CB 4.22Å
161K26.1Very low30.6Very low179 Ų179144.4 Ų144.478%0.77874%0.738SS**  trans-104.2118.2173.8-148.2172.8-175.1177.90110.2V159 G163V159-K161 PolarHBondContact O-N 3.27Å; K161-G163 PolarHBondContact O-N 3.38Å; K161-G163 VanDerWaalsContact O-N 3.16Å
162M28.6Very low30Very low147 Ų147144.9 Ų144.972%0.72475%0.746SS**  trans-66.7108.7172.2-88.1-174.7-81.500109.4
163G28Very low29.6Very low54 Ų54147.8 Ų147.856%0.55776%0.763SS**  trans-89.7117.8168.500000110.2K161 T165K161-G163 PolarHBondContact O-N 3.38Å; K161-G163 VanDerWaalsContact O-N 3.16Å; G163-T165 PolarHBondContact O-N 3.12Å
164T29.1Very low29.2Very low113 Ų113150.4 Ų150.469%0.69378%0.784SS**  trans-84.1104.617047.40000109.2S166T164-S166 VanDerWaalsContact C-N 3.27Å; T164-S166 PolarHBondContact O-N 3.24Å
165T30.9Very low29Very low122 Ų122148.6 Ų148.675%0.74879%0.79SS**  trans-89.562.4169.232.20000109.9G163 R167G163-T165 PolarHBondContact O-N 3.12Å; T165-R167 PolarHBondContact O-N 3.2Å
166S30.9Very low28.9Very low94 Ų94145.4 Ų145.466%0.65779%0.791SS**  trans-92.684.6162.455.50000108.1T164T164-S166 VanDerWaalsContact C-N 3.27Å; T164-S166 PolarHBondContact O-N 3.24Å
167R26.5Very low28.7Very low254 Ų254143.7 Ų143.796%0.95880%0.799SS**  trans-94.6122.6154.6-92.1-173.1171.2-174.3-2.7106.7T165T165-R167 PolarHBondContact O-N 3.2Å
168G26.1Very low28.3Very low72 Ų72150.6 Ų150.674%0.74282%0.82SS**  trans109.1127.2171.600000113.2
169M24.4Very low27.7Very low185 Ų185145.6 Ų145.691%0.91181%0.811SS**  cis-147.5149.7-4.6-89.9-179.667.400108.1
170I26.5Very low27.9Very low173 Ų173148.7 Ų148.789%0.88782%0.824SS**  trans-80.5121.9166.7-63.1164.6000107
171A30Very low27.9Very low168 Ų168141.9 Ų141.9100%1.38882%0.822SS**  trans-174.50144.200000107.5

Retrieved 171 of 171 residues in 74.6 ms (Link to these results)