A0A096LTK5_POEFO Loading...

Ashwin

AlphaFold DB , UniProt , Accession A0A096LTK5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 191 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
1M43.4Very low48.4Very low246 Ų246145.3 Ų145.3100%1.21287%0.87SS**  091.40-69.8-80.3-14600107.6
2A37.7Very low49.5Very low108 Ų108143.6 Ų143.689%0.89386%0.861SS**  trans-92.6116.8-179.700000109
3A47Very low50.2Low97 Ų97141.6 Ų141.680%0.80286%0.858SS**  trans-85.4109.8173.400000108.8
4A50Low51.2Low105 Ų105136.9 Ų136.987%0.86883%0.83SS**  trans-84.3109.2169.900000108.6
5T57.8Low52.3Low141 Ų141131.5 Ų131.587%0.86580%0.801SS**  trans-79.2122.517245.70000109.5
6G46.8Very low53.4Low75 Ų75130.8 Ų130.877%0.77379%0.791SS**  trans-68145-178.800000113
7Q47.2Very low54.4Low190 Ų190126.9 Ų126.989%0.88878%0.775SS**  trans-45.1126.4-175.1-58.3-176.2-52.800114.9K9Q7-K9 PolarHBondContact O-N 2.91Å
8N43.9Very low55.3Low154 Ų154123.9 Ų123.982%0.82475%0.754SS**  trans-68110.1161.8-165.6-10.3000107.9Q10N8-Q10 PolarHBondContact O-N 2.96Å; N8-Q10 VanDerWaalsContact O-N 3.13Å
9K55Low56.3Low190 Ų190120.4 Ų120.483%0.82673%0.73SS**  trans-64.5112.7174.5-69.5-179.1177.4179.70107.5Q7 S11Q7-K9 PolarHBondContact O-N 2.91Å; K9-S11 PolarHBondContact O-N 3.41Å
10Q49.4Very low57.5Low181 Ų181117.2 Ų117.285%0.84671%0.709SS**  trans-53.8108.6171.1-77.6139.7-18.500108.9N8 V12N8-Q10 PolarHBondContact O-N 2.96Å; N8-Q10 VanDerWaalsContact O-N 3.13Å; Q10-V12 PolarHBondContact O-N 2.96Å
11S54.6Low58.8Low111 Ų111116.2 Ų116.278%0.77670%0.699SS**  trans-63.2104.5167530000107K9 S13K9-S11 PolarHBondContact O-N 3.41Å; S11-S13 PolarHBondContact O-N 3.08Å
12V61.6Low60.9Low125 Ų125109.8 Ų109.876%0.75867%0.666SS**  trans-56.6110.1168.6175.80000106.2Q10 T14Q10-V12 PolarHBondContact O-N 2.96Å; V12-T14 HydrophobicContact CG1-CG2 4.41Å; V12-T14 PolarHBondContact O-N 2.72Å
13S58.5Low63.4Low118 Ų118105 Ų10583%0.82563%0.625SS**  trans-67.883.5177.5-179.70000108.4S11 S15S11-S13 PolarHBondContact O-N 3.08Å; S13-S15 PolarHBondContact O-N 2.93Å
14T63.4Low65.5Low76 Ų76104.8 Ų104.847%0.46661%0.608SS.*  trans-67128.5170.753.40000107.7V12V12-T14 HydrophobicContact CG1-CG2 4.41Å; V12-T14 PolarHBondContact O-N 2.72Å
15S68.8Low67.5Low56 Ų56105.9 Ų105.939%0.39260%0.598SS.*  trans-64.3149.1176.970.20000109.6S13 A17 D18 L19S13-S15 PolarHBondContact O-N 2.93Å; S15-A17 PolarHBondContact O-N 3.46Å; S15-A17 VanDerWaalsContact O-N 3.1Å; S15-D18 PolarHBondContact N-OD2 2.75Å; S15-D18 WeakPolarHBondContact O-CA 3.36Å; S15-D18 WeakPolarHBondContact O-CB 3.5Å; S15-D18 PolarHBondContact O-N 2.95Å; S15-D18 PolarHBondContact OG-N 2.92Å; S15-D18 PolarHBondContact OG-OD2 2.96Å; S15-L19 PolarHBondContact O-N 2.89Å
16D68.9Low69Low120 Ų120100.3 Ų100.364%0.64256%0.563SS**Hα-helixtrans-55.5-30.9179.9-163.827000111.7D18 L19 L20D16-D18 PolarHBondContact O-N 3.01Å; D16-L19 PolarHBondContact O-N 3.36Å; D16-L20 WeakPolarHBondContact O-CG 3.27Å; D16-L20 PolarHBondContact O-N 3.12Å
17A70.1Confident71.2Confident64 Ų64100.1 Ų100.153%0.52955%0.55SS.*Hα-helixtrans-64.2-36.117200000113.6S15 L20 L21S15-A17 PolarHBondContact O-N 3.46Å; S15-A17 VanDerWaalsContact O-N 3.1Å; A17-L20 PolarHBondContact O-N 2.86Å; A17-L21 PolarHBondContact O-N 3.24Å
18D71.1Confident73.3Confident73 Ų7394.5 Ų94.539%0.3952%0.524SS..Hα-helixtrans-72.9-33.2178.5-64.1-41.1000111.8S15 D16 L20 L21 H22S15-D18 PolarHBondContact N-OD2 2.75Å; S15-D18 WeakPolarHBondContact O-CA 3.36Å; S15-D18 WeakPolarHBondContact O-CB 3.5Å; S15-D18 PolarHBondContact O-N 2.95Å; S15-D18 PolarHBondContact OG-N 2.92Å; S15-D18 PolarHBondContact OG-OD2 2.96Å; D16-D18 PolarHBondContact O-N 3.01Å; D18-L20 VanDerWaalsContact C-N 3.31Å; D18-L20 PolarHBondContact O-N 3.08Å; D18-L21 WeakPolarHBondContact O-CB 3.32Å; D18-L21 PolarHBondContact O-N 3.16Å; D18-H22 PolarHBondContact O-CD2 2.79Å
19L73.6Confident75.7Confident57 Ų5792.9 Ų92.930%0.29852%0.515SS..Hα-helixtrans-64-37.6174.4-82.6151.5000111.6S15 D16 L21 H22S15-L19 PolarHBondContact O-N 2.89Å; D16-L19 PolarHBondContact O-N 3.36Å; L19-L21 PolarHBondContact O-N 3.39Å; L19-H22 CarbonylContact O-C 3.53Å; L19-H22 PolarHBondContact O-N 2.84Å; L19-H22 VanDerWaalsContact O-N 3.15Å
20L80.9Confident77.5Confident57 Ų5787.5 Ų87.530%0.29849%0.492SS..Hα-helixtrans-70.8-17.3176.6-63.2170000113.3D16 A17 D18 H22 F30 I34 Y55 I60D16-L20 WeakPolarHBondContact O-CG 3.27Å; D16-L20 PolarHBondContact O-N 3.12Å; A17-L20 PolarHBondContact O-N 2.86Å; D18-L20 VanDerWaalsContact C-N 3.31Å; D18-L20 PolarHBondContact O-N 3.08Å; L20-H22 VanDerWaalsContact C-N 3.3Å; L20-F30 HydrophobicContact CD2-CE1 4.09Å; L20-F30 HydrophobicContact CD2-CZ 4.38Å; L20-I34 HydrophobicContact CD2-CD1 4.15Å; L20-Y55 WeakPolarHBondContact CD2-OH 3.35Å; L20-Y55 WeakPolarHBondContact O-CE1 3.46Å; L20-Y55 PolarHBondContact O-OH 3.31Å; L20-I60 VanDerWaalsContact O-CD1 3.23Å; L20-I60 WeakPolarHBondContact O-CD1 3.23Å
21L85.1Confident79.6Confident96 Ų9679 Ų7950%0.50345%0.452SS..THydrogen-bonded Turntrans-78.8-16.1172.3-66.1173.8000112.9A17 D18 L19 P23 I60A17-L21 PolarHBondContact O-N 3.24Å; D18-L21 WeakPolarHBondContact O-CB 3.32Å; D18-L21 PolarHBondContact O-N 3.16Å; L19-L21 PolarHBondContact O-N 3.39Å; L21-P23 VanDerWaalsContact C-CD 3.49Å; L21-P23 VanDerWaalsContact O-CD 3.31Å; L21-P23 WeakPolarHBondContact O-CD 3.21Å; L21-I60 HydrophobicContact CD2-CG2 4.48Å
22H88.4Confident81.4Confident112 Ų11275.8 Ų75.852%0.51943%0.425SS..  trans-121.774.6-176.6-63.1-52.8000111.3D18 L19 L20 E24 L25D18-H22 PolarHBondContact O-CD2 2.79Å; L19-H22 CarbonylContact O-C 3.53Å; L19-H22 PolarHBondContact O-N 2.84Å; L19-H22 VanDerWaalsContact O-N 3.15Å; L20-H22 VanDerWaalsContact C-N 3.3Å; H22-E24 PolarHBondContact O-N 2.91Å; H22-L25 HydrophobicContact CB-CD1 3.91Å; H22-L25 HydrophobicContact CB-CG 4.15Å; H22-L25 PolarHBondContact O-N 3.26Å
23P89.8Confident82.9Confident6 Ų675 Ų754%0.03942%0.416CS..G310 helixtrans-60.5-23.2-176.122.2-33.1000114.4L21 L25 L26 I31 T52 Y55 L56L21-P23 VanDerWaalsContact C-CD 3.49Å; L21-P23 VanDerWaalsContact O-CD 3.31Å; L21-P23 WeakPolarHBondContact O-CD 3.21Å; P23-L25 PolarHBondContact O-N 3.2Å; P23-L26 HydrophobicContact CB-CD1 4.4Å; P23-L26 WeakPolarHBondContact O-CB 3.11Å; P23-L26 PolarHBondContact O-N 2.65Å; P23-I31 WeakPolarHBondContact O-CD1 3.38Å; P23-T52 HydrophobicContact CB-CG2 3.62Å; P23-T52 HydrophobicContact CG-CG2 3.43Å; P23-T52 VanDerWaalsContact CG-CG2 3.43Å; P23-Y55 HydrophobicContact CB-CD1 3.51Å; P23-Y55 HydrophobicContact CB-CE1 3.86Å; P23-Y55 HydrophobicContact CB-CG 4.02Å; P23-Y55 HydrophobicContact CG-CD1 3.89Å; P23-Y55 HydrophobicContact CG-CE1 4.29Å; P23-L56 HydrophobicContact CG-CD2 3.63Å; P23-L56 HydrophobicContact CG-CG 4Å
24E90.9Very high84.5Confident93 Ų9370.2 Ų70.244%0.43538%0.381SS..G310 helixtrans-64.8-19.7175.7-63.8-58.415000114.2H22 R48 T52H22-E24 PolarHBondContact O-N 2.91Å; E24-R48 IonicContact OE2-CZ 3.66Å; E24-R48 IonicContact OE2-NH1 3.97Å; E24-R48 PolarHBondContact OE2-NH1 3.44Å; E24-R48 IonicContact OE2-NH2 3.94Å; E24-T52 HydrophobicContact CG-CG2 4.33Å; E24-T52 VanDerWaalsContact OE1-CB 3.25Å; E24-T52 WeakPolarHBondContact OE1-CB 3.35Å; E24-T52 WeakPolarHBondContact OE1-CG2 3.47Å; E24-T52 PolarHBondContact OE1-OG1 3.34Å; E24-T52 VanDerWaalsContact OE1-OG1 3.1Å
25L91.1Very high85.9Confident128 Ų12866.6 Ų66.667%0.6736%0.359SS*.G310 helixtrans-89.6-10.5175.8-58.2-179.9000112.4H22 P23H22-L25 HydrophobicContact CB-CD1 3.91Å; H22-L25 HydrophobicContact CB-CG 4.15Å; H22-L25 PolarHBondContact O-N 3.26Å; P23-L25 PolarHBondContact O-N 3.2Å
26L89.9Confident87.1Confident25 Ų2569.7 Ų69.713%0.13137%0.365CS..SBendtrans-83.3145.5179.5-58.1177.4000110.1P23 F30 I31 Y55P23-L26 HydrophobicContact CB-CD1 4.4Å; P23-L26 WeakPolarHBondContact O-CB 3.11Å; P23-L26 PolarHBondContact O-N 2.65Å; L26-F30 HydrophobicContact CB-CD1 3.94Å; L26-F30 HydrophobicContact CD1-CD1 3.82Å; L26-F30 HydrophobicContact CD1-CE1 3.83Å; L26-F30 HydrophobicContact CD2-CD1 3.82Å; L26-F30 HydrophobicContact CD2-CE1 3.74Å; L26-F30 HydrophobicContact CG-CD1 4.06Å; L26-F30 HydrophobicContact CG-CE1 4.27Å; L26-I31 HydrophobicContact CB-CD1 4.22Å; L26-I31 HydrophobicContact CB-CG1 3.84Å; L26-I31 HydrophobicContact CD1-CG1 4.45Å; L26-Y55 HydrophobicContact CD1-CE2 4.06Å
27S92Very high88.2Confident71 Ų7170.8 Ų70.850%0.49737%0.366SS..  trans-65.5149.5173.669.60000110.5D29 F30 I31S27-D29 PolarHBondContact O-N 3.32Å; S27-F30 WeakPolarHBondContact O-CB 3.08Å; S27-F30 PolarHBondContact O-N 3.33Å; S27-F30 VanDerWaalsContact O-N 3.08Å; S27-F30 VanDerWaalsContact OG-CB 3.25Å; S27-F30 WeakPolarHBondContact OG-CB 3.15Å; S27-F30 PolarHBondContact OG-N 3.41Å; S27-I31 WeakPolarHBondContact O-CG1 3.4Å; S27-I31 PolarHBondContact O-N 2.99Å
28Q92.9Very high89.2Confident72 Ų7274.6 Ų74.634%0.33637%0.367SS..Hα-helixtrans-55.3-42.6178.2-175.5174.21.100111.6F30 I31 Q32 E46 L51Q28-F30 VanDerWaalsContact C-N 3.32Å; Q28-F30 PolarHBondContact O-N 3.26Å; Q28-I31 PolarHBondContact O-N 3.15Å; Q28-Q32 WeakPolarHBondContact O-CG 3.48Å; Q28-Q32 PolarHBondContact O-N 3.47Å; Q28-E46 PolarHBondContact NE2-O 3.41Å; Q28-L51 HydrophobicContact CG-CD2 3.89Å
29D93.2Very high90.2Very high120 Ų12078.4 Ų78.464%0.64239%0.387SS*.Hα-helixtrans-62.6-39.1178.3-62.7-28.4000112.4S27 Q32 L33S27-D29 PolarHBondContact O-N 3.32Å; D29-Q32 PolarHBondContact O-N 3.44Å; D29-L33 WeakPolarHBondContact O-CB 3.28Å; D29-L33 PolarHBondContact O-N 3.45Å
30F92.9Very high91.1Very high76 Ų7676.7 Ų76.733%0.33338%0.379SS..Hα-helixtrans-67.2-42.1177.5-175.5-103.9000111.5L20 L26 S27 Q28 Q32 L33 I34L20-F30 HydrophobicContact CD2-CE1 4.09Å; L20-F30 HydrophobicContact CD2-CZ 4.38Å; L26-F30 HydrophobicContact CB-CD1 3.94Å; L26-F30 HydrophobicContact CD1-CD1 3.82Å; L26-F30 HydrophobicContact CD1-CE1 3.83Å; L26-F30 HydrophobicContact CD2-CD1 3.82Å; L26-F30 HydrophobicContact CD2-CE1 3.74Å; L26-F30 HydrophobicContact CG-CD1 4.06Å; L26-F30 HydrophobicContact CG-CE1 4.27Å; S27-F30 WeakPolarHBondContact O-CB 3.08Å; S27-F30 PolarHBondContact O-N 3.33Å; S27-F30 VanDerWaalsContact O-N 3.08Å; S27-F30 VanDerWaalsContact OG-CB 3.25Å; S27-F30 WeakPolarHBondContact OG-CB 3.15Å; S27-F30 PolarHBondContact OG-N 3.41Å; Q28-F30 VanDerWaalsContact C-N 3.32Å; Q28-F30 PolarHBondContact O-N 3.26Å; F30-Q32 VanDerWaalsContact C-N 3.32Å; F30-Q32 PolarHBondContact O-N 2.96Å; F30-L33 WeakPolarHBondContact O-CB 2.95Å; F30-L33 PolarHBondContact O-N 3.26Å; F30-I34 HydrophobicContact CD1-CD1 3.81Å; F30-I34 HydrophobicContact CE1-CD1 3.27Å; F30-I34 HydrophobicContact CE1-CG1 4.34Å; F30-I34 HydrophobicContact CE2-CD1 4.25Å; F30-I34 HydrophobicContact CZ-CD1 3.54Å; F30-I34 HydrophobicContact CZ-CG1 4.37Å; F30-I34 PolarHBondContact O-N 3.2Å; F30-I34 VanDerWaalsContact O-N 3.07Å
31I92.8Very high91.3Very high2 Ų279 Ų791%0.0140%0.4CS..Hα-helixtrans-60.8-43.6173.9-61.2169.6000110.3P23 L26 S27 Q28 L33 I34 L35 L51 Y55P23-I31 WeakPolarHBondContact O-CD1 3.38Å; L26-I31 HydrophobicContact CB-CD1 4.22Å; L26-I31 HydrophobicContact CB-CG1 3.84Å; L26-I31 HydrophobicContact CD1-CG1 4.45Å; S27-I31 WeakPolarHBondContact O-CG1 3.4Å; S27-I31 PolarHBondContact O-N 2.99Å; Q28-I31 PolarHBondContact O-N 3.15Å; I31-L33 VanDerWaalsContact C-N 3.33Å; I31-L33 PolarHBondContact O-N 2.91Å; I31-I34 PolarHBondContact O-N 3.16Å; I31-L35 HydrophobicContact CG2-CD1 3.88Å; I31-L35 HydrophobicContact CG2-CG 4.34Å; I31-L35 WeakPolarHBondContact O-CB 3.4Å; I31-L35 VanDerWaalsContact O-CG 3.28Å; I31-L35 WeakPolarHBondContact O-CG 3.24Å; I31-L35 PolarHBondContact O-N 2.98Å; I31-L51 HydrophobicContact CB-CD2 4.13Å; I31-L51 HydrophobicContact CG2-CB 3.86Å; I31-L51 HydrophobicContact CG2-CD2 3.96Å; I31-L51 HydrophobicContact CG2-CG 4.44Å; I31-Y55 HydrophobicContact CG2-CD2 4.04Å; I31-Y55 HydrophobicContact CG2-CG 4.39Å
32Q93.4Very high91.4Very high44 Ų4475.1 Ų75.121%0.20638%0.38CS..Hα-helixtrans-61.8-40.5175.7-69.5-17211.100112.8Q28 D29 F30 L35 K36 L51Q28-Q32 WeakPolarHBondContact O-CG 3.48Å; Q28-Q32 PolarHBondContact O-N 3.47Å; D29-Q32 PolarHBondContact O-N 3.44Å; F30-Q32 VanDerWaalsContact C-N 3.32Å; F30-Q32 PolarHBondContact O-N 2.96Å; Q32-L35 PolarHBondContact O-N 3.33Å; Q32-K36 WeakPolarHBondContact O-CB 3.43Å; Q32-K36 VanDerWaalsContact O-CG 3.24Å; Q32-K36 WeakPolarHBondContact O-CG 3.42Å; Q32-K36 PolarHBondContact O-N 3.28Å; Q32-L51 HydrophobicContact CB-CD2 4.38Å; Q32-L51 HydrophobicContact CG-CD2 3.29Å; Q32-L51 HydrophobicContact CG-CG 4.48Å
33L93.6Very high90.8Very high110 Ų11081.8 Ų81.858%0.57640%0.401SS*.Hα-helixtrans-61.1-49.9-179.7-176.164.9000110.6D29 F30 I31 L35 K36 E37D29-L33 WeakPolarHBondContact O-CB 3.28Å; D29-L33 PolarHBondContact O-N 3.45Å; F30-L33 WeakPolarHBondContact O-CB 2.95Å; F30-L33 PolarHBondContact O-N 3.26Å; I31-L33 VanDerWaalsContact C-N 3.33Å; I31-L33 PolarHBondContact O-N 2.91Å; L33-L35 PolarHBondContact O-N 3.29Å; L33-K36 PolarHBondContact O-N 3.08Å; L33-E37 PolarHBondContact O-N 3.2Å
34I92.6Very high89.8Confident17 Ų1785.6 Ų85.69%0.08743%0.433CS..Hα-helixtrans-63.5-42.6178.1-66176.8000111L20 F30 I31 K36 E37 R38 Y55 V59L20-I34 HydrophobicContact CD2-CD1 4.15Å; F30-I34 HydrophobicContact CD1-CD1 3.81Å; F30-I34 HydrophobicContact CE1-CD1 3.27Å; F30-I34 HydrophobicContact CE1-CG1 4.34Å; F30-I34 HydrophobicContact CE2-CD1 4.25Å; F30-I34 HydrophobicContact CZ-CD1 3.54Å; F30-I34 HydrophobicContact CZ-CG1 4.37Å; F30-I34 PolarHBondContact O-N 3.2Å; F30-I34 VanDerWaalsContact O-N 3.07Å; I31-I34 PolarHBondContact O-N 3.16Å; I34-K36 VanDerWaalsContact C-N 3.32Å; I34-K36 PolarHBondContact O-N 3.28Å; I34-E37 WeakPolarHBondContact O-CB 3.41Å; I34-E37 PolarHBondContact O-N 2.86Å; I34-R38 HydrophobicContact CG2-CG 4.49Å; I34-R38 WeakPolarHBondContact O-CG 3.4Å; I34-R38 PolarHBondContact O-N 3.29Å; I34-Y55 HydrophobicContact CB-CE2 4.28Å; I34-Y55 HydrophobicContact CD1-CE2 3.79Å; I34-Y55 HydrophobicContact CG2-CD2 4.39Å; I34-Y55 HydrophobicContact CG2-CE2 3.97Å; I34-V59 HydrophobicContact CG2-CB 4.41Å; I34-V59 HydrophobicContact CG2-CG1 3.94Å; I34-V59 HydrophobicContact CG2-CG2 3.54Å
35L92.4Very high88.5Confident0 Ų081.5 Ų81.50%042%0.415CS..Hα-helixtrans-63.3-38.2178.3-74176.2000112.3I31 Q32 L33 R38 N39 V40 T42 L54 V59I31-L35 HydrophobicContact CG2-CD1 3.88Å; I31-L35 HydrophobicContact CG2-CG 4.34Å; I31-L35 WeakPolarHBondContact O-CB 3.4Å; I31-L35 VanDerWaalsContact O-CG 3.28Å; I31-L35 WeakPolarHBondContact O-CG 3.24Å; I31-L35 PolarHBondContact O-N 2.98Å; Q32-L35 PolarHBondContact O-N 3.33Å; L33-L35 PolarHBondContact O-N 3.29Å; L35-R38 CarbonylContact O-C 3.47Å; L35-R38 PolarHBondContact O-N 3.43Å; L35-N39 PolarHBondContact O-N 3.02Å; L35-V40 HydrophobicContact CB-CB 4.25Å; L35-V40 HydrophobicContact CD2-CB 4.08Å; L35-V40 HydrophobicContact CD2-CG1 4.21Å; L35-V40 HydrophobicContact CD2-CG2 4.23Å; L35-V40 WeakPolarHBondContact O-CB 2.89Å; L35-V40 PolarHBondContact O-N 3.25Å; L35-T42 HydrophobicContact CB-CG2 3.72Å; L35-T42 HydrophobicContact CD1-CG2 3.78Å; L35-T42 HydrophobicContact CG-CG2 4.42Å; L35-L54 HydrophobicContact CD1-CB 3.87Å; L35-L54 HydrophobicContact CD1-CD1 4.49Å; L35-L54 HydrophobicContact CD2-CB 4.04Å; L35-V59 HydrophobicContact CD2-CG2 4.38Å
36K92.8Very high87.7Confident120 Ų12083.4 Ų83.452%0.52242%0.42SS..Hα-helixtrans-64.2-42.5174-74.7167.9-177.1167.80111.7Q32 L33 I34 R38 N39Q32-K36 WeakPolarHBondContact O-CB 3.43Å; Q32-K36 VanDerWaalsContact O-CG 3.24Å; Q32-K36 WeakPolarHBondContact O-CG 3.42Å; Q32-K36 PolarHBondContact O-N 3.28Å; L33-K36 PolarHBondContact O-N 3.08Å; I34-K36 VanDerWaalsContact C-N 3.32Å; I34-K36 PolarHBondContact O-N 3.28Å; K36-R38 VanDerWaalsContact C-N 3.25Å; K36-R38 PolarHBondContact O-N 3.27Å; K36-N39 PolarHBondContact O-N 3.27Å
37E93.3Very high87.8Confident144 Ų14487.6 Ų87.667%0.67344%0.443SS*.Hα-helixtrans-59.5-38.2174.5-171.9-173.3169.200111.5L33 I34 N39L33-E37 PolarHBondContact O-N 3.2Å; I34-E37 WeakPolarHBondContact O-CB 3.41Å; I34-E37 PolarHBondContact O-N 2.86Å; E37-N39 PolarHBondContact O-N 3.03Å
38R91Very high87.7Confident144 Ų14490 Ų9054%0.54344%0.441SS..THydrogen-bonded Turntrans-80.411.8175-62-61.4-174.31492114.3I34 L35 K36 V40 V59I34-R38 HydrophobicContact CG2-CG 4.49Å; I34-R38 WeakPolarHBondContact O-CG 3.4Å; I34-R38 PolarHBondContact O-N 3.29Å; L35-R38 CarbonylContact O-C 3.47Å; L35-R38 PolarHBondContact O-N 3.43Å; K36-R38 VanDerWaalsContact C-N 3.25Å; K36-R38 PolarHBondContact O-N 3.27Å; R38-V40 HydrophobicContact CB-CG2 4.2Å; R38-V40 PolarHBondContact O-N 3.29Å; R38-V59 HydrophobicContact CG-CG2 4.36Å
39N91.8Very high87.6Confident152 Ų15291.7 Ų91.781%0.81345%0.452SS*.THydrogen-bonded Turntrans54.729.9-177.7-56.4106.7000114.2L35 K36 E37L35-N39 PolarHBondContact O-N 3.02Å; K36-N39 PolarHBondContact O-N 3.27Å; E37-N39 PolarHBondContact O-N 3.03Å
40V91.4Very high87.6Confident22 Ų2292.3 Ų92.313%0.13345%0.446CS..  trans-92127.2174.9-177.30000109.4L35 R38 T42 L54 H58L35-V40 HydrophobicContact CB-CB 4.25Å; L35-V40 HydrophobicContact CD2-CB 4.08Å; L35-V40 HydrophobicContact CD2-CG1 4.21Å; L35-V40 HydrophobicContact CD2-CG2 4.23Å; L35-V40 WeakPolarHBondContact O-CB 2.89Å; L35-V40 PolarHBondContact O-N 3.25Å; R38-V40 HydrophobicContact CB-CG2 4.2Å; R38-V40 PolarHBondContact O-N 3.29Å; V40-T42 PolarHBondContact O-N 2.94Å; V40-L54 HydrophobicContact CG1-CD1 4.28Å; V40-L54 HydrophobicContact CG1-CD2 4.18Å; V40-H58 HydrophobicContact CG2-CB 3.98Å
41S86.8Confident87.6Confident104 Ų10488.7 Ų88.773%0.72743%0.43SS*.  trans-74.5115.5-178.461.30000111.8
42T85.6Confident87.6Confident16 Ų1688.8 Ų88.810%0.09843%0.43CS..  trans-98.9-0.5176.158.40000114.1L35 V40 A44 C45L35-T42 HydrophobicContact CB-CG2 3.72Å; L35-T42 HydrophobicContact CD1-CG2 3.78Å; L35-T42 HydrophobicContact CG-CG2 4.42Å; V40-T42 PolarHBondContact O-N 2.94Å; T42-A44 PolarHBondContact O-N 3.42Å; T42-C45 PolarHBondContact O-N 3.48Å; T42-C45 VanDerWaalsContact O-N 3.08Å
43R76Confident87.5Confident251 Ų25193 Ų9395%0.94745%0.45SS*.THydrogen-bonded Turntrans-56.3-17.9-171.2-79.4-166.4-157.4-1715.9116.6
44A69.1Low87.5Confident86 Ų8689.6 Ų89.671%0.71143%0.432SS*.THydrogen-bonded Turntrans-121.916-176.200000112.6T42 R50T42-A44 PolarHBondContact O-N 3.42Å; A44-R50 PolarHBondContact O-NH1 2.78Å
45C64Low87.5Confident8 Ų888.8 Ų88.85%0.05443%0.428CS..  trans-128.587.4-170.9-159.50000108.3T42 R50 L51T42-C45 PolarHBondContact O-N 3.48Å; T42-C45 VanDerWaalsContact O-N 3.08Å; C45-R50 VanDerWaalsContact SG-C 3.57Å; C45-R50 WeakPolarHBondContact SG-CB 3.25Å; C45-R50 WeakPolarHBondContact SG-CD 3.27Å; C45-R50 WeakPolarHBondContact SG-CG 3.44Å; C45-L51 HydrophobicContact CB-CD1 4.42Å; C45-L51 WeakPolarHBondContact O-CD1 3.35Å
46E75.2Confident87.4Confident167 Ų16792.8 Ų92.878%0.7845%0.449SS*.  trans-90-20.6174-62.2-177.3-177.800111.2Q28 R48Q28-E46 PolarHBondContact NE2-O 3.41Å; E46-R48 PolarHBondContact O-N 3.13Å
47D89.9Confident87.3Confident113 Ų11395.6 Ų95.660%0.60446%0.456SS*.  trans-69.6123179.4-64-19.5000111.3D49 R50 L51D47-D49 VanDerWaalsContact C-N 3.32Å; D47-D49 PolarHBondContact O-N 3.3Å; D47-R50 HydrophobicContact CB-CB 4.2Å; D47-R50 PolarHBondContact O-N 3.1Å; D47-R50 VanDerWaalsContact O-N 3.15Å; D47-L51 WeakPolarHBondContact O-CD1 3.46Å; D47-L51 PolarHBondContact O-N 2.9Å; D47-L51 VanDerWaalsContact O-N 3.12Å
48R91.2Very high87Confident121 Ų12192.4 Ų92.446%0.45744%0.441SS..Hα-helixtrans-52.8-48.1179.8-173.3170.368.885.415112.1E24 E46 R50 L51 T52E24-R48 IonicContact OE2-CZ 3.66Å; E24-R48 IonicContact OE2-NH1 3.97Å; E24-R48 PolarHBondContact OE2-NH1 3.44Å; E24-R48 IonicContact OE2-NH2 3.94Å; E46-R48 PolarHBondContact O-N 3.13Å; R48-R50 PolarHBondContact O-N 3.15Å; R48-L51 WeakPolarHBondContact O-CB 3.45Å; R48-L51 PolarHBondContact O-N 3.07Å; R48-L51 VanDerWaalsContact O-N 3.16Å; R48-T52 PolarHBondContact O-N 3.26Å; R48-T52 PolarHBondContact O-OG1 3.1Å
49D91.4Very high87Confident109 Ų10986.8 Ų86.858%0.58342%0.423SS*.Hα-helixtrans-60.7-36.8-176.9-59.8-10.8000111.9D47 T52 E53D47-D49 VanDerWaalsContact C-N 3.32Å; D47-D49 PolarHBondContact O-N 3.3Å; D49-T52 PolarHBondContact O-N 3.31Å; D49-E53 PolarHBondContact O-N 3.43Å
50R92.8Very high86.7Confident133 Ų13381.8 Ų81.850%0.50240%0.396SS..Hα-helixtrans-79.5-27.6-178.5-166.3179.2178.5-145.91.4112.2A44 C45 D47 R48 L54A44-R50 PolarHBondContact O-NH1 2.78Å; C45-R50 VanDerWaalsContact SG-C 3.57Å; C45-R50 WeakPolarHBondContact SG-CB 3.25Å; C45-R50 WeakPolarHBondContact SG-CD 3.27Å; C45-R50 WeakPolarHBondContact SG-CG 3.44Å; D47-R50 HydrophobicContact CB-CB 4.2Å; D47-R50 PolarHBondContact O-N 3.1Å; D47-R50 VanDerWaalsContact O-N 3.15Å; R48-R50 PolarHBondContact O-N 3.15Å; R50-L54 WeakPolarHBondContact O-CG 3.25Å; R50-L54 PolarHBondContact O-N 3.26Å
51L92.8Very high86.2Confident0 Ų085.3 Ų85.30%042%0.419CS..Hα-helixtrans-63.1-46.6163.8-89.391.5000111.3Q28 I31 Q32 C45 D47 R48 E53 L54 Y55Q28-L51 HydrophobicContact CG-CD2 3.89Å; I31-L51 HydrophobicContact CB-CD2 4.13Å; I31-L51 HydrophobicContact CG2-CB 3.86Å; I31-L51 HydrophobicContact CG2-CD2 3.96Å; I31-L51 HydrophobicContact CG2-CG 4.44Å; Q32-L51 HydrophobicContact CB-CD2 4.38Å; Q32-L51 HydrophobicContact CG-CD2 3.29Å; Q32-L51 HydrophobicContact CG-CG 4.48Å; C45-L51 HydrophobicContact CB-CD1 4.42Å; C45-L51 WeakPolarHBondContact O-CD1 3.35Å; D47-L51 WeakPolarHBondContact O-CD1 3.46Å; D47-L51 PolarHBondContact O-N 2.9Å; D47-L51 VanDerWaalsContact O-N 3.12Å; R48-L51 WeakPolarHBondContact O-CB 3.45Å; R48-L51 PolarHBondContact O-N 3.07Å; R48-L51 VanDerWaalsContact O-N 3.16Å; L51-E53 VanDerWaalsContact C-N 3.3Å; L51-E53 PolarHBondContact O-N 2.88Å; L51-L54 PolarHBondContact O-N 3.04Å; L51-Y55 PolarHBondContact O-N 3.39Å
52T92.5Very high85.7Confident3 Ų387.8 Ų87.82%0.01842%0.423CS..Hα-helixtrans-61.5-41.9179.1-50.60000111P23 E24 R48 D49 L54 Y55 L56P23-T52 HydrophobicContact CB-CG2 3.62Å; P23-T52 HydrophobicContact CG-CG2 3.43Å; P23-T52 VanDerWaalsContact CG-CG2 3.43Å; E24-T52 HydrophobicContact CG-CG2 4.33Å; E24-T52 VanDerWaalsContact OE1-CB 3.25Å; E24-T52 WeakPolarHBondContact OE1-CB 3.35Å; E24-T52 WeakPolarHBondContact OE1-CG2 3.47Å; E24-T52 PolarHBondContact OE1-OG1 3.34Å; E24-T52 VanDerWaalsContact OE1-OG1 3.1Å; R48-T52 PolarHBondContact O-N 3.26Å; R48-T52 PolarHBondContact O-OG1 3.1Å; D49-T52 PolarHBondContact O-N 3.31Å; T52-L54 VanDerWaalsContact C-N 3.34Å; T52-L54 PolarHBondContact O-N 3.23Å; T52-Y55 WeakPolarHBondContact O-CB 3.46Å; T52-Y55 PolarHBondContact O-N 3.23Å; T52-Y55 VanDerWaalsContact O-N 3.12Å; T52-L56 HydrophobicContact CG2-CD1 4.33Å; T52-L56 HydrophobicContact CG2-CG 4.39Å; T52-L56 WeakPolarHBondContact O-CG 3.21Å; T52-L56 PolarHBondContact O-N 3.07Å
53E91.9Very high84.8Confident133 Ų13393.2 Ų93.262%0.62146%0.459SS*.Hα-helixtrans-59.4-44.7176.8-169.5-175.9-176.600111.9D49 L51 Y55 L56 R57D49-E53 PolarHBondContact O-N 3.43Å; L51-E53 VanDerWaalsContact C-N 3.3Å; L51-E53 PolarHBondContact O-N 2.88Å; E53-Y55 VanDerWaalsContact C-N 3.32Å; E53-Y55 PolarHBondContact O-N 2.79Å; E53-L56 PolarHBondContact O-N 3.21Å; E53-R57 PolarHBondContact O-N 3.39Å; E53-R57 VanDerWaalsContact O-N 3.1Å
54L92.5Very high84.8Confident38 Ų3887.3 Ų87.320%0.19944%0.442CS..Hα-helixtrans-62.4-40.8174.5-73.6173.1000111.7L35 V40 R50 L51 T52 R57 H58L35-L54 HydrophobicContact CD1-CB 3.87Å; L35-L54 HydrophobicContact CD1-CD1 4.49Å; L35-L54 HydrophobicContact CD2-CB 4.04Å; V40-L54 HydrophobicContact CG1-CD1 4.28Å; V40-L54 HydrophobicContact CG1-CD2 4.18Å; R50-L54 WeakPolarHBondContact O-CG 3.25Å; R50-L54 PolarHBondContact O-N 3.26Å; L51-L54 PolarHBondContact O-N 3.04Å; T52-L54 VanDerWaalsContact C-N 3.34Å; T52-L54 PolarHBondContact O-N 3.23Å; L54-R57 PolarHBondContact O-N 2.98Å; L54-H58 WeakPolarHBondContact O-CB 3.46Å; L54-H58 PolarHBondContact O-CD2 3.12Å; L54-H58 VanDerWaalsContact O-CD2 3.23Å; L54-H58 PolarHBondContact O-N 3.47Å
55Y92.9Very high85.3Confident0 Ų093.1 Ų93.10%045%0.445CS..Hα-helixtrans-60-51.2176.8-176-81.1000111.3L20 P23 L26 I31 I34 L51 T52 E53 R57 H58 V59 I60L20-Y55 WeakPolarHBondContact CD2-OH 3.35Å; L20-Y55 WeakPolarHBondContact O-CE1 3.46Å; L20-Y55 PolarHBondContact O-OH 3.31Å; P23-Y55 HydrophobicContact CB-CD1 3.51Å; P23-Y55 HydrophobicContact CB-CE1 3.86Å; P23-Y55 HydrophobicContact CB-CG 4.02Å; P23-Y55 HydrophobicContact CG-CD1 3.89Å; P23-Y55 HydrophobicContact CG-CE1 4.29Å; L26-Y55 HydrophobicContact CD1-CE2 4.06Å; I31-Y55 HydrophobicContact CG2-CD2 4.04Å; I31-Y55 HydrophobicContact CG2-CG 4.39Å; I34-Y55 HydrophobicContact CB-CE2 4.28Å; I34-Y55 HydrophobicContact CD1-CE2 3.79Å; I34-Y55 HydrophobicContact CG2-CD2 4.39Å; I34-Y55 HydrophobicContact CG2-CE2 3.97Å; L51-Y55 PolarHBondContact O-N 3.39Å; T52-Y55 WeakPolarHBondContact O-CB 3.46Å; T52-Y55 PolarHBondContact O-N 3.23Å; T52-Y55 VanDerWaalsContact O-N 3.12Å; E53-Y55 VanDerWaalsContact C-N 3.32Å; E53-Y55 PolarHBondContact O-N 2.79Å; Y55-R57 PolarHBondContact O-N 2.94Å; Y55-H58 PolarHBondContact O-N 3.06Å; Y55-V59 HydrophobicContact CD1-CB 4.06Å; Y55-V59 HydrophobicContact CD1-CG2 4.49Å; Y55-V59 HydrophobicContact CD2-CB 4Å; Y55-V59 HydrophobicContact CD2-CG1 4.32Å; Y55-V59 HydrophobicContact CD2-CG2 3.65Å; Y55-V59 HydrophobicContact CE1-CB 3.95Å; Y55-V59 HydrophobicContact CE1-CG1 3.98Å; Y55-V59 HydrophobicContact CE2-CB 3.9Å; Y55-V59 HydrophobicContact CE2-CG1 3.71Å; Y55-V59 HydrophobicContact CE2-CG2 3.86Å; Y55-V59 HydrophobicContact CG-CB 4.09Å; Y55-V59 HydrophobicContact CG-CG2 4.01Å; Y55-V59 WeakPolarHBondContact O-CA 3.37Å; Y55-V59 VanDerWaalsContact O-CB 3.27Å; Y55-V59 WeakPolarHBondContact O-CB 3.42Å; Y55-V59 PolarHBondContact O-N 3.03Å; Y55-I60 HydrophobicContact CD1-CD1 4.3Å; Y55-I60 HydrophobicContact CD1-CG1 4.19Å; Y55-I60 HydrophobicContact CE1-CD1 3.86Å; Y55-I60 HydrophobicContact CE1-CG1 3.75Å
56L91.2Very high86.3Confident84 Ų8498.7 Ų98.744%0.4448%0.479SS..Hα-helixtrans-57-40.6178.7-70.8173.8000111.6P23 T52 E53 I60P23-L56 HydrophobicContact CG-CD2 3.63Å; P23-L56 HydrophobicContact CG-CG 4Å; T52-L56 HydrophobicContact CG2-CD1 4.33Å; T52-L56 HydrophobicContact CG2-CG 4.39Å; T52-L56 WeakPolarHBondContact O-CG 3.21Å; T52-L56 PolarHBondContact O-N 3.07Å; E53-L56 PolarHBondContact O-N 3.21Å; L56-I60 HydrophobicContact CD2-CD1 3.87Å; L56-I60 CarbonylContact O-C 3.54Å
57R88.9Confident86.9Confident179 Ų17993.3 Ų93.368%0.67546%0.456SS*.Hα-helixtrans-70.2-38.8-178.9-174.1177.2-178.9172-0.9113.7E53 L54 Y55E53-R57 PolarHBondContact O-N 3.39Å; E53-R57 VanDerWaalsContact O-N 3.1Å; L54-R57 PolarHBondContact O-N 2.98Å; Y55-R57 PolarHBondContact O-N 2.94Å
58H88.5Confident86.9Confident77 Ų7790.5 Ų90.536%0.35644%0.444SS..Hα-helixtrans-107.4-28.5-167.3-68.3-70.5000114.4V40 L54 Y55V40-H58 HydrophobicContact CG2-CB 3.98Å; L54-H58 WeakPolarHBondContact O-CB 3.46Å; L54-H58 PolarHBondContact O-CD2 3.12Å; L54-H58 VanDerWaalsContact O-CD2 3.23Å; L54-H58 PolarHBondContact O-N 3.47Å; Y55-H58 PolarHBondContact O-N 3.06Å
59V89.5Confident86.9Confident27 Ų2791.3 Ų91.316%0.16446%0.457CS..THydrogen-bonded Turntrans-100.5-32.2-175.6-173.30000111.8I34 L35 R38 Y55 P61I34-V59 HydrophobicContact CG2-CB 4.41Å; I34-V59 HydrophobicContact CG2-CG1 3.94Å; I34-V59 HydrophobicContact CG2-CG2 3.54Å; L35-V59 HydrophobicContact CD2-CG2 4.38Å; R38-V59 HydrophobicContact CG-CG2 4.36Å; Y55-V59 HydrophobicContact CD1-CB 4.06Å; Y55-V59 HydrophobicContact CD1-CG2 4.49Å; Y55-V59 HydrophobicContact CD2-CB 4Å; Y55-V59 HydrophobicContact CD2-CG1 4.32Å; Y55-V59 HydrophobicContact CD2-CG2 3.65Å; Y55-V59 HydrophobicContact CE1-CB 3.95Å; Y55-V59 HydrophobicContact CE1-CG1 3.98Å; Y55-V59 HydrophobicContact CE2-CB 3.9Å; Y55-V59 HydrophobicContact CE2-CG1 3.71Å; Y55-V59 HydrophobicContact CE2-CG2 3.86Å; Y55-V59 HydrophobicContact CG-CB 4.09Å; Y55-V59 HydrophobicContact CG-CG2 4.01Å; Y55-V59 WeakPolarHBondContact O-CA 3.37Å; Y55-V59 VanDerWaalsContact O-CB 3.27Å; Y55-V59 WeakPolarHBondContact O-CB 3.42Å; Y55-V59 PolarHBondContact O-N 3.03Å; V59-P61 WeakPolarHBondContact O-CD 3.48Å
60I86.3Confident87Confident46 Ų4689.5 Ų89.524%0.23645%0.448CS..SBendtrans-111.974.1175.3-43.7-176.8000109.9L20 L21 Y55 L56 L62L20-I60 VanDerWaalsContact O-CD1 3.23Å; L20-I60 WeakPolarHBondContact O-CD1 3.23Å; L21-I60 HydrophobicContact CD2-CG2 4.48Å; Y55-I60 HydrophobicContact CD1-CD1 4.3Å; Y55-I60 HydrophobicContact CD1-CG1 4.19Å; Y55-I60 HydrophobicContact CE1-CD1 3.86Å; Y55-I60 HydrophobicContact CE1-CG1 3.75Å; L56-I60 HydrophobicContact CD2-CD1 3.87Å; L56-I60 CarbonylContact O-C 3.54Å; I60-L62 PolarHBondContact O-N 3.24Å; I60-L62 VanDerWaalsContact O-N 3.14Å
61P80.1Confident87Confident97 Ų9793.1 Ų93.163%0.6346%0.461SS*.  trans-57.7126.6176-712.1000109.9V59V59-P61 WeakPolarHBondContact O-CD 3.48Å
62L77.3Confident86.9Confident155 Ų155100.1 Ų100.181%0.81249%0.488SS*.  trans-53.9132.3173.1-76.3134.9000109I60 Q64I60-L62 PolarHBondContact O-N 3.24Å; I60-L62 VanDerWaalsContact O-N 3.14Å; L62-Q64 PolarHBondContact O-N 3.29Å
63P66.8Low87Confident130 Ų130100 Ų10084%0.84449%0.487SS*.  trans-55.4107.3175.119.6-29.9000109.1R65P63-R65 PolarHBondContact O-N 3.45Å
64Q76.2Confident86.9Confident128 Ų12899.3 Ų99.360%0.59848%0.479SS*.  trans-80.195.2-175.3175.5142.8-19.800107.8L62 T66 R80L62-Q64 PolarHBondContact O-N 3.29Å; Q64-T66 PolarHBondContact O-N 3.47Å; Q64-T66 VanDerWaalsContact O-N 3.09Å; Q64-R80 VanDerWaalsContact CD-NH2 3.33Å
65R78.8Confident86.9Confident207 Ų207101.4 Ų101.478%0.78149%0.494SS*.PPolyproline II helixtrans-48.2122.4176.3-176.4176.5161.5117.2-1.7109.5P63 L67P63-R65 PolarHBondContact O-N 3.45Å; R65-L67 PolarHBondContact O-N 2.91Å
66T85.7Confident86.7Confident125 Ų125105.2 Ų105.277%0.76751%0.512SS*.PPolyproline II helixtrans-63.1124.1174.950.60000107.7Q64Q64-T66 PolarHBondContact O-N 3.47Å; Q64-T66 VanDerWaalsContact O-N 3.09Å
67L88.1Confident86.6Confident54 Ų54107.7 Ų107.728%0.28352%0.522SS..PPolyproline II helixtrans-71.1137.7175.2-70.8167.3000107.7R65 W72 M76 Q77R65-L67 PolarHBondContact O-N 2.91Å; L67-W72 HydrophobicContact CD2-CE3 4.47Å; L67-W72 HydrophobicContact CD2-CH2 4.26Å; L67-W72 HydrophobicContact CD2-CZ3 3.73Å; L67-M76 HydrophobicContact CD1-CB 3.64Å; L67-M76 HydrophobicContact CD2-CB 4.02Å; L67-M76 HydrophobicContact CG-CB 4.48Å; L67-Q77 HydrophobicContact CD1-CB 4.01Å
68P89.6Confident86.5Confident55 Ų55107.1 Ų107.136%0.35752%0.524SS..PPolyproline II helixtrans-62.7149176.425.8-33.2000110.6N70 W72 G73P68-N70 PolarHBondContact O-N 3.2Å; P68-W72 HydrophobicContact CG-CE3 4.38Å; P68-G73 WeakPolarHBondContact O-CA 3.33Å
69D91Very high86.1Confident137 Ų137105.9 Ų105.973%0.73352%0.524SS*.SBendtrans-77.955.9178.2-172.124.1000112.7R74D69-R74 PolarHBondContact O-NH1 3.01Å; D69-R74 IonicContact OD1-CZ 2.78Å; D69-R74 IonicContact OD1-NH1 3.82Å; D69-R74 PolarHBondContact OD1-NH1 3.15Å; D69-R74 IonicContact OD2-NH1 2.74Å
70N93.8Very high85.3Confident72 Ų72110.1 Ų110.139%0.38554%0.537SS..SBendtrans-118.7173.917367.117000110.3P68 W72 G73 R74P68-N70 PolarHBondContact O-N 3.2Å; N70-W72 PolarHBondContact O-N 3.35Å; N70-W72 VanDerWaalsContact O-N 3.15Å; N70-W72 WeakPolarHBondContact OD1-CB 3.31Å; N70-W72 PolarHBondContact OD1-N 3.28Å; N70-G73 PolarHBondContact O-N 2.86Å; N70-G73 VanDerWaalsContact O-N 3.15Å; N70-G73 PolarHBondContact OD1-N 3.14Å; N70-R74 PolarHBondContact O-N 3.33Å
71R93.3Very high84.2Confident209 Ų209111.1 Ų111.179%0.78956%0.559SS**Hα-helixtrans-55.2-34.8-179.9-172.9173177.4-107.90.9112.4T75R71-T75 WeakPolarHBondContact O-CB 3.4Å; R71-T75 PolarHBondContact O-N 3.35Å; R71-T75 PolarHBondContact O-OG1 3.5Å
72W90.4Very high83.2Confident146 Ų146117 Ų11755%0.55357%0.568SS**Hα-helixtrans-69.5-47.9177.4-17786.2000111.8L67 P68 N70 R74 T75 M76L67-W72 HydrophobicContact CD2-CE3 4.47Å; L67-W72 HydrophobicContact CD2-CH2 4.26Å; L67-W72 HydrophobicContact CD2-CZ3 3.73Å; P68-W72 HydrophobicContact CG-CE3 4.38Å; N70-W72 PolarHBondContact O-N 3.35Å; N70-W72 VanDerWaalsContact O-N 3.15Å; N70-W72 WeakPolarHBondContact OD1-CB 3.31Å; N70-W72 PolarHBondContact OD1-N 3.28Å; W72-R74 PolarHBondContact O-N 3.42Å; W72-T75 PolarHBondContact O-N 2.74Å; W72-M76 HydrophobicContact CD2-CG 4.04Å; W72-M76 HydrophobicContact CE3-CG 4.34Å; W72-M76 HydrophobicContact CH2-CG 4.23Å; W72-M76 HydrophobicContact CZ2-CE 3.81Å; W72-M76 HydrophobicContact CZ2-CG 3.92Å; W72-M76 HydrophobicContact CZ3-CG 4.43Å; W72-M76 WeakPolarHBondContact O-CB 3.11Å; W72-M76 WeakPolarHBondContact O-CG 3.19Å; W72-M76 PolarHBondContact O-N 3.32Å
73G93.5Very high82.3Confident1 Ų1117.6 Ų117.61%0.0157%0.567CS.*Hα-helixtrans-63.8-41.6177.400000112.8P68 N70 T75 M76 Q77P68-G73 WeakPolarHBondContact O-CA 3.33Å; N70-G73 PolarHBondContact O-N 2.86Å; N70-G73 VanDerWaalsContact O-N 3.15Å; N70-G73 PolarHBondContact OD1-N 3.14Å; G73-T75 VanDerWaalsContact C-N 3.32Å; G73-T75 PolarHBondContact O-N 3.26Å; G73-M76 PolarHBondContact O-N 2.85Å; G73-Q77 WeakPolarHBondContact O-CB 3.43Å; G73-Q77 PolarHBondContact O-N 2.92Å
74R91.5Very high81.6Confident118 Ų118116.8 Ų116.845%0.44556%0.56SS.*Hα-helixtrans-63.7-36.2173.6-68.8-165-70.4-91.46.9112.6D69 N70 W72 K78D69-R74 PolarHBondContact O-NH1 3.01Å; D69-R74 IonicContact OD1-CZ 2.78Å; D69-R74 IonicContact OD1-NH1 3.82Å; D69-R74 PolarHBondContact OD1-NH1 3.15Å; D69-R74 IonicContact OD2-NH1 2.74Å; N70-R74 PolarHBondContact O-N 3.33Å; W72-R74 PolarHBondContact O-N 3.42Å; R74-K78 WeakPolarHBondContact O-CD 3.35Å; R74-K78 WeakPolarHBondContact O-CG 3.38Å; R74-K78 PolarHBondContact O-N 3.25Å
75T91.6Very high80.2Confident83 Ų83114.8 Ų114.851%0.50957%0.565SS.*Hα-helixtrans-69.7-44.6175.9-56.80000111R71 W72 G73 Q77 K78 S79R71-T75 WeakPolarHBondContact O-CB 3.4Å; R71-T75 PolarHBondContact O-N 3.35Å; R71-T75 PolarHBondContact O-OG1 3.5Å; W72-T75 PolarHBondContact O-N 2.74Å; G73-T75 VanDerWaalsContact C-N 3.32Å; G73-T75 PolarHBondContact O-N 3.26Å; T75-Q77 PolarHBondContact O-N 2.67Å; T75-K78 PolarHBondContact O-N 3.2Å; T75-S79 PolarHBondContact O-N 3.06Å; T75-S79 PolarHBondContact O-OG 3.41Å
76M88.8Confident78.9Confident79 Ų79110.3 Ų110.339%0.38957%0.573SS.*Hα-helixtrans-65.1-36.1177.9-76.8-64.6176.600112.9L67 W72 G73 S79 R80L67-M76 HydrophobicContact CD1-CB 3.64Å; L67-M76 HydrophobicContact CD2-CB 4.02Å; L67-M76 HydrophobicContact CG-CB 4.48Å; W72-M76 HydrophobicContact CD2-CG 4.04Å; W72-M76 HydrophobicContact CE3-CG 4.34Å; W72-M76 HydrophobicContact CH2-CG 4.23Å; W72-M76 HydrophobicContact CZ2-CE 3.81Å; W72-M76 HydrophobicContact CZ2-CG 3.92Å; W72-M76 HydrophobicContact CZ3-CG 4.43Å; W72-M76 WeakPolarHBondContact O-CB 3.11Å; W72-M76 WeakPolarHBondContact O-CG 3.19Å; W72-M76 PolarHBondContact O-N 3.32Å; G73-M76 PolarHBondContact O-N 2.85Å; M76-S79 WeakPolarHBondContact CA-OG 3.48Å; M76-S79 PolarHBondContact O-N 3.32Å; M76-S79 PolarHBondContact O-OG 2.82Å; M76-R80 PolarHBondContact O-N 3.38Å
77Q88.5Confident76.9Confident137 Ų137107.5 Ų107.564%0.6457%0.569SS**Hα-helixtrans-64.2-41.6175.9-173.8174.3-2.900111.3L67 G73 T75 S79 R80L67-Q77 HydrophobicContact CD1-CB 4.01Å; G73-Q77 WeakPolarHBondContact O-CB 3.43Å; G73-Q77 PolarHBondContact O-N 2.92Å; T75-Q77 PolarHBondContact O-N 2.67Å; Q77-S79 VanDerWaalsContact C-N 3.32Å; Q77-S79 PolarHBondContact O-N 3.05Å; Q77-R80 PolarHBondContact O-N 3.47Å
78K86.5Confident75.1Confident166 Ų166114.2 Ų114.272%0.72260%0.598SS**Hα-helixtrans-63.7-34.4177.1-69.1166.2-178.4-170.60112.7R74 T75R74-K78 WeakPolarHBondContact O-CD 3.35Å; R74-K78 WeakPolarHBondContact O-CG 3.38Å; R74-K78 PolarHBondContact O-N 3.25Å; T75-K78 PolarHBondContact O-N 3.2Å
79S80.5Confident73.2Confident51 Ų51116.8 Ų116.836%0.35762%0.617SS.*Hα-helixtrans-79.6-19.4178.2520000114.1T75 M76 Q77 R82T75-S79 PolarHBondContact O-N 3.06Å; T75-S79 PolarHBondContact O-OG 3.41Å; M76-S79 WeakPolarHBondContact CA-OG 3.48Å; M76-S79 PolarHBondContact O-N 3.32Å; M76-S79 PolarHBondContact O-OG 2.82Å; Q77-S79 VanDerWaalsContact C-N 3.32Å; Q77-S79 PolarHBondContact O-N 3.05Å; S79-R82 PolarHBondContact O-N 3.09Å
80R73.7Confident71.5Confident116 Ų116115.4 Ų115.444%0.43862%0.619SS.*Hα-helixtrans-71.8-33.9-170.4-153.3173.4-179.2174.3-3.4114.2Q64 M76 Q77 R82Q64-R80 VanDerWaalsContact CD-NH2 3.33Å; M76-R80 PolarHBondContact O-N 3.38Å; Q77-R80 PolarHBondContact O-N 3.47Å; R80-R82 PolarHBondContact O-N 3.2Å
81G62.5Low69.3Low67 Ų67116.8 Ų116.869%0.69163%0.632SS**THydrogen-bonded Turntrans-76-8.1176.300000114.5
82R58.8Low67.6Low221 Ų221110.9 Ų110.983%0.83462%0.616SS**THydrogen-bonded Turntrans-91-9.4-176.2-111.8-177.9179.2-85.61.2114.4S79 R80S79-R82 PolarHBondContact O-N 3.09Å; R80-R82 PolarHBondContact O-N 3.2Å
83Q58Low65.9Low168 Ų168107.7 Ų107.779%0.78561%0.61SS**SBendtrans-93.8-7.7-174.4-66.5-165.312.100114.5
84T53.5Low64.6Low112 Ų112114.7 Ų114.769%0.68764%0.643SS**SBendtrans-110.774.5178.459.10000111.4
85A45.4Very low63.2Low86 Ų86116.6 Ų116.671%0.71166%0.657SS**SBendtrans-170.2134.814700000106.1G87A85-G87 PolarHBondContact O-N 3.26Å
86A52.2Low62Low114 Ų114120.8 Ų120.894%0.94266%0.663SS**  trans-40.2130.417800000112.4
87G44.4Very low61.3Low66 Ų66127.1 Ų127.168%0.6869%0.688SS**  trans160.689.3174.500000111.2A85 S89A85-G87 PolarHBondContact O-N 3.26Å; G87-S89 PolarHBondContact O-N 3.42Å
88H50.7Low60.4Low194 Ų194130.9 Ų130.990%0.89870%0.697SS**  trans-46.2106.8160.4-65.1156.6000108.8S90H88-S90 PolarHBondContact O-N 3.48Å
89S49Very low59.9Low109 Ų109128.5 Ų128.576%0.76270%0.698SS**  trans-74.687.2157.143.60000105.4G87 C91G87-S89 PolarHBondContact O-N 3.42Å; S89-C91 PolarHBondContact O-N 3.46Å
90S56Low59.6Low109 Ų109133.5 Ų133.576%0.76272%0.72SS**  trans-61.278.4156.1179.90000106.3H88 N92H88-S90 PolarHBondContact O-N 3.48Å; S90-N92 PolarHBondContact O-N 3.32Å; S90-N92 VanDerWaalsContact O-N 3.08Å
91C47.6Very low59.6Low100 Ų100135.2 Ų135.268%0.67674%0.736SS**  trans-71.2104.5172.3-1740000104.8S89 D93S89-C91 PolarHBondContact O-N 3.46Å; C91-D93 PolarHBondContact O-N 3.5Å
92N56.8Low60.2Low85 Ų85137.2 Ų137.246%0.45574%0.735SS.*  trans-61.9102.4-176.5-155.3-6.8000108.8S90 Q94S90-N92 PolarHBondContact O-N 3.32Å; S90-N92 VanDerWaalsContact O-N 3.08Å; N92-Q94 PolarHBondContact ND2-OE1 3.2Å; N92-Q94 PolarHBondContact O-N 2.8Å; N92-Q94 WeakPolarHBondContact OD1-CG 3.48Å; N92-Q94 PolarHBondContact OD1-NE2 3.15Å; N92-Q94 PolarHBondContact OD1-OE1 3.15Å
93D54.4Low60.5Low79 Ų79136 Ų13642%0.42274%0.736SS.*  trans-82.935-167.3-153.624.2000112.8C91 H95 R96C91-D93 PolarHBondContact O-N 3.5Å; D93-H95 VanDerWaalsContact C-N 3.3Å; D93-H95 PolarHBondContact O-N 3.01Å; D93-R96 VanDerWaalsContact CG-NE 3.31Å; D93-R96 WeakPolarHBondContact OD1-CD 3.46Å; D93-R96 WeakPolarHBondContact OD1-CG 3.39Å; D93-R96 IonicContact OD1-CZ 3.17Å; D93-R96 IonicContact OD1-NE 2.65Å; D93-R96 PolarHBondContact OD1-NE 3.13Å; D93-R96 IonicContact OD1-NH1 3.71Å; D93-R96 IonicContact OD1-NH2 3.79Å; D93-R96 WeakPolarHBondContact OD2-CD 3.41Å; D93-R96 IonicContact OD2-CZ 3.13Å; D93-R96 IonicContact OD2-NE 3.2Å; D93-R96 PolarHBondContact OD2-NE 3.27Å; D93-R96 IonicContact OD2-NH1 2.79Å; D93-R96 PolarHBondContact OD2-NH1 3.29Å
94Q65.4Low60.8Low148 Ų148133.8 Ų133.869%0.69273%0.73SS**THydrogen-bonded Turntrans-86.7-0.3-172-71.7160.8-11.400113N92N92-Q94 PolarHBondContact ND2-OE1 3.2Å; N92-Q94 PolarHBondContact O-N 2.8Å; N92-Q94 WeakPolarHBondContact OD1-CG 3.48Å; N92-Q94 PolarHBondContact OD1-NE2 3.15Å; N92-Q94 PolarHBondContact OD1-OE1 3.15Å
95H62.8Low61.1Low159 Ų159132.2 Ų132.274%0.73674%0.736SS**THydrogen-bonded Turntrans-107.5-1.6179.2-27.5-65.9000113.2D93 K97D93-H95 VanDerWaalsContact C-N 3.3Å; D93-H95 PolarHBondContact O-N 3.01Å; H95-K97 PolarHBondContact O-N 2.69Å
96R67.5Low61.5Low171 Ų171137 Ų13765%0.64574%0.74SS**  trans-72.5120.7176-74.6-171.4-167.1167.8-7.9108.7D93 R98D93-R96 VanDerWaalsContact CG-NE 3.31Å; D93-R96 WeakPolarHBondContact OD1-CD 3.46Å; D93-R96 WeakPolarHBondContact OD1-CG 3.39Å; D93-R96 IonicContact OD1-CZ 3.17Å; D93-R96 IonicContact OD1-NE 2.65Å; D93-R96 PolarHBondContact OD1-NE 3.13Å; D93-R96 IonicContact OD1-NH1 3.71Å; D93-R96 IonicContact OD1-NH2 3.79Å; D93-R96 WeakPolarHBondContact OD2-CD 3.41Å; D93-R96 IonicContact OD2-CZ 3.13Å; D93-R96 IonicContact OD2-NE 3.2Å; D93-R96 PolarHBondContact OD2-NE 3.27Å; D93-R96 IonicContact OD2-NH1 2.79Å; D93-R96 PolarHBondContact OD2-NH1 3.29Å; R96-R98 PolarHBondContact O-N 2.81Å
97K72.6Confident61.5Low212 Ų212136.9 Ų136.992%0.92273%0.733SS**SBendtrans-59.75.7170.3-66.3-68-171.3-178.80113.8H95H95-K97 PolarHBondContact O-N 2.69Å
98R70.3Confident62Low216 Ų216139.6 Ų139.682%0.81574%0.741SS**SBendtrans-127.8118.8179.3-62.9-173.9-179.9-176.80108R96R96-R98 PolarHBondContact O-N 2.81Å
99P76.5Confident62.3Low116 Ų116139.1 Ų139.175%0.75374%0.739SS**  trans-65.2155177.727.4-33.5000111I101P99-I101 PolarHBondContact O-N 2.67Å; P99-I101 VanDerWaalsContact O-N 3.16Å
100L74.8Confident62.5Low156 Ų156140 Ų14082%0.81775%0.745SS**  trans-56.9116.2170.8-176.666.8000108.7V102L100-V102 HydrophobicContact CD2-CG2 4.02Å; L100-V102 HydrophobicContact CG-CG2 4.04Å; L100-V102 PolarHBondContact O-N 3.34Å
101I72.4Confident62.9Low151 Ų151137.4 Ų137.477%0.77474%0.737SS**  trans-74.797.7177.3-56.6174.2000107.1P99 F103P99-I101 PolarHBondContact O-N 2.67Å; P99-I101 VanDerWaalsContact O-N 3.16Å; I101-F103 HydrophobicContact CG2-CD2 4.37Å
102V75.1Confident63.3Low110 Ų110138.7 Ų138.767%0.66774%0.743SS**  trans-94.9116.8168.5-178.40000107.1L100L100-V102 HydrophobicContact CD2-CG2 4.02Å; L100-V102 HydrophobicContact CG-CG2 4.04Å; L100-V102 PolarHBondContact O-N 3.34Å
103F64.6Low63.3Low196 Ų196142 Ų14286%0.8676%0.761SS**  trans-87.7102.8171-122.9-92.5000107.5I101I101-F103 HydrophobicContact CG2-CD2 4.37Å
104D64.5Low63.6Low121 Ų121148.2 Ų148.265%0.64778%0.784SS**  trans-82.4116.616471.5-27.4000107.5K106D104-K106 PolarHBondContact O-N 2.84Å
105G59.8Low63.4Low79 Ų79146.9 Ų146.981%0.81479%0.785SS**SBendtrans-70.242.7-173.200000114.9
106K53.8Low63.4Low186 Ų186148.8 Ų148.881%0.80979%0.792SS**  trans-134.278.6179.4-63.4-175.1-177.8-177.80110.9D104D104-K106 PolarHBondContact O-N 2.84Å
107S52.9Low62.5Low111 Ų111147.7 Ų147.778%0.77679%0.791SS**  trans-15490.7160.7-169.60000111.5
108S54.2Low61.4Low124 Ų124143.5 Ų143.587%0.86779%0.786SS**  trans-91.182.2159.9-68.70000108.8
109Q57.6Low59.8Low183 Ų183140.3 Ų140.386%0.85578%0.78SS**  trans-177.184.4147.6-110.1164.9-26.400110.2G111Q109-G111 PolarHBondContact O-N 3.47Å
110S53.3Low58.4Low127 Ų127138.3 Ų138.389%0.88878%0.78SS**  trans-70.8107160.91760000108.1
111G63.8Low57Low56 Ų56136.5 Ų136.558%0.57778%0.776SS**  trans-70.6150.5171.600000111.5Q109 L113Q109-G111 PolarHBondContact O-N 3.47Å; G111-L113 PolarHBondContact O-N 2.98Å
112P56.6Low55.4Low126 Ų126139.1 Ų139.182%0.81878%0.782SS**  trans-65.9124.6-172.225.1-32.7000112.2K114P112-K114 PolarHBondContact O-N 2.96Å; P112-K114 VanDerWaalsContact O-N 3.13Å
113L57.4Low53.7Low156 Ų156137.3 Ų137.382%0.81779%0.786SS**  trans-61.6108172.9-168.879.6000109.5G111 V115G111-L113 PolarHBondContact O-N 2.98Å; L113-V115 HydrophobicContact CD2-CG2 4.13Å; L113-V115 HydrophobicContact CG-CG2 4.47Å; L113-V115 PolarHBondContact O-N 3.47Å
114K59.4Low52.5Low209 Ų209133.7 Ų133.791%0.90979%0.785SS**  trans-70.190.6174.4-79.9-172.2153.6173.90110.5P112P112-K114 PolarHBondContact O-N 2.96Å; P112-K114 VanDerWaalsContact O-N 3.13Å
115V62.6Low51.4Low120 Ų120132.7 Ų132.773%0.72779%0.794SS**PPolyproline II helixtrans-76.1125.6167.1-178.90000108.5L113 K117L113-V115 HydrophobicContact CD2-CG2 4.13Å; L113-V115 HydrophobicContact CG-CG2 4.47Å; L113-V115 PolarHBondContact O-N 3.47Å; V115-K117 PolarHBondContact O-N 2.82Å
116K61.1Low50.6Low199 Ų199132.4 Ų132.487%0.86579%0.79SS**PPolyproline II helixtrans-60.2119.8178.3-168.9-177.7178.8-179.20110
117K48.8Very low50.7Low148 Ų148130.1 Ų130.164%0.64379%0.791SS**PPolyproline II helixtrans-74.9128.4172.2-159.6-166.4178.6-1640109.4V115 E119V115-K117 PolarHBondContact O-N 2.82Å; K117-E119 IonicContact NZ-OE2 2.69Å; K117-E119 PolarHBondContact NZ-OE2 3.1Å
118P49.8Very low50.7Low123 Ų123130.9 Ų130.980%0.79979%0.792SS**  trans-83109.6150.829.2-26.5000107.9
119E37.6Very low50.6Low149 Ų149132.2 Ų132.270%0.69679%0.789SS**  trans-76.7124.8170.5-170.4136.8153.300109.4K117K117-E119 IonicContact NZ-OE2 2.69Å; K117-E119 PolarHBondContact NZ-OE2 3.1Å
120G46.8Very low50.6Low74 Ų74134.1 Ų134.176%0.76379%0.788SS**  trans-177.860.6-177.400000110.6
121T45.8Very low51.2Low118 Ų118136.3 Ų136.372%0.72479%0.789SS**  trans-55.5135.1173.7-61.70000112.7
122K37.7Very low51.4Low206 Ų206143.1 Ų143.190%0.89680%0.803SS**  trans-171.7120.4134.2-101.1172.6-167.5-172.60111.8
123G39.2Very low51.8Low73 Ų73142.3 Ų142.375%0.75380%0.798SS**  trans84.396.9160.700000115.3
124S39.3Very low52Low119 Ų119140.4 Ų140.483%0.83279%0.794SS**  84.7119.185.5-169.90000113.9
125A41.7Very low52.2Low101 Ų101136.5 Ų136.584%0.83579%0.79SS**  trans70.9135.1151.400000119.9
126G43.2Very low51.9Low72 Ų72134.6 Ų134.674%0.74279%0.787SS**  trans121.489.2153.500000115.4
127V56.4Low51.4Low138 Ų138129 Ų12984%0.83678%0.779SS**  trans-52.8148.8150.859.60000109.6
128T52.7Low51.8Low127 Ų127129.1 Ų129.178%0.77979%0.786SS**  trans78.790.6-175.985.10000115.1
129D52.4Low52.2Low152 Ų152129.6 Ų129.681%0.81378%0.781SS**  trans-150135.2137-160.615.1000111.3
130R57.9Low53Low224 Ų224128.2 Ų128.285%0.84579%0.785SS**  trans-60.5147.8-171.5-66.6162.2138.3-149.6-7109.8K132R130-K132 PolarHBondContact O-N 3.09Å; R130-K132 VanDerWaalsContact O-N 3.09Å
131L64.1Low53.4Low172 Ų172131 Ų13190%0.90178%0.783SS**  trans-34.8117.7175-60.6171.2000110.9P133L131-P133 WeakPolarHBondContact O-CD 3.43Å; L131-P133 VanDerWaalsContact O-N 3.15Å
132K68Low53.9Low199 Ų199131.1 Ų131.187%0.86579%0.786SS**PPolyproline II helixtrans-53.1122.1170.2-85.6171.4176.2169.70107.8R130R130-K132 PolarHBondContact O-N 3.09Å; R130-K132 VanDerWaalsContact O-N 3.09Å
133P66.7Low54.7Low110 Ų110127.4 Ų127.471%0.71477%0.774SS**PPolyproline II helixtrans-60.6152.5171.625.2-31.6000109.2L131L131-P133 WeakPolarHBondContact O-CD 3.43Å; L131-P133 VanDerWaalsContact O-N 3.15Å
134P60.7Low55.6Low115 Ų115134.9 Ų134.975%0.74778%0.779SS**PPolyproline II helixtrans-54.4139.1178.623.4-33.1000109.7A136P134-A136 PolarHBondContact O-N 2.95Å
135P63.2Low56.5Low127 Ų127138.4 Ų138.483%0.82578%0.78SS**  trans-58.4113.817922.8-31.4000108.9A137P135-A137 PolarHBondContact O-N 2.98Å
136A56.2Low57.3Low80 Ų80141.4 Ų141.466%0.66178%0.781SS**  trans-62.9103.417300000107.8P134 N138P134-A136 PolarHBondContact O-N 2.95Å; A136-N138 VanDerWaalsContact C-N 3.26Å; A136-N138 PolarHBondContact O-N 3.47Å; A136-N138 PolarHBondContact O-ND2 2.88Å
137A51.6Low57.2Low83 Ų83143.4 Ų143.469%0.68678%0.784SS**  trans-64.693.8165.800000107.1P135 L139P135-A137 PolarHBondContact O-N 2.98Å; A137-L139 HydrophobicContact CB-CD1 3.78Å; A137-L139 PolarHBondContact O-N 2.8Å
138N56.8Low56.8Low150 Ų150140.6 Ų140.680%0.80278%0.782SS**  trans-65.679.8169.2-68.8-65.8000108.4A136 P140A136-N138 VanDerWaalsContact C-N 3.26Å; A136-N138 PolarHBondContact O-N 3.47Å; A136-N138 PolarHBondContact O-ND2 2.88Å; N138-P140 WeakPolarHBondContact O-CD 3.41Å
139L59.4Low56.2Low133 Ų133141.3 Ų141.370%0.69679%0.787SS**  trans-71.9119.5158.5-81.474.7000105.8A137 N141A137-L139 HydrophobicContact CB-CD1 3.78Å; A137-L139 PolarHBondContact O-N 2.8Å; L139-N141 PolarHBondContact O-N 2.99Å
140P53.3Low55.9Low119 Ų119139.4 Ų139.477%0.77379%0.786SS**  trans-61.7118.2165.126.4-30.4000107.1N138 P142N138-P140 WeakPolarHBondContact O-CD 3.41Å; P140-P142 WeakPolarHBondContact O-CD 3.41Å; P140-P142 VanDerWaalsContact O-N 3.14Å
141N54.8Low54.8Low134 Ų134134.5 Ų134.572%0.71779%0.786SS**  trans-32.8115172.6-77.8-35.5000112L139 I143L139-N141 PolarHBondContact O-N 2.99Å; N141-I143 PolarHBondContact O-N 3.09Å
142P56.6Low53.8Low120 Ų120131.5 Ų131.578%0.77978%0.779SS**  trans-79.327.8169.634.2-34.9000111.4P140 R144P140-P142 WeakPolarHBondContact O-CD 3.41Å; P140-P142 VanDerWaalsContact O-N 3.14Å; P142-R144 PolarHBondContact O-N 3.14Å
143I55.5Low52.1Low128 Ų128127.9 Ų127.966%0.65678%0.779SS**  trans-78.884.3169.7-54.5177.7000106N141 K145N141-I143 PolarHBondContact O-N 3.09Å; I143-K145 PolarHBondContact O-N 3.27Å
144R58Low50.8Low229 Ų229127.8 Ų127.886%0.86478%0.781SS**  trans-55.899.7167.3-75.8-177.9-175.7150.60.8108.4P142 L146P142-R144 PolarHBondContact O-N 3.14Å; R144-L146 PolarHBondContact O-N 3.09Å
145K58.3Low49.7Very low193 Ų193127.9 Ų127.984%0.83978%0.784SS**  trans-72.3109.2166.5-66.7176.464179.70107.1I143I143-K145 PolarHBondContact O-N 3.27Å
146L56.9Low48.3Very low165 Ų165126.2 Ų126.286%0.86478%0.775SS**  trans-82.2114.2168-63.9177.4000107.8R144 G148R144-L146 PolarHBondContact O-N 3.09Å; L146-G148 PolarHBondContact O-N 3.42Å
147S42.4Very low47.7Very low114 Ų114128.3 Ų128.380%0.79778%0.78SS**  trans-59.1129.7171.5-61.40000109.9
148G47.8Very low46.9Very low78 Ų78133.1 Ų133.180%0.80479%0.788SS**  trans-71.5129.3174.700000111.2L146L146-G148 PolarHBondContact O-N 3.42Å
149T39.9Very low45.9Very low143 Ų143137 Ų13788%0.87779%0.791SS**  trans-100.9110.4161.153.50000108
150S45.3Very low44.8Very low112 Ų112136 Ų13678%0.78380%0.796SS**  trans-66133.2167.1380000111.1
151S36.3Very low43.8Very low121 Ų121135.3 Ų135.385%0.84679%0.794SS**  trans-163.6118.2143.3-75.70000109.8
152S41.6Very low43Very low109 Ų109137.3 Ų137.376%0.76280%0.799SS**  trans-48.3148.6167.846.10000114.9
153S32.6Very low42Very low123 Ų123138.1 Ų138.186%0.8680%0.802SS**  171.4159.4120.740.70000112.9
154S39.3Very low41Very low108 Ų108136.1 Ų136.176%0.75580%0.804SS**  trans-92.4174.3-152.6-46.10000115.4
155S37.1Very low40.1Very low116 Ų116132.4 Ų132.481%0.81180%0.802SS**  trans69.6126.4146.365.30000120.4
156S35.6Very low39.5Very low92 Ų92131 Ų13164%0.64380%0.802SS**  151.4126.9101.7-171.30000111.7
157T42.9Very low38.5Very low125 Ų125133 Ų13377%0.76780%0.804SS**  trans-54.5133.3165.238.10000113.2
158H34Very low38.8Very low184 Ų184138.3 Ų138.385%0.85281%0.807SS**  trans-139.3129.6151.6-79.9-80.1000112
159R35.6Very low38Very low230 Ų230142.1 Ų142.187%0.86881%0.809SS**  trans-94.8160179.4-86.3-107.4178.6-156.7-0.1110.5
160S36.2Very low37.9Very low114 Ų114140 Ų14080%0.79781%0.805SS**  trans74.6145.8156.6-52.60000115.1
161S33.8Very low37.5Very low103 Ų103138.5 Ų138.572%0.7281%0.808SS**  cis-164.3134.426.339.70000107.8
162E36.5Very low37.3Very low177 Ų177140.1 Ų140.183%0.82781%0.807SS**  63.6117.1103.5-158.5150.1-16700116.1
163T35.9Very low37.6Very low137 Ų137139.9 Ų139.984%0.8481%0.805SS**  166.3136.7128.540.40000114.3
164A35.4Very low37.7Very low86 Ų86137.2 Ų137.271%0.71180%0.797SS**  trans67.6102.613900000123.7
165N38.2Very low37.9Very low151 Ų151136.6 Ų136.681%0.80780%0.798SS**  37.6117.8121.4-67.5-65.3000122.8
166L45.3Very low38.3Very low163 Ų163139.2 Ų139.285%0.85380%0.802SS**  trans32109.8131.6-59.9172.3000120.6
167K37.4Very low38.5Very low206 Ų206144.3 Ų144.390%0.89681%0.813SS**  trans-153.9128.4141.8-155.491.5166.1-169.70111.2
168R48.3Very low38.7Very low227 Ų227143.8 Ų143.886%0.85782%0.815SS**  trans-78.4132.8173.4179.2-168.2-60.5154.8-0.2108.4
169D31.2Very low39.5Very low158 Ų158139.7 Ų139.785%0.84581%0.812SS**  trans-171.3158.7144.1-91.6-41.9000112.2
170A37.2Very low40Very low98 Ų98137.2 Ų137.281%0.8181%0.811SS**  trans-83.9148.5-154.300000116.4
171G36.9Very low41.2Very low81 Ų81137.4 Ų137.484%0.83581%0.807SS**  trans84.4104146.800000117.5
172D33.1Very low42.7Very low154 Ų154141.7 Ų141.782%0.82481%0.812SS**  -174.8148.2126.5-166.817.5000110.2
173S46.6Very low44.5Very low105 Ų105142.3 Ų142.373%0.73481%0.812SS**  trans-40.4133.3176.355.60000116.4
174G36.1Very low46.5Very low66 Ų66144.9 Ų144.968%0.6881%0.812SS**  trans-170.698.3174.200000112.6L176G174-L176 PolarHBondContact O-N 3.06Å; G174-L176 VanDerWaalsContact O-N 3.09Å
175A43Very low48.3Very low95 Ų95147.4 Ų147.479%0.78581%0.812SS**  trans-56.7107.9175.500000111.9K177A175-K177 PolarHBondContact O-N 3.23Å; A175-K177 VanDerWaalsContact O-N 3.14Å
176L45.7Very low50.1Low171 Ų171148.2 Ų148.290%0.89581%0.811SS**  trans-79.696170.4-64.7-179.8000109.4G174 S178G174-L176 PolarHBondContact O-N 3.06Å; G174-L176 VanDerWaalsContact O-N 3.09Å; L176-S178 PolarHBondContact O-N 2.96Å
177K39.7Very low51.5Low199 Ų199149 Ų14987%0.86581%0.81SS**  trans-60.4114.7168.1-64.1173179.2170.30108.5A175 A179A175-K177 PolarHBondContact O-N 3.23Å; A175-K177 VanDerWaalsContact O-N 3.14Å; K177-A179 PolarHBondContact O-N 3.34Å
178S46.3Very low53.4Low115 Ų115145.3 Ų145.380%0.80480%0.798SS**  trans-61.7129.1167.7-58.70000109.5L176 E180L176-S178 PolarHBondContact O-N 2.96Å; S178-E180 PolarHBondContact O-N 3.26Å
179A51.2Low55.1Low97 Ų97140.8 Ų140.880%0.80280%0.796SS**  trans-65101.7173.300000109.5K177 V181K177-A179 PolarHBondContact O-N 3.34Å; A179-V181 PolarHBondContact O-N 3.06Å; A179-V181 VanDerWaalsContact O-N 3.09Å
180E45Very low57Low179 Ų179143.4 Ų143.484%0.83680%0.795SS**  trans-7595.5175.4-173.4164.6-173.100109.5S178 K182S178-E180 PolarHBondContact O-N 3.26Å; E180-K182 PolarHBondContact O-N 2.89Å
181V62.1Low58.4Low118 Ų118147.9 Ų147.972%0.71582%0.815SS**  trans-70100.3168.7-178.60000107.5A179 K183A179-V181 PolarHBondContact O-N 3.06Å; A179-V181 VanDerWaalsContact O-N 3.09Å; V181-K183 PolarHBondContact O-N 3.02Å
182K65.1Low59.4Low193 Ų193151.2 Ų151.284%0.83981%0.814SS**  trans-60.698.3175.4-66.9178.296.8169.40109.3E180 K184E180-K182 PolarHBondContact O-N 2.89Å; K182-K184 PolarHBondContact O-N 3.33Å
183K75.1Confident60.8Low189 Ų189151.1 Ų151.182%0.82281%0.814SS**  trans-70.1114.8174.1-69.4179.5175.41760108.8V181 I185V181-K183 PolarHBondContact O-N 3.02Å; K183-I185 PolarHBondContact O-N 2.88Å
184K76.8Confident61.6Low192 Ų192153.6 Ų153.684%0.83582%0.818SS**  trans-62.1113.7169.2-179.3100.4172.2-170.80108K182 Q186K182-K184 PolarHBondContact O-N 3.33Å; K184-Q186 PolarHBondContact O-N 3.47Å
185I74.9Confident63.1Low139 Ų139158.8 Ų158.871%0.71383%0.826SS**PPolyproline II helixtrans-72.1118.3172.3-59.2173.2000106.9K183K183-I185 PolarHBondContact O-N 2.88Å
186Q75.9Confident64.4Low168 Ų168162.8 Ų162.879%0.78583%0.829SS**PPolyproline II helixtrans-79.1129.3171.6-66.3-170.922.400108.7K184K184-Q186 PolarHBondContact O-N 3.47Å
187H74.3Confident65.6Low178 Ų178162.2 Ų162.282%0.82482%0.824SS**PPolyproline II helixtrans-79.4118.2171.7-72.3-97.8000108.2
188I78.1Confident67.5Low129 Ų129159.6 Ų159.666%0.66282%0.821SS**PPolyproline II helixtrans-92.7120.7174.9-58.9168000107.2W190I188-W190 HydrophobicContact CG2-CZ2 4.41Å
189T83.4Confident69.1Low132 Ų132163 Ų16381%0.8182%0.823SS**PPolyproline II helixtrans-100.6126.6170.6-50.60000107.9
190W69.7Low70.6Confident214 Ų214168.5 Ų168.581%0.81182%0.824SS**PPolyproline II helixtrans-88146.7175.4-66.4102.7000110.9I188I188-W190 HydrophobicContact CG2-CZ2 4.41Å
191P66.6Low72.9Confident191 Ų191167.5 Ų167.5100%1.2482%0.823SS**  trans-72.70174.831.8-34.7000113.4

Retrieved 191 of 191 residues in 144.7 ms (Link to these results)